""	"NSC"	"NAME"	"SMILES"	"CONFIDENTIAL_FLAG"	"MOA"	"FDA_STATUS"	"TOTAL_EXPS"	"TOTAL_EXPS_AFTER_QC"	"PUBCHEM_SID"	"CAS"
"1"	1	"tolylquinone"	"CC1=CC(=O)C=CC1=O"	0	NA	NA	3	2	"66954"	"553979"
"17"	17	"4-Amino-3-pentadecylphenol"	"CCCCCCCCCCCCCCCc1cc(O)ccc1N"	0	""	""	3	3	"219123"	"3158552"
"89"	89	"(dimethylamino)propiophenone hydrochloride"	"CN(C)CCC(=O)c1ccccc1"	0	NA	NA	3	2	"538184"	"879721"
"185"	185	"Cactinomycin"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2"	0	NA	NA	2	1	"67121"	"66819"
"295"	295	"2-Phenylbutyric Acid"	"OC(=O)CCCc1ccccc1"	0	""	""	2	1	"4775"	"1821121"
"353"	353	"chloro-9-[[3-(diethylamino)propyl]amino]-2-methoxyacridi..."	"CCN(CC)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13"	0	""	""	1	1	"24180741"	"5336652"
"384"	384	"7-chloro-9-[[3-(dipentylamino)propyl]amino]-1,2,3,4-tetr..."	"CCCCCN(CCCCC)CCCNc1c2CCCCc2nc3ccc(Cl)cc13"	0	""	""	1	1	"54599265"	"5336889"
"534"	534	"acetoxyphenanthrylmercury"	"[R][Hg]OC(=O)C.c1ccc2c(c1)ccc3ccccc23"	0	""	""	2	2	"16685698"	NA
"596"	596	"3-bromo-2,4,6-trinitrotoluene"	"Cc1c(cc(c(Br)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"219376"	"5333095"
"629"	629	"bioxiran"	"C1OC1C2CO2"	0	""	""	1	1	"11254"	"1464535"
"721"	721	"isatin thiosemicarbazone"	"NC(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	2	1	"690109"	"487161"
"739"	739	"aminopterin"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	"DHFR"	""	2	2	"-1"	"54626"
"740"	740	"Methotrexate"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"Df|DHFR"	"FDA approved"	143	76	"126941"	"59052"
"742"	742	"azaserin"	"NC(COC(=O)C=[N+]=[N-])C(=O)O"	0	""	""	5	2	"460129"	"115026"
"749"	749	"8-Azaguanine"	"NC1=NC(=O)c2[nH]nnc2N1"	0	NA	NA	4	4	"538242"	"134587"
"752"	752	"6-Thioguanine"	"NC1=NC(=S)c2[nH]cnc2N1"	0	"Ds|IMPDH2|IMPDH"	"FDA approved"	138	113	"-1"	"154427"
"755"	755	"6-Mercaptopurine"	"S=C1N=CNc2nc[nH]c12"	0	"Ds|PPAT"	"FDA approved"	135	97	"-1"	"50442"
"757"	757	"Colchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	"FDA approved"	14	7	"-1"	"64868"
"762"	762	"Nitrogen mustard"	"CN(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	60	48	"-1"	"55867"
"798"	798	"3-phenyl-1-(2-pyridyl)-2-propen-1-one"	"O=C(\C=C\c1ccccc1)c2ccccn2"	0	NA	NA	1	1	"67675"	"5337531"
"830"	830	"4-Pyridineacrylic acid"	"OC(=O)\C=C\c1ccncc1"	0	""	""	1	1	"736782"	"5337791"
"885"	885	"3,3'-diamino-4,4'-bis(dimethylamino)benzophenone"	"CN(C)c1ccc(cc1N)C(=O)c2ccc(N(C)C)c(N)c2"	0	NA	NA	3	2	"67752"	"5340238"
"1010"	1010	"7-[.alpha.-(p-nitroanilino)benzyl]-8-quinolinol"	"Oc1c(ccc2cccnc12)C(Nc3ccc(cc3)[N+](=O)[O-])c4ccccc4"	0	""	""	2	1	"219563"	"5335966"
"1011"	1011	"p-[[.alpha.-(8-hydroxy-7-quinolyl)benzyl]amino]benzoic acid"	"OC(=O)c1ccc(NC(c2ccccc2)c3ccc4cccnc4c3O)cc1"	0	""	""	2	2	"219564"	"5335977"
"1012"	1012	"wln: t66 bnj iyr&mr bvq& jq"	"OC(=O)c1ccccc1NC(c2ccccc2)c3ccc4cccnc4c3O"	0	""	""	2	1	"95307"	"5394354"
"1013"	1013	"7-(.alpha.-anilino-p-nitrobenzyl)-8-quinolinol"	"Oc1c(ccc2cccnc12)C(Nc3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"219565"	NA
"1014"	1014	"7-[.alpha.-[(4-methyl-2-pyridyl)amino]benzyl]-8-quinolinol"	"Cc1ccnc(NC(c2ccccc2)c3ccc4cccnc4c3O)c1"	0	""	""	1	1	"219566"	"5335988"
"1026"	1026	"acpc"	"NC1(CCCC1)C(=O)O"	0	""	""	5	2	"2901"	"52528"
"1027"	1027	"1,1,3-Tribromo-3-methyl-2-butanone"	"CC(C)(Br)C(=O)C(Br)Br"	0	""	""	3	2	"219573"	"1578058"
"1063"	1063	"6-Chloro-2-methoxy-9-[(5-piperidinopentyl)amino]acridine"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCN4CCCCC4)c2c1"	0	""	""	1	1	"219600"	NA
"1199"	1199	"2-(Isobornyloxy)-1,1-dimethylethylamine"	"CC(C)(N)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C"	0	""	""	1	1	"219648"	"5396214"
"1338"	1338	"N-Decyl-2-iodoacetamide"	"CCCCCCCCCCNC(=O)CI"	0	""	""	2	2	"219690"	"5348787"
"1390"	1390	"Allopurinol"	"O=C1NC=Nc2[nH]ncc12"	0	"AM|XDH"	"FDA approved"	4	2	"-1"	"315300"
"1393"	1393	"pyrazoloadenine"	"Nc1ncnc2[nH]ncc12"	0	""	""	2	2	"75420"	"2380634"
"1433"	1433	"4-(butylamino)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine"	"CCCCNc1ncnc2c1cnn2c3ccccc3"	0	""	""	2	2	"219760"	"68380529"
"1460"	1460	"Tryptazan"	"NC(Cc1n[nH]c2ccccc12)C(=O)O"	0	""	""	1	1	"95318"	"526307"
"1482"	1482	"2-(2-Methyl-2-nitropropoxy)bornane"	"CC(C)(CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-]"	0	NA	NA	1	1	"68285"	NA
"1507"	1507	"2-Chloro-3-phenoxy-1,4-naphthoquinone"	"ClC1=C(Oc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	1	"219799"	"71369170"
"1760"	1760	"3-Phenanthrenepropionic acid, hydrazide"	"NNC(=O)CCc1ccc2ccc3ccccc3c2c1"	0	""	""	1	1	"219939"	"5345879"
"1771"	1771	"Thiram"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	2	2	"68535"	"137268"
"1797"	1797	"o-Aminoazotoluene"	"Cc1ccccc1N=Nc2ccc(N)c(C)c2"	0	NA	NA	1	1	"68559"	"97563"
"1895"	1895	"Guanazole"	"Nc1n[nH]c(N)n1"	0	"A7"	""	10	2	"15078"	"1455772"
"1906"	1906	"pmp (van)"	"SC(=S)N1CCCCC1"	0	NA	NA	4	2	"68634"	"98771"
"1910"	1910	"alkarsodyl"	"C[As](=O)(C)O"	0	NA	NA	2	1	"538399"	"124652"
"1945"	1945	"Gluconic acid, barium salt"	"OCC(O)C(O)C(O)C(O)C(=O)O"	0	""	""	1	1	"5351603"	"5328416"
"2012"	2012	"1-Dodecyl-4-nonylpyridinium chloride"	"CCCCCCCCCCCC[n+]1ccc(CCCCCCCCC)cc1"	0	""	""	1	1	"24180869"	NA
"2013"	2013	"declid"	"OC(=O)CCCCCCCCC=C"	0	NA	NA	5	2	"68715"	"112389"
"2039"	2039	"oxin"	"Oc1cccc2cccnc12"	0	NA	NA	1	1	"68737"	"148243"
"2053"	2053	"tris(4-biphenylyl)methanol"	"OC(c1ccc(cc1)c2ccccc2)(c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	"219999"	"5341140"
"2061"	2061	"3-(2-furyl)acrolein"	"O=C\C=C\c1occc1"	0	NA	NA	1	1	"68755"	"623303"
"2186"	2186	"thymophthalein"	"CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C"	0	""	""	2	1	"31316"	"125202"
"2384"	2384	"2,6-Dibenzylidenecyclohexanone"	"O=C1\C(=C\c2ccccc2)\CCC/C/1=C\c3ccccc3"	0	NA	NA	4	2	"69055"	"897789"
"2604"	2604	"d.b.t.c."	"CCCC[Sn](Cl)(Cl)CCCC"	0	""	""	2	1	"12688"	"683181"
"2626"	2626	"Propyl Gallate"	"CCCOC(=O)c1cc(O)c(O)c(O)c1"	0	""	""	1	1	"4947"	"121799"
"2724"	2724	"phenyl p-tolyl sulfone"	"Cc1ccc(cc1)S(=O)(=O)c2ccccc2"	0	NA	NA	1	1	"69335"	"640573"
"2755"	2755	"avlon"	"C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	"538523"	"86408"
"2785"	2785	"QAICTYKDANKDKI-UHFFFAOYSA-N"	"COc1cc(c2ncccc2c1O)[N+](=O)[O-]"	0	""	""	1	1	"135399288"	"5323580"
"2805"	2805	"2,2',5,5'-tetrahydroxy-4,4'-dimethylbiphenyl"	"Cc1cc(O)c(cc1O)c2cc(O)c(C)cc2O"	0	""	""	2	2	"220284"	"4371340"
"2829"	2829	"vetol"	"CC1=C(O)C(=O)C=CO1"	0	NA	NA	1	1	"69424"	"118718"
"3039"	3039	"sodium phenylacetate"	"[Na+].OC(=O)Cc1ccccc1"	0	NA	NA	1	1	"538568"	"114705"
"3051"	3051	"methylformamide"	"CNC=O"	0	""	""	11	2	"31254"	"123397"
"3053"	3053	"Actinomycin D"	"CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O"	0	"Db"	"FDA approved"	140	93	"-1"	"50760"
"3055"	3055	"puromycin"	"COc1ccc(C[C@H](N)C(=O)NC2C(CO)OC(C2O)n3cnc4c(ncnc34)N(C)C)cc1"	0	NA	NA	1	1	"538572"	"58582"
"3060"	3060	"potassium arsenite"	"[K+].O[As]=O"	0	NA	NA	2	1	"538575"	"10124502"
"3061"	3061	"malacid"	"CCc1nc(N)nc(N)c1c2ccc(Cl)cc2"	0	"DHFR"	"FDA approved"	2	2	"-1"	"58140"
"3062"	3062	"Etoprine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"29142"	"18588573"
"3073"	3073	"facid"	"NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2N1"	0	NA	NA	1	1	"69619"	"59303"
"3074"	3074	"chlorazin"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2"	0	NA	NA	1	1	"538580"	"152534"
"3077"	3077	"d 54"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2"	0	NA	NA	2	2	"538582"	"17711818"
"3080"	3080	"d 69"	"CC1(C)N=C(N)N=C(N)N1c2cccc(Cl)c2"	0	NA	NA	1	1	"538585"	"1931197"
"3081"	3081	""	"CCCCCCC1N=C(N)N=C(N)N1c2ccc(Cl)cc2"	0	NA	NA	1	1	"538586"	NA
"3082"	3082	"x 49"	"CC1(C)N=C(N)N=C(N)N1c2cccc(Br)c2"	0	NA	NA	2	2	"538587"	"4514527"
"3083"	3083	"1-(3-chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride"	"CCCCCCC1N=C(N)N=C(N)N1c2cccc(Cl)c2"	0	""	""	2	2	"24180956"	"5337962"
"3088"	3088	"Chlorambucil"	"OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	138	102	"-1"	"305033"
"3090"	3090	"badil"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	""	"FDA approved"	1	1	"-1"	"548629"
"3091"	3091	"methyl green"	"[Cl-].[Br-].CC[N+](C)(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	NA	NA	1	1	"538592"	"14855766"
"3093"	3093	"crude pyronine b"	"CCN(CC)c1ccc2C=C3C=CC(=[N+](CC)CC)C=C3Oc2c1.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	NA	NA	1	1	"538594"	NA
"3094"	3094	"pdmt"	"CN(C)N=Nc1ccccc1"	0	""	""	1	1	"23654"	"7227910"
"3262"	3262	"2,5-bis(ethylamino)hydroquinone"	"Oc1cc(N2CC2)c(O)cc1N3CC3"	0	""	""	2	2	"94797"	"2588343"
"3265"	3265	""	"Clc1ccc(\C=C\c2ccc3ccccc3n2)cc1"	0	NA	NA	2	2	"69781"	"5392198"
"3284"	3284	"wln: t6nj c- bt5ktj a1 a2- at5ktj a1 b- ct6nj &q 2 &i 2"	"C[N+]1(CC[N+]2(C)CCCC2c3cccnc3)CCCC1c4cccnc4"	0	NA	NA	1	1	"538616"	"5392303"
"3298"	3298	"phenol, 2-methoxy-4-(2-nitropropenyl)-"	"COc1cc(\C=C(\C)/[N+](=O)[O-])ccc1O"	0	NA	NA	1	1	"69805"	"5395471"
"3424"	3424	"quinacrine mustard"	"COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1"	0	NA	NA	2	2	"538639"	"4213450"
"3531"	3531	"Clioquinol"	"Oc1c(I)cc(Cl)c2cccnc12"	0	NA	NA	1	1	"70003"	"130267"
"3618"	3618	"4-N-(7-chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine"	"Clc1ccc2c(NC3CCC(CC3)NC4CCCCC4)ccnc2c1"	0	""	""	1	1	"220625"	NA
"3628"	3628	""	"CCN(CC)c1ccc(NC(C(=O)c2ccccc2)c3ccccc3)cc1"	0	NA	NA	1	1	"538681"	"5342632"
"3799"	3799	"AI3-08904"	"[O-][N+](=O)c1cccc(\C=C\C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])c1"	0	""	""	1	1	"6436750"	"621216"
"3808"	3808	"2,4-dinitrobromobenzene"	"[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-]"	0	""	""	2	2	"11441"	"584485"
"3840"	3840	"Chloro-(5-chlorothiophen-2-yl)mercury"	"Cl[Hg]c1ccc(Cl)s1"	0	""	""	2	2	"407288"	NA
"3847"	3847	"1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one"	"CCC(=O)c1cc(c(Br)s1)[N+](=O)[O-]"	0	""	""	1	1	"220712"	NA
"3852"	3852	"Hydron III"	"Oc1ccc(N=O)c2cccnc12"	0	""	""	2	2	"19103"	"3565262"
"3877"	3877	""	"c1cc[n+](cc1)C2c3ccccc3C(c4ccccc24)[n+]5ccccc5"	0	NA	NA	2	2	"538703"	"69282162"
"3905"	3905	"tripyridyl"	"c1ccc(nc1)c2cccc(n2)c3ccccn3"	0	NA	NA	1	1	"70320"	"1148794"
"3907"	3907	"benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1)..."	"Oc1cccc2cccnc12"	0	""	""	2	2	"142766"	"2439078"
"3927"	3927	"Thiolutin"	"CN1C(=O)C(=C2SSC=C12)NC(=O)C"	0	""	""	2	1	"6870"	"87116"
"3941"	3941	""	"C\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	NA	NA	1	1	"70345"	"6974465"
"3970"	3970	"pyrod"	"O=C1NC=CC(=O)N1"	0	NA	NA	5	1	"70371"	"66228"
"4045"	4045	"auramin"	"CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	NA	NA	1	1	"538729"	"2465272"
"4060"	4060	"urson"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(=O)O"	0	""	""	1	1	"64945"	"77521"
"4112"	4112	"Fenticlor"	"Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O"	0	NA	NA	1	1	"70504"	"97245"
"4114"	4114	"Morpholine-N-dithiocarbamate"	"SC(=S)N1CCOCC1"	0	""	""	4	2	"72675"	"5327106"
"4170"	4170	"kipca"	"CC1=CC(=O)c2ccccc2C1=O"	0	NA	NA	2	1	"70547"	"58275"
"4184"	4184	"p,p'-dihydroxystilbene"	"Oc1ccc(\C=C\c2ccc(O)cc2)cc1"	0	""	""	2	2	"5282363"	"659223"
"4232"	4232	"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid"	"OC(=O)c1cccc(NC(C(=O)c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	"220828"	"5397568"
"4236"	4236	"4m2o"	"CN(C)c1ccc(\C=C\c2ccnc3ccccc23)cc1"	0	""	""	2	2	"668053"	"897552"
"4238"	4238	"2m2m"	"CN(C)c1ccc(\C=C\c2ccc3ccccc3[n+]2C)cc1"	0	NA	NA	1	1	"538770"	"3915615"
"4239"	4239	"4m2m"	"CN(C)c1ccc(\C=C\c2cc[n+](C)c3ccccc23)cc1"	0	NA	NA	2	2	"538771"	"20327086"
"4265"	4265	"phenanthroline hydrochloride"	"c1cnc2c(c1)ccc3cccnc23"	0	NA	NA	2	2	"538778"	"3829865"
"4272"	4272	"5-methylphenanthroline"	"Cc1cc2cccnc2c3ncccc13"	0	""	""	1	1	"72791"	"3002786"
"4280"	4280	"neocuproin"	"Cc1ccc2ccc3ccc(C)nc3c2n1"	0	""	""	2	2	"65237"	"484117"
"4281"	4281	"4,7-dimethyl-o-phenanthroline"	"Cc1ccnc2c1ccc3c(C)ccnc23"	0	""	""	1	1	"72792"	"3248053"
"4285"	4285	"STK862428"	"ClC1=C(Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"14161"	"1090160"
"4290"	4290	"1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide"	"CCCCCc1cc[n+](CC(=O)c2ccc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	"24181037"	"5397955"
"4291"	4291	"Masoprocol"	"CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2"	0	""	"FDA approved"	2	2	"-1"	"500389"
"4320"	4320	"Strophanthin"	"COC1CC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1OC7OC(CO)C(O)C(O)C7O"	0	NA	NA	3	1	"70646"	"560532"
"4375"	4375	"Hydroxychloroquine Sulfate"	"CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12"	0	"Immunomodulatory"	"FDA approved"	1	1	"-1"	"747364"
"4378"	4378	"1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride"	"CCN(CC)CC(O)c1cc(nc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	2	1	"24181064"	NA
"4432"	4432	"genacryl pink g"	"CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	1	1	"6433371"	"3648360"
"4434"	4434	"nabor orange r"	"C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15"	0	NA	NA	2	2	"538841"	"4657005"
"4483"	4483	"omadine sodium"	"[O-][n+]1ccccc1S"	0	NA	NA	1	1	"538849"	"3811732"
"4512"	4512	"2-Iodo-3-(phenylsulfonyl)propanenitrile"	"IC(CS(=O)(=O)c1ccccc1)C#N"	0	""	""	1	1	"220946"	NA
"4518"	4518	"Bis(4-amino-3-bromophenyl)methanone"	"Nc1ccc(cc1Br)C(=O)c2ccc(N)c(Br)c2"	0	""	""	2	2	"220951"	"5398618"
"4582"	4582	"(1Z,4E)-1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one"	"Oc1ccc(Br)cc1\C=C\C(=O)\C=C\c2cc(Br)ccc2O"	0	""	""	1	1	"54603154"	"6291005"
"4623"	4623	"1h-imidazole-4,5-dicarboxylic acid, 2-phenyl- (9ci)"	"OC(=O)c1nc([nH]c1C(=O)O)c2ccccc2"	0	""	""	2	2	"221007"	"888608"
"4644"	4644	"betulin"	"CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12"	0	NA	NA	1	1	"70904"	"473983"
"4681"	4681	"2-[4-(Carboxymethoxy)phenoxy]acetic acid"	"OC(=O)COc1ccc(OCC(=O)O)cc1"	0	""	""	1	1	"24181093"	"5393293"
"4698"	4698	""	"CC(C)c1cc(SC#N)c(C)cc1O"	0	NA	NA	1	1	"70941"	"6074313"
"4728"	4728	"Aminothiadiazole"	"Nc1nncs1"	0	""	""	10	3	"19909"	"4005510"
"4810"	4810	""	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccccc23)c(c1)[N+](=O)[O-]"	0	NA	NA	1	1	"71037"	"2058711"
"4844"	4844	"N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	"24181101"	"2932516"
"4857"	4857	"dedc"	"[Na+].CCN(CC)C(=S)S"	0	NA	NA	2	1	"538917"	"148185"
"4896"	4896	"Quinalizarin"	"Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O"	0	NA	NA	1	1	"538929"	"81618"
"4911"	4911	"Thioinosine"	"OCC1OC(C(O)C1O)n2cnc3C(=S)N=CNc23"	0	NA	NA	2	2	"71103"	"574254"
"4962"	4962	"2-Methyl-1,4-hydroquinone"	"Cc1cc(O)ccc1O"	0	NA	NA	1	1	"71154"	"95716"
"4972"	4972	"tbhq"	"CC(C)(C)c1cc(O)ccc1O"	0	""	""	3	2	"16043"	"1948330"
"5006"	5006	"c.i. 42510 acetate"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	1	1	"71191"	"6035956"
"5011"	5011	"Brilliant Green"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3"	0	NA	NA	1	1	"538943"	"633034"
"5019"	5019	"violet bnp"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)Cc3cccc(c3)S(=O)(=O)O)C=C2)c4ccc(cc4)N(CC)Cc5cccc(c5)S(=O)(=O)O"	0	NA	NA	2	2	"538951"	"4129844"
"5031"	5031	"d-glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihyd..."	"Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OCC3OC(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)C(OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)C(OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)C3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10"	0	""	""	1	1	"16129878"	"72401537"
"5048"	5048	"magneson ii"	"Oc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c3ccccc13"	0	""	""	1	1	"79174"	"5290620"
"5053"	5053	"tptz"	"c1ccc(cc1)c2n[n+](c3ccccc3)n(n2)c4ccccc4"	0	""	""	2	2	"9283"	"298964"
"5062"	5062	"allyliodourotropine"	"C=CC[N+]12CN3CN(CN(C3)C1)C2"	0	NA	NA	1	1	"538960"	"36895622"
"5066"	5066	"2,4-dihydroxy-6-methyl-4'-nitroazobenzene"	"Cc1cc(O)cc(O)c1N=Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"69095"	"607965"
"5113"	5113	"Pomiferin"	"CC(=CCc1c(O)c2C(=O)C(=COc2c3C=CC(C)(C)Oc13)c4ccc(O)c(O)c4)C"	0	""	""	2	2	"4871"	"572032"
"5159"	5159	"chartreusin"	"COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C(O)C2O)C1O"	0	NA	NA	8	5	"538981"	"6377180"
"5192"	5192	"5,6-Chrysenedione"	"O=C1C(=O)c2c(ccc3ccccc23)c4ccccc14"	0	""	""	1	1	"16317"	"2051107"
"5200"	5200	"py 40"	"NC1=NC(=O)C(=C(N)N1)N=Nc2ccccc2"	0	""	""	1	1	"135403411"	"3054704"
"5206"	5206	"1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride"	"CCCCCCCCCCCC1N=C(N)N=C(N)N1c2cccc(Br)c2"	0	""	""	2	2	"24181145"	"6333477"
"5278"	5278	"olpizan"	"[O-][N+](=O)c1cc(Cl)c(Cl)c(c1Cl)[N+](=O)[O-]"	0	""	""	1	1	"17584"	"2678219"
"5283"	5283	"chlorotriethyltin"	"CC[Sn](Cl)(CC)CC"	0	""	""	1	1	"13820"	"994310"
"5332"	5332	"pan (van)"	"Oc1ccc2ccccc2c1N=Nc3ccccn3"	0	""	""	2	2	"6825"	"85858"
"5337"	5337	"vancide 26"	"CCCCCCCCCCCC[n+]1ccccc1.Clc2ccc3SC(=S)[N-]c3c2"	0	""	""	2	2	"79411"	"5406973"
"5347"	5347	"(o-Carboxyphenylthio)acetic acid"	"OC(=O)CSc1ccccc1C(=O)O"	0	NA	NA	1	1	"71476"	"135137"
"5355"	5355	"berberal"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	2	2	"538997"	"316416"
"5364"	5364	"cinchonidine"	"OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34"	0	""	"FDA approved"	1	1	"-1"	"485712"
"5366"	5366	"Noscapine"	"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34"	0	""	"FDA approved"	1	1	"-1"	"128621"
"5417"	5417	"1-naphthalenol, 4-nitroso- (9ci)"	"Oc1ccc(N=O)c2ccccc12"	0	NA	NA	1	1	"71540"	"605607"
"5418"	5418	"p-nitroso-n,n-diethylaniline"	"CCN(CC)c1ccc(cc1)N=O"	0	""	""	1	1	"67115"	"120229"
"5425"	5425	"9,10-phenanthrenedione, 2-nitro- (9ci)"	"[O-][N+](=O)c1ccc2c(c1)C(=O)C(=O)c3ccccc23"	0	NA	NA	1	1	"71548"	"604955"
"5485"	5485	"1,3-bis(7-chloroquinolin-4-ylamino)propan-2-ol"	"OC(CNc1ccnc2cc(Cl)ccc12)CNc3ccnc4cc(Cl)ccc34"	0	""	""	1	1	"221231"	"6285241"
"5491"	5491	"ethyl red"	"CCN1C=C\C(=C/c2ccc3ccccc3[n+]2CC)\c4ccccc14"	0	NA	NA	1	1	"539019"	"634219"
"5550"	5550	"malachite green oxalate"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.OC(=O)C(=O)O.[O-]C(=O)C(=O)[O-]"	0	""	""	4	2	"407450"	"4366318"
"5551"	5551	"wln: t b566 ck esj c1 d1u1r dn1&1 &i"	"CN(C)c1ccc(\C=C\c2sc3ccc4ccccc4c3[n+]2C)cc1"	0	""	""	2	1	"6433478"	"6285354"
"5620"	5620	"2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid"	"OC(=O)CC1(CC(=O)O)Nc2ccccc2SC1=O"	0	""	""	1	1	"221258"	"6289185"
"5639"	5639	"phenylbenzophenone"	"O=C(c1ccccc1)c2ccccc2c3ccccc3"	0	""	""	1	1	"407452"	"1985326"
"5648"	5648	"thonzide"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2"	0	NA	NA	2	1	"539037"	"553082"
"5703"	5703	"5-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]isoquinoline"	"COc1cc(cc(OC)c1OC)c2nccc3cc4OCOc4cc23"	0	""	""	1	1	"221307"	"6289710"
"5705"	5705	"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate"	"COC(=O)c1cc(O)c2cc3OCOc3cc2c1c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"221309"	"6289721"
"5816"	5816	"wln: gr dmyus&mvr"	"Clc1ccc(NC(=S)NC(=O)c2ccccc2)cc1"	0	""	""	2	1	"701011"	"4921839"
"5889"	5889	"l-usnic acid"	"CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O"	0	NA	NA	5	2	"71909"	NA
"5890"	5890	"d-usnic acid"	"CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O"	0	NA	NA	5	2	"71910"	NA
"5896"	5896	"Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol"	"COc1cc(N=Nc2ccc(O)c3ncccc23)c4ncccc4c1"	0	""	""	1	1	"135436503"	NA
"5907"	5907	"Acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline"	"COc1ccc2nccc(\C=C\c3ccnc4ccc(OC)cc34)c2c1"	0	""	""	2	1	"16682406"	"6281852"
"5908"	5908	"9-(6-Methoxy-3,4-dihydro-2H-quinolin-1-yl)acridine"	"COc1ccc2N(CCCc2c1)c3c4ccccc4nc5ccccc35"	0	""	""	1	1	"221375"	"5461472"
"5920"	5920	"4-[[4-(dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine"	"COc1cc(N=Nc2cc(Cc3ccc(cc3)N(C)C)c(N)cc2N(C)C)c4ncccc4c1"	0	""	""	1	1	"407487"	NA
"6145"	6145	"1,2-Dibenzoylbenzene"	"O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3"	0	""	""	1	1	"70875"	"1159860"
"6152"	6152	"chrysarobin"	"Cc1cc(O)c2cc3c(O)c(O)ccc3cc2c1"	0	NA	NA	2	2	"72146"	NA
"6171"	6171	"cineol"	"CC12CCC(CC1)C(C)(C)O2"	0	NA	NA	6	3	"72164"	"470826"
"6176"	6176	"Cinchonine"	"O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34"	0	NA	NA	1	1	"72169"	"118105"
"6266"	6266	"Dibenzoylmethane"	"O=C(CC(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"8433"	"120467"
"6278"	6278	"2-Aminonaphthiazole"	"Nc1nc2c(ccc3ccccc23)s1"	0	""	""	1	1	"94880"	"40172654"
"6386"	6386	"bialamicol"	"CCN(CC)Cc1cc(cc(CC=C)c1O)c2cc(CC=C)c(O)c(CN(CC)CC)c2"	0	NA	NA	4	2	"539146"	"3624962"
"6396"	6396	"Thiotepa"	"S=P(N1CC1)(N2CC2)N3CC3"	0	"A7|AlkAg"	"FDA approved"	144	115	"-1"	"52244"
"6477"	6477	"nf 23"	"CCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"899314"	"1874120"
"6777"	6777	"ALBB-024793"	"[O-][N+](=O)c1cc(Br)cc2c3cc(Br)ccc3[nH]c12"	0	""	""	1	1	"221765"	"5416228"
"6814"	6814	"Erucic Acid"	"CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O"	0	NA	NA	5	1	"72770"	"112867"
"6883"	6883	"72I9A2I712"	"[O-][N+](=O)c1cccc(Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	"221812"	"2548972"
"6891"	6891	"N-(4-bromophenyl)-3,4-dichlorobenzamide"	"Clc1ccc(cc1Cl)C(=O)Nc2ccc(Br)cc2"	0	""	""	2	1	"221819"	NA
"6926"	6926	""	"O=C(NNc1ccccc1)C(=O)NNc2ccccc2"	0	NA	NA	1	1	"72881"	"3030759"
"7215"	7215	"tetraaminoditolylmethane"	"Cc1cc(Cc2cc(C)c(N)cc2N)c(N)cc1N"	0	NA	NA	1	1	"73154"	"97223"
"7223"	7223	"chrome black t"	"[Na+].Oc1cc(c2cc(ccc2c1N=Nc3ccc4ccccc4c3O)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	4	2	"539189"	"1787617"
"7233"	7233	"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione"	"Brc1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(Br)ccc7c8ccc(c9ccc2c3c49)c5c68"	0	""	""	1	1	"222032"	"76415413"
"7354"	7354	"6-hydrazinopurine"	"N\N=C\1/N=CNc2nc[nH]c12"	0	""	""	2	2	"94902"	"5404864"
"7359"	7359	"xylosyl a"	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	"73250"	"524696"
"7364"	7364	"ddmp"	"Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2"	0	NA	NA	3	2	"73253"	"7761457"
"7365"	7365	"Diazooxonorleucine"	"NC(CCC(=O)C=[N+]=[N-])C(=O)O"	0	NA	NA	12	4	"539237"	"157039"
"7376"	7376	""	"COc1cc(\C=C\[N+](=O)[O-])ccc1O"	0	NA	NA	1	1	"73263"	"6178423"
"7389"	7389	"phenanthraquinone"	"O=C1C(=O)c2ccccc2c3ccccc13"	0	NA	NA	1	1	"73276"	"84117"
"7390"	7390	""	"COc1ccc(\C=C\[N+](=O)[O-])cc1OC"	0	NA	NA	1	1	"73277"	"4230937"
"7420"	7420	"5-Bromo-3-cyclohexyl-2-hydroxybenzamide"	"NC(=O)c1cc(Br)cc(C2CCCCC2)c1O"	0	""	""	1	1	"222105"	"6284500"
"7436"	7436	"sulfanilanilide, 4'-tert-butyl-"	"CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1"	0	""	""	1	1	"222114"	NA
"7519"	7519	"buphanidrine, perchlorate"	"COC1CC2N3CCC2(C=C1)c4cc5OCOc5c(OC)c4C3"	0	""	""	1	1	"457798"	NA
"7521"	7521	"simeon"	"CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O"	0	NA	NA	9	2	"73367"	"466068"
"7525"	7525	"transvaalin"	"CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(OC7OC(CO)C(O)C(O)C7O)C1O"	0	""	""	6	1	"222156"	"124992"
"7529"	7529	"Digimed"	"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C"	0	NA	NA	3	1	"73375"	"71636"
"7530"	7530	"Strophanthoside-K"	"COC1CC(O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O"	0	NA	NA	2	2	"73376"	"33279571"
"7532"	7532	"adigal"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(CCC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	"539280"	"17575201"
"7533"	7533	"allocor"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	"73378"	"17575223"
"7534"	7534	"Scillirosidin, glycoside"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)CCC(O)C=C15"	0	""	""	10	5	"222160"	"507595"
"7535"	7535	"lanatoside b"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(C(O)CC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	"539281"	"17575212"
"7606"	7606	"alantan"	"NC(=O)NC1NC(=O)NC1=O"	0	NA	NA	1	1	"73440"	"97596"
"7757"	7757	"bornyl cinnamate"	"CC1(C)[C@@H]2CC[C@]1(C)[C@@H](C2)OC(=O)\C=C\c3ccccc3"	0	NA	NA	1	1	"73553"	"6330672"
"7801"	7801	"Mauve"	"Cc1ccc(cc1)[n+]2c3cc(N)c(C)cc3nc4cc(C)c(Nc5ccccc5)cc24"	0	""	""	2	2	"407617"	"6373224"
"7811"	7811	"Bindschedler's green"	"CN(C)c1ccc(cc1)N=C2C=CC(=[N+](C)C)C=C2"	0	""	""	1	1	"73516"	"4486059"
"7813"	7813	"brilliant cresyl blue"	"CCN(CC)c1cc2OC3=CC(=N)C=C(N)C3=Nc2cc1C"	0	""	""	1	1	"24181324"	NA
"7821"	7821	"Capri Blue"	"CCN(CC)c1cc2[o+]c3cc(ccc3nc2cc1C)N(C)C"	0	""	""	1	1	"102162"	"1787571"
"7833"	7833	"krisolamine"	"Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	1	1	"539357"	"128950"
"7853"	7853	"2,6-dichloro-7-methylpurine"	"Cn1cnc2nc(Cl)nc(Cl)c12"	0	""	""	1	1	"75281"	"2273930"
"8101"	8101	"inosite"	"OC1C(O)C(O)C(O)C(O)C1O"	0	NA	NA	1	1	"73813"	"6917357"
"8117"	8117	"erycorbin"	"OCC(O)C1OC(=O)C(=C1O)O"	0	NA	NA	1	1	"73828"	"89656"
"8120"	8120	"mycoin"	"OC1OCC=C2OC(=O)C=C12"	0	NA	NA	5	5	"73831"	"149291"
"8174"	8174	"phenylbiguanide mbt-salt"	"NC(=N)NC(=N)Nc1ccccc1.S=C2Nc3ccccc3S2"	0	""	""	1	1	"3034162"	"5437116"
"8179"	8179	""	"NC(=O)Nc1n[nH]c(n1)c2ccccc2"	0	NA	NA	1	1	"73878"	"6642326"
"8360"	8360	"N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine"	"CCN(CC)CCCC(Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13)c4ccc(F)cc4"	0	""	""	1	1	"222439"	"3870437"
"8552"	8552	"9-Chlorophenanthrene"	"Clc1cc2ccccc2c3ccccc13"	0	""	""	1	1	"13694"	"947728"
"8643"	8643	"Gallamine Blue"	"CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)N"	0	""	""	1	1	"135436514"	"1563026"
"8672"	8672	"Hofmann's Violet"	"CCNc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N(CC)CC)c(C)c3"	0	""	""	1	1	"24181402"	NA
"8673"	8673	"iodine green"	"CN(C)c1ccc(cc1C)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C"	0	""	""	1	1	"54605107"	"33231004"
"8675"	8675	"Ethyl violet"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC"	0	""	""	2	1	"16955"	"2390592"
"8704"	8704	"dyodin"	"Oc1c(I)cc(I)c2cccnc12"	0	NA	NA	1	1	"74322"	"83738"
"8786"	8786	"diacetoxybutyltin"	"CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C"	0	""	""	2	2	"16682740"	"1067330"
"8806"	8806	"Melphalan"	"N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O"	0	"A7|AlkAg"	"FDA approved"	55	42	"-1"	"3223072"
"8974"	8974	"Bis(4-bromophenyl)iodanium;hydroiodide"	"Brc1ccc([I+]c2ccc(Br)cc2)cc1"	0	""	""	1	1	"54609012"	NA
"8982"	8982	"Diphenyliodanium;2,4,6-trinitrophenol"	"[I+](c1ccccc1)c2ccccc2"	0	""	""	1	1	"24181416"	"6293658"
"8985"	8985	"Di-p-tolyliodinium bromide"	"Cc1ccc([I+]c2ccc(C)cc2)cc1"	0	NA	NA	1	1	"539516"	"6293681"
"8994"	8994	"Bis(4-tert-butylphenyl)iodanium;hydrochloride"	"CC(C)(C)c1ccc([I+]c2ccc(cc2)C(C)(C)C)cc1"	0	""	""	1	1	"54602012"	"5421534"
"8995"	8995	"rot c"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccccc4"	0	NA	NA	1	1	"539521"	"85869"
"9037"	9037	"3h-xanthen-3-one, 2,6,7-trihydroxy-9-(o-hydroxy-phenyl)-"	"OC1=CC2=C(c3ccccc3O)c4cc(O)c(O)cc4OC2=CC1=O"	0	""	""	1	1	"72722"	"3569822"
"9168"	9168	"fumidil"	"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C/C(=O)O"	0	NA	NA	3	1	"74694"	"23110158"
"9170"	9170	"thiocolciran"	"COc1cc2CC[C@H](N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	5	2	"17649"	"2731160"
"9291"	9291	"naphthol blue (van)"	"CN(C)c1ccc2nc3c(ccc4ccccc34)[o+]c2c1"	0	""	""	2	1	"101929"	"966621"
"9358"	9358	"pada"	"CN(C)c1ccc(cc1)N=Nc2ccccn2"	0	""	""	1	1	"81528"	"13103758"
"9403"	9403	"methylene green (van)"	"CN(C)c1ccc2nc3ccc(N(C)C)c(c3[s+]c2c1)[N+](=O)[O-]"	0	NA	NA	1	1	"539618"	"2679018"
"9404"	9404	"safranin bluish"	"CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	2	2	"539619"	"2390569"
"9594"	9594	"safranin bluish"	"CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	1	1	"539646"	"2390569"
"9598"	9598	"azur i"	"CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	""	1	1	"68275"	"531555"
"9605"	9605	"methylene blue nn"	"CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C"	0	NA	NA	1	1	"539650"	"1934163"
"9608"	9608	"1-(naphthalen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-..."	"OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1c4ccc5ccccc5c4"	0	""	""	1	1	"222760"	NA
"9609"	9609	"janus red"	"Cc1cc(ccc1N=Nc2cccc(c2)[N+](C)(C)C)N=Nc3c(O)ccc4ccccc34"	0	NA	NA	3	2	"539653"	"2636319"
"9610"	9610	"janus black"	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)\N=N\c5ccc(O)cc5"	0	""	""	1	1	"135436529"	"4443996"
"9612"	9612	"nile blue bb"	"CCN(CC)c1ccc2nc3c(cc(NCc4ccccc4)c5ccccc35)[o+]c2c1"	0	""	""	2	1	"20520"	"4451881"
"9665"	9665	"gelcohol"	"CO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C"	0	""	""	1	1	"222778"	"108102518"
"9667"	9667	"N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate"	"CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCc1ccc(OCCOCC[N+](C)(C)CC)cc1"	0	""	""	1	1	"24181516"	"6292315"
"9704"	9704	"lutex"	"CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	"75083"	"57830"
"9706"	9706	"Triethylenemelamine"	"C1CN1c2nc(nc(n2)N3CC3)N4CC4"	0	"A7|AlkAg"	"FDA approved"	136	117	"5799"	"51183"
"9768"	9768	"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol"	"Oc1ccc(Cl)cc1Cc2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	"222840"	"5419534"
"9771"	9771	"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol"	"CCCC(C)c1cc(Cc2cc(Cl)cc(Cl)c2O)c(O)c(Cc3cc(Cl)cc(Cl)c3O)c1"	0	""	""	1	1	"222841"	NA
"9853"	9853	"orange y"	"[Na+].Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O"	0	NA	NA	2	1	"539726"	"633965"
"9855"	9855	"phenosafranin"	"Nc1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	1	1	"539727"	"81936"
"9856"	9856	"red oil"	"CCCCCCCC\C=C/CCCCCCCC(=O)O"	0	""	""	5	1	"445639"	"112801"
"9858"	9858	"new fuchsin"	"CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N"	0	NA	NA	2	2	"539728"	"3248917"
"9921"	9921	"pentamide"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	"4735"	"100334"
"9936"	9936	"kutizon"	"CC(C)c1ccc(\C=N\NC(=S)N)cc1"	0	NA	NA	1	1	"75287"	"3811209"
"9951"	9951	"Decyltrimethylammonium bromide"	"CCCCCCCCCC[N+](C)(C)C"	0	""	""	1	1	"16388"	"2082840"
"10010"	10010	"n,n-bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- non..."	"COc1ccc2nc(C)cc(NCCCCCCCCCNc3cc(C)nc4ccc(OC)cc34)c2c1"	0	NA	NA	3	3	"539757"	"6286095"
"10018"	10018	"benzimidazole, 1-dodecyl-2-methyl-, hydrobromide"	"CCCCCCCCCCCCn1c(C)nc2ccccc12"	0	NA	NA	1	1	"539760"	NA
"10036"	10036	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	1	1	"222938"	NA
"10037"	10037	"N-(7-chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	"222939"	"6286255"
"10438"	10438	"resazoin"	"Oc1ccc2c(OC3=CC(=O)C=CC3=[N+]2[O-])c1"	0	NA	NA	2	2	"75737"	"550823"
"10460"	10460	"p-fuchsin"	"Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	4	3	"539808"	"569619"
"10466"	10466	"Basic Fuchsin"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	2	2	"539813"	"632995"
"10483"	10483	"Desoximetasone"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	"FDA approved"	2	2	"5754"	"50237"
"10492"	10492	"2-(4-chlorophenyl)-n-(7-chloroquinolin-4-yl)-n',n'-dieth..."	"CCN(CC)CCCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	NA	NA	1	1	"75756"	"5418597"
"10517"	10517	"2m2pm"	"CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1"	0	NA	NA	1	1	"539849"	"2156298"
"10520"	10520	"2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide"	"C[n+]1c(\C=C\c2ccc(Cl)cc2)ccc3ccccc13"	0	""	""	1	1	"54598850"	"5418779"
"10526"	10526	""	"CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1"	0	NA	NA	1	1	"539858"	"20064839"
"10534"	10534	"1,3,3-trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide"	"C[N+]1=C(\C=C\C=C\c2ccccc2)C(C)(C)c3ccccc13"	0	""	""	1	1	"54609031"	"5418859"
"10535"	10535	""	"CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	NA	NA	1	1	"539867"	"6307035"
"10587"	10587	"1-naphthalenemethanol, .alpha.-[2-(dibutylamino)-1,1-dim..."	"CCCCN(CCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12"	0	""	""	1	1	"24181636"	"5414584"
"10594"	10594	"N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride"	"CCN(CC)CCC(CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	"24181641"	"5414631"
"10641"	10641	"1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride"	"CCCCCN(CCCCC)CC(O)c1cc(Cl)ccc1OC"	0	""	""	1	1	"24181655"	NA
"10660"	10660	"1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride"	"CCCCCN(CCCCC)CC(O)c1ccc(Cl)c2ccccc12"	0	""	""	1	1	"24181664"	NA
"10667"	10667	"phenothiazin-5-ium (9ci), 7-(dibutylamino)-3-(diethylami..."	"CCCCN(CCCC)c1ccc2nc3c(C)cc(cc3[s+]c2c1)N(CC)CC"	0	""	""	1	1	"24181669"	"6285832"
"10721"	10721	"cortef fluid"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	"FDA approved"	1	1	"223253"	"508996"
"10848"	10848	"ALBB-015765"	"Oc1cccc2c3OC(=O)C4=C(CCCC4)c3ccc12"	0	""	""	1	1	"223320"	"5408468"
"11051"	11051	""	"CCCCN(CCCC)CCCCNc1c(C)cnc2cc(Cl)ccc12"	0	NA	NA	1	1	"76102"	NA
"11216"	11216	"indophenol, 2,6-dibromo-, monosodium salt"	"Oc1ccc(cc1)N=C2C=C(Br)C(=O)C(=C2)Br"	0	NA	NA	1	1	"540032"	"5415236"
"11225"	11225	"klot"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	"540036"	"92319"
"11232"	11232	"sudan r"	"COc1ccccc1N=Nc2c(O)ccc3ccccc23"	0	NA	NA	2	2	"76266"	"1229556"
"11235"	11235	"thioflavine"	"CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C"	0	""	""	2	2	"16953"	"2390547"
"11240"	11240	"Basic Blue K"	"CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C)c4ccccc14"	0	""	""	2	2	"16599"	"2185866"
"11241"	11241	"sudan red"	"[Cl-].[Cl-].Nc1cc2c(nc3c4ccccc4ccc3[n+]2c5cccc6ccccc56)c7ccccc17.Nc8cc9c(nc%10c%11ccccc%11c(N)cc%10[n+]9c%12cccc%13ccccc%12%13)c%14ccccc8%14"	0	""	""	2	2	"11980862"	NA
"11420"	11420	"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol"	"CCCCCN(CCCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12"	0	""	""	1	1	"223647"	"6288466"
"11452"	11452	"Antineoplastic-11452"	"O=[As]c1ccc(cc1)S(=O)(=O)Nc2ccccc2"	0	""	""	1	1	"223660"	NA
"11461"	11461	"usaf sn-31"	"CN(C)C(=S)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"6967"	"89372"
"11511"	11511	"NIOSH/GY7277500"	"CC1C(=O)C(=C(c2ccccc2)C1(O)c3ccccc3)C"	0	""	""	1	1	"223673"	"5423063"
"11590"	11590	"9AD2B660I3"	"OCCNc1ncnc2nc[nH]c12"	0	""	""	1	1	"20684"	"4551955"
"11624"	11624	"Maybridge3_001738"	"Cn1ncc2c(Sc3ccc(Cl)cc3)ncnc12"	0	""	""	1	1	"223719"	NA
"11663"	11663	"1-Phenyl-4-propoxy-6-(propylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine"	"CCCOc1nc(SCCC)nc2c1cnn2c3ccccc3"	0	""	""	1	1	"223750"	NA
"11667"	11667	"1h-pyrazolo[3,4-d]pyrimidine, 4,6-bis(p-bromoanilino)-1-..."	"Cn1ncc2c(Nc3ccc(Br)cc3)nc(Nc4ccc(Br)cc4)nc12"	0	""	""	1	1	"223752"	NA
"11668"	11668	"n4,n6-bis(3-chlorophenyl)-1-methyl-1h-pyrazolo[3,4-d]pyr..."	"Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc4cccc(Cl)c4)nc12"	0	""	""	2	2	"223753"	NA
"11713"	11713	"c.i. pigment red 64 (8ci)"	"OC(=O)c1cc2ccccc2c(N=Nc3ccccc3)c1O"	0	""	""	1	1	"80753"	"27757795"
"11773"	11773	"mida"	"CN(CC(=O)O)CC(=O)O"	0	""	""	1	1	"20441"	"4408644"
"11841"	11841	"TimTec1_005460"	"COc1ccc2OC(=O)C=C(C)c2c1"	0	""	""	1	1	"223821"	"6295358"
"11881"	11881	"benzoylleukomethylene blue"	"CN(C)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Sc2c1)N(C)C"	0	""	""	1	1	"94975"	"1249974"
"11897"	11897	"Phthiocol"	"CC1=C(O)C(=O)c2ccccc2C1=O"	0	""	""	2	1	"10221"	"483556"
"11905"	11905	"lapachol"	"CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C"	0	NA	NA	4	2	"76734"	"84797"
"11926"	11926	"tardolyt"	"COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-]"	0	NA	NA	2	2	"76752"	"313677"
"11963"	11963	"2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride"	"Oc1c(CNCCNCc2cc(Cl)cc(Cc3ccccc3)c2O)cc(Cl)cc1Cc4ccccc4"	0	""	""	1	1	"24181851"	NA
"11969"	11969	"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol"	"Oc1c(Cl)cc(Cl)c(Cl)c1CNCCNCc2c(O)c(Cl)cc(Cl)c2Cl"	0	""	""	1	1	"223883"	NA
"11981"	11981	"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol"	"CCCCC\N=C\c1c(O)c(O)c(C(C)C)c2cc(C)c(c(O)c12)c3c(C)cc4c(C(C)C)c(O)c(O)c(\C=N\CCCCC)c4c3O"	0	""	""	1	1	"223889"	"5422606"
"11991"	11991	"REGID_for_CID_223899"	"CC(C)(C)C1=NN=C2C1C(=O)c3ccccc23"	0	""	""	1	1	"223899"	"6287805"
"12097"	12097	"Resorufin"	"Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1"	0	""	""	2	2	"69462"	"635789"
"12113"	12113	"1,2-Dimethoxy-4-(2-nitropropenyl)benzene"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1OC"	0	NA	NA	1	1	"76892"	"122474"
"12129"	12129	"7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid"	"Oc1ccc2cccc(c2c1N=Nc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N=Nc5c(O)ccc6cccc(c56)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	"223984"	"7251992"
"12150"	12150	"decanediamide, n,n'-bis(4-amino-2-methyl-6-quinolyl)-, d..."	"Cc1cc(N)c2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1"	0	NA	NA	2	2	"540255"	NA
"12161"	12161	"Crotonosid"	"NC1=NC(=O)Nc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	1	1	"76920"	"1818719"
"12174"	12174	"isoflupredone"	"CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO"	0	NA	NA	3	2	"76932"	"338954"
"12181"	12181	"3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid"	"OC(=O)c1c(cc2ccccc2c1c3ccccc3)C4=C5C=CC(=O)C=C5Oc6cc(O)ccc46"	0	""	""	3	2	"408250"	"6640024"
"12198"	12198	"Dromostanolone Propionate"	"CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C"	0	"Ho"	"FDA approved"	2	2	"224004"	"521120"
"12455"	12455	"beacon red"	"[Na+].OC(=O)c1ccccc1N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	2	1	"540311"	"1836222"
"12516"	12516	"4-(6-chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-..."	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCCC5)c4)c2c1"	0	""	""	1	1	"24181914"	NA
"12517"	12517	"N-benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride"	"CC(C)c1ccc2C3CCCC(C)(NCc4ccccc4)C3CCc2c1"	0	""	""	1	1	"24181915"	NA
"12650"	12650	"antineoplastic-12650"	"Oc1ccc(cc1)N=Nc2ccc(cc2)[As](=O)(O)O"	0	""	""	1	1	"224279"	"5425661"
"12825"	12825	"NCIMech_000116"	"Oc1c(Br)c(nc2ccccc12)c3ccccc3"	0	""	""	4	2	"224423"	"6639969"
"12865"	12865	"quinine, hydrobromide, hydrate"	"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1"	0	""	""	1	1	"11068"	NA
"12969"	12969	"c.i. 37511"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3"	0	NA	NA	1	1	"77552"	"5442400"
"13002"	13002	"win 1701"	"CN(C)c1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	"25926"	"13365383"
"13003"	13003	"wln: t c666 bnj eo1 fo1 im1yq1n2&2 mnw &gh 2"	"CCN(CC)CC(O)CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-]"	0	NA	NA	1	1	"540400"	"73972506"
"13006"	13006	"ethanol, 2-[(2-[(2-methoxy-9-acridinyl)amino]ethyl)amino..."	"COc1ccc2nc3ccccc3c(NCCNCCO)c2c1"	0	""	""	2	2	"24181963"	"38915785"
"13051"	13051	"4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol"	"COc1ccc2nc3cc(Cl)ccc3c(Nc4cc(C(C)C)c(O)cc4C)c2c1"	0	""	""	2	1	"224524"	"5427554"
"13052"	13052	""	"CCN(CC)CCCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	NA	NA	2	2	"77607"	"5418597"
"13055"	13055	"TCMDC-142279"	"CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"	0	""	""	1	1	"459702"	"5427587"
"13119"	13119	"l-trp"	"NC(Cc1c[nH]c2ccccc12)C(=O)O"	0	NA	NA	5	3	"77648"	"73223"
"13128"	13128	"nicota"	"NC(=O)c1cccnc1"	0	NA	NA	1	1	"77656"	"98920"
"13151"	13151	"J-501875"	"Oc1ccc(cc1)C(=O)\C=C\c2ccccc2Cl"	0	""	""	2	2	"5354553"	"5424022"
"13162"	13162	"Cadmium;4-chlorobenzenesulfonic acid"	"[Cd+2].OS(=O)(=O)c1ccc(Cl)cc1"	0	""	""	1	1	"54603804"	"5424975"
"13204"	13204	"AK-38589"	"Nc1nnc2cc(Cl)ccc2n1"	0	""	""	1	1	"95001"	"5423530"
"13239"	13239	"NCI-13239"	"CCCCNc1c(CN)cnc2cc(Cl)ccc12"	0	""	""	1	1	"224604"	"5423723"
"13248"	13248	""	"CCN1CCC(CC1)Nc2ccnc3cc(Cl)ccc23"	0	NA	NA	1	1	"77746"	"5423767"
"13275"	13275	"5,6-dimethoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine;hydroiodide"	"COc1cc(NCCC2CCCCN2)c3ncccc3c1OC"	0	""	""	1	1	"24182013"	"5428604"
"13300"	13300	""	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(OC)cc3"	0	NA	NA	1	1	"77783"	"5418600"
"13307"	13307	"9-phenanthrenemethanol, 6-bromo-.alpha.-[(diheptylamino)..."	"CCCCCCCN(CCCCCCC)CC(O)c1cc2ccccc2c3cc(Br)ccc13"	0	""	""	1	1	"45049470"	"23257536"
"13314"	13314	""	"COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC"	0	NA	NA	1	1	"77787"	"5428795"
"13316"	13316	"(2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol"	"OC(C1CCCCN1)c2cc(nc3ccccc23)c4ccc(Cl)cc4"	0	""	""	2	1	"224644"	"5428808"
"13317"	13317	"N-[(7-Chloro-2-phenylquinolin-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;sulfuric acid"	"CCN(CC)CCCNCc1cc(nc2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	"54609285"	"5428819"
"13318"	13318	"N',N'-Diethyl-N-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine;sulfuric acid"	"CCN(CC)CCCNCc1cc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	"54602013"	"5428820"
"13378"	13378	""	"COc1cc(NCCC2CCCCN2)c3ncccc3c1"	0	NA	NA	2	2	"540517"	"5429254"
"13380"	13380	"2-(6-methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole"	"COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1"	0	""	""	2	2	"224687"	"5429265"
"13397"	13397	"Triamcinolone"	"C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO"	0	""	"FDA approved"	1	1	"31307"	"124947"
"13477"	13477	"4-N-(7-chloro-3-phenylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydroiodide"	"CCN(CC)CCCC(C)Nc1c(cnc2cc(Cl)ccc12)c3ccccc3"	0	""	""	2	1	"24182056"	"5431038"
"13479"	13479	"1-N,1-N-diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12"	0	""	""	1	1	"224741"	"5431050"
"13480"	13480	""	"OC(C1CCCCN1)c2cc(nc3c2ccc4ccccc34)c5ccccc5"	0	NA	NA	2	1	"540538"	NA
"13483"	13483	"A821143"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12"	0	""	""	1	1	"224743"	"5431083"
"13484"	13484	"1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine"	"CCN(CC)CCCC(C)Nc1cc(nc2cc(OC)ccc12)c3ccccc3"	0	""	""	1	1	"498042"	"5431094"
"13502"	13502	"echinomycin"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c3cnc4ccccc4n3)NC(=O)c5cnc6ccccc6n5"	0	""	""	2	1	"3197"	NA
"13597"	13597	""	"OC(=O)CSc1cc(nc2ccccc12)c3ccccc3"	0	NA	NA	1	1	"540565"	"5443038"
"13598"	13598	"7-Chloro-N-[2-[2-(diethylamino)ethylsulfonyl]ethyl]quinolin-4-amine;phosphoric acid"	"CCN(CC)CCS(=O)(=O)CCNc1ccnc2cc(Cl)ccc12"	0	""	""	2	2	"54603830"	"5433261"
"13616"	13616	"2-n-cyclohexyl-1-n-(6-methoxyquinolin-8-yl)butane-1,2-di..."	"CCC(CNc1cc(OC)cc2cccnc12)NC3CCCCC3"	0	""	""	1	1	"224810"	"5431629"
"13625"	13625	"4-[(Z)-2-(4,6-dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline"	"CCN(CC)c1ccc(\C=C\c2cc(C)c3cc(C)ccc3n2)cc1"	0	""	""	1	1	"54605076"	"5431696"
"13628"	13628	"N-(4-benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine"	"CCN(CC)CCCNc1cccc2c(SCc3ccccc3)ccnc12"	0	""	""	1	1	"224815"	"5431710"
"13699"	13699	"Petcm"	"OC(Cc1ccncc1)C(Cl)(Cl)Cl"	0	""	""	1	1	"224859"	"10129563"
"13713"	13713	""	"CCN(CC)CCCNc1cc(OC)c(OC)c2cccnc12"	0	NA	NA	1	1	"540594"	NA
"13724"	13724	"N-(7-chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	1	1	"224873"	"5442706"
"13801"	13801	"2-mercapto-o-acetanisidide, carbamate"	"COc1ccccc1NC(=O)CSC(=O)N"	0	""	""	1	1	"224935"	"7451607"
"13831"	13831	"Probes1_000354"	"Cn1c(Sc2ccc(c3cccnc3)n2C)ccc1c4cccnc4"	0	""	""	2	1	"224958"	NA
"13835"	13835	"1-Tetradecylpyridin-1-ium-3-carboxamide;bromide"	"CCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N"	0	""	""	2	2	"24182122"	"5442842"
"13973"	13973	"basic yellow k"	"Cc1cc2cc3cc(C)c(N)cc3nc2cc1N"	0	NA	NA	2	2	"540666"	"135499"
"13977"	13977	"alizarin blue s"	"OC1(C2N=CC=CC2C3=C(C(=O)c4ccccc4C3=O)C1(O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	"540667"	NA
"13981"	13981	"5-benzamido-1-aminoanthraquinone"	"Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12"	0	""	""	2	2	"67011"	"117066"
"13984"	13984	"SC-33007"	"Oc1c(ccc2ccccc12)C(O)(c3ccccc3)c4ccc5ccccc5c4O"	0	""	""	2	1	"224978"	NA
"13986"	13986	"janus green v"	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)N=Nc5ccc(cc5)N(C)C"	0	""	""	2	2	"76123"	"2869832"
"14006"	14006	""	"COc1ccccc1\C=C(\C)/[N+](=O)[O-]"	0	NA	NA	1	1	"78263"	"6306349"
"14009"	14009	"2,4-dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene"	"CC\C(=C/c1ccc(OC)cc1OC)\[N+](=O)[O-]"	0	""	""	1	1	"49791635"	"15804838"
"14022"	14022	"Bis(methylthio)maleonitrile"	"CS\C(=C(\SC)/C#N)\C#N"	0	""	""	1	1	"5929688"	"7373026"
"14034"	14034	"IMKHPTXYFMGMDE-UHFFFAOYSA-N"	"[O-][N+](=O)c1ccc(C=C2C(=C(Cl)C(=C2Cl)Cl)Cl)cc1"	0	""	""	1	1	"225001"	"63161035"
"14040"	14040	"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)C2=NON3OC23C(=O)c4ccc(OC)cc4"	0	""	""	2	2	"225006"	NA
"14050"	14050	"arolen"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12"	0	NA	NA	2	1	"78301"	"50635"
"14071"	14071	"ethanol, 2-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]pr..."	"COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCO)c2c1"	0	NA	NA	1	1	"540688"	"38915183"
"14073"	14073	"1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride"	"COc1ccc2nc3ccccc3c(NCCNCC(C)O)c2c1"	0	""	""	1	1	"54609322"	NA
"14079"	14079	"acridine, 9-[(4-diethylamino-1-methylbutyl)amino]-2-meth..."	"CCN(CC)CCCC(C)Nc1c2ccc(C)cc2nc3ccc(OC)cc13"	0	""	""	1	1	"54602016"	NA
"14186"	14186	"Maybridge1_003613"	"OC(=O)CSc1nc2ccccc2[nH]1"	0	""	""	1	1	"137805"	"3042000"
"14229"	14229	"Acrichine"	"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13"	0	"Db|AP"	"FDA approved"	2	2	"-1"	"69056"
"14380"	14380	"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione"	"CC(C)COc1nc2N(C)C(=O)N(C)C(=O)c2n1C"	0	""	""	1	1	"225223"	"5438766"
"14548"	14548	"Benzylidenanthron"	"O=C1c2ccccc2C(=Cc3ccccc3)c4ccccc14"	0	""	""	1	1	"225328"	"14343921"
"14657"	14657	"1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride"	"COc1cc2nc3cc(ccc3c(NCCCNCC(C)(C)O)c2cc1OC)[N+](=O)[O-]"	0	""	""	1	1	"24182209"	NA
"14659"	14659	"3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride"	"COc1ccc2nc3cc(Cl)ccc3c(NCCNCC(O)CO)c2c1"	0	""	""	1	1	"24182211"	NA
"14666"	14666	"adenin"	"Nc1ncnc2nc[nH]c12"	0	NA	NA	5	3	"540768"	"73245"
"14711"	14711	""	"COc1cc(CN2CCCCC2)cc3C=C(C(=O)O)C(=O)Oc13"	0	NA	NA	3	1	"540771"	NA
"14741"	14741	"8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride"	"CC(C)NCCCCCNc1cc(O)cc2cccnc12"	0	""	""	2	2	"54605112"	NA
"14864"	14864	"ceprim"	"CCCCCCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	1	1	"540790"	"123035"
"14973"	14973	"n-(p-carboxyphenyl)glycine"	"OC(=O)CNc1ccc(cc1)C(=O)O"	0	""	""	2	1	"225483"	"5698544"
"14974"	14974	"Glaucarubol"	"CC1C(O)C2(O)OCC34C(CC5C(=CC(O)C(O)C5(C)C23)C)OC(=O)C(O)C14"	0	""	""	5	2	"225484"	"1448222"
"14975"	14975	"glarubin"	"CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=C[C@H](O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	5	4	"78962"	"1448233"
"14977"	14977	"9-Hydrazinoacridinhydrochlorid"	"NNc1c2ccccc2nc3ccccc13"	0	""	""	1	1	"54609366"	NA
"15013"	15013	"anqi"	"NC1=CC(=N)c2ccccc2C1=O"	0	NA	NA	2	1	"540851"	"5438857"
"15078"	15078	"malononitrile, (.beta.-pentylcinnamylidene)-"	"CCCCC\C(=C\c1ccccc1)\C=C(C#N)C#N"	0	""	""	2	1	"6271803"	NA
"15193"	15193	"ba 2758"	"OCC(O)C(O)C(O)CC=O"	0	NA	NA	1	1	"79125"	"154176"
"15200"	15200	"gallium nitrate"	"[Ga+3].O[N+](=O)[O-]"	0	NA	NA	10	6	"540896"	"13494901"
"15309"	15309	"phlorone"	"CC1=CC(=O)C(=CC1=O)C"	0	NA	NA	5	4	"79218"	"137188"
"15372"	15372	"p-oxinozon"	"Oc1ccc(Nc2ccc3ccccc3c2)cc1"	0	NA	NA	1	1	"79275"	"93458"
"15609"	15609	"gluconic acid, cyclic antimonate(iii), sodium salt"	"OCC1O[Sb](O)OC1C(O)C(O)C(=O)O"	0	""	""	2	2	"24182331"	NA
"15623"	15623	""	"Cc1ccc(cc1)[Sb]2(O)(O)OC(CO)C(O2)C(O)C(O)C(=O)O"	0	NA	NA	1	1	"540991"	NA
"15628"	15628	"rozex"	"CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6"	0	""	"FDA approved"	1	1	"5280954"	"24815245"
"15785"	15785	""	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	1	1	"79574"	"1222613"
"15791"	15791	"thioxanthen-9-one, 4-methyl-1-(2-piperidinoethylamino)-,..."	"Cc1ccc(NCCN2CCCCC2)c3C(=O)c4ccccc4Sc13"	0	""	""	1	1	"21144135"	NA
"15795"	15795	"6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride"	"CCN(CCNc1ccc(C)c2Sc3cc(Cl)ccc3C(=O)c12)CC(C)(C)O"	0	""	""	1	1	"24182355"	NA
"15812"	15812	"N,N-dihexylquinoline-4-carboximidamide"	"CCCCCCN(CCCCCC)C(=N)c1ccnc2ccccc12"	0	""	""	1	1	"408791"	NA
"15813"	15813	"(Z)-5-[benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one"	"CN(CCC(=O)\C(=C/c1ccccc1)\c2ccc(Cl)cc2)Cc3ccccc3"	0	""	""	1	1	"5897951"	"5447563"
"15830"	15830	"dcvc"	"N[C@@H](CS\C(=C/Cl)\Cl)C(=O)O"	0	NA	NA	2	2	"541024"	"13419460"
"15886"	15886	"Q2806562"	"[O-][N+](=O)c1cc(Cl)c2[nH]c3c(Cl)cc(cc3c2c1)[N+](=O)[O-]"	0	""	""	2	2	"225968"	NA
"15975"	15975	"light orange r"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	"18981"	"3468631"
"16034"	16034	"CBDivE_011978"	"Cc1ccc(NSc2ccccc2[N+](=O)[O-])cc1"	0	""	""	2	2	"226033"	"4837325"
"16116"	16116	"Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide"	"C[N+](C)(C)CCN(Cc1cccs1)c2ccccn2"	0	""	""	1	1	"5351669"	NA
"16165"	16165	"azure c (van)"	"CNc1ccc2nc3ccc(N)cc3[s+]c2c1"	0	""	""	1	1	"135421845"	"531577"
"16166"	16166	"azure b bromide"	"CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	""	2	2	"13797451"	"7508409"
"16219"	16219	"OAM5T44TSB"	"CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)N(c5ccccc5)c2c1"	0	""	""	1	1	"226107"	"82014220"
"16222"	16222	"phenazinium (8ci), 3-(diethylamino)-7-[(2-hydroxy-1-naph..."	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)N=Nc5c(O)ccc6ccccc56"	0	""	""	1	1	"135421850"	"4569840"
"16239"	16239	"p-anisylchloromercury"	"COc1ccc([Hg]Cl)cc1"	0	""	""	1	1	"408835"	"3009798"
"16258"	16258	"2-Nitro-1-phenylpropan-1-ol"	"CC(C(O)c1ccccc1)[N+](=O)[O-]"	0	""	""	1	1	"226118"	"6343573"
"16520"	16520	"N,N-diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline"	"CCN(CC)c1ccc(\C=C\c2cc(C)c3ccccc3n2)cc1"	0	""	""	1	1	"5912102"	NA
"16685"	16685	""	"C\C(=C/c1ccc2OCOc2c1)\[N+](=O)[O-]"	0	NA	NA	1	1	"80198"	"5438415"
"16729"	16729	"(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid"	"COc1cc(\C=C/C(=O)O)ccc1OCc2ccccc2"	0	""	""	1	1	"5354670"	"7152956"
"16865"	16865	""	"OCC(S)CS"	0	NA	NA	1	1	"541179"	NA
"16876"	16876	""	"O=C(CSCC(=O)N\N=C\c1ccccc1)N\N=C\c2ccccc2"	0	NA	NA	1	1	"80372"	"15054601"
"17061"	17061	"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol"	"COc1ccc(\C=N\c2c(O)ccc3ccccc23)cc1OC"	0	""	""	1	1	"226514"	"7250002"
"17065"	17065	"(2-Benzamidophenyl) benzoate"	"O=C(Nc1ccccc1OC(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	"226518"	"6296599"
"17245"	17245	"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)C5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	""	1	1	"226609"	NA
"17257"	17257	"actidione, benzoylacetate"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c3ccccc3"	0	""	""	2	2	"226619"	NA
"17273"	17273	"Propyl quinacrine mustard"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCl)CCCl)c2c1"	0	NA	NA	3	2	"541256"	"10072272"
"17275"	17275	"2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride"	"Oc1c(CC=C)cc(cc1CN(CCCl)CCCl)c2cc(CC=C)c(O)c(CN(CCCl)CCCl)c2"	0	""	""	3	2	"24182498"	NA
"17473"	17473	"siquil"	"CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F"	0	NA	NA	1	1	"541291"	"1098608"
"17551"	17551	"1,3-propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- ph..."	"Cc1cc(C)c(C(=O)CC(=O)c2cccnc2)c(C)c1"	0	""	""	1	1	"226783"	NA
"17647"	17647	"oxalic acid;N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-amine"	"CC(CCC1=C(C)CCCC1(C)C)NCc2ccc(OCCCN3CCCCC3)cc2"	0	NA	NA	1	1	"80906"	NA
"17652"	17652	"N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6-trimethylcyclohex-1-enyl)butan-2-amine dioxalate"	"CC(CCC1=C(C)CCCC1(C)C)N(C)Cc2ccc(OCCCN3CCCC3)cc2"	0	NA	NA	1	1	"80910"	NA
"17744"	17744	"4,4-Dimethyl-2-pentadecyl-1-(propan-2-yl)-4,5-dihydro-1h-imidazole"	"CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C"	0	""	""	1	1	"226857"	NA
"17759"	17759	"1-[2-[(E)-heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol"	"CCCCCCCC\C=C\CCCCCCCC1=NC(C)(C)CN1CC(C)O"	0	""	""	2	1	"5354710"	NA
"17762"	17762	"2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol"	"CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO"	0	""	""	1	1	"226869"	NA
"18286"	18286	"1-Ethoxy-5-fluoro-2,4-dinitrobenzene"	"CCOc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"227098"	NA
"18298"	18298	""	"CC1=CC2=[N+]3C1=Cc4cc(C)c5C=C6C(=C(CCC(=O)O)C7=[N+]6[Cu+2]3([nH-]45)[NH-]8C(=C2)C(=C(CCC(=O)O)C8=C7)C)C"	0	NA	NA	4	2	"81406"	NA
"18300"	18300	""	"CC1=CC2=[N+]3C1=Cc4cc(C)c5C=C6C(=C(CCC(=O)O)C7=[N+]6[Pd+2]3([nH-]45)[NH-]8C(=C2)C(=C(CCC(=O)O)C8=C7)C)C"	0	NA	NA	3	2	"81407"	NA
"18335"	18335	"cinerubin b"	"CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)ccc(O)c8C(=O)c7cc6C1C(=O)OC"	0	NA	NA	3	1	"541409"	"35906515"
"18451"	18451	"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-"	"Brc1ccc(CN(Cc2ccc(Br)cc2)c3ccc4c(c3)C(=O)c5ccccc45)cc1"	0	""	""	1	1	"227150"	NA
"18460"	18460	"n-(7-Nitro-9h-fluoren-2-yl)formamide"	"[O-][N+](=O)c1ccc2c(Cc3cc(NC=O)ccc23)c1"	0	""	""	2	2	"227158"	"6583717"
"18613"	18613	"trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide"	"C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc12"	0	""	""	1	1	"5351688"	NA
"18719"	18719	""	"OCC(O)C(O)C(O)C(O)c1nc2cc(Cl)ccc2[nH]1"	0	NA	NA	1	1	"81731"	"7256179"
"18727"	18727	""	"O=C1CCCCC1CN2CCCCC2"	0	NA	NA	1	1	"541477"	"6966092"
"18758"	18758	"2,2'-Biphenyl-4,4'-diyldiguanidine sulfate(1:1)"	"NC(=N)Nc1ccc(cc1)c2ccc(NC(=N)N)cc2"	0	""	""	2	2	"227281"	"6966252"
"18804"	18804	"hinokitol"	"CC(C)C1=CC=CC(=O)C(=C1)O"	0	""	""	2	1	"3611"	"499445"
"18805"	18805	"thujaplicin, alpha"	"CC(C)C1=CC=C(O)C(=O)C=C1"	0	NA	NA	3	2	"81804"	"672764"
"18877"	18877	"3,4-di(benzo[b]thiophene-3-carbonyl)-1,2,5-oxadiazole 2-..."	"[O-][n+]1onc(C(=O)c2csc3ccccc23)c1C(=O)c4csc5ccccc45"	0	""	""	2	2	"227331"	"7146330"
"18880"	18880	"Phenoxathiine-4-carbohydrazide"	"NNC(=O)c1cccc2Sc3ccccc3Oc12"	0	""	""	1	1	"227334"	"5453758"
"18883"	18883	"2-(12H-benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	"CCN(CC)CCN1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	1	"227337"	NA
"18891"	18891	"NCIMech_000665"	"CN(C)CCCN1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	1	"227345"	"5453770"
"18894"	18894	"valerolactim"	"O=C1CCCCN1"	0	NA	NA	5	1	"81850"	"675207"
"19048"	19048	"racemic gossypol, acetate salt"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	4	1	"81992"	"5453043"
"19139"	19139	"A842338"	"Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12"	0	""	""	1	1	"227530"	"6958867"
"19147"	19147	"2-chloro-n-phenethyl-9-phenyl-9h-purin-6-amine, hydrochl..."	"Clc1nc(NCCc2ccccc2)c3ncn(c4ccccc4)c3n1"	0	NA	NA	1	1	"541525"	"5444724"
"19441"	19441	"fda 0283"	"Cc1ccccc1c2nc3c(N)nc(N)nc3nc2N"	0	""	""	1	1	"95122"	"2853692"
"19502"	19502	"[5-(Acetyloxymethyl)furan-2-yl]-chloromercury"	"CC(=O)OCc1oc([Hg]Cl)cc1"	0	NA	NA	1	1	"541563"	NA
"19509"	19509	"yohimbine"	"COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12"	0	NA	NA	2	1	"541567"	"65190"
"19630"	19630	"(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate"	"CCC(=O)OCN1C(=O)C=CC1=O"	0	""	""	2	2	"227681"	"72835268"
"19637"	19637	"2-(m-Nitrostyryl)pyridine"	"[O-][N+](=O)c1cccc(\C=C\c2ccccn2)c1"	0	NA	NA	1	1	"82482"	"5425741"
"19639"	19639	"m-dimaleimidobenzene"	"O=C1C=CC(=O)N1c2cccc(c2)N3C(=O)C=CC3=O"	0	""	""	1	1	"18156"	"3006937"
"19645"	19645	"nitrochin"	"[O-][N+](=O)c1cc[n+]([O-])c2ccccc12"	0	""	""	2	2	"5955"	"56575"
"19646"	19646	"2-Methyl-4-nitroquinoline 1-oxide"	"Cc1cc(c2ccccc2[n+]1[O-])[N+](=O)[O-]"	0	NA	NA	2	2	"541576"	"4831623"
"19727"	19727	"A818196"	"Cc1c(C)[n+]([O-])c(C)c(C)[n+]1[O-]"	0	""	""	1	1	"227746"	"22978843"
"19728"	19728	"[(E)-(4-hexoxyphenyl)methylideneamino]thiourea"	"CCCCCCOc1ccc(\C=N\NC(=S)N)cc1"	0	""	""	2	2	"9555790"	NA
"19760"	19760	"N-Phthaloyl-Phe-OH"	"OC(=O)C(Cc1ccccc1)N2C(=O)c3ccccc3C2=O"	0	""	""	1	1	"227754"	"3588645"
"19781"	19781	"Phenol, 4,4'-(1,6-hexanediyl)bis-"	"Oc1ccc(CCCCCCc2ccc(O)cc2)cc1"	0	""	""	2	2	"90481"	"3682959"
"19802"	19802	"Rhamnetin"	"COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O"	0	""	""	1	1	"5281691"	"90197"
"19893"	19893	"Fluorouracil"	"FC1=CNC(=O)NC1=O"	0	"Ds|Rs|TYMS"	"FDA approved"	1891	253	"-1"	"51218"
"19912"	19912	"Cryptopleurine"	"COc1ccc2c3CN4CCCC[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1"	0	""	""	8	1	"92765"	"482224"
"19942"	19942	"Tenulin"	"C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@@]4(C)[C@H]1C=CC4=O"	0	""	""	1	1	"227830"	"55780228"
"19976"	19976	"10-(3-(1-azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine"	"Clc1ccc2Sc3ccccc3N(CCCN4CCCC45CCCCC5)c2c1"	0	""	""	2	2	"227840"	NA
"19987"	19987	"Methylprednisolone"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14"	0	"NonCan:Anti-inflammatory"	"FDA approved"	1	1	"6741"	"83432"
"19990"	19990	"streptovaricin c"	"COC(=O)C1C(O)C(C)C(O)C(C)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\C(C)(O)C(O)C(C)C1O)\C"	0	NA	NA	1	1	"82709"	"23344174"
"20000"	20000	"agrosol"	"C[Hg]NC(=N)NC#N"	0	NA	NA	1	1	"541693"	"502396"
"20200"	20200	"Benzethonium Chloride"	"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	NA	NA	2	2	"541724"	"121540"
"20207"	20207	""	"C(Cc1ccncc1)SCc2ccccc2"	0	NA	NA	1	1	"541729"	"21181919"
"20256"	20256	"uridin"	"OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O"	0	""	"FDA approved"	1	1	"-1"	"58968"
"20514"	20514	"NCIMech_000725"	"CCCCOCc1cc(CN2CCN(C)CC2)c(O)c3ncccc13"	0	""	""	1	1	"227994"	NA
"20527"	20527	"dibask"	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2"	0	NA	NA	2	1	"83122"	"87127"
"20534"	20534	"thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]eth..."	"CCN(CCO)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12"	0	NA	NA	3	1	"541768"	NA
"20535"	20535	"1-[3-(Diethylamino)propylamino]-4-methylthioxanthen-9-one;hydrochloride"	"CCN(CC)CCCNc1ccc(C)c2Sc3ccccc3C(=O)c12"	0	NA	NA	1	1	"541769"	NA
"20644"	20644	"1,2,3-Tribenzylguanidine"	"C(NC(=NCc1ccccc1)NCc2ccccc2)c3ccccc3"	0	""	""	1	1	"33144"	"5440982"
"20909"	20909	"isothan"	"CCCCCCCCCCCC[n+]1ccc2ccccc2c1"	0	NA	NA	2	2	"541835"	"93232"
"21061"	21061	"cresol"	"Cc1ccc(O)cc1.Cc2cccc(O)c2.Cc3ccccc3O"	0	""	""	1	1	"24693"	NA
"21075"	21075	"Pilocereine"	"COc1cc2CCN(C)C(CC(C)C)c2c(Oc3c(OC)cc4CCN(C)C(CC(C)C)c4c3Oc5cc6C(CC(C)C)N(C)CCc6cc5OC)c1O"	0	NA	NA	5	2	"83542"	"2552478"
"21206"	21206	"6-Aminonicotinamide"	"NC(=O)c1ccc(N)nc1"	0	""	""	2	2	"9500"	"329895"
"21276"	21276	"2,6-dinitrochlorobenzene"	"[O-][N+](=O)c1cccc(c1Cl)[N+](=O)[O-]"	0	NA	NA	1	1	"83677"	"606213"
"21356"	21356	"N,N-bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide"	"O=NN(CC(=O)NNc1ccccc1)CC(=O)NNc2ccccc2"	0	""	""	2	2	"228424"	"7155397"
"21434"	21434	"ALBB-007622"	"Cc1ccc(C)c2c(CC(=O)O)c(C)[nH]c12"	0	""	""	1	1	"228480"	"5435438"
"21518"	21518	"2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol"	"CC(C)c1cc(CN(C)C)c(O)c(c1)C(C)(C)C"	0	""	""	1	1	"228534"	"6936443"
"21531"	21531	"9-Chloro-9-(4-methoxyphenyl)-10-phenyl-9,10-dihydroacridine"	"COc1ccc(cc1)C2(Cl)c3ccccc3N(c4ccccc4)c5ccccc25"	0	NA	NA	1	1	"83880"	"5456586"
"21545"	21545	"methanesulfonothioic acid, s-methyl ester (9ci)"	"CSS(=O)(=O)C"	0	""	""	1	1	"18064"	"2949920"
"21548"	21548	"dthyd"	"CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O"	0	NA	NA	14	9	"83895"	"50895"
"21588"	21588	"A805455"	"CC(CCC(=O)O)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2"	0	""	""	1	1	"228569"	"16733292"
"21622"	21622	"5-(morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one"	"C\C(=N\N1CC(CN2CCOCC2)OC1=O)\C=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"5922444"	NA
"21662"	21662	"2-Bromophenazine 5,10-dioxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3cc(Br)ccc13"	0	""	""	1	1	"228612"	"6975742"
"21666"	21666	"Phenazine di-N-oxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3ccccc13"	0	""	""	1	1	"228615"	"303833"
"21669"	21669	"2-Methoxyphenazine, 5,10-dioxide"	"COc1ccc2c(c1)[n+]([O-])c3ccccc3[n+]2[O-]"	0	NA	NA	1	1	"83980"	"303786"
"21681"	21681	"STL437892"	"COc1ccc(cc1)N=Nc2c(N)nn(C)c2N"	0	""	""	1	1	"228622"	"5460435"
"21683"	21683	"STL437902"	"Cc1ccc(cc1)N=Nc2c(N)nn(c2N)c3ccccc3"	0	""	""	2	2	"228624"	"5456928"
"21702"	21702	""	"CC(C)CNc1nc2ncnc(N)c2[nH]1"	0	NA	NA	1	1	"541963"	NA
"21715"	21715	"Trichloromethyl(4-chlorophenyl) sulfone"	"Clc1ccc(cc1)S(=O)(=O)C(Cl)(Cl)Cl"	0	""	""	2	2	"228635"	NA
"21728"	21728	"sempervirine, nitrate"	"C1CCc2cn3ccc4c5ccccc5nc4c3cc2C1"	0	""	""	1	1	"5351497"	"5436464"
"21914"	21914	"3,4-Benzpyrene"	"c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45"	0	""	""	2	2	"2336"	"50328"
"21970"	21970	"L-alpha-Aminobutyric Acid"	"Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25"	0	""	""	3	2	"1674"	"56495"
"22070"	22070	"pyrethrosin"	"CC(=O)OC1\C=C(/C)\CCC2OC2(C)CC3OC(=O)C(=C)C13"	0	NA	NA	3	3	"541984"	"28272186"
"22201"	22201	"pimm"	"ClC1=C(Cl)C2(Cl)C3C(C(=O)N([Hg]c4ccccc4)C3=O)C1(Cl)C2(Cl)Cl"	0	""	""	1	1	"110719"	"5834811"
"22225"	22225	"Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid"	"OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl"	0	""	""	2	2	"5351702"	NA
"22227"	22227	"(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-thiophen-2-ylmercury"	"ClC1=C(Cl)C2(Cl)C3C(C(=O)N([Hg]c4cccs4)C3=O)C1(Cl)C2(Cl)Cl"	0	NA	NA	2	2	"542031"	NA
"22323"	22323	"tributylchlorotin"	"CCCC[Sn](Cl)(CCCC)CCCC"	0	""	""	1	1	"15096"	"1461229"
"22348"	22348	"1h-naphth[2,3-d]imidazole-4,9-dione, 1-(4-bromophenyl)-2..."	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1c4ccc(Br)cc4"	0	""	""	2	2	"229013"	"93657411"
"22600"	22600	"Anisole, 2-(benzyloxy)-5-(2-nitrovinyl)-"	"COc1cc(\C=C/[N+](=O)[O-])ccc1OCc2ccccc2"	0	NA	NA	1	1	"84737"	"1860566"
"22709"	22709	"ae 200"	"O=C1N=CNc2nn[nH]c12"	0	""	""	3	3	"135410720"	"2683901"
"22842"	22842	"cumostrol"	"Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1"	0	""	""	5	3	"5281707"	"479130"
"22945"	22945	"wln: wnr cg dg fnw"	"[O-][N+](=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]"	0	""	""	1	1	"80565"	"6306394"
"22984"	22984	""	"COc1ccccc1\C=C(\C)/[N+](=O)[O-]"	0	NA	NA	1	1	"84981"	"6306349"
"22994"	22994	"2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride"	"CCCCCCCCCCC(C[N+](C)(C)C\C=C\c1ccccc1)C(O)c2ccccc2"	0	""	""	1	1	"24183021"	"7146181"
"23159"	23159	"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate"	"COC(=O)CCC(C)C1CCC2C3CCC4CC5CCC4(C)C3(O5)C(Br)C(Br)C12C"	0	""	""	1	1	"229453"	"23405110"
"23162"	23162	"Nandrolone Phenpropionate"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5"	0	"Ho|NonCan:Ste"	"FDA approved"	2	2	"-1"	"62908"
"23173"	23173	"4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid"	"CC(=O)Nc1ccc2c(c1)\C(=N\c3ccc(cc3)C(=O)O)\c4ccccc24"	0	""	""	1	1	"229459"	"5454411"
"23297"	23297	"N-(3-methylphenyl)-2,4,7-trinitrofluoren-9-imine"	"Cc1cccc(c1)\N=C/2\c3cc(ccc3c4c2cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"229543"	"5455094"
"23345"	23345	"ptsm"	"CNC(=S)N\N=C\C(=N\NC(=S)NC)\C"	0	""	""	1	1	"9552058"	"673687"
"23416"	23416	"29D9UWI50A"	"COc1ccc(\C=C(/C#N)\c2ccc(OC)cc2)cc1"	0	""	""	1	1	"5716814"	"6443749"
"23418"	23418	"3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride"	"OC(CCNCc1ccccc1)c2ccc3ccccc3c2"	0	""	""	1	1	"54603596"	"5455696"
"23477"	23477	"1,2-dichloro-4-[(E)-2-nitrobut-1-enyl]benzene"	"CC\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	""	""	1	1	"5355002"	"15873399"
"23615"	23615	"deoxyuridine"	"OCC1OC(CC1O)N2C=CC(=O)NC2=O"	0	NA	NA	2	1	"85466"	"951780"
"23676"	23676	"N,N'-(p-Phenylenedimethylene)bis(2-chloro-N-isopropylacetamide)"	"CC(C)N(Cc1ccc(CN(C(C)C)C(=O)CCl)cc1)C(=O)CCl"	0	NA	NA	1	1	"85478"	NA
"23759"	23759	"Testolactone"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2"	0	"Ho"	"FDA approved"	54	3	"-1"	"968934"
"23766"	23766	"6-n-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimi..."	"CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1"	0	NA	NA	1	1	"542316"	NA
"23833"	23833	"1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid"	"Cc1ccc(cc1)S(=O)ON2CCC(CC2)(C(=O)O)c3ccccc3"	0	""	""	2	1	"229831"	NA
"23856"	23856	"4-Methoxy-"	"COc1ccc(\C=C\[N+](=O)[O-])cc1"	0	""	""	1	1	"697963"	"3179100"
"23863"	23863	""	"C\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	NA	NA	1	1	"85627"	"6974465"
"23904"	23904	""	"CN1CCCC(C1)C(=O)OCC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C"	0	NA	NA	2	2	"542334"	NA
"23925"	23925	""	"COc1ccc(cc1)c2cc(C(O)C3CCCCN3)c4ccccc4n2"	0	NA	NA	2	1	"542343"	NA
"23936"	23936	"(4Z)-4-[(4-nitrophenyl)hydrazinylidene]pentanoic acid"	"C\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\CCC(=O)O"	0	""	""	1	1	"6369925"	"1568485"
"23994"	23994	"Butyl maleurate"	"CCCCOC(=O)\C=C/C(=O)NC(=O)N"	0	""	""	1	1	"5355031"	"140987"
"24030"	24030	"1,4-benzenediamine (9ci), n-butyl-n'-phenyl-"	"CCCCNc1ccc(Nc2ccccc2)cc1"	0	""	""	1	1	"229938"	"15464990"
"24037"	24037	"n-(9-(4-(trimethylamino)benzylidene)-9h-fluoren-2-yl)ace..."	"CC(=O)Nc1ccc2c3ccccc3\C(=C\c4ccc(cc4)[N+](C)(C)C)\c2c1"	0	""	""	1	1	"5351711"	NA
"24047"	24047	""	"CN(CCc1ccccn1)c2ccc3c(Cc4ccccc34)c2"	0	NA	NA	1	1	"542356"	NA
"24076"	24076	""	"[Na+].CCN(CC)COC(=S)S"	0	NA	NA	2	2	"542360"	NA
"24113"	24113	"NCIMech_000745"	"CN(C)CCCN1c2ccc3ccccc3c2Sc4cccc(Cl)c14"	0	""	""	2	1	"229969"	"5459314"
"24189"	24189	"8455AB"	"[O-][N+](=O)c1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1"	0	""	""	1	1	"1549990"	"7152752"
"24500"	24500	"2,6-Dimethoxyquinone"	"COC1=CC(=O)C=C(OC)C1=O"	0	NA	NA	5	4	"85942"	"530552"
"24559"	24559	"Mithramycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	"Db|Rs"	"FDA approved"	28	14	"-1"	"18378897"
"24692"	24692	"2,4,7-Tribromotropone"	"BrC1=CC=C(Br)C(=O)C(=C1)Br"	0	""	""	2	2	"230132"	"29798821"
"24799"	24799	"2,3-Dichloro-1,3-diphenylpropan-1-one"	"ClC(C(Cl)c1ccccc1)C(=O)c2ccccc2"	0	NA	NA	1	1	"86145"	"16619560"
"24817"	24817	"peltatin a"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	6	2	"86162"	"568536"
"24818"	24818	"podophyllotoxin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	5	2	"86163"	"518285"
"24819"	24819	"peltatin b"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	11	3	"86164"	"518296"
"24871"	24871	"l-Arctigenin"	"COc1ccc(CC2COC(=O)C2Cc3ccc(O)c(OC)c3)cc1OC"	0	""	""	2	2	"230232"	NA
"24913"	24913	"TC-167793"	"CN(C)C(=S)SCc1ccccc1"	0	""	""	1	1	"81664"	"7250182"
"25028"	25028	"4-Amino-1,2-naphthoquinone"	"NC1=CC(=O)C(=O)c2ccccc12"	0	""	""	1	1	"72908"	"5460355"
"25154"	25154	"Pipobroman"	"BrCCC(=O)N1CCN(CC1)C(=O)CCBr"	0	"A7|AlkAg"	"FDA approved"	54	29	"-1"	"54911"
"25434"	25434	"1-benzoyl-6-methoxy-2H-quinoline-2-carbonitrile"	"COc1ccc2N(C(C=Cc2c1)C#N)C(=O)c3ccccc3"	0	NA	NA	2	2	"86614"	"6334312"
"25454"	25454	"Isoquinolin-1-yl(4-methoxyphenyl)phenylmethanol"	"COc1ccc(cc1)C(O)(c2ccccc2)c3nccc4ccccc34"	0	""	""	1	1	"230510"	NA
"25463"	25463	"Rubremetinium chloride"	"CCC1C[N+]2=C(c3cc(OC)c(OC)cc3CC2)c4c1cc5c6cc(OC)c(OC)cc6CCn45"	0	NA	NA	1	1	"542528"	NA
"25485"	25485	"uabaina"	"CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O"	0	NA	NA	3	1	"86662"	"630604"
"25703"	25703	"1-(aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine"	"C(c1ccc(cc1)\N=C(\C(c2ccccc2)c3ccccc3)/N4CC4)c5ccc(cc5)\N=C(/C(c6ccccc6)c7ccccc7)\N8CC8"	0	""	""	1	1	"230621"	NA
"25818"	25818	"4-Chloro-3-nitrophenyl methyl sulfone"	"CS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"66796"	"97074"
"25830"	25830	"CBDivE_002081"	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"230690"	"742256"
"25846"	25846	"2-Nitrophenyl 2,4,6-trimethylbenzenesulfonate"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)Oc2ccccc2[N+](=O)[O-]"	0	""	""	2	2	"230706"	NA
"25861"	25861	"6-chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide"	"Cc1c(Cl)c(cc2c1N=CNS2(=O)=O)S(=O)(=O)N"	0	""	""	1	1	"5351722"	NA
"26037"	26037	"1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol"	"CN(C)CC(O)c1ccc(\C=C\c2ccc(Cl)cc2)cc1"	0	""	""	1	1	"5929908"	"7148007"
"26040"	26040	"1-piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-"	"OC(CN1CCCCC1)c2ccc(\C=C\c3ccc(Cl)cc3)cc2"	0	""	""	1	1	"5351150"	NA
"26045"	26045	"5,7-dichloroisatin"	"Clc1cc(Cl)c2NC(=O)C(=O)c2c1"	0	""	""	1	1	"80771"	"6374921"
"26074"	26074	"1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1)"	"CN(C)CC(O)c1ccc(Cl)c2ccccc12"	0	""	""	2	2	"230791"	"7355659"
"26081"	26081	""	"COc1ccc(C(=O)CCN(C)C)c2ccccc12"	0	NA	NA	2	2	"542658"	"5471090"
"26113"	26113	"[(E)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene"	"ClC1=C(Cl)C(=C\C=C\c2ccccc2)C(=C1Cl)Cl"	0	""	""	2	2	"5860626"	"61355199"
"26258"	26258	"cube"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C"	0	NA	NA	6	2	"87142"	"83794"
"26271"	26271	"Cyclophosphamide"	"ClCCN(CCCl)P1(=O)NCCCO1"	0	"A7|AlkAg"	"FDA approved"	54	3	"-1"	"6055192"
"26273"	26273	"6-Benzylthioinosine"	"OCC1OC(C(O)C1O)n2cnc3c(SCc4ccccc4)ncnc23"	0	""	""	2	2	"95263"	"6165033"
"26427"	26427	"5-Chlorocoumarin"	"Clc1cccc2OC(=O)C=Cc12"	0	""	""	1	1	"230978"	"38169981"
"26540"	26540	"2-methyl-4,5,6-trichloropyrimidine"	"Cc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	2	2	"231054"	"1780285"
"26647"	26647	"Naphthazarin"	"Oc1ccc(O)c2C(=O)C=CC(=O)c12"	0	NA	NA	4	4	"87461"	"475387"
"26692"	26692	"4,5-bis(4-methoxyphenyl)-1h-imidazol-2(5h)-one"	"COc1ccc(cc1)C2NC(=O)N=C2c3ccc(OC)cc3"	0	""	""	1	1	"231112"	"5471410"
"26697"	26697	"IPDPPISLQQOKEV-NTCAYCPXSA-N"	"CC(=O)NC1=C\C(=N/C(=O)C)\c2ccccc2C1=O"	0	""	""	2	2	"231115"	NA
"26821"	26821	"o-Aminoazotoluene"	"Cc1ccccc1N=Nc2ccc(N)c(C)c2"	0	NA	NA	1	1	"87573"	"97563"
"26933"	26933	"OKDKHOBYMXHNMN-UHFFFAOYSA-N"	"Cc1ccc(NC(C(=O)c2ccccc2)c3ccccc3)cc1"	0	""	""	1	1	"231205"	"78604827"
"26980"	26980	"Mitomycin"	"CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N"	0	"A2|AlkAg"	"FDA approved"	138	122	"5746"	"50077"
"27034"	27034	"2,3-quinizarindicarbonitrile"	"Oc1c(C#N)c(C#N)c(O)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"410191"	"5470984"
"27102"	27102	"4'-Iodo-3-nitrosalicylanilide"	"Oc1c(cccc1[N+](=O)[O-])C(=O)Nc2ccc(I)cc2"	0	NA	NA	1	1	"87732"	"10515487"
"27103"	27103	"2-Hydroxy-n-(4-iodophenyl)-5-nitrobenzamide"	"Oc1ccc(cc1C(=O)Nc2ccc(I)cc2)[N+](=O)[O-]"	0	NA	NA	1	1	"87733"	"6491016"
"27445"	27445	""	"OC(=O)c1ccc2cccnc2c1O"	0	NA	NA	3	2	"87918"	"19829799"
"27515"	27515	"2-isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo- (..."	"CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)O"	0	""	""	1	1	"138417"	"19506855"
"27604"	27604	"N-[(E)-[1-(5-chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide"	"CC(C)C\C(=N/NC(=O)c1ccncc1)\c2cc(Cl)ccc2O"	0	""	""	2	2	"135431336"	NA
"27607"	27607	"5-Chlorosalicylaldehyde isonicotinoylhydrazone"	"Oc1ccc(Cl)cc1\C=N\NC(=O)c2ccncc2"	0	""	""	1	1	"135431337"	"732923"
"27640"	27640	"Floxuridine"	"OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	"Ds|TYMS"	"FDA approved"	132	77	"-1"	"50919"
"28002"	28002	"naphtho[2,1-b]quinolizinium, 7-methyl- chloride"	"Cc1c2ccc3ccccc3c2c[n+]4ccccc14"	0	""	""	4	4	"5351151"	NA
"28081"	28081	"J3.656.556J"	"BrC(c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	"231626"	"5467209"
"28365"	28365	"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate"	"CC(=O)Oc1ccc(cc1)C23c4ccccc4C2(OC(=O)C)c5cc(OC(=O)C)ccc35"	0	""	""	1	1	"231714"	NA
"28408"	28408	"1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide"	"C[N+]1(CCCC[N+]2(C)CCCCCCC2)CCCCCCC1"	0	""	""	1	1	"5351731"	"5471647"
"28430"	28430	"((p-Bromophenyl)azo)malononitrile"	"Brc1ccc(cc1)N=NC(C#N)C#N"	0	NA	NA	2	2	"88419"	"5471716"
"28527"	28527	"Cyclohexylmethanamine;cyclohexylmethylcarbamic acid"	"NCC1CCCCC1.OC(=O)NCC2CCCCC2"	0	""	""	1	1	"231799"	NA
"28566"	28566	"4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propylamino]butan-2-ol;hydrochloride"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCC(C)O)c2c1"	0	NA	NA	1	1	"543136"	NA
"28567"	28567	"1-[2-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]ethylamino]propan-2-ol;chloride"	"COc1cc2nc3cc(ccc3c(NCCNCC(C)O)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	"543137"	NA
"28568"	28568	"1-[2-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]ethylamino]-2-methylpropan-2-ol;chloride"	"COc1cc2nc3cc(ccc3c(NCCNCC(C)(C)O)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	"543138"	NA
"28569"	28569	"2-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]ethanol;chloride"	"COc1cc2nc3cc(ccc3c(NCCCNCCO)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	"543139"	NA
"28608"	28608	"1,3-Bis(4-bromophenyl)thiourea"	"Brc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1"	0	""	""	1	1	"3652630"	"2059758"
"29013"	29013	"2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol"	"Cc1ccc(c(C)c1)c2cc(O)c(cc2O)c3ccc(C)cc3C"	0	""	""	1	1	"232011"	"5465463"
"29018"	29018	"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol"	"Cc1cc(C)c(c(C)c1)c2cc(O)c(cc2O)c3c(C)cc(C)cc3C"	0	""	""	1	1	"232016"	"5465509"
"29117"	29117	"7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one"	"CCCCC(=O)c1c(O)ccc2C(=CC(=O)Oc12)C"	0	""	""	1	1	"5355215"	"6324545"
"29182"	29182	"2-(Ethoxycarbonyl)phenyl 2-phenylhydrazinecarboxylate"	"CCOC(=O)c1ccccc1OC(=O)NNc2ccccc2"	0	""	""	2	2	"232136"	NA
"29228"	29228	"allyl disulfide"	"C=CCSSCC=C"	0	""	""	2	2	"16590"	"2179579"
"29422"	29422	"thioguanosine"	"NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	"89020"	"85314"
"29424"	29424	"N-Butyl-2-(methylthio)-9H-purin-6-amine"	"CCCCNc1nc(SC)nc2nc[nH]c12"	0	""	""	2	2	"517841"	NA
"29443"	29443	"Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	"O=C(O[Hg]CC1OCCOC1C[Hg]OC(=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	"16683643"	NA
"29459"	29459	"quinoline, 4-[.alpha.-[bis(2-chloroethyl)amino]-4-methox..."	"COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)CCCl"	0	""	""	2	1	"24183684"	NA
"29603"	29603	""	"Nc1nc(N)c2ncn(c3ccccc3)c2n1"	0	NA	NA	1	1	"543257"	NA
"29604"	29604	"9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride"	"Nc1nc(N)c2ncn(c3ccc(Cl)c(Cl)c3)c2n1"	0	""	""	1	1	"24183689"	NA
"29606"	29606	"9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride"	"Cc1ccc(cc1)n2cnc3c(N)nc(N)nc23"	0	""	""	1	1	"54601764"	NA
"29630"	29630	"dichloroamethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	"89195"	"528745"
"29638"	29638	"N'-(4-fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide"	"Fc1ccc(NNC(=O)CC2Sc3ccccc3NC2=O)cc1"	0	""	""	1	1	"232328"	"2263583"
"29865"	29865	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide"	"Oc1ccccc1\C=N\NC(=O)CSCC(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	"135431368"	"6325106"
"30033"	30033	"glycerol-tris(iodoacetate)"	"ICC(=O)OCC(COC(=O)CI)OC(=O)CI"	0	""	""	2	1	"23681"	"7250466"
"30083"	30083	"4,4'-(Decylcarbonimidoyl)bis(n,n-dimethylaniline)"	"CCCCCCCCCCN=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C"	0	NA	NA	2	2	"89433"	"6324034"
"30198"	30198	""	"Cc1cc(NCCCCCCNc2cc(C)nc3ccc(Cl)cc23)c4cc(Cl)ccc4n1"	0	NA	NA	1	1	"543382"	NA
"30417"	30417	"1-[5-(2-Cyclohexylphenoxy)pentyl]piperazine"	"C(CCOc1ccccc1C2CCCCC2)CCN3CCNCC3"	0	NA	NA	1	1	"543421"	NA
"30637"	30637	"(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride"	"NC(=N)SCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"24183838"	NA
"30652"	30652	"1,4-Diacetoxynaphthalene"	"CC(=O)Oc1ccc(OC(=O)C)c2ccccc12"	0	""	""	1	1	"79775"	"5697007"
"30656"	30656	"michler's thione"	"CN(C)c1ccc(cc1)C(=S)c2ccc(cc2)N(C)C"	0	""	""	1	1	"71045"	"1226466"
"30659"	30659	"(E)-4-(4-dodecylphenyl)-4-oxobut-2-enoic acid"	"CCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(=O)O"	0	NA	NA	1	1	"89794"	"52497797"
"30706"	30706	"chinon"	"O=C1C=C(N2CC2)C(=O)C=C1N3CC3"	0	""	""	4	4	"95715"	"526625"
"30712"	30712	"4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol"	"CC(C)c1cc(\N=C/c2ccccc2O)c(C)cc1O"	0	""	""	2	2	"232780"	"7251196"
"30722"	30722	"2,4,6-Trichloro-5-methylpyrimidine"	"Cc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"232789"	"1780365"
"30799"	30799	"1-Methylcyclopentane-1,2-dicarboxylic acid"	"CC1(CCCC1C(=O)O)C(=O)O.CC2(CCCC2C(=O)O)C(=O)O"	0	""	""	1	1	"232835"	NA
"30813"	30813	"5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole"	"c1ccc(cc1)n2nnnc2c3cccc4ccccc34"	0	""	""	2	2	"232850"	"6321579"
"30863"	30863	"5660AH"	"Nc1ccccc1c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"22658"	"6272522"
"30915"	30915	"Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	"O=C(O[Hg]CC1COCC(C[Hg]OC(=O)c2ccccc2)O1)c3ccccc3"	0	""	""	1	1	"16683646"	NA
"30916"	30916	"mp 317"	"O=C(O[Hg]CC1COC(C[Hg]OC(=O)c2ccccc2)CO1)c3ccccc3"	0	""	""	4	3	"16683647"	NA
"30930"	30930	"2-indolecarboxylic acid, 5-(benzyloxy)-"	"OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1"	0	NA	NA	2	2	"89998"	"6640091"
"30979"	30979	"3-Ethylcholanthrene"	"CCc1ccc2cc3c(ccc4ccccc34)c5CCc1c25"	0	""	""	1	1	"95723"	"7511548"
"31059"	31059	"MS-1469"	"O=C1NC(=S)S/C/1=C/c2ccc3OCOc3c2"	0	""	""	1	1	"1416279"	"28824660"
"31660"	31660	"2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid"	"Nc1ccccc1O.O[Sb]2OC(C(O2)C(=O)O)C(=O)O"	0	""	""	2	2	"16682749"	NA
"31692"	31692	"(Z)-4-(4-chlorophenyl)-3-phenylbut-3-en-2-one"	"CC(=O)\C(=C/c1ccc(Cl)cc1)\c2ccccc2"	0	NA	NA	2	2	"90494"	"6318769"
"31703"	31703	"ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate"	"CCOC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	"5774635"	"6324807"
"31709"	31709	"quinolinium, 2-[2-(2,5-dimethyl-1-pentyl-1h-pyrrol-3-yl)..."	"CCCCCn1c(C)cc(\C=C\c2ccc3cc(C)ccc3[n+]2C)c1C"	0	""	""	2	2	"54605545"	NA
"31711"	31711	"2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diethylamino)methyl)phenol, dihydrochloride"	"CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc4ccc(OC)cc24)cc(CC=C)c1O"	0	NA	NA	1	1	"543585"	"7511617"
"31717"	31717	"tetraethyleniminobenzoquinone"	"O=C1C(=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4)N5CC5"	0	""	""	2	2	"95735"	"4239069"
"31768"	31768	"N,N-Dimethyl-4-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CN(C)c1ccc(\C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	2	2	"54599828"	"7400488"
"31777"	31777	"N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	2	2	"54605565"	"6333955"
"31778"	31778	"N,N-diethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1"	0	NA	NA	2	2	"543606"	"7400499"
"31779"	31779	"2-[(3Z)-1,2-Diiodo-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propyl]-1,3,3-trimethyl-3H-indol-1-ium chloride"	"CN1\C(=C/C(I)C(I)C2=[N+](C)c3ccccc3C2(C)C)\C(C)(C)c4ccccc14"	0	NA	NA	2	2	"543607"	"6320134"
"31780"	31780	"astraphloxin"	"CN1\C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)\C(C)(C)c4ccccc14"	0	""	""	2	2	"6540442"	"6320145"
"31782"	31782	"N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2"	0	""	""	2	2	"54602338"	"6320327"
"31812"	31812	"dulana"	"Nc1ccc(cc1)S(=O)(=O)Nc2nccs2"	0	NA	NA	1	1	"90559"	"72140"
"31815"	31815	"Antineoplastic-31815"	"[Na+].O[As](=O)(O)c1ccc(OCCO[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	NA	NA	2	1	"543610"	"7150892"
"31869"	31869	"Suberosin"	"COc1cc2OC(=O)C=Cc2cc1CC=C(C)C"	0	""	""	1	1	"68486"	"581317"
"31882"	31882	"3,4'-dimethoxychrysin"	"COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(OC)cc3"	0	""	""	1	1	"5352001"	"20869958"
"32065"	32065	"Hydroxyurea"	"NC(=O)NO"	0	"AM|Dr"	"FDA approved"	53	33	"-1"	"127071"
"32149"	32149	"1-(Benzo[a]anthracen-7-ylmethyl)pyridin-1-ium;chloride"	"C(c1c2ccccc2cc3c1ccc4ccccc34)[n+]5ccccc5"	0	NA	NA	1	1	"543660"	NA
"32190"	32190	"wln: t66 bnj g1r& jq"	"Oc1ccc(Cc2ccccc2)c3cccnc13"	0	NA	NA	1	1	"90837"	"6954934"
"32212"	32212	".alpha.-bromochalcone"	"Br\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	NA	NA	1	1	"90851"	"6935757"
"32516"	32516	"3-(But-3-en-2-yl)-2-hydroxybenzaldehyde"	"CC(C=C)c1cccc(C=O)c1O"	0	""	""	1	1	"233642"	NA
"32569"	32569	"piperazine, 4-(m-chlorophenyl)-4'-(p-chlorophenyl)-1,1'-..."	"Clc1ccc(cc1)N2CCN(CCCN3CCN(CC3)c4cccc(Cl)c4)CC2"	0	""	""	2	1	"233683"	NA
"32743"	32743	"Acetoxycycloheximide"	"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(=O)C"	0	NA	NA	2	1	"91151"	"2885394"
"32924"	32924	"2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate"	"C[n+]1c2ccc(Cl)cc2nc3cc(ccc13)c4ccccc4"	0	""	""	1	1	"24184082"	NA
"32927"	32927	"Cetrimonium Bromide"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	0	NA	NA	1	1	"543842"	"57090"
"32930"	32930	"N-(7-chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride"	"CCN(CC)CCCNc1cc(OC)cc2nc3cc(Cl)ccc3nc12"	0	""	""	1	1	"24184086"	NA
"32937"	32937	"acridan, 9-chloro-9-(p-dimethylaminophenyl)-10-ethyl-, d..."	"CCN1c2ccccc2C(Cl)(c3ccc(cc3)N(C)C)c4ccccc14"	0	NA	NA	1	1	"543849"	NA
"32942"	32942	"Cetalkonium Chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	2	2	"31202"	"122189"
"32944"	32944	"cephaeline dihydrochloride"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45"	0	NA	NA	10	2	"543856"	"5853292"
"32946"	32946	"mggh"	"C\C(=N/NC(=N)N)\C=N\NC(=N)N"	0	NA	NA	11	6	"543857"	"7059236"
"32951"	32951	"mycoin"	"OC1OCC=C2OC(=O)C=C12"	0	NA	NA	1	1	"91264"	"149291"
"32967"	32967	"3-N,6-N,2,7-tetramethylacridine-3,6-diamine;hydrochloride"	"CNc1cc2nc3cc(NC)c(C)cc3cc2cc1C"	0	""	""	1	1	"54608353"	"6323393"
"32982"	32982	"Curcumin"	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O"	0	"Apo"	"FDA approved"	2	1	"-1"	"458377"
"32992"	32992	"colchicoside"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	4	1	"91282"	NA
"33001"	33001	"Fluorometholone"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	""	"FDA approved"	4	2	"9878"	"426131"
"33006"	33006	"NCIMech_000040"	"CC(=O)Nc1ccc(cc1)c2nc3ccccc3s2"	0	""	""	1	1	"233871"	"6265572"
"33052"	33052	"DAQRZDDIMCDMPZ-UHFFFAOYSA-N"	"C(SCc1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	"233907"	"2222404"
"33092"	33092	"methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate"	"COC(=O)Nc1ccc2ccc3c(NC(=O)OC)ccc4ccc1c2c34.COC(=O)Nc5ccc6ccc7ccc(NC(=O)OC)c8ccc5c6c78"	0	""	""	1	1	"233937"	NA
"33202"	33202	"Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate"	"COC(=O)CCC1=C(C)C2=[N+]3C1=Cc4[nH-]5c(C=C6C=C(C)C7=[N+]6[Cd+2]35[NH-]8C(=C7)C=C(C)C8=C2)c(C)c4CCC(=O)OC"	0	""	""	2	2	"3551195"	NA
"33353"	33353	"cinnamamide, n-(4-amino-2-methyl-6-quinolyl)-o-chloro-"	"Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1"	0	NA	NA	2	2	"91531"	NA
"33408"	33408	"n-acetyliodocolchinol"	"COc1cc2CC[C@H](NC(=O)C)c3cc(O)c(I)cc3c2c(OC)c1OC"	0	NA	NA	2	2	"91560"	"38838276"
"33410"	33410	"Colchicine Derivative"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4ccccc4"	0	"TUBB"	""	8	2	"46151"	"63989753"
"33413"	33413	"N-[2-(Diphenylmethoxy)ethyl]-2-[(2-ethylhexyl)oxy]-N,N-dimethyl-2-oxoethan-1-aminium chloride"	"CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	"543936"	"6275236"
"33418"	33418	"10-[(Z)-C-aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide"	"NNC(=N)SCCCCCCCCCCSC(=N)NN"	0	""	""	1	1	"54603357"	NA
"33419"	33419	"sn 967"	"C[n+]1c2ccccc2nc3c(N)cc(N)cc13"	0	NA	NA	1	1	"543938"	"1084431"
"33423"	33423	"Antineoplastic-33423"	"COc1ccc(cc1NCS(=O)(=O)O)\[As]=[As]\c2ccc(OC)c(NCS(=O)(=O)O)c2"	0	NA	NA	1	1	"543940"	"6634748"
"33434"	33434	"isoquinolinium (8ci), 2,2'-decamethylenedi-, dibromide"	"C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]3ccc4ccccc4c3"	0	""	""	2	1	"24184168"	"1465743"
"33458"	33458	"3-N,3-N,6-N,6-N,2,7-hexamethylacridine-3,6-diamine;hydrochloride"	"CN(C)c1cc2nc3cc(N(C)C)c(C)cc3cc2cc1C"	0	""	""	1	1	"54602200"	"6275509"
"33467"	33467	"2-{(E)-2-[4-(Diethylamino)phenyl]ethenyl}-1-ethyl-6-methylquinolin-1-ium chloride"	"CCN(CC)c1ccc(\C=C\c2ccc3cc(C)ccc3[n+]2CC)cc1"	0	NA	NA	2	2	"543967"	"7356743"
"33530"	33530	"Neuro_000017"	"[O-][N+](=O)c1ccc2c(c1)C(=O)C(=O)c3cc(ccc23)[N+](=O)[O-]"	0	""	""	5	4	"95759"	"604944"
"33548"	33548	".beta.-dimethylamino-.alpha.-phenylpropiophenone hydroch..."	"CN(C)CC(C(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"91378"	"25287790"
"33553"	33553	"3-(Dimethylamino)-2-(4-methylphenyl)-1-phenylpropan-1-one;hydrochloride"	"CN(C)CC(C(=O)c1ccccc1)c2ccc(C)cc2"	0	NA	NA	1	1	"543992"	NA
"33556"	33556	"3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide"	"COc1ccc(cc1)C(=O)C(CN(C)C)c2ccccc2"	0	""	""	1	1	"54598857"	NA
"33560"	33560	"3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide"	"O=C(C(CN1CCOCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"54599888"	NA
"33566"	33566	"4-[4-(diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	"CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	""	""	2	1	"54609218"	NA
"33568"	33568	"3-Piperidino-2-phenylpropiophenone"	"O=C(C(CN1CCCCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"89341"	"20451289"
"33570"	33570	"5-Morpholino-1,5-diphenyl-pent-1-en-3-one"	"O=C(CC(N1CCOCC1)c2ccccc2)\C=C\c3ccccc3"	0	""	""	1	1	"6184372"	"6275214"
"33574"	33574	"1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride"	"CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO"	0	""	""	1	1	"24184220"	"6265436"
"33577"	33577	"4-[4-(dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	"CCCCN(CCCC)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	""	""	2	1	"24184222"	NA
"33669"	33669	"emetine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45"	0	NA	NA	3	2	"544052"	"316427"
"33690"	33690	"Colchicine, 10-demethoxy-10-(diethylamino)-"	"CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	2	2	"91711"	NA
"33759"	33759	"N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide"	"Oc1ccc(Br)cc1\C=N\NC(=O)c2ccncc2"	0	NA	NA	1	1	"91776"	"732912"
"33762"	33762	"LS-130969"	"COc1cccc(\C=N\NC(=O)c2ccncc2)c1O"	0	""	""	1	1	"135538347"	"7209850"
"33765"	33765	"cap 1 hydrochloride"	"ClCCN1CCCCC1CCl"	0	""	""	1	1	"21123220"	"6274880"
"33832"	33832	"Ascorbic Acid"	"OCC(O)C1OC(=O)C(=C1O)O"	0	NA	NA	3	2	"91803"	"50817"
"34046"	34046	""	"CC\C(=C/c1ccc(cc1)N(C)C)\c2ccncc2"	0	NA	NA	1	1	"91900"	NA
"34060"	34060	"N,N'-diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride"	"CCN(CCCOc1ccccc1)CCN(CC)CCCOc2ccccc2"	0	""	""	1	1	"54609242"	NA
"34391"	34391	"cryptocyanin"	"CCN1C=C\C(=C/C=C/c2cc[n+](CC)c3ccccc23)\c4ccccc14"	0	NA	NA	1	1	"544284"	"4727508"
"34444"	34444	"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine"	"[O-][N+](=O)c1ccc(Nc2nc3ccccc3s2)cc1"	0	""	""	1	1	"234474"	"2501066"
"34462"	34462	"Uracil Mustard"	"ClCCN(CCCl)C1=CNC(=O)NC1=O"	0	"A7|AlkAg"	"FDA approved"	54	46	"6194"	"66751"
"34475"	34475	"androst-5-en-16.beta.-ol, 3.beta.-methoxy- (8ci)"	"CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CC=C2C1"	0	""	""	1	1	"234498"	"6038342"
"34521"	34521	"Dexamethasone Decadron"	"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"	0	"Ho"	"FDA approved"	1	1	"-1"	"50022"
"34533"	34533	"fulcin"	"COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O"	0	NA	NA	2	2	"92124"	"78739001"
"34541"	34541	"(Iodoacetyl)urea"	"NC(=O)NC(=O)CI"	0	""	""	2	2	"234533"	"67172149"
"34656"	34656	"cytisine, 3-methyl-"	"CN1CC2CC(C1)C3=CC=CC(=O)N3C2"	0	""	""	1	1	"234566"	"63699796"
"34661"	34661	"pms (van)"	"C[n+]1c2ccccc2nc3ccccc13"	0	""	""	3	2	"9285"	"299116"
"34749"	34749	""	"CNC(Cc1ccccc1)c2cccc(OC)c2O"	0	NA	NA	1	1	"544437"	"6278279"
"34757"	34757	"Melicopidine"	"COc1c2OCOc2c(OC)c3C(=O)c4ccccc4N(C)c13"	0	""	""	2	2	"68060"	"475912"
"34780"	34780	"STK174912"	"Oc1ccccc1\C=N\N=C/2\Nc3ccccc3S2"	0	""	""	1	1	"135460716"	"6278417"
"34821"	34821	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(2-nitro phe..."	"CN(C)CC(=C)C(=O)c1ccccc1[N+](=O)[O-]"	0	NA	NA	4	4	"544456"	NA
"34864"	34864	"2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan"	"CC(=O)Nc1ccc(Sc2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	2	2	"234636"	"6277550"
"34924"	34924	""	"O=C(C(Nc1ccc2ccccc2c1)c3ccccc3)c4ccccc4"	0	NA	NA	2	2	"544502"	"6276922"
"34927"	34927	"N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride"	"CCN(CC)CCC(CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-])c4ccccc4"	0	""	""	2	2	"24184591"	"5414631"
"34931"	34931	"1-naphthalenesulfonic acid, 3,3'-[1,2-ethenediylbis [(3-..."	"[Na+].Oc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(\C=C\c4ccc(cc4S(=O)(=O)O)N=Nc5cc(c6ccccc6c5O)S(=O)(=O)O)c(c3)S(=O)(=O)O"	0	""	""	5	2	"135488929"	"6962421"
"34949"	34949	"1-(1-Hydroxynaphthalen-2-yl)heptan-1-one"	"CCCCCCC(=O)c1ccc2ccccc2c1O"	0	""	""	1	1	"234660"	"67013665"
"35027"	35027	"Laurylpyridinium chloride"	"CCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	1	1	"544543"	"104745"
"35049"	35049	""	"CC(C)c1ccc(\C=C/2\C=C(OC2=O)c3ccc4ccccc4c3)cc1"	0	NA	NA	2	1	"92366"	"6278144"
"35123"	35123	"perchloropyrimidine"	"Clc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	2	1	"15690"	"1780401"
"35400"	35400	"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol"	"NC(=N)SCc1ccc(Cl)cc1Cl.Oc2c(Cl)cc(Cl)c(Cl)c2[N+](=O)[O-]"	0	""	""	2	1	"234810"	NA
"35427"	35427	"1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone"	"O=C(C[N+]1(CCOCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"411628"	"7401210"
"35441"	35441	"phenanthridinium, 8-amino-5-methyl-6-phenyl-bromide"	"C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccccc14"	0	""	""	2	2	"21144180"	"67240306"
"35446"	35446	"Propiophenone, 3-phenyl-3-piperidino-"	"O=C(CC(N1CCCCC1)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"92529"	"5350970"
"35450"	35450	"1-[2-(biphenyl-4-yl)-2-oxoethyl]-3,5,7-triaza-1-azoniatr..."	"O=C(C[N+]12CN3CN(CN(C3)C1)C2)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"5351745"	NA
"35468"	35468	"Podophyllotoxin bromide"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)C(Br)c4cc5OCOc5cc24"	0	""	""	2	2	"234820"	NA
"35471"	35471	"peltatin b"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	2	2	"92536"	"518296"
"35479"	35479	"Podophyllotoxin isothiuronium bromide"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](SC(=N)N)c4cc5OCOc5cc24"	0	""	""	2	2	"54602203"	"51887979"
"35489"	35489	"2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide"	"O=C(C[n+]1ccc2ccccc2c1)c3ccc4ccc5ccccc5c4c3"	0	""	""	2	2	"5351160"	"7401243"
"35542"	35542	"xanthoxylin n"	"COc1c2C=CC(=O)Oc2cc3OC(C)(C)C=Cc13"	0	""	""	1	1	"66548"	"84991"
"35563"	35563	"Chloro-[5-(chloromercurio)furan-2-yl]mercury"	"Cl[Hg]c1oc([Hg]Cl)cc1"	0	NA	NA	1	1	"544670"	"6270991"
"35580"	35580	"QLZ45PX3T1"	"O=C1NC2(NC(=O)C1=O)Nc3ccccc3S2"	0	""	""	2	1	"234858"	"6270355"
"35587"	35587	"Leucanthone, m-aminobenzenesulfonate"	"CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12.Nc4cccc(c4)S(=O)(=O)O"	0	""	""	2	1	"234864"	"16170846"
"35617"	35617	"1,3-naphthalenedisulfonic acid, 7,7'-azoxybis [[[[[(2-su..."	"OS(=O)(=O)c1cc(c2cc(ccc2c1)\N=N\c3ccc(cc3)\N=N\c4ccc(\C=C\c5ccc(cc5S(=O)(=O)O)\N=[N+](/[O-])\c6ccc(\C=C\c7ccc(cc7S(=O)(=O)O)\N=N\c8ccc(cc8)\N=N\c9ccc%10cc(cc(c%10c9)S(=O)(=O)O)S(=O)(=O)O)c(c6)S(=O)(=O)O)c(c4)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	2	1	"54601070"	"6273536"
"35676"	35676	"Purpurogallin"	"OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O"	0	NA	NA	1	1	"92636"	"569777"
"35683"	35683	"mercuryl"	"OB(O[Hg]c1ccccc1)O[Hg]c2ccccc2"	0	""	""	2	2	"16683655"	"6273990"
"35729"	35729	"4-ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"CCOc1c(OC)cc(cc1OC)C2C3C(COC3=O)Cc4c(OCC)c5OCOc5cc24"	0	""	""	1	1	"234897"	"6270402"
"35753"	35753	"3,3'-dihydroxyhexestrol"	"CC[C@@H]([C@@H](CC)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2"	0	NA	NA	1	1	"92665"	"79199512"
"35767"	35767	"2,4,6-tribromophenylallyl ether"	"Brc1cc(Br)c(OCC=C)c(Br)c1"	0	""	""	1	1	"76767"	"3278895"
"35770"	35770	"clomid"	"CCN(CC)CCOc1ccc(cc1)\C(=C(/Cl)\c2ccccc2)\c3ccccc3"	0	NA	NA	1	1	"92678"	"50419"
"35790"	35790	"2-benzimidazolepropionic acid"	"OC(=O)CCc1nc2ccccc2[nH]1"	0	NA	NA	2	1	"92688"	"23249970"
"35855"	35855	"1,2-Bis[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anthracene-9,10-dione"	"ClC1=C(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2NC5=C(Cl)C(=O)c6ccccc6C5=O)C(=O)c7ccccc7C1=O"	0	NA	NA	1	1	"92728"	"6962692"
"35915"	35915	"Erythritol aziridine"	"O[C@@H](CN1CC1)[C@H](O)CN2CC2"	0	""	""	1	1	"234991"	"21401285"
"35949"	35949	"NCIMech_000850"	"O=S1(=O)CCN(CC1)c2ccccc2CC(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56"	0	""	""	3	1	"235012"	NA
"35950"	35950	"carbamimidothioic acid, (4-chloro-1-naphthalenyl)methyl ..."	"NC(=N)SCc1ccc(Cl)c2ccccc12.Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	"235013"	NA
"36333"	36333	"akron"	"CCOc1ccc2nc3cc(N)ccc3c(N)c2c1"	0	NA	NA	1	1	"93052"	"1837576"
"36338"	36338	"quatresin"	"CCCCCCCCCCCCCC[n+]1ccc(C)cc1"	0	""	""	2	2	"17671"	"2748881"
"36354"	36354	"tmca"	"COC1=CC=C2C(=CC1=O)[C@@H](N)CCc3cc(OC)c(OC)c(OC)c23"	0	NA	NA	13	5	"93060"	"49720721"
"36359"	36359	"6-Chloro-1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]quinolin-1-ium bromide"	"Clc1ccc2c(ccc[n+]2CC(=O)c3ccc4CCCCc4c3)c1"	0	NA	NA	1	1	"544899"	"6270866"
"36369"	36369	"2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide"	"C(CC[n+]1ccc2ccccc2c1)C[n+]3ccc4ccccc4c3"	0	""	""	1	1	"5351749"	"67258246"
"36373"	36373	"naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetra..."	"COc1cc(cc(OC)c1OC)C2C(CO)C(CO)C(O)c3cc4OCOc4cc23"	0	NA	NA	2	2	"93070"	NA
"36390"	36390	"podophyllin"	NA	0	NA	NA	2	2	"544917"	"9000559"
"36405"	36405	"Chelerythrine"	"COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC"	0	"BCL2|PK:PRKCA,STK"	"Clinical trial"	2	2	"72311"	"3895929"
"36407"	36407	"Picropodophyllin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	""	""	2	2	"72435"	"477474"
"36408"	36408	"Podophyllotoxin acetate"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc24"	0	NA	NA	1	1	"93087"	"1180343"
"36413"	36413	"dauricine"	"COc1cc2CCN(C)C(Cc3ccc(Oc4cc(CC5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC"	0	NA	NA	1	1	"93089"	"524174"
"36437"	36437	"Crassin, acetate"	"CC(=O)OC1C\C(=C\CC\C(=C/CCC(C)(O)C2CC1C(=C)C(=O)O2)\C)\C"	0	NA	NA	1	1	"93110"	"28028684"
"36525"	36525	"8-[(4-tert-butylphenoxy)methyl]-1,3-dimethyl-3,7-dihydro..."	"CN1C(=O)N(C)c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2C1=O"	0	""	""	1	1	"235292"	NA
"36731"	36731	"Sulfiram"	"CCN(CC)C(=S)SC(=S)N(CC)CC"	0	""	""	2	2	"7215"	"95056"
"36755"	36755	"2,2':6',2''-Terpyridine"	"c1ccc(nc1)c2cccc(n2)c3ccccn3"	0	NA	NA	1	1	"93311"	"1148794"
"36758"	36758	"Tolonium chloride"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	"93312"	"92319"
"36768"	36768	"2,3,4,4'-Tmbp"	"COc1ccc(cc1)c2ccc(OC)c(OC)c2OC"	0	""	""	2	2	"165441"	"6271596"
"36806"	36806	"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,15,27,34-tetrone"	"O=C1CN2CCN(CC2)CC(=O)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CN5CCN(CC5)CC(=O)Nc6ccc(cc6)S(=O)(=O)c7ccc(N1)cc7)cc4"	0	""	""	4	3	"235431"	"6266837"
"37168"	37168	"celcot rm"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	"67277"	"135659"
"37186"	37186	"3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)C(F)(F)F"	0	""	""	2	2	"235600"	"450339"
"37187"	37187	"naphtazol c"	"Cc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O"	0	""	""	2	1	"67275"	"135637"
"37202"	37202	"celcot rn"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc4ccccc34"	0	""	""	1	1	"67241"	"132683"
"37248"	37248	"Acetamide, N,N'-(sulfonylbis(4,1-phenylene))bis(2-(bis(3-methylbutyl)amino)-"	"CC(C)CCN(CCC(C)C)CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)CN(CCC(C)C)CCC(C)C)cc2"	0	NA	NA	1	1	"93675"	"2520196"
"37249"	37249	"2-(dicyclohexylamino)-N-[4-[4-[[2-(dicyclohexylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide"	"O=C(CN(C1CCCCC1)C2CCCCC2)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CN(C5CCCCC5)C6CCCCC6)cc4"	0	NA	NA	2	2	"93676"	"2907882"
"37261"	37261	"4',4''-Methylenebis(2-chloroacetanilide)"	"ClCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCl)cc2)cc1"	0	NA	NA	2	2	"93688"	"17328153"
"37364"	37364	"6-methoxyguanine"	"COc1nc(N)nc2nc[nH]c12"	0	""	""	18	2	"65275"	"20535835"
"37379"	37379	""	"C\C(=N/NC(=O)c1ccncc1)\c2ccccc2O"	0	NA	NA	1	1	"93748"	"789811"
"37388"	37388	"PG9A8I4S8I"	"OC(=O)CCNc1ncnc2nc[nH]c12"	0	""	""	1	1	"95806"	"73094992"
"37432"	37432	"2-propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl- (9ci)"	"Oc1ccccc1\C=C\C(=O)c2ccccc2"	0	NA	NA	1	1	"93789"	"644780"
"37433"	37433	"chalcone, 2',3,4-trihydroxy-"	"Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O"	0	NA	NA	1	1	"93790"	"6272431"
"37518"	37518	""	"Cc1ccc(cc1)S(=O)(=O)OCC#CCOS(=O)(=O)c2ccc(C)cc2"	0	NA	NA	2	2	"93853"	"6337593"
"37600"	37600	"2-(Dibromomethyl)-1-nitroanthracene-9,10-dione"	"[O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(Br)Br"	0	NA	NA	1	1	"93920"	"6941851"
"37608"	37608	"naphthol as-d"	"Oc1cc2ccccc2cc1C(=O)Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	"75160"	"2208200"
"37627"	37627	"1,5-diphenoxyanthraquinone"	"O=C1c2cccc(Oc3ccccc3)c2C(=O)c4cccc(Oc5ccccc5)c14"	0	""	""	1	1	"6699"	"82213"
"37641"	37641	"Tricinolone acetophenonide"	"CC1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c6ccccc6"	0	""	""	1	1	"235856"	"3092828"
"37815"	37815	"2-(1,3-oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide"	"O=C(CNc1occn1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CNc4occn4)cc3"	0	""	""	1	1	"235925"	NA
"37876"	37876	"1,4-Bis[3-(dimethylamino)propoxy]anthracene-9,10-dione;hydrobromide"	"CN(C)CCCOc1ccc(OCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	1	1	"545298"	NA
"37888"	37888	"2,5-Dichloro-3,6-bis[4-[3-(dimethylamino)propoxy]anilino]cyclohexa-2,5-diene-1,4-dione;hydrochloride"	"CN(C)CCCOc1ccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(OCCCN(C)C)cc3)cc1"	0	NA	NA	2	1	"545307"	NA
"37889"	37889	"2,5-Dichloro-3,6-bis[2-[3-(dimethylamino)propoxy]anilino]cyclohexa-2,5-diene-1,4-dione"	"CN(C)CCCOc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OCCCN(C)C"	0	NA	NA	2	2	"94092"	NA
"37895"	37895	"2,5-Dichloro-3,6-bis[2-[2-(dimethylamino)ethoxy]anilino]cyclohexa-2,5-diene-1,4-dione"	"CN(C)CCOc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OCCN(C)C"	0	NA	NA	2	2	"94097"	NA
"37896"	37896	"2,5-Dichloro-3,6-bis[2-[1-(dimethylamino)propan-2-yloxy]anilino]cyclohexa-2,5-diene-1,4-dione;hydrochloride"	"CC(CN(C)C)Oc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OC(C)CN(C)C"	0	NA	NA	2	1	"545309"	NA
"37898"	37898	"2,5-Dichloro-3,6-bis[3-[2-(dimethylamino)ethoxy]anilino]cyclohexa-2,5-diene-1,4-dione"	"CN(C)CCOc1cccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3cccc(OCCN(C)C)c3)c1"	0	NA	NA	2	2	"94098"	NA
"37900"	37900	"2,5-Dichloro-3,6-bis[2-[3-(dimethylamino)propylsulfanyl]anilino]cyclohexa-2,5-diene-1,4-dione"	"CN(C)CCCSc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3SCCCN(C)C"	0	NA	NA	1	1	"94100"	NA
"37901"	37901	"2,5-Dichloro-3,6-bis[3-[3-(dimethylamino)propoxy]anilino]cyclohexa-2,5-diene-1,4-dione;hydrochloride"	"CN(C)CCCOc1cccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3cccc(OCCCN(C)C)c3)c1"	0	NA	NA	2	2	"545310"	NA
"37943"	37943	"O-Phenethylnicotinaldoxime"	"C(Cc1ccccc1)O\N=C\c2cccnc2"	0	""	""	1	1	"9561248"	"71172651"
"38007"	38007	"XPVZKRRTCHLFRZ-UHFFFAOYSA-N"	"Oc1cc(nc2ccccc12)c3ccc(Cl)cc3"	0	""	""	1	1	"236003"	"6337515"
"38086"	38086	"(4-Chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate"	"Cn1cnc(c1S(=O)(=O)Oc2ccc(Cl)cc2)[N+](=O)[O-]"	0	""	""	1	1	"236063"	"6954343"
"38087"	38087	"5-Phenoxysulfonyl-1-methyl-4-nitroimidazole"	"Cn1cnc(c1S(=O)(=O)Oc2ccccc2)[N+](=O)[O-]"	0	""	""	2	2	"81400"	"6954354"
"38090"	38090	"Z1603789400"	"Cn1cnc(c1S(=O)(=O)Oc2cccc3ccccc23)[N+](=O)[O-]"	0	""	""	2	2	"236065"	"6339646"
"38186"	38186	"mercury, (p-dioxane-2,5-diyldimethylene)bis[(octanoyloxy)-"	"CCCCCCCC(=O)O[Hg]CC1COC(C[Hg]OC(=O)CCCCCCC)CO1"	0	""	""	1	1	"16683657"	NA
"38270"	38270	"olivomycin"	"COC(C1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C(C)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O"	0	NA	NA	12	6	"545361"	"102647165"
"38525"	38525	""	"CN(C)CC1CCCC(CN(C)C)C1=O"	0	NA	NA	2	2	"545413"	"20115177"
"38530"	38530	"2,8-Bis((dimethylamino)methyl)cyclooctanone hydrochloride"	"CN(C)CC1CCCCCC(CN(C)C)C1=O"	0	""	""	2	2	"373400"	"6333262"
"38534"	38534	"cyclohexanone, 2-[(dimethylamino)methyl]-6-(piperidinome..."	"CN(C)CC1CCCC(CN2CCCCC2)C1=O"	0	NA	NA	3	3	"545421"	"6333284"
"38535"	38535	"2,6-bis(4-morpholinylmethyl)cyclohexanone,dihydrochloride"	"O=C1C(CN2CCOCC2)CCCC1CN3CCOCC3"	0	NA	NA	3	3	"545422"	"6333295"
"38643"	38643	"aquamycin"	"NC(=O)C#CC(=O)N"	0	NA	NA	2	2	"94532"	"543215"
"38663"	38663	"styrene, 3,4-dichloro-.beta.-nitro- (8ci)"	"[O-][N+](=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	"54605559"	"18984162"
"38684"	38684	"1,3-dioxane, 5,5-dimethyl-4-(1-methylethyl)-2- (2-phenyl..."	"CC(C)C1OC(OCC1(C)C)\C=C\c2ccccc2"	0	""	""	1	1	"5351757"	"61920534"
"38721"	38721	"Mitotane"	"ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl"	0	"A7|Ho|AlkAg|anti-Ho|CYP11A1"	"FDA approved"	54	2	"-1"	"53190"
"38732"	38732	"2-amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine"	"CNc1ncnc(Sc2nc(N)nc3nc[nH]c23)c1[N+](=O)[O-]"	0	""	""	2	2	"3246138"	NA
"38733"	38733	"2-((2-amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone"	"Nc1nc(SCC(=O)c2ccc(Br)cc2)c3[nH]cnc3n1"	0	""	""	1	1	"3246139"	NA
"38737"	38737	"purine, 2-amino-6-(o-nitrobenzylthio)-"	"Nc1nc(SCc2ccccc2[N+](=O)[O-])c3[nH]cnc3n1"	0	""	""	2	1	"3246141"	NA
"38743"	38743	"AK-94315"	"OC(=O)CCC1(NC(=O)NC1=O)c2ccccc2"	0	""	""	2	1	"236331"	"6939920"
"38777"	38777	"o-nitrophenyl succinic acid"	"OC(=O)CC(C(=O)O)c1ccccc1[N+](=O)[O-]"	0	""	""	1	1	"236350"	"6332941"
"38887"	38887	"guaneran"	"Cn1cnc(c1Sc2nc(N)nc3nc[nH]c23)[N+](=O)[O-]"	0	""	""	2	2	"3379405"	"5581522"
"39084"	39084	"Azathioprine Sodium"	"Cn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-]"	0	NA	NA	2	2	"545491"	"446866"
"39135"	39135	"STK213636"	"[O-][N+](=O)c1cc(ccc1Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"236554"	"365559"
"39147"	39147	"resactin a"	"CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O"	0	""	""	2	1	"91467"	"523864"
"39199"	39199	"4-(Dimethylamino)-1,3-diphenylbutan-2-one"	"CN(C)CC(C(=O)Cc1ccccc1)c2ccccc2"	0	""	""	1	1	"236584"	"76932644"
"39202"	39202	"cyclohexanone, 2,6-bis(piperidinomethyl)-"	"O=C1C(CN2CCCCC2)CCCC1CN3CCCCC3"	0	""	""	4	3	"236587"	NA
"39215"	39215	""	"CNCC(SC)c1ccc(O)c(O)c1"	0	NA	NA	1	1	"545524"	NA
"39277"	39277	"FCH840693"	"ClCCNC1=CNC(=O)NC1=O"	0	""	""	2	1	"236633"	"65689"
"39310"	39310	"naphtho[1,2-b]quinolizinium, 13-methyl-, chloride"	"Cc1c2cccc[n+]2cc3ccc4ccccc4c13"	0	""	""	1	1	"21144197"	NA
"39351"	39351	"2-Chloro-3-{[3-(propan-2-ylamino)propyl]amino}naphthalene-1,4-dione"	"CC(C)NCCCNC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"236655"	NA
"39356"	39356	"2,2'-{[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)imino]bis(propane-3,1-diylimino)}bis(3-chloronaphthalene-1,4-dione)"	"ClC1=C(NCCCN(CCCNC2=C(Cl)C(=O)c3ccccc3C2=O)C4=C(Cl)C(=O)c5ccccc5C4=O)C(=O)c6ccccc6C1=O"	0	NA	NA	1	1	"95011"	"22295870"
"39367"	39367	"9h-purine, 6-(allylthio)-9-.beta.-d-ribofuranosyl- (8ci)"	"OCC1OC(C(O)C1O)n2cnc3c(SCC=C)ncnc23"	0	""	""	1	1	"236667"	"13153190"
"39368"	39368	"sri 1215"	"CCSc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	"95021"	"13286049"
"39575"	39575	"Butyl 4-(2-chloroacetamido)benzoate"	"CCCCOC(=O)c1ccc(NC(=O)CCl)cc1"	0	NA	NA	1	1	"95108"	NA
"39661"	39661	"Idoxuridine"	"OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O"	0	""	"FDA approved"	2	1	"-1"	"54422"
"39688"	39688	"phenethylamine, n-isopropyl-.alpha.-methyl-, hydrochloride"	"CC(C)NC(C)Cc1ccccc1"	0	""	""	1	1	"213535"	"26640608"
"39779"	39779	""	"OC(=O)\C(=C/C(=O)c1ccc(Br)cc1)\O"	0	NA	NA	1	1	"95209"	"6314541"
"39789"	39789	"(Z)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;bromide"	"[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1"	0	""	""	2	2	"54605179"	"6314610"
"39792"	39792	"wln: t3otj bvr& cvr"	"O=C(C1OC1C(=O)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"95218"	"4440986"
"39803"	39803	"2-propen-1-one, 3-(1-naphthalenyl)-1-phenyl- (9ci)"	"O=C(\C=C\c1cccc2ccccc12)c3ccccc3"	0	""	""	2	1	"5712119"	"42299490"
"39851"	39851	""	"NCS(=O)(=O)O"	0	NA	NA	1	1	"545649"	"6939851"
"39863"	39863	"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol"	"C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc(ncc5C[C@]4(C)[C@H]3CC[C@]12C)c6ccccc6"	0	""	""	3	2	"236853"	NA
"39969"	39969	"5-Chloro-6-nitroquinoline"	"[O-][N+](=O)c1ccc2ncccc2c1Cl"	0	""	""	1	1	"236923"	"58416323"
"40273"	40273	"10-Methyl-7h-benzo[c]phenothiazine"	"Cc1ccc2Nc3ccc4ccccc4c3Sc2c1"	0	""	""	1	1	"237061"	"6314369"
"40341"	40341	"1,4-naphthoquinone, 2,2'-(1,4-piperazinediyl)bis[3-chloro-"	"ClC1=C(N2CCN(CC2)C3=C(Cl)C(=O)c4ccccc4C3=O)C(=O)c5ccccc5C1=O"	0	""	""	3	3	"237101"	"6312476"
"40342"	40342	"STK535899"	"CN1CCN(CC1)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	1	"237102"	"6312487"
"40593"	40593	"2,4,5-Trichloropyrimidine"	"Clc1ncc(Cl)c(Cl)n1"	0	""	""	2	2	"237259"	"5750765"
"40618"	40618	"2,6-Dibenzylidenecyclohexanone"	"O=C1\C(=C\c2ccccc2)\CCC/C/1=C\c3ccccc3"	0	NA	NA	1	1	"95789"	"897789"
"40665"	40665	"pc 254"	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3C4OC(CO)C(O)C4O)[N+](=O)[O-]"	0	NA	NA	3	2	"95821"	"3384610"
"40693"	40693	"cadmium, bis(2-amino-2-methyl-1-propanol-n,o)dichloro-"	"CC1(C)CO[Cd]2(Cl)(Cl)(NC(C)(C)CO2)N1"	0	""	""	1	1	"412646"	NA
"40787"	40787	"2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine; 2,3,4,5,6-pentachlorophenol"	"CC(=C)CNCC(=C)C.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"	0	""	""	1	1	"237371"	"6338676"
"40837"	40837	"1,2-ethanediphosphonic acid"	"OP(=O)(O)CCP(=O)(O)O"	0	""	""	1	1	"80247"	"6145319"
"41140"	41140	"6-Chloro-1-[2-(diethylamino)ethylamino]-4-nitrothioxanthen-9-one;hydrochloride"	"CCN(CC)CCNc1ccc(c2Sc3cc(Cl)ccc3C(=O)c12)[N+](=O)[O-]"	0	NA	NA	1	1	"545998"	"6970327"
"41373"	41373	"arsenobenzene"	"c1ccc(cc1)\[As]=[As]\c2ccccc2"	0	""	""	2	1	"78277"	"4519328"
"41390"	41390	"Antineoplastic-41390"	"O=[As]c1ccc(cc1)C(=O)c2ccc(Oc3ccccc3)cc2"	0	""	""	2	2	"237683"	"6973962"
"41566"	41566	"ethyl phenylpropiolate"	"CCOC(=O)C#Cc1ccccc1"	0	""	""	1	1	"91516"	"2216946"
"41567"	41567	"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene"	"Clc1ccc(cc1)S(=O)(=O)Cc2ccc(Cl)cc2Cl"	0	""	""	2	2	"237765"	"6310367"
"41658"	41658	"(3-nitrophenyl)arsonous dichloride"	"[O-][N+](=O)c1cccc(c1)[As](Cl)Cl"	0	""	""	1	1	"22753"	"6306963"
"41805"	41805	"sulquin"	"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2"	0	""	""	2	1	"5338"	"59405"
"41880"	41880	"Dienochlor"	"ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl"	0	NA	NA	2	1	"96580"	"2227170"
"41890"	41890	"2,5-Bis(chloromethyl)-p-xylene"	"Cc1cc(CCl)c(C)cc1CCl"	0	""	""	2	2	"80530"	"6298722"
"42044"	42044	"Lobendazole"	"CCOC(=O)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	"96715"	"6306714"
"42070"	42070	"1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea"	"Cc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2)cc1"	0	""	""	1	1	"4268411"	"2209258"
"42076"	42076	"sp g"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)c6ccccc6)c7cc8OCOc8cc27"	0	NA	NA	2	2	"96745"	"3268197"
"42138"	42138	"kc 60"	"Nc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1"	0	NA	NA	1	1	"96795"	"90772477"
"42258"	42258	""	"C(N1CCN(Cc2c[nH]c3ccccc23)CC1)c4c[nH]c5ccccc45"	0	NA	NA	1	1	"546216"	"6308685"
"42352"	42352	"carbamic acid, (2-piperazinylethyl)dithio-"	"SC(=S)NCCN1CCNCC1"	0	""	""	1	1	"3032930"	"36001715"
"42369"	42369	"LS-144126"	"Oc1ccc(Cl)cc1\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	"135538372"	"28058299"
"42371"	42371	""	"Oc1ccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])c(O)c1"	0	NA	NA	1	1	"96968"	"28058380"
"42384"	42384	"9-benzyl-6-(benzylthio)-9H-purin-2-amine"	"Nc1nc(SCc2ccccc2)c3ncn(Cc4ccccc4)c3n1"	0	""	""	2	1	"238161"	"94333070"
"42405"	42405	"Propan-2-yl hexadecylcarbamate"	"CCCCCCCCCCCCCCCCNC(=O)OC(C)C"	0	""	""	2	1	"238166"	"6298788"
"42428"	42428	"LS-144130"	"Oc1ccccc1\C=N\N=C\2/NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	"135538374"	"24458251"
"42656"	42656	"N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine"	"C(Cc1ccccn1)NCc2occc2"	0	""	""	2	1	"238327"	"6312001"
"42679"	42679	"1-Phenyl-3-(4-pyridinyl)-1,3-propanedione"	"O=C(CC(=O)c1ccncc1)c2ccccc2"	0	""	""	2	1	"238347"	"6312205"
"42695"	42695	"2-Phenyl-4-pyridin-2-ylbutanoic acid"	"OC(=O)C(CCc1ccccn1)c2ccccc2"	0	""	""	2	1	"238363"	"6312318"
"42797"	42797	"3-Methyl-1-(2-quinolinyl)-2-butanone"	"CC(C)C(=O)Cc1ccc2ccccc2n1"	0	""	""	1	1	"238450"	"10554560"
"42808"	42808	"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone"	"CN(C)CCC(C(=O)C(C)(C)C)c1ccccn1"	0	""	""	1	1	"238460"	NA
"42824"	42824	"2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine"	"C(CN1CCCC1)C(c2ccccc2)c3ccccn3"	0	""	""	1	1	"238475"	NA
"42856"	42856	""	"COc1cccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])c1O"	0	NA	NA	1	1	"97386"	"28058368"
"42972"	42972	"1,1,3,4-Tetrabromo-4-phenylbutan-2-one"	"BrC(Br)C(=O)C(Br)C(Br)c1ccccc1"	0	""	""	1	1	"238545"	"6304558"
"43101"	43101	"1-[(4-Bromophenyl)amino]cyclopentanecarbonitrile"	"Brc1ccc(NC2(CCCC2)C#N)cc1"	0	""	""	1	1	"238637"	"73143109"
"43223"	43223	"Chloro-(3,5-dibromophenyl)mercury"	"Cl[Hg]c1cc(Br)cc(Br)c1"	0	NA	NA	1	1	"546318"	NA
"43308"	43308	"2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide"	"O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc2ccccc2"	0	""	""	2	2	"238775"	NA
"43321"	43321	"ponticin"	"COc1ccc(\C=C\c2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)cc1O"	0	NA	NA	1	1	"97776"	"155588"
"43333"	43333	"p-Benzoquinone, trimethoxy-"	"COC1=CC(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	"238795"	"3117053"
"43339"	43339	"Nootkatin"	"CC(C)C1=C(CC=C(C)C)C=CC(=O)C(=C1)O"	0	NA	NA	2	2	"97793"	"4431032"
"43409"	43409	"(6-(6-mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol"	"OCC1CCCC(O1)n2cnc3C(=S)N=CNc23"	0	""	""	1	1	"4581572"	NA
"43413"	43413	"9-Benzyl-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purin-2-amine"	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3Cc4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	"238855"	NA
"43534"	43534	"2-amino-9-benzyladenine"	"Nc1nc(N)c2ncn(Cc3ccccc3)c2n1"	0	""	""	1	1	"238930"	"7674364"
"43567"	43567	"4-methyl-7-methoxy-6-hydroxycoumarin"	"COc1cc2OC(=O)C=C(C)c2cc1O"	0	""	""	1	1	"238946"	"6345626"
"43578"	43578	"6-Butyl-7,8-dihydroxy-4-methylchromen-2-one"	"CCCCc1cc2C(=CC(=O)Oc2c(O)c1O)C"	0	""	""	1	1	"5355695"	"6345706"
"43628"	43628	"copper polyphthalocyanine"	"c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9ccccc9C%10=[N+]8[Cu+2]57[NH-]3C(=N%10)c2c1)c%11ccccc6%11)c%12ccccc4%12"	0	""	""	1	1	"475701"	"26893936"
"43675"	43675	"tptc"	"Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"98038"	"639587"
"43684"	43684	"Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide"	"CC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c2ccccn2)(c3ccccn3)c4ccccn4"	0	""	""	1	1	"24185840"	NA
"43959"	43959	"wln: 1n1&r dyunqr dn1&1"	"CN(C)c1ccc(cc1)C(=NO)c2ccc(cc2)N(C)C"	0	""	""	1	1	"15581"	"1714518"
"44102"	44102	"5-[2-(Benzyloxy)-2-methylpropyl]-5-methylimidazolidine-2,4-dione"	"CC(C)(CC1(C)NC(=O)NC1=O)OCc2ccccc2"	0	""	""	1	1	"239211"	"7153573"
"44185"	44185	"emetinetriiodobismuth(iii)"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45.I[Bi](I)I"	0	NA	NA	4	3	"98401"	NA
"44230"	44230	"Dodecyl morpholine-4-carboximidate"	"CCCCCCCCCCCCOC(=N)N1CCOCC1"	0	""	""	2	1	"239304"	NA
"44303"	44303	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride"	"Nc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	"215727"	"945686"
"44477"	44477	"(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc2cc(Br)c3ccccc3c2c1"	0	""	""	1	1	"5351779"	"6632924"
"44489"	44489	"1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride"	"CCCCCCN(CCCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1"	0	""	""	1	1	"54605561"	NA
"44580"	44580	"pc 287"	"CCCn1cnc2c(SCc3ccccc3Cl)nc(N)nc12"	0	""	""	1	1	"239486"	"92494536"
"44585"	44585	"pc 298"	"CC(C)Cn1cnc2c(Sc3c(ncn3C)[N+](=O)[O-])nc(N)nc12"	0	""	""	2	1	"239491"	"36892430"
"44684"	44684	"7,8-Dichloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione;hydrochloride"	"CN(C)CCCN1C2=NC(=O)NC(=O)C2=Nc3cc(Cl)c(Cl)cc13"	0	""	""	1	1	"24185927"	NA
"44690"	44690	"pyronin b"	"CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC"	0	""	""	2	2	"16524"	"2150483"
"44753"	44753	"ACM39763025"	"O=C1C=CC(=O)N1CCCCCCCCCCN2C(=O)C=CC2=O"	0	""	""	1	1	"239578"	"39763025"
"45029"	45029	"1,4-naphthoquinone, 2-chloro-3-furfurylamino-"	"ClC1=C(NCc2occc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	"239677"	"22359440"
"45074"	45074	"J3.545.223K"	"NC(Cc1ccccc1)c2nnn[nH]2"	0	""	""	1	1	"239705"	"31603062"
"45114"	45114	"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	"CN(CC(=O)O)Cc1c(O)c(Cl)cc(Cl)c1Cl"	0	""	""	1	1	"239729"	"5389300"
"45182"	45182	"Sodium;4-[(4-fluorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid"	"[Na+].Oc1c(N=Nc2ccc(F)cc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	"135421951"	"6300670"
"45236"	45236	"4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one"	"CC12CCC(O)CC1CCC3C4CCC(C(=O)CC(O)C(F)(F)F)C4(C)CCC23"	0	""	""	2	2	"239763"	"1554321"
"45238"	45238	"[(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C(/OC(=O)C)\C(F)(F)F)\C4=O)[C@@H]3CC=C2C1"	0	""	""	3	2	"5351782"	"1993233"
"45291"	45291	"thiopicolinanilide"	"S=C(Nc1ccccc1)c2ccccn2"	0	""	""	1	1	"759327"	"13225848"
"45384"	45384	"mes (van)"	"COC(=O)c1nc(c(N)c(c1C)c2ccc(OC)c(OC)c2O)c3ccc4C(=O)C(=C(N)C(=O)c4n3)OC"	0	""	""	2	2	"18834"	"3398489"
"45388"	45388	"Dacarbazine"	"CN(C)N=Nc1[nH]cnc1C(=O)N"	0	"A7|AlkAg"	"FDA approved"	59	19	"-1"	"4342034"
"45527"	45527	"m-toluenesulfonamide, 6-[(4-amino-o-tolyl)azo]-"	"Cc1ccc(N=Nc2ccc(N)cc2C)c(c1)S(=O)(=O)N"	0	""	""	1	1	"239838"	"6300103"
"45548"	45548	"acid orange r"	"[Na+].Oc1c(N=Nc2ccccc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	"546692"	"5859007"
"45561"	45561	"Sodium;7-hydroxy-8-[(4-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid"	"[Na+].Cc1ccc(cc1)N=Nc2c(O)ccc3cc(cc(c23)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	"135421996"	"6970225"
"45565"	45565	"p-((p-(Phenylazo)phenyl)azo)phenol"	"Oc1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccccc3"	0	NA	NA	1	1	"99200"	"6250233"
"45595"	45595	"3-hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide"	"Oc1c(cc2ccccc2c1N=Nc3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccccc4"	0	""	""	1	1	"239856"	"6300512"
"45596"	45596	"3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide"	"Oc1c(cc2ccccc2c1N=Nc3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccccc4"	0	""	""	1	1	"239857"	"6300523"
"45641"	45641	"2-Propanone, 2-(9H-purin-6-yl)hydrazone"	"CC(=N\N=C\1/N=CNc2nc[nH]c12)C"	0	""	""	2	2	"520491"	NA
"45730"	45730	"N1-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	"CN(C)CCCNc1c2CCCCc2nc3ccc(Cl)cc13"	0	""	""	2	1	"239932"	"6297843"
"45739"	45739	"2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione"	"ClC1=C(Nc2ccc(Nc3ccccc3)c(NC4=C(Cl)C(=O)c5ccccc5C4=O)c2)C(=O)c6ccccc6C1=O"	0	""	""	1	1	"413256"	"7153722"
"45828"	45828	"purine, 2,6,8-tris(hexylamino)-"	"CCCCCCNc1nc(NCCCCCC)c2[nH]c(NCCCCCC)nc2n1"	0	""	""	2	2	"3354028"	NA
"45831"	45831	"N-benzyl-N,2,4,4-tetramethylpentyl)phenoxy)ethoxy)ethanaminium chloride"	"CC(C)(C)CC(C)(C)Cc1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	NA	NA	1	1	"546785"	NA
"45940"	45940	"1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea"	"COc1cc(NC(=O)NCc2occc2)ccc1c3ccc(NC(=O)NCc4occc4)cc3OC"	0	""	""	1	1	"240061"	"6298302"
"46061"	46061	"butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazi..."	"CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1"	0	NA	NA	3	2	"99516"	NA
"46085"	46085	"thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-nitro..."	"CN(C)CCNc1ccc(c2Sc3ccccc3C(=O)c12)[N+](=O)[O-]"	0	""	""	1	1	"24186124"	NA
"46213"	46213	"1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea"	"CCOc1ccc(NC(=O)Nc2cc(ccc2C)C(C)C)cc1"	0	""	""	2	2	"240168"	"6341384"
"46401"	46401	".alpha.-sarcin"	NA	0	NA	NA	2	2	"99816"	"16714571"
"46598"	46598	"(3Z)-3-benzylidene-6-methylheptane-2,4-dione"	"CC(C)CC(=O)\C(=C/c1ccccc1)\C(=O)C"	0	""	""	1	1	"54603898"	NA
"46647"	46647	"[1-(Ethoxycarbonyl)-2-oxocyclopentyl]acetic acid"	"CCOC(=O)C1(CC(=O)O)CCCC1=O"	0	""	""	1	1	"240444"	"6342785"
"46683"	46683	"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	1	1	"240478"	"6342990"
"46691"	46691	""	"Clc1ccc(\C=N/NC(=N)C(=N)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1"	0	NA	NA	2	2	"100068"	NA
"46728"	46728	"crassin acetate"	"CC(=O)OC1C\C(=C\CC\C(=C/CCC(C)(O)C2CC1C(=C)C(=O)O2)\C)\C"	0	""	""	2	2	"5355441"	"28028684"
"46788"	46788	"8-azaguanosine"	"NC1=NC(=O)c2nnn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	"100118"	"2133804"
"47147"	47147	"Prodigiosin"	"CCCCCC1=C\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135408511"	"82893"
"47384"	47384	"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide"	"NC1=C(Cl)C(=O)c2cc(ccc2C1=O)S(=O)(=O)N.NC3=C(Cl)C(=O)c4ccc(cc4C3=O)S(=O)(=O)N"	0	""	""	2	2	"240739"	NA
"47438"	47438	"Fluorometholone Acetate"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	NA	NA	1	1	"100431"	"3801067"
"47468"	47468	"1-N',2-N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide"	"Oc1ccc(\C=N/NC(=N)C(=N)N\N=C\c2ccc(O)cc2)cc1"	0	""	""	2	2	"135408516"	NA
"47657"	47657	"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene"	"[O-][N+](=O)c1ccc(Oc2cccc(c2)C(F)(F)F)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"240863"	NA
"47713"	47713	"oil red b"	"Oc1ccc2ccccc2c1N=Nc3cccc4ccccc34"	0	NA	NA	1	1	"100571"	"2653647"
"47715"	47715	"Diacromo Blue G"	"[Na+].Oc1cc(c2ccccc2c1N=Nc3ccc4ccccc4c3O)S(=O)(=O)O"	0	NA	NA	1	1	"547003"	"3564145"
"47719"	47719	"safranin"	"Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N"	0	""	""	2	2	"2723800"	"477736"
"47723"	47723	"red l"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccc(cc4)S(=O)(=O)O"	0	NA	NA	2	1	"547008"	"6406560"
"47731"	47731	"gentian violet b"	"CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1"	0	""	""	2	2	"196986"	"603474"
"47786"	47786	"9h-purine, 2-amino-6-(2,4-dichlorobenzylthio)-9-isobutyl-"	"CC(C)Cn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc12"	0	""	""	1	1	"240896"	"94094163"
"48006"	48006	"5-Fluoro-2-Deoxycytidine"	"NC1=NC(=O)N(C=C1F)C2CC(O)C(CO)O2"	0	NA	NA	3	2	"100691"	"10356760"
"48034"	48034	"aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(..."	"Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N3CC3"	0	""	""	2	2	"241000"	NA
"48151"	48151	"NCIMech_000212"	"CC(C)(C)c1ccc(O)c(CN(Cc2cc(ccc2O)C(C)(C)C)C3CCCCC3)c1"	0	""	""	2	1	"241052"	"4660542"
"48160"	48160	"4-Tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol"	"Cc1cc(cc(CNC2CCCCC2)c1O)C(C)(C)C"	0	""	""	1	1	"241059"	"6640900"
"48162"	48162	"1-[[(2-Hydroxynaphthalen-1-yl)methylamino]methylidene]naphthalen-2-one"	"Oc1ccc2ccccc2c1C\N=C\c3c(O)ccc4ccccc34"	0	""	""	1	1	"241061"	"6640911"
"48229"	48229	"NIOSH/DL3650000"	"COc1ccc(cc1OC)c2nc3ccccc3s2"	0	""	""	1	1	"241105"	"6638455"
"48238"	48238	"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea"	"Oc1ccc(Cl)cc1\C=N\NC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	"135408530"	"6638524"
"48241"	48241	"1-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea"	"CCOc1cc(\C=N\NC(=O)N\N=C\c2ccc(O)c(OCC)c2)ccc1O"	0	""	""	2	2	"135408532"	NA
"48269"	48269	"4-Methoxy-9-fluorenone"	"COc1cccc2C(=O)c3ccccc3c12"	0	NA	NA	1	1	"100887"	"4269163"
"48300"	48300	"antineoplastic-48300"	"O[As](=O)(O)c1ccc(Cc2ccc(cc2)[As](=O)(O)O)cc1"	0	""	""	2	2	"241158"	NA
"48526"	48526	""	"O\N=C/1\C(=O)c2ccccc2c3ccccc13"	0	NA	NA	2	2	"101039"	"14140046"
"48630"	48630	""	"CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	2	2	"547146"	NA
"48648"	48648	"GNF-Pf-2144"	"CCSC1=CC(=O)c2ccccc2C1=O"	0	""	""	2	2	"241362"	"36623662"
"48653"	48653	"LS-33601"	"Cc1ccc2C(=O)NSc2c1"	0	""	""	1	1	"96023"	"4337477"
"48693"	48693	"2-(benzo[d]oxazol-3(2h)-ylmethyl)-5-((cyclohexylamino)me..."	"Oc1cc(CN2COc3ccccc23)c(O)cc1CNC4CCCCC4"	0	NA	NA	1	1	"547153"	NA
"48856"	48856	"2,4-Dibromo-6-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]phenol"	"CN(Cc1cc(Br)cc(Br)c1O)Cc2cc(Br)cc(Br)c2O"	0	""	""	1	1	"241461"	"92434827"
"48874"	48874	"Probes1_000359"	"Oc1c(Cl)cc(CN(Cc2cc(Cl)c(O)c(Cl)c2)C3CCCCC3)cc1Cl"	0	""	""	1	1	"241476"	"6640400"
"48888"	48888	"8-Mercaptoquinoline"	"Sc1cccc2cccnc12"	0	NA	NA	2	2	"101278"	"491338"
"48890"	48890	"KSC174Q0B"	"Oc1cccc2CCCNc12"	0	""	""	2	2	"241490"	"6640502"
"48892"	48892	"5-BENZOYLQUINOLIN-8-OL"	"Oc1ccc(C(=O)c2ccccc2)c3cccnc13"	0	""	""	1	1	"241492"	"1028713"
"48956"	48956	"0199AC"	"Nc1ccc2NCCNc2c1"	0	""	""	1	1	"241506"	"6639914"
"49096"	49096	""	"OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1"	0	NA	NA	1	1	"101398"	"6640091"
"49244"	49244	"l-cysteine, s-ethyl- (9ci)"	"CCSCC(N)C(=O)O"	0	NA	NA	1	1	"101516"	"2629596"
"49451"	49451	"Cucurbitacin B"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	2	2	"101605"	"6199673"
"49452"	49452	"Fabacein"	"CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(=O)C"	0	""	""	2	2	"5356030"	"37710137"
"49460"	49460	"1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium"	"CC1=NCC[N+]1(CCc2ccccc2)Cc3ccccc3"	0	""	""	1	1	"413544"	NA
"49488"	49488	"N,N'-bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide"	"Oc1ccccc1\C=N/NC(=O)CCCCCCCCC(=O)N\N=C\c2ccccc2O"	0	""	""	2	2	"135408549"	"5287274"
"49490"	49490	"N,N'-bis[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]decanediamide"	"Oc1ccc(Cl)cc1\C=N/NC(=O)CCCCCCCCC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	2	2	"135408550"	NA
"49495"	49495	"Adipic acid bis(N'-salicylidene hydrazide)"	"Oc1ccccc1\C=N/NC(=O)CCCCC(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	"135408551"	"5287263"
"49502"	49502	"N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide"	"Clc1ccccc1\C=N/NC(=O)CCCCC(=O)N\N=C\c2ccccc2Cl"	0	""	""	1	1	"5539412"	NA
"49512"	49512	"Thiram"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	1	1	"101636"	"137268"
"49520"	49520	"o-tolualdehyde, 4-(bis(2-chloroethyl)amino)-"	"Cc1cc(ccc1C=O)N(CCCl)CCCl"	0	""	""	2	2	"141295"	"26459950"
"49565"	49565	"STL405613"	"Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1"	0	""	""	1	1	"241732"	NA
"49689"	49689	""	"OC(=O)\C=C\C(=O)Nc1cccc2C(=O)c3ccccc3c12"	0	NA	NA	2	2	"101778"	"6632559"
"49733"	49733	"Benzhydrylsulfonylsulfanylmethylbenzene"	"O=S(=O)(SCc1ccccc1)C(c2ccccc2)c3ccccc3"	0	""	""	1	1	"241855"	NA
"49842"	49842	"Vinblastine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	137	78	"-1"	"143679"
"50076"	50076	"d-mannitol, 1,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy..."	"OC(CN(CCCl)CCCl)C(O)C(O)C(O)CN(CCCl)CCCl"	0	NA	NA	1	1	"547316"	NA
"50137"	50137	"2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid"	"OCC(c1ccccc1)S(=O)(=O)O.OS(=O)(=O)Cc2ccccc2"	0	""	""	2	1	"413606"	NA
"50188"	50188	"2'-Chloroflavanone"	"Clc1ccccc1C2CC(=O)c3ccccc3O2"	0	""	""	1	1	"242063"	"6344247"
"50190"	50190	"4'-Chloroflavanone"	"Clc1ccc(cc1)C2CC(=O)c3ccccc3O2"	0	""	""	1	1	"242065"	"3034104"
"50273"	50273	"pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzyl..."	"Cc1cc(ccc1\C=N\c2cccnc2)N(CCCl)CCCl"	0	""	""	2	2	"242100"	NA
"50413"	50413	"tardolyt"	"COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-]"	0	NA	NA	2	2	"102224"	"313677"
"50463"	50463	"N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[3-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenoxy]propoxy]benzamide;hydrochloride"	"O=C(Nc1cccc(c1)C2=NCCN2)c3ccc(OCCCOc4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6)cc3"	0	NA	NA	1	1	"547353"	NA
"50567"	50567	"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	"Cc1cc(C)c2c(SCc3ccc(Cl)cc3Cl)nc(N)nc2n1"	0	""	""	1	1	"242225"	NA
"50643"	50643	"3',5-Dichlorosalicylanilide"	"Oc1ccc(Cl)cc1C(=O)Nc2cccc(Cl)c2"	0	NA	NA	2	2	"102311"	"22203981"
"50648"	50648	"STK366297"	"Oc1c(ccc2ccccc12)C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	"242249"	"71835659"
"50683"	50683	"2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3"	0	NA	NA	1	1	"102342"	"5442400"
"50686"	50686	"sanatol tr"	"Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2O"	0	NA	NA	2	2	"102345"	"92762"
"50827"	50827	"1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea"	"Oc1ccccc1\C=N\NC(=S)N\N=C\c2ccccc2O"	0	""	""	1	1	"135408564"	"6327271"
"50869"	50869	"5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	"COc1cc(cc(OC)c1OC)C(=O)c2ccc3OCOc3c2"	0	""	""	2	2	"242314"	"6327544"
"50974"	50974	""	"OC(=O)CS1CC(=O)O[Cu]12OC(=O)CS2CC(=O)O"	0	NA	NA	2	1	"547403"	NA
"51001"	51001	"carbomycin"	"CO[C@H]1[C@@H](CC(=O)O[C@H](C)C[C@@H]2OC2\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C"	0	NA	NA	1	1	"102559"	"4564878"
"51045"	51045	"N-Acetylcolchinol"	"COc1cc2CC[C@H](NC(=O)C)c3cc(O)ccc3c2c(OC)c1OC"	0	NA	NA	2	2	"102602"	"38838265"
"51046"	51046	"N-Acetylcolchinol, methyl ether"	"COc1ccc2c(c1)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	7	4	"102603"	"65967013"
"51143"	51143	"Pyrazoloimidazole"	"C1Cn2nccc2N1"	0	"Ds|Rs"	""	11	7	"-1"	"6714290"
"51146"	51146	"win 20226"	"CCN(CC)CC(C)Nc1ccc(c2Sc3ccccc3C(=O)c12)[N+](=O)[O-]"	0	""	""	2	2	"24186469"	NA
"51148"	51148	"caddy"	"Cl[Cd]Cl"	0	""	""	8	7	"24947"	"10108642"
"51351"	51351	"chalcone,2-hydroxy-4,6-dimethyl"	"COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1"	0	""	""	1	1	"5356121"	"76554240"
"51361"	51361	"1-[(Z)-(2-nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea"	"[O-][N+](=O)c1ccccc1\C=N\NC(=S)N\N=C\c2ccccc2[N+](=O)[O-]"	0	""	""	1	1	"54601410"	"6344996"
"51369"	51369	"C13H9NOS"	"Oc1cccc(c1)c2nc3ccccc3s2"	0	""	""	1	1	"242605"	"25389280"
"51524"	51524	"sudan j"	"Oc1ccc2ccccc2c1N=Nc3ccccc3"	0	NA	NA	1	1	"102889"	"842079"
"51534"	51534	"Basic Blue 7"	"CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14"	0	NA	NA	2	2	"547502"	"2390605"
"51535"	51535	"navinon black bb"	"[O-][N+](=O)c1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(ccc7c8ccc(c9ccc2c3c49)c5c68)[N+](=O)[O-]"	0	""	""	1	1	"80733"	NA
"51562"	51562	"purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylt..."	"CSc1ncc(Br)c(Sc2nc(N)nc3nc[nH]c23)n1"	0	""	""	1	1	"4393482"	"68498464"
"51857"	51857	"palladate(2-), dichlorobis(6h-purine-6-thionato-n(7),s(6..."	"Cl[Pd]12(Cl)(S=C3N=CNc4[nH]c[n+]1c34)S=C5N=CNc6[nH]c[n+]2c56"	0	""	""	2	2	"135403629"	NA
"51916"	51916	"heptanamide, n,n'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-c..."	"CCCCCCC(=O)NC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NC(=O)CCCCCC"	0	""	""	1	1	"242907"	"4873410"
"52003"	52003	"AF-399/14739252"	"Brc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(Br)cc3"	0	""	""	1	1	"242937"	NA
"52141"	52141	"Nonactin"	"C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1"	0	NA	NA	2	2	"103268"	"6833847"
"52245"	52245	"methylestradiol"	"C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"	0	""	""	1	1	"66413"	"302761"
"52384"	52384	"kc 516"	"CCSc1ncc(Br)c(Sc2nc(N)nc3nc[nH]c23)n1"	0	""	""	1	1	"5228354"	"91348719"
"52389"	52389	""	"OC(=O)C1=C(CN2CCCCC2)C(=O)NC(=O)N1"	0	NA	NA	1	1	"547649"	NA
"52426"	52426	"LS-94160"	"Oc1ccc2ccccc2c1\C=N\N=C/3\NC=C(C=C3)[N+](=O)[O-]"	0	""	""	1	1	"135408599"	"28058357"
"52427"	52427	"LS-144122"	"Oc1ccc(Br)cc1\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	"135408600"	"28058302"
"52429"	52429	"LS-162021"	"COc1ccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])cc1OC"	0	""	""	1	1	"6058184"	"28058379"
"52440"	52440	"6-((4-chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine"	"Clc1ccc(CSc2ncnc3c2ncn3C4CCCCO4)cc1"	0	""	""	1	1	"243154"	NA
"52627"	52627	"NE11486"	"O=C1C=CC(=O)N1c2ccc3ccccc3c2"	0	""	""	1	1	"243251"	"6637452"
"52745"	52745	"1h-naphth[2,3-d]imidazole-4,9-dione, 2-methyl-3-[(4-nitr..."	"Cc1[n+](Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c3n1c5ccccc5"	0	NA	NA	3	3	"547690"	NA
"53101"	53101	"rch 108"	"OC1=CC=C(C=CC1=O)N=O"	0	""	""	2	2	"16807"	"2297941"
"53183"	53183	"8-hydroxy-5-iodoquinoline"	"Oc1ccc(I)c2cccnc12"	0	""	""	1	1	"96111"	"13207631"
"53184"	53184	"2,4,5-Trichloro-6-phenylpyrimidine"	"Clc1nc(Cl)c(Cl)c(n1)c2ccccc2"	0	""	""	1	1	"243422"	"86984192"
"53292"	53292	"Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate"	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(Cc2ccccc2)NC(=O)C"	0	""	""	3	2	"243456"	"13555254"
"53327"	53327	"N,N'-Bis(salicylideneamino)oxamide"	"Oc1ccccc1\C=N/NC(=O)C(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	"135408610"	"5287252"
"53396"	53396	"Actinogen"	"C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CCOC5=O)OC6OC(CO)C(O)C(O)C6O"	0	NA	NA	6	2	"103929"	"36983694"
"53398"	53398	"a 8671k119"	NA	0	NA	NA	4	4	"103931"	"1406720"
"53454"	53454	"2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate"	"CC(=O)OC(C)(C)N=Nc1ccc(Br)cc1"	0	""	""	3	2	"243545"	"6943540"
"53638"	53638	"fluorophenothiazine dihydrochloride"	"OCCOCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1"	0	NA	NA	1	1	"547823"	"1827914"
"53861"	53861	"1-[N'-[4-[(6-methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	"54601442"	NA
"53866"	53866	"Dihydrorotenone"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C"	0	NA	NA	2	2	"104227"	"6659456"
"53892"	53892	"progesterone, 11.beta.,17-dihydroxy-6.alpha.-methyl-"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14"	0	""	""	1	1	"243748"	"7055530"
"54042"	54042	"N'-[1-(2,4-dihydroxyphenyl)ethylidene]isonicotinohydrazide"	"C\C(=N/NC(=O)c1ccncc1)\c2ccc(O)cc2O"	0	""	""	1	1	"135408621"	"792381"
"54044"	54044	"n'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-ca..."	"C\C(=N/NC(=O)c1ccncc1)\c2ccc3ccccc3c2O"	0	""	""	2	2	"135408622"	NA
"54059"	54059	"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-"	"CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C"	0	""	""	4	4	"97887"	"3901517"
"54101"	54101	"Adenine, 9,9'ethylenebis(N,N-dimethyl-"	"CN(C)c1ncnc2c1ncn2CCn3cnc4c(ncnc34)N(C)C"	0	""	""	1	1	"243877"	NA
"54251"	54251	"AK103525"	"OCCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	""	""	1	1	"243943"	"4338481"
"54278"	54278	"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine"	"Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C"	0	""	""	1	1	"243964"	"6944167"
"54340"	54340	"2-aminopregn-5-en-3-yl acetate acetate"	"CCC1CCC2C3CC=C4CC(OC(=O)C)C(N)CC4(C)C3CCC12C"	0	""	""	2	1	"243988"	NA
"54393"	54393	"ALBB-024126"	"[O-][N+](=O)c1ccc(cc1)C2=NCCO2"	0	""	""	1	1	"244028"	"7465636"
"54548"	54548	"1,2-Dimethoxy-4-(2-nitropropenyl)benzene"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1OC"	0	NA	NA	2	1	"104661"	"122474"
"54690"	54690	"N-[(E)-1-(2,3,4-trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide"	"CCCCCCCCC\C(=N/NC(=O)c1ccncc1)\c2ccc(O)c(O)c2O"	0	""	""	2	2	"135408642"	NA
"54702"	54702	"Flumethasone"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO"	0	NA	NA	1	1	"104722"	"2135173"
"54709"	54709	"androst-5-en-17one, 3.beta.-hydroxy-16-(1-pyrrolidinylme..."	"CC12CCC(O)CC1=CCC3C2CCC4(C)C3C\C(=C\N5CCCC5)\C4=O"	0	""	""	1	1	"6147639"	"26013821"
"54848"	54848	"1-[N'-[3-[(6-methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	3	3	"54599371"	"7402111"
"54849"	54849	"1-[N'-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	"54605283"	"7403670"
"54854"	54854	"SY198913"	"OC(=O)Cc1cc(Cl)ccc1O"	0	""	""	2	1	"244199"	"24161384"
"54902"	54902	"vanitile"	"O=C1\C(=C\c2cccs2)\CCC/C/1=C\c3cccs3"	0	NA	NA	2	2	"104870"	"893016"
"54909"	54909	"propan-1-one, 2,3-dichloro-1,3-bis(4-methylphenyl)-"	"Cc1ccc(cc1)C(Cl)C(Cl)C(=O)c2ccc(C)cc2"	0	""	""	2	2	"244246"	NA
"54916"	54916	""	"Clc1ccc(\C=C\2/CCC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	"104884"	"18989827"
"55114"	55114	"NE51905"	"CC(C)(C)CNCCO"	0	""	""	2	1	"244282"	"7403681"
"55236"	55236	"2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole"	"CCCCCCCCCCCCCCCCN1CC2CCCCC2C1"	0	""	""	1	1	"54609620"	"6624164"
"55720"	55720	"phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester"	"[O-][P-](Oc1ccc2ccccc2c1)(N3CC3)N4CC4"	0	NA	NA	1	1	"548108"	"41657414"
"55804"	55804	"n-(2-Nitrophenyl)-9h-xanthen-9-amine"	"[O-][N+](=O)c1ccccc1NC2c3ccccc3Oc4ccccc24"	0	""	""	1	1	"244706"	"6630791"
"55849"	55849	"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone"	"[O-][N+](=O)c1ccc(cc1)C2CN=NC2C(=O)c3ccccc3"	0	""	""	1	1	"244737"	"6631090"
"55861"	55861	"Benzaurin"	"Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccccc3"	0	""	""	1	1	"244745"	"569608"
"56030"	56030	"1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine"	"CCc1ccccc1N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	5	3	"244818"	NA
"56054"	56054	"atpu"	"NC(=N)SCc1c2ccccc2c(CSC(=N)N)c3ccccc13"	0	NA	NA	1	1	"301146"	"3063896"
"56287"	56287	"5-{[5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrimidine-2,4(1h,3h)-dione"	"CSc1nc(Cl)c(Br)c(NC2=CNC(=O)NC2=O)n1"	0	""	""	1	1	"244944"	"7356334"
"56410"	56410	"Porfiromycin"	"CO[C@@]12[C@H](COC(=O)N)C3=C(N1C[C@H]4[C@@H]2N4C)C(=O)C(=C(N)C3=O)C"	0	"A7|AlkAg"	""	8	6	"-1"	"801525"
"56452"	56452	"9-isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine"	"CC(C)Cn1cnc2c(SCc3c(C)ccc4ccccc34)nc(N)nc12"	0	""	""	2	2	"244996"	NA
"56544"	56544	""	"O=C1\C(=C/c2cccs2)\Oc3ccccc13"	0	NA	NA	1	1	"105889"	"6622226"
"56591"	56591	"1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	"54611977"	"6960630"
"56612"	56612	"N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine"	"CCN(CC)CCCC(C)Nc1ccnc2cc(OC)ccc12"	0	""	""	1	1	"245068"	"7597093"
"56624"	56624	"7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine"	"Clc1ccc2c(NC3CCC(CC3)N4CCCCC4)ccnc2c1"	0	""	""	1	1	"245078"	"6632991"
"56633"	56633	"2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid"	"COc1cc(NCCCCCNC(=N)N)c2ncccc2c1"	0	""	""	2	2	"24186907"	"6633074"
"56646"	56646	"N-butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide"	"CCCCNCCCCCNc1cc(OC)cc2cccnc12"	0	""	""	1	1	"54603801"	"6633165"
"56677"	56677	"wln: l b656 hhj de ez fe le"	"Nc1c(Br)cc2c(Cc3cc(Br)ccc23)c1Br"	0	""	""	1	1	"12885"	"724312"
"56736"	56736	"N-[(E)-(3-chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide"	"CC(SC(C)C(=O)N\N=C\c1cccc(Cl)c1)C(=O)N\N=C\c2cccc(Cl)c2"	0	""	""	1	1	"54599374"	"6938994"
"56779"	56779	"4-(1H-benzimidazol-2-ylmethylamino)benzoic acid;hydrochloride"	"OC(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1"	0	""	""	2	2	"54602043"	NA
"56805"	56805	"2,5-Diphenyl-1,4-dithiin"	"S1C=C(SC=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	"245172"	"4159039"
"56808"	56808	"Quinaldine Blue"	"CCN1\C(=C\C=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	NA	NA	1	1	"548271"	"2768903"
"56817"	56817	"(+/-)-gossypol"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	2	1	"106063"	"303457"
"56902"	56902	"GVELGZSFVZANIL-UHFFFAOYSA-N"	"CN1N=C(C)C(=O)N(C)C1=S"	0	""	""	1	1	"245197"	"1566309"
"57048"	57048	"2-Azaadenine"	"Nc1nnnc2nc[nH]c12"	0	""	""	2	2	"5480214"	"2308567"
"57187"	57187	""	"CCOc1ccc(\C=C\[N+](=O)[O-])cc1"	0	NA	NA	1	1	"106254"	"6946301"
"57197"	57197	"Caffeic Acid"	"OC(=O)\C=C\c1ccc(O)c(O)c1"	0	""	"FDA approved"	2	1	"-1"	"331395"
"57199"	57199	"merophan"	"NC(Cc1ccccc1N(CCCl)CCCl)C(=O)O"	0	""	""	2	2	"9571"	"342950"
"57715"	57715	""	"Oc1c(Br)cc(Cl)cc1C(c2cc(Cl)cc(Br)c2O)C(Cl)(Cl)Cl"	0	NA	NA	2	1	"106643"	"7144630"
"57759"	57759	""	"COc1cc(\C=C(\C)/[N+](=O)[O-])ccc1O"	0	NA	NA	2	1	"106675"	"5395471"
"57864"	57864	"NIOSH/XU5145000"	"Cc1ccc(Nc2cc(Cl)c(cc2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	2	2	"245680"	"7508498"
"57958"	57958	"n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline"	"Cc1ccc(NCSc2ccc(Cl)cc2)cc1"	0	""	""	1	1	"245731"	"6632004"
"57969"	57969	"DNDI1416985"	"Oc1c(CN2CCCCC2)ccc3cccnc13"	0	""	""	1	1	"245742"	"6632093"
"58011"	58011	"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione"	"CN(C)c1ccc(cc1)C(O)C2=CC(=O)c3ccccc3C2=O"	0	""	""	1	1	"245772"	"6629192"
"58180"	58180	"2-imidazoline, 2-undecyl-"	"CCCCCCCCCCCC1=NCCN1"	0	""	""	1	1	"245858"	"10443615"
"58239"	58239	"blastmycin"	"CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O"	0	NA	NA	7	5	"106977"	"522703"
"58255"	58255	"11-(4-morpholinyl)-11H-indeno[1,2-b]quinoline"	"C1CN(CCO1)C2c3ccccc3c4nc5ccccc5cc24"	0	""	""	1	1	"245879"	"6626637"
"58329"	58329	"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-"	"OCCCNC(=O)c1cc(Cl)ccc1O"	0	""	""	2	1	"245913"	"6626911"
"58338"	58338	"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione"	"CCN(CC)c1ccc(cc1)C(O)C2=CC(=O)c3ccccc3C2=O"	0	""	""	2	2	"245920"	"6627152"
"58368"	58368	"fugillin dicyclohexylamine salt"	"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(=O)O"	0	NA	NA	4	3	"548508"	NA
"58385"	58385	"thiocyanic acid, 1h-purin-6-yl ester (9ci)"	"N#CSc1ncnc2nc[nH]c12"	0	""	""	2	2	"96185"	"19447735"
"58514"	58514	"Chromomycin A3"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)C)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	26	14	"548532"	"7059247"
"58539"	58539	"Benzoic acid, m-nitro-, salicylidenehydrazide"	"Oc1ccccc1\C=N\NC(=O)c2cccc(c2)[N+](=O)[O-]"	0	""	""	2	2	"135408681"	"82859787"
"58573"	58573	"pyrimidine, 2,4,5-trichloro-6-ethyl-"	"CCc1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	"246015"	"6585484"
"58574"	58574	"pyrimidine, 2,4,5-trichloro-6-propyl-"	"CCCc1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	"246016"	"89793726"
"58575"	58575	"pyrimidine, 2,4,5-trichloro-6-isopropyl-"	"CC(C)c1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	"246017"	"89793715"
"58634"	58634	"2-Bromoethyl 4-chloro-3-nitrobenzoate"	"[O-][N+](=O)c1cc(ccc1Cl)C(=O)OCCBr"	0	""	""	2	2	"246056"	NA
"58903"	58903	"[[(3Z)-3-amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate"	"N=C(NOC(=O)c1ccccc1)C(C2CCCCC2)C(=O)NOC(=O)c3ccccc3"	0	""	""	1	1	"44825805"	NA
"58904"	58904	"hydrocinnamohydroxamic acid,.alpha.-(n-hydroxyamidino)-,..."	"N=C(NOC(=O)c1ccccc1)C(Cc2ccccc2)C(=O)NOC(=O)c3ccccc3"	0	NA	NA	1	1	"107413"	NA
"58905"	58905	"bc 76"	"ClCCn1cnc2c(SCc3ccccc3)ncnc12"	0	""	""	1	1	"246230"	"299138"
"58906"	58906	"bc 77"	"ClCCn1cnc2c(SCc3ccccc3Cl)ncnc12"	0	""	""	2	2	"246231"	"299127"
"58924"	58924	"1,3,5,7,2,4,6,8-tetraazatetraphosphocine, 2,2,4,4,6,6,8,..."	"CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC"	0	""	""	2	2	"246248"	"3960187"
"59220"	59220	"[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxo..."	"[Na+].OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=C(F)C(=O)NC3=O)C(O)C(O)C1O"	0	""	""	3	3	"54609809"	NA
"59267"	59267	"santalin"	"COc1c(O)cc2C(=O)C3=C(CCCC3)C(=O)c2c1O"	0	""	""	1	1	"246331"	"7400104"
"59270"	59270	"sanguinarine nitrate"	"CN1C=C2C3=C(OCO3)C=CC2=C4C=CC5C=C6OCOC6=CC5=C14.O[N+](=O)O"	0	NA	NA	2	2	"548602"	"4752867"
"59275"	59275	"3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide"	"COc1ccc(CC[N+]2(C)COc3cc4OC(=O)C=C(C)c4cc3C2)cc1OC"	0	""	""	1	1	"5351838"	"7460539"
"59276"	59276	""	"COc1ccc2OCN(Cc2c1)[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C"	0	NA	NA	2	1	"107576"	NA
"59413"	59413	"4-(3H-imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride"	"OC(=O)c1ccc(cc1)N2CC3=Nc4ccccc4[N+]3=C2"	0	""	""	1	1	"5351839"	NA
"59450"	59450	""	"COc1ccccc1\C=C\[N+](=O)[O-]"	0	NA	NA	1	1	"107693"	"3316243"
"59620"	59620	"(4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a..."	"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5CC(=CC(=O)[C@@H]5[C@@]4(C)C(=O)C[C@H]23)C)C1"	0	""	""	1	1	"246496"	NA
"59684"	59684	"n-butyltriphenylphosphonium bromide"	"CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"159628"	"1779517"
"59687"	59687	"Acetalax"	"CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4"	0	"NonCan:Cath"	"FDA approved"	2	2	"-1"	"115333"
"59729"	59729	"sparsomysin"	"CSCS(=O)C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	7	3	"107825"	"1404644"
"59814"	59814	"critex"	"Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4"	0	""	""	4	4	"31315"	"125133"
"59937"	59937	"(2-Methoxyphenyl)(naphthalen-2-yl)methanone"	"COc1ccccc1C(=O)c2ccc3ccccc3c2"	0	""	""	1	1	"246624"	NA
"59984"	59984	"EX-A776"	"CN1CCN(CC1)C(=O)\C=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"5356520"	NA
"59994"	59994	"4-(alpha-Chloroacetyl)antipyrine"	"CN1N(C(=O)C(=C1C)C(=O)CCl)c2ccccc2"	0	""	""	1	1	"246657"	"6630735"
"59996"	59996	"nitrin (van)"	"Nc1ccccc1\C=N\Nc2ccccc2"	0	""	""	1	1	"5375979"	"553742"
"60043"	60043	"benzoic acid, 4-[(1h-naphth-[2,3-d]imidazol-2-ylmethyl)-..."	"OC(=O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	3	3	"246676"	"6630291"
"60044"	60044	"4-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride"	"OC(=O)c1ccc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1"	0	""	""	1	1	"24187152"	"17033599"
"60064"	60064	"ZZDNKHNYMZVZGJ-UHFFFAOYSA-N"	"CCOC(=O)C(=Cc1ccccc1Br)C(=O)OCC"	0	""	""	1	1	"246693"	"93098670"
"60288"	60288	"p-Toluidine, N-allyl-"	"Cc1ccc(NCC=C)cc1"	0	""	""	1	1	"246779"	"15258465"
"60387"	60387	"tylocrebrin"	"COc1ccc2c3CN4CCC[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1OC"	0	""	""	3	1	"246845"	"6879023"
"60785"	60785	"2,3-(3',2'-indolo)-5.alpha.-androstan-17.beta.-ol"	"CC12CCC3C(CC[C@H]4Cc5[nH]c6ccccc6c5CC34C)C1CCC2O"	0	NA	NA	2	2	"108753"	"22847865"
"60898"	60898	"1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone"	"ClCC(=O)N1c2ccccc2Oc3ccc4ccccc4c13"	0	""	""	2	2	"247104"	"6621654"
"61586"	61586	"phleomycin (8ci 9ci)"	"[R]C(=O)c1csc(n1)C2CSC(=N2)CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NCC(N)C(=O)N)C(OC4OC(CO)C(O)C(O)C4OCCC5OC(CO)C(O)C(OC(=O)N)C5O)c6c[nH]cn6)C(=O)C"	0	NA	NA	4	2	"109025"	"11006330"
"61711"	61711	"2-oh-e2"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O"	0	""	""	2	2	"247304"	"362050"
"61747"	61747	"N-Prop-2-enyl-7H-purine-6-sulfonamide"	"C=CCNS(=O)(=O)c1ncnc2nc[nH]c12"	0	""	""	1	1	"5351841"	"90223748"
"61772"	61772	"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol"	"CC(C)c1cc(C(C)C)c(Cl)c(Cl)c1O.CC(C)c2cc(Cl)c(O)c(C(C)C)c2Cl"	0	""	""	1	1	"247339"	NA
"61805"	61805	"kantaridin"	"C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O"	0	""	"FDA approved"	3	2	"5944"	"56257"
"61837"	61837	"retusin (van)"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"109203"	"1245154"
"61900"	61900	""	"Fc1ccc2ccc3c(C(=O)OC3(c4ccccc4)c5ccccc5)c2c1"	0	NA	NA	1	1	"109263"	"2907177"
"62343"	62343	"3-Bromopyruvate (acid)"	"OC(=O)C(=O)CBr"	0	"Mito|HK2"	"Clinical trial"	2	1	"-1"	"1113593"
"62372"	62372	"ACM24209903"	"Oc1ccc(OCCOc2ccc(O)cc2)cc1"	0	""	""	1	1	"247525"	"24209903"
"62485"	62485	""	"CCCCCN(CCCCC)CC(O)c1cc2CCCCc2c3ccccc13"	0	NA	NA	1	1	"548928"	"5416773"
"62586"	62586	"((imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	"CN1C(=O)N(C)c2nc(C(=N)SCC(=O)O)n(C)c2C1=O"	0	""	""	1	1	"247616"	NA
"62709"	62709	"ipas"	"COC1=C(O)c2ccc(nc2C3=NC(C)(C)N=C13)c4nc(C(=O)O)c(C)c(c4N)c5ccc(OC)c(OC)c5O"	0	""	""	1	1	"247673"	"15964315"
"62752"	62752	"pyrimidine, 2,4-diamino-6-(p-iodoanilino)-5-nitroso-"	"Nc1nc(N)c(N=O)c(Nc2ccc(I)cc2)n1"	0	""	""	1	1	"247696"	"49753482"
"62791"	62791	"ergosterol"	"CC(C)C(C)\C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C"	0	""	"FDA approved"	2	1	"-1"	NA
"62857"	62857	"apt (radioprotective)"	"NCCCSC(=N)N"	0	NA	NA	2	2	"548964"	"7072404"
"62914"	62914	"antioxidant 80"	"Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(Cc3cc(C)cc(c3O)C(C)(C)C)c1"	0	NA	NA	2	1	"109830"	"90686"
"63357"	63357	"m-cresol, 4,6-dichloro-5-ethyl-"	"CCc1c(Cl)c(C)cc(O)c1Cl"	0	""	""	1	1	"247901"	"1127602"
"63549"	63549	"prednisolone, 9-fluoro-6.alpha.-methyl-, acetate"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	NA	NA	1	1	"110097"	"432337"
"63629"	63629	"1h-pyrazolo[3,4-d]pyrimidine, 4-amino-1-(p-chlorobenzyl)-"	"Nc1ncnc2c1cnn2Cc3ccc(Cl)cc3"	0	""	""	2	1	"247946"	NA
"63701"	63701	"vengicide"	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N"	0	NA	NA	12	3	"110120"	"606586"
"63786"	63786	"ARONIS017515"	"NC(=S)N\N=C\c1c[nH]c2ccccc12"	0	""	""	1	1	"135400404"	"6868286"
"63839"	63839	"fixierer p"	"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C"	0	NA	NA	1	1	"110146"	"959524"
"63878"	63878	"Cytarabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	"Ds"	"FDA approved"	138	123	"-1"	"69749"
"63984"	63984	"Cordycepin"	"Nc1ncnc2c1ncn2C3OC(CO)CC3O"	0	"Ds"	"Clinical trial"	1	1	"-1"	"73030"
"64087"	64087	"sordinol"	"OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(Cl)cc24)CC1"	0	NA	NA	2	1	"549092"	"633590"
"64111"	64111	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	"549101"	"1519455"
"64342"	64342	"4747AC"	"COC(=O)c1nc(Cl)nc(Cl)c1Cl"	0	""	""	1	1	"248061"	"89284855"
"64692"	64692	""	"CCOC(=O)C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])(NC(=O)C)C(=O)OCC"	0	NA	NA	2	2	"110392"	"6958334"
"64703"	64703	"Diethyl(acetylamino)({5-[bis(2-chloroethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2ccc(cc12)N(CCCl)CCCl)(NC(=O)C)C(=O)OCC"	0	""	""	3	3	"248139"	NA
"64798"	64798	"AC-907/25004561"	"COc1n[n+]([O-])c(C)cc1[N+](=O)[O-]"	0	""	""	1	1	"6405305"	"4683878"
"64821"	64821	""	"CN(C)c1ccc(cc1)C(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C"	0	NA	NA	1	1	"549183"	NA
"64875"	64875	"3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-n,n-dimethy..."	"CN(C)CCCN1CCC2(CCC(CC2)C(C)(C)C)CC1"	0	NA	NA	2	2	"549195"	NA
"64945"	64945	"A822229"	"COc1ccc(\C=C\c2ccnc3ccccc23)cc1OC"	0	""	""	1	1	"6184681"	"2878639"
"65022"	65022	"1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea"	"Oc1ccc(Cl)cc1\C=N\NC(=S)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	"135460243"	"6956361"
"65104"	65104	"septacidin"	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2[nH]cnc3ncnc23)OC1C(O)CO"	0	NA	NA	11	7	"301149"	"62362598"
"65238"	65238	"abieta-8,11,13-trien-18-amine benzoate"	"CC(C)c1ccc2c(CCC3C(C)(CN)CCCC23C)c1"	0	""	""	3	1	"248381"	NA
"65239"	65239	"accel r"	"C1CN(CCO1)SSN2CCOCC2"	0	""	""	1	1	"7648"	"103344"
"65346"	65346	"sangivamycin"	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	12	2	"110741"	"18417895"
"65381"	65381	"aquamycin"	"NC(=O)C#CC(=O)N"	0	NA	NA	4	2	"110751"	"543215"
"65537"	65537	"benzenesulfonamide, m-(4-amino-3-methoxy-1-naphthylazo)-"	"COc1cc(N=Nc2cccc(c2)S(=O)(=O)N)c3ccccc3c1N"	0	""	""	2	2	"248466"	NA
"65601"	65601	"p-(2-Nitropropenyl)anisole"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1"	0	""	""	2	2	"5372879"	"17354631"
"65628"	65628	"STK386853"	"C\C(=C/c1c[nH]c2ccccc12)\[N+](=O)[O-]"	0	""	""	1	1	"5291187"	"22693512"
"65814"	65814	"N-(4-Diethylaminobenzylideneamino)guanidine"	"CCN(CC)c1ccc(\C=N\NC(=N)N)cc1"	0	""	""	1	1	"9561622"	NA
"65860"	65860	"2,7-naphthalenedisulfonic acid, 3-hydroxy-4-[[4-[[4-[4- ..."	"Oc1c(N=Nc2ccc(Sc3ccc(NC(=O)c4ccc(cc4)N=Nc5c(O)c(cc6cc(ccc56)S(=O)(=O)O)S(=O)(=O)O)cc3)cc2)c7ccc(cc7cc1S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	"415011"	"7401469"
"65921"	65921	"fluorene, 9-bromo-2,4,7-trichloro-"	"Clc1ccc2c(c1)C(Br)c3cc(Cl)cc(Cl)c23"	0	""	""	1	1	"248608"	"7012193"
"66020"	66020	"2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrro..."	"Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1"	0	""	""	1	1	"64983"	"30195303"
"66211"	66211	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline"	"Cc1ccc(cc1)N(CSc2ccc(Cl)cc2)CSc3ccc(Cl)cc3"	0	""	""	1	1	"248767"	"6969137"
"66214"	66214	"laurodin"	"CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12"	0	""	""	2	1	"67354"	"146372"
"66230"	66230	"STK258698"	"[O-][N+](=O)c1cccc(c1)C(Br)C(Br)C(=O)c2ccccc2"	0	""	""	1	1	"248781"	"6968996"
"66259"	66259	""	"OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	5	1	"549426"	"2968287"
"66301"	66301	"1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine"	"NC(=N)N\N=C(\c1ccccc1)/c2ccc(Cl)cc2"	0	""	""	1	1	"5356780"	"19992951"
"66323"	66323	"4-Hexadecyl-4-methylmorpholin-4-ium;methyl sulfate"	"CCCCCCCCCCCCCCCC[N+]1(C)CCOCC1"	0	""	""	1	1	"24187598"	"6964154"
"66366"	66366	"AMOT0288"	"Brc1ccc(Br)nn1"	0	""	""	2	2	"248852"	"17973863"
"66380"	66380	"[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium;chloride"	"C[N+](C)(C)c1nc(N)nc2c1ncn2C3OC(CO)C(O)C3O"	0	""	""	1	1	"5351860"	"68743168"
"66457"	66457	"AE-406/41056674"	"CC1=C(SCc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"248894"	"2593591"
"66543"	66543	"ALBB-023208"	"COC(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"248909"	"2213798"
"66902"	66902	"AK-25511"	"Clc1ncnc(Cl)c1Cl"	0	""	""	1	1	"249007"	"1780274"
"66914"	66914	"pyrimidine, 2,4,6-trichloro-5-propyl-"	"CCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"249012"	"58811"
"66917"	66917	"4,5,6-Trichloro-2-phenylpyrimidine"	"Clc1nc(nc(Cl)c1Cl)c2ccccc2"	0	""	""	2	1	"249015"	"1207847"
"66933"	66933	"carbamic acid, diethyldithio-, anhydrosulfide with metha..."	"CCN(CC)C(=S)SS(=O)(=O)C"	0	""	""	1	1	"249018"	NA
"67015"	67015	"mercaptoacetate"	"CCCC[Sn]1(CCCC)OC(=O)CS1"	0	NA	NA	2	2	"111783"	"78206"
"67025"	67025	"Dypnone guanyl hydrazone hydrochloride"	"C\C(=C\C(=N\NC(=N)N)\c1ccccc1)\c2ccccc2"	0	NA	NA	1	1	"549536"	"25747368"
"67041"	67041	"1-(4-nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea"	"CCCCC\C=C/C\C=C\CCCCCCCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"5356823"	"6964869"
"67090"	67090	"5,7-Dibromo-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol"	"COc1cc(\C=C\c2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O"	0	""	""	2	2	"135460261"	NA
"67091"	67091	"AC1OB7T2"	"Oc1ccc2ccccc2c1\C=C\c3ccc4c(Br)cc(Br)c(O)c4n3"	0	""	""	2	2	"135422273"	NA
"67118"	67118	"43F8Q05RYE"	"NC(=N)NN=C(c1ccccc1)c2ccccc2"	0	""	""	1	1	"249134"	"4353440"
"67209"	67209	"2-Methylthio-1,4-naphthoquinone"	"CSC1=CC(=O)c2ccccc2C1=O"	0	""	""	1	1	"96324"	"26037605"
"67239"	67239	"Azaribine"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2N=CC(=O)NC2=O"	0	NA	NA	1	1	"111933"	"2169644"
"67477"	67477	"2-[(Z)-[(2-fluorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride"	"NC(=N)N\N=C(\c1ccccc1)/c2ccccc2F"	0	""	""	2	2	"54608243"	"1511371"
"67478"	67478	"2-[(Z)-[(4-methylphenyl)-phenylmethylidene]amino]guanidine;hydrochloride"	"Cc1ccc(cc1)\C(=N/NC(=N)N)\c2ccccc2"	0	""	""	2	2	"54603621"	"21083909"
"67480"	67480	"2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride"	"Cc1ccc(cc1)C(=NNC(=N)N)c2ccc(C)cc2"	0	""	""	2	1	"54599910"	"21083921"
"67574"	67574	"Vincristine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	67	25	"249332"	"2068782"
"67580"	67580	"5'-Methoxynobiletin"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	"72815"	"6965362"
"67586"	67586	"2-naphthacenecarboxamide, n-[(6,7-dihydro-7-oxo-v-triazo..."	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC4=Nc5[nH]nnc5C(=O)N4)C(=O)c6c(O)cccc6[C@@]3(C)O"	0	""	""	3	3	"135422275"	NA
"67588"	67588	"2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,..."	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCc4nc5c(S)ncnc5[nH]4)C(=O)c6c(O)cccc6[C@@]3(C)O"	0	""	""	1	1	"54706004"	NA
"67601"	67601	"AM806322"	"Cn1cc(CO)c2ccccc12"	0	""	""	1	1	"23406"	"6965442"
"67603"	67603	"AM806323"	"Cc1[nH]c2ccccc2c1CO"	0	""	""	1	1	"249349"	"6967711"
"67714"	67714	""	"c1ccc(cc1)[P+](C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"549640"	"7253078"
"67774"	67774	"Diethyl(acetylamino)[(6-nitro-1h-indol-3-yl)methyl]propanedioate"	"CCOC(=O)C(Cc1c[nH]c2cc(ccc12)[N+](=O)[O-])(NC(=O)C)C(=O)OCC"	0	""	""	3	2	"249442"	"7355900"
"67798"	67798	"4,5,6-Trichloro-2-ethylpyrimidine"	"CCc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	1	1	"249454"	"1197304"
"67799"	67799	"pyrimidine, 2,4,6-trichloro-5-ethyl-"	"CCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"249455"	"1780387"
"67817"	67817	"everfree"	"CN1C(=S)SC(N=Nc2ccc(cc2)[N+](=O)[O-])C1=O"	0	NA	NA	1	1	"112307"	"962027"
"67925"	67925	"2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid"	"NC(=N)NN=C1C(=O)c2ccccc2C1=O"	0	""	""	1	1	"54609874"	NA
"68075"	68075	"thalicarpin"	"COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc4cc5C[C@@H]6N(C)CCc7cc(OC)c(OC)c(c67)c5cc4OC)cc1OC"	0	""	""	13	3	"21470"	"5373422"
"68088"	68088	"guanidine, [(p-fluoro-.alpha.-phenylbenzylidene)amino]-,..."	"NC(=N)N\N=C(\c1ccccc1)/c2ccc(F)cc2"	0	""	""	2	1	"54599426"	"1511382"
"68091"	68091	"vancide pa"	"CCCS(=O)(=O)\C=C/S(=O)(=O)CCC"	0	NA	NA	3	3	"112505"	"1113140"
"68092"	68092	"vancide pb"	"[O-][N+](=O)c1cc(c(Cl)c(Cl)c1Cl)[N+](=O)[O-]"	0	""	""	1	1	"22875"	"6379460"
"68093"	68093	"Zinc pyrithione"	"O1=n2ccccc2S[Zn]13O=n4ccccc4S3"	0	""	""	2	2	"415267"	NA
"68154"	68154	"1-[(Z)-benzylideneamino]-2-[(E)-benzylideneamino]guanidine"	"N=C(N\N=C\c1ccccc1)N\N=C\c2ccccc2"	0	""	""	1	1	"54602470"	"3560869"
"68155"	68155	"1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine"	"CCOc1ccccc1\C=N\NC(=N)N\N=C\c2ccccc2OCC"	0	""	""	1	1	"54606037"	NA
"68294"	68294	"6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)"	"N1C=NC2=S[Hg]3(S=C4N=CNc5[nH]c[n+]3c45)[n+]6c[nH]c1c26"	0	NA	NA	3	3	"549732"	"15635253"
"68558"	68558	"Q27251898"	"Oc1ccccc1\C=N\Nc2ccccc2"	0	""	""	1	1	"135460273"	"614653"
"68989"	68989	"alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-n-(n-form..."	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(Cc2ccccc2)NC=O"	0	""	""	3	2	"250002"	"13331674"
"69049"	69049	"5-chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one"	"ClC1=C(N\N=C(\C(=O)c2ccccc2)/c3ccccc3)C=NNC1=O"	0	""	""	1	1	"9561703"	NA
"69187"	69187	"methoxyelliptione"	"COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"	0	""	""	6	4	"72512"	"10371865"
"69294"	69294	"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5C6C(CC(=C45)OC(=O)C)C(=O)N(Cc7ccccc7)C6=O)C3CC=C2C1"	0	""	""	1	1	"250204"	NA
"69413"	69413	"1-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine"	"COc1ccccc1\C=N\NC(=N)N\N=C\c2ccccc2OC"	0	""	""	2	2	"54601314"	NA
"69509"	69509	"ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate"	"CCCCCCCCCCCC(c1ccccc1)[N+](C)(C)C"	0	""	""	1	1	"21144271"	NA
"69573"	69573	"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane"	"C(N1CCC2(CC1)SSC3(CCN(Cc4ccccc4)CC3)SS2)c5ccccc5"	0	""	""	1	1	"250319"	NA
"69575"	69575	"5-((5-((5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone"	"O=C1O\C(=N/c2cccc3c(cccc23)\N=C\4/OC(=O)C=C4)\C=C1"	0	""	""	1	1	"250321"	"6959951"
"69577"	69577	""	"CC1=CC(=O)N(C1=O)c2cccc3c(cccc23)N4C(=O)C=C(C)C4=O"	0	NA	NA	2	2	"113371"	NA
"69600"	69600	"quinoline, 4-(p-methoxystyryl)- (8ci)"	"COc1ccc(\C=C\c2ccnc3ccccc23)cc1"	0	""	""	1	1	"5377590"	"2859554"
"69603"	69603	"Quinoline, 4-(2,5-dimethoxystyryl)-"	"COc1ccc(OC)c(\C=C\c2ccnc3ccccc23)c1"	0	""	""	3	2	"5929717"	"2859521"
"69604"	69604	""	"COc1cc(\C=C\c2ccnc3ccccc23)cc(OC)c1OC"	0	NA	NA	1	1	"113394"	"2859985"
"69608"	69608	"Purine-6-thiol, ethyl carbonate"	"CCOC(=O)Sc1ncnc2nc[nH]c12"	0	""	""	1	1	"580739"	"92352222"
"69811"	69811	"mibt"	"CN1C(=O)\C(=N/NC(=S)N)\c2ccccc12"	0	NA	NA	1	1	"113437"	"1910685"
"69830"	69830	"alanine, n-(n-acetyl-l-leucyl)-3-[p-[bis(2-chloroethyl)a..."	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C"	0	NA	NA	2	2	"113453"	"4213381"
"69852"	69852	"spermine hydrochloride"	"NCCCNCCCCNCCCN"	0	NA	NA	2	2	"549886"	"306672"
"69856"	69856	"zinostatin"	NA	0	NA	NA	2	1	"113460"	"9014022"
"69911"	69911	"2-[(E)-furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid"	"CC(C)c1cc(c(C)cc1O)S(=O)(=O)O.NC(=N)N\N=C\c2occc2"	0	""	""	2	1	"9561735"	NA
"69917"	69917	"2-[(Z)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine"	"Cc1ccc(\C=C\C(=N\NC(=N)N)\c2ccccc2)cc1"	0	""	""	1	1	"9561739"	NA
"69945"	69945	"Phosphoramide mustard cyclohexylamine salt"	"NP(=O)(O)N(CCCl)CCCl"	0	""	""	3	2	"96355"	"1566150"
"70092"	70092	"palladate(2-), chlorobis(1,9-dihydro-6h-purine-6-thionat..."	"Cl[Pd]12(\S=C\3/N=CNc4[nH]cnc34)(S=C5N=CNc6[nH]c[n+]1c56)S=C7N=CNc8[nH]c[n+]2c78"	0	""	""	4	3	"498063"	NA
"70194"	70194	"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid"	"CC(C)C12CCC3(CCC4C(C)(CCCC4(C)C(=O)O)C3C1)C(CN)C2"	0	""	""	1	1	"250607"	"7143911"
"70555"	70555	"(2z)-6-Amino-1,3-dibenzyl-2-imino-2,3-dihydropyrimidin-4(1h)-one"	"NC1=CC(=O)N(Cc2ccccc2)C(=N)N1Cc3ccccc3"	0	""	""	2	1	"250781"	NA
"70568"	70568	"2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride"	"C(C(Cc1ccccc1)C2=NCCCN2)c3ccccc3"	0	""	""	1	1	"54599069"	NA
"70660"	70660	""	"CCN(CC)c1ccc(cc1)C(=O)c2ccc(cc2)N(CC)CC"	0	NA	NA	2	2	"113976"	NA
"70811"	70811	"XYVPTQBXFHRJJR-VHEBQXMUSA-N"	"COc1ccc(cc1)N=Nc2c(O)ccc3ccccc23"	0	""	""	1	1	"139450"	"13411911"
"70845"	70845	"nogalamycin"	"COC1C(C)OC(O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@H]7O[C@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC"	0	NA	NA	3	3	"114031"	"1404155"
"70874"	70874	"Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)- (8CI)"	"CCCCN(C)N=Nc1[nH]cnc1C(=O)N"	0	""	""	2	1	"135460287"	"18910593"
"70929"	70929	"Hedamycin"	"CC1OC(CC(C1O)N(C)C)c2cc(C3CC(C)(C(O)C(C)O3)N(C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C)cc5C(=O)c24)C7(C)OC7C8OC8C"	0	""	""	11	2	"98033"	"11048978"
"70931"	70931	"Celastrol"	"CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O"	0	""	""	2	2	"122724"	NA
"70933"	70933	"Cycliramine Maleate"	"CN1CCC(=C(c2ccc(Cl)cc2)c3ccccn3)CC1"	0	""	""	1	1	"5357113"	"5781373"
"71090"	71090	"propiolic acid, (p-nitrophenyl)-, methyl ester"	"COC(=O)C#Cc1ccc(cc1)[N+](=O)[O-]"	0	""	""	3	2	"251019"	"7515153"
"71097"	71097	"(Z)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one"	"Oc1ccc(Cl)cc1C(=O)\C=C\c2ccc3ccccc3n2"	0	""	""	1	1	"40491342"	"7209758"
"71261"	71261	"Beta-Thioguanine Deoxyriboside"	"NC1=NC(=S)c2ncn(C3CC(O)C(CO)O3)c2N1"	0	"Ds"	""	11	8	"-1"	"789617"
"71300"	71300	"7ZC34TF8SX"	"COc1ccc(OC)c(c1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	"251112"	"70460309"
"71302"	71302	"YB1PP1M8P8"	"COc1cc(OC)cc(c1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	"251114"	"70460296"
"71381"	71381	"(1,3,2-dithiarsolan-2-ylthio)acetic acid"	"OC(=O)CS[As]1SCCS1"	0	""	""	2	1	"96378"	"7749055"
"71423"	71423	"Megestrol Acetate"	"CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C"	0	"Ho|PGR"	"FDA approved"	2	2	"11683"	"595335"
"71426"	71426	"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol"	"OCC1OC(O)C(\N=C\c2ccc3OCOc3c2)C(O)C1O"	0	""	""	2	1	"251176"	NA
"71536"	71536	"eulan nk"	"Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1Cl"	0	""	""	1	1	"77265"	"3687705"
"71669"	71669	"NCIMech_000140"	"Nc1nc(N)c(c(Cc2cccc(c2)C(F)(F)F)n1)c3cccc(c3)C(F)(F)F"	0	""	""	2	2	"415629"	"1548910"
"71677"	71677	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-"	"ClCC(=O)N1c2ccccc2Sc3c1ccc4ccccc34"	0	""	""	1	1	"251355"	"3640004"
"71717"	71717	"2-[(E)-1-(4-fluorophenyl)pentylideneamino]guanidine"	"CCCC\C(=N/NC(=N)N)\c1ccc(F)cc1"	0	""	""	1	1	"9561770"	NA
"71795"	71795	"Ellipticine"	"Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	7	3	"3213"	"519233"
"71850"	71850	"[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate"	"FC1=CN(C2CC(OC(=O)c3ccccc3)C(CSC(=O)c4ccccc4)O2)C(=O)NC1=O"	0	""	""	1	1	"251458"	"2383360"
"71851"	71851	"A-TGdR"	"NC1=NC(=S)c2ncn(C3CC(O)C(CO)O3)c2N1"	0	"Ds"	""	11	8	"-1"	"2133815"
"71935"	71935	"duramycin"	"CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C3NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)CNC(=O)C(Cc6ccccc6)NC(=O)C7CNCCCCC(NC(=O)C8NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(NC(=O)C(CSCC(NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(N)CSC8C)C(=O)NC(CSC3C)C(=O)N7)NC1=O)C(O)C(=O)O)C(=O)O"	0	NA	NA	1	1	"114798"	"1391362"
"72055"	72055	"sulfonium, dodecyldimethyl- iodide"	"CCCCCCCCCCCC[S+](C)C"	0	""	""	3	2	"19021065"	"18412812"
"72115"	72115	"tetrahydroalstonine"	"COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12"	0	NA	NA	1	1	"114926"	"6474904"
"72151"	72151	"coumarin, 6-[[p-[bis(hydroxyethyl)amino]benzylidene]amin..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc3OC(=O)C=Cc3c2)cc1"	0	""	""	5	4	"251586"	"14415464"
"72234"	72234	"plicatic acid"	"COc1cc2C(O)C(CO)C(O)(C(c3cc(O)c(O)c(OC)c3)c2cc1O)C(=O)O"	0	NA	NA	1	1	"114999"	NA
"72254"	72254	"2-hydroxy-2-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,..."	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC5(O)C(=O)c6ccccc6C5=O"	0	""	""	1	1	"251630"	NA
"72274"	72274	"sp i"	"CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	"115028"	"1508458"
"72533"	72533	""	"NC(=N)N\N=C\c1ccc(O)c(c1)C(=O)O"	0	NA	NA	1	1	"550328"	NA
"72564"	72564	"isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl- (8ci)"	"Nc1c(cccc1C(=O)Nc2ccc(cc2)C3=NCCN3)C(=O)Nc4ccc(cc4)C5=NCCN5"	0	""	""	2	1	"251786"	"21696264"
"72862"	72862	"colubrine, beta"	"COc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2c1"	0	NA	NA	1	1	"115361"	"509364"
"72881"	72881	"N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide"	"Oc1ccc2ccccc2c1\C=N\NC(=O)C3CC3"	0	""	""	1	1	"135460295"	NA
"72914"	72914	"Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate"	"COC(=O)C1C2CCC(C(C(=O)OC)C1=O)N2C"	0	""	""	2	1	"5351875"	NA
"72917"	72917	"Brucine, dihydro-"	"COc1cc2N3C4C5C(CC3=O)OCCC6CN7CCC4(C7CC56)c2cc1OC"	0	NA	NA	1	1	"115386"	"34403902"
"72939"	72939	""	"CN1CCCC1c2cccnc2.OC(=O)c3ccccc3O.O=C4[O-][Mn+2]56([OH+]c7ccccc7C(=O)[O-]5)([OH+]c8ccccc8C(=O)[O-]6)[OH+]c9ccccc49"	0	NA	NA	1	1	"550402"	NA
"72942"	72942	"noformicin"	"NC(=N)CCNC(=O)C1CCC(=N1)N"	0	NA	NA	3	2	"115398"	NA
"72961"	72961	"8-azadenosine"	"Nc1ncnc2c1nnn2C3OC(CO)C(O)C3O"	0	NA	NA	5	5	"115409"	"10299442"
"73013"	73013	"4-aminopiazthiole"	"Nc1cccc2nsnc12"	0	""	""	2	2	"69845"	"767646"
"73019"	73019	"4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde"	"ClCCN(CCCl)c1ccc(C=O)c(Cl)c1"	0	""	""	2	2	"251946"	"65611349"
"73048"	73048	""	"N=C1Cc2ccccc2c3ccccc3C1C#N"	0	NA	NA	1	1	"115469"	"7443472"
"73101"	73101	"1,4,5,6,7,7-hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	"OC(=O)C1C(C(=O)Nc2ccc3c(Cc4ccccc34)c2)C5(Cl)C(=C(Cl)C1(Cl)C5(Cl)Cl)Cl"	0	""	""	1	1	"252008"	NA
"73109"	73109	""	"C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	2	1	"115527"	"3664902"
"73233"	73233	"ppm-18"	"O=C(NC1=CC(=O)c2ccccc2C1=O)c3ccccc3"	0	""	""	2	2	"4882"	"65240860"
"73241"	73241	"DNDI1417146"	"Oc1ccccc1\C=N/NC(=S)Nc2ccc(F)cc2"	0	""	""	2	2	"135435713"	"16113374"
"73287"	73287	"KSC352Q4B"	"Clc1ncccc1C#N"	0	""	""	2	1	"81079"	"6602546"
"73300"	73300	"Thujaplicin mixture"	"CC(C)C1=CC=C(O)C(=O)C=C1.CC(C)C2=CC=CC(=O)C(=C2)O.CC(C)C3=CC=C(O)C(=O)C(=C3)O.CC(C)C4=C(O)C(=O)C=CC=C4"	0	""	""	2	2	"252101"	NA
"73306"	73306	"3-[(p-methoxyphenyl)-thiosemicarbazono]-2-indolinone"	"COc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	NA	NA	3	2	"115652"	NA
"73346"	73346	"guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-"	"Cc1cc(C)nc(NC(=N)NCCc2ccccc2)n1"	0	""	""	1	1	"252116"	"55474823"
"73396"	73396	"VVMOFVNFPBAHLP-UHFFFAOYSA-N"	"Clc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1"	0	""	""	2	2	"70418"	"972203"
"73411"	73411	"corioflavine r"	"Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N"	0	""	""	1	1	"38475"	"6441732"
"73413"	73413	"chrome black s"	"[Na+].Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4cc(ccc34)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	2	1	"550448"	"3618584"
"73495"	73495	"Chelocardin dodecyl sulfate"	"CC(=O)C1=C(O)C(N)C2Cc3c(C)c4ccc(C)c(O)c4c(O)c3C(=O)C2(O)C1=O"	0	""	""	2	1	"415844"	NA
"73705"	73705	"CC-07311"	"NC(=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"96425"	"13550884"
"73735"	73735	"redoxal"	"COc1cc(ccc1Nc2ccccc2C(=O)O)c3ccc(Nc4ccccc4C(=O)O)c(OC)c3"	0	""	""	4	3	"72571"	"52962955"
"73754"	73754	"Fluorodopan"	"CC1=C(N(CCF)CCCl)C(=O)NC(=O)N1"	0	"A7"	""	11	4	"13268"	"834913"
"74199"	74199	"pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5..."	"CNc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1"	0	""	""	1	1	"252368"	"91192700"
"74437"	74437	"Epoxypiperazine"	"C(C1CO1)N2CCN(CC3CO3)CC2"	0	""	""	2	2	"98074"	"2917988"
"74663"	74663	"LAVBKIWRWNKSGD-UHFFFAOYSA-N"	"O=S(=O)(Cc1ccccc1)SCc2ccccc2"	0	""	""	2	2	"252586"	"16601404"
"74702"	74702	"Indanthren Corinth RK"	"O=C(Nc1ccc(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c5C(=O)c6ccccc6C(=O)c15)c7ccccc7"	0	""	""	2	2	"5351878"	"4003365"
"74859"	74859	"2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid"	"Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2"	0	""	""	2	2	"252682"	NA
"74947"	74947	"noxin"	"Oc1ccc(c2cccnc12)[N+](=O)[O-]"	0	NA	NA	1	1	"116681"	"4008484"
"75140"	75140	"benzenesulfonamide, 4-[(6,7-dihydro-6-thioxo-1h-purin-8-..."	"NS(=O)(=O)c1ccc(cc1)N=Nc2nc3NC=NC(=S)c3[nH]2"	0	""	""	2	2	"3246283"	NA
"75382"	75382	"3,4-dibromosulfolane"	"BrC1CS(=O)(=O)CC1Br"	0	NA	NA	1	1	"117005"	"15091302"
"75520"	75520	"tfdu"	"OCC1OC(CC1O)N2C=C(C(=O)NC2=O)C(F)(F)F"	0	"TYMS"	"FDA approved"	2	2	"-1"	"70008"
"75627"	75627	"meso-2,3-Diphenylsuccinic acid"	"OC(=O)[C@H]([C@H](C(=O)O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"253131"	"1225134"
"75747"	75747	"5-(6-mercapto-9H-purin-9-yl)pentanoic acid"	"OC(=O)CCCCn1cnc2C(=S)N=CNc12"	0	""	""	1	1	"3246285"	"3342889"
"75782"	75782	"pheophorbide b"	"CCc1c(C=O)c2cc3nc(cc4[nH]c([C@@H](CCC(=O)O)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c(cc1[nH]2)nc56)c(C)c3C=C"	0	NA	NA	1	1	"117231"	NA
"75890"	75890	"pyrazolanthrone"	"O=C1c2ccccc2c3n[nH]c4cccc1c34"	0	""	""	1	1	"8515"	"129566"
"75957"	75957	"8-[-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,6-d..."	"[Na+].Oc1ccc2ccccc2c1N=Nc3cc(cc4cccc(c34)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	"135534342"	NA
"76023"	76023	"toddalin"	"COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC"	0	""	""	1	1	"5351594"	"478035"
"76064"	76064	"benzylpenillic acid"	"CC1(C)SC2C(N=C(Cc3ccccc3)N2C1C(=O)O)C(=O)O"	0	""	""	1	1	"253302"	"13093873"
"76150"	76150	""	"C1CCN(CC1)[C@H]2OCCC2OC3OC4COC(C4OC3N5CCCCC5)N6CCCCC6"	0	NA	NA	1	1	"117462"	NA
"76175"	76175	"(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one"	"Oc1ccc(Cl)cc1C(=O)\C=C\c2ccncc2"	0	""	""	1	1	"5357374"	"2110103"
"76351"	76351	"Uridine, 2'-deoxy-5-fluoro-5'-thio-"	"OC1CC(OC1CS)N2C=C(F)C(=O)NC2=O"	0	""	""	5	3	"253426"	"2010211"
"76356"	76356	"9.beta.-d-arabinofuranosyl-2-chloroadenine"	"Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	"117579"	"10147123"
"76387"	76387	"tylophorin"	"COc1cc2c3C[C@@H]4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC"	0	NA	NA	1	1	"117604"	"482202"
"76411"	76411	"olivomycin"	"COC(C1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C(C)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O"	0	NA	NA	7	2	"550914"	"102647165"
"76455"	76455	"peliomycin (usan)"	NA	0	NA	NA	4	1	"117640"	"1404202"
"76518"	76518	"1-(4-Bromophenyl)-3-carbamoylurea"	"NC(=O)NC(=O)Nc1ccc(Br)cc1"	0	""	""	3	1	"253519"	NA
"76519"	76519	"inosine, 6-thio-, 2',3',5'-tris(4-methoxybenzoate)"	"COc1ccc(cc1)C(=O)OCC2OC(C(OC(=O)c3ccc(OC)cc3)C2OC(=O)c4ccc(OC)cc4)n5cnc6C(=S)N=CNc56"	0	""	""	1	1	"4351018"	NA
"76523"	76523	"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl"	"Cc1c(cc(c(c2c(cc(c(C)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"253522"	"14185445"
"76627"	76627	"Ossamycin"	"CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC4CCC(C(C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C\[C@@H]5CC(C)(C)O[C@@]5(O)C[C@H](O2)[C@H]3C)O1"	0	""	""	2	2	"5351598"	NA
"76751"	76751	"Nobiletin"	"COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	1	1	"117869"	"478013"
"76779"	76779	"streptorubrin"	"CCCCC1CCCCCCc2cc1c(\C=C\3/N=C(C=C3OC)c4ccc[nH]4)[nH]2"	0	NA	NA	2	1	"117896"	"56208072"
"76808"	76808	"mimbane (usan)"	"Cn1c2[C@@H]3C[C@@H]4CCCC[C@H]4CN3CCc2c5ccccc15"	0	NA	NA	2	1	"117923"	"3277596"
"76885"	76885	"7-Aminoquinoline-5,8-dione"	"NC1=CC(=O)c2cccnc2C1=O"	0	NA	NA	1	1	"117940"	"64636915"
"76919"	76919	"2-pyridinecarboxylic acid, 5-amino-6-(7-amino-1,2,3,4,5,..."	"COC1=C(N)C(=O)C2=C(CCC(N2)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O)C1=O"	0	""	""	3	2	"253712"	NA
"76937"	76937	"4-(anilinomethyl)-N,N-bis(2-chloroethyl)aniline"	"ClCCN(CCCl)c1ccc(CNc2ccccc2)cc1"	0	""	""	1	1	"253728"	NA
"76952"	76952	"9h-purine-6-thiol, 9-.beta.-d-ribofuranosyl-, 2',3',5'-t..."	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)n2cnc3C(=S)N=CNc23"	0	""	""	1	1	"4019652"	"7764809"
"76955"	76955	"kc 1260"	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	2	2	"3521514"	"7764785"
"76991"	76991	"[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate"	"COc1cc(cc(OC)c1OC)C#CC(=O)OC\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	"5357424"	NA
"77007"	77007	"Diethyl(acetylamino)({7-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2c(cccc12)N(CCO)CCO)(NC(=O)C)C(=O)OCC"	0	""	""	2	1	"253773"	NA
"77021"	77021	"6.alpha.,9-difluoroprednisolone"	"C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO"	0	""	""	4	3	"101859"	"806291"
"77038"	77038	"litomycin"	"CC1OC2CC(=O)OC2C3=C1C(=O)c4c(O)c5c(C6CC(O)C5(O)C(C)O6)c(O)c4C3=O"	0	NA	NA	2	2	"118060"	"19879062"
"77039"	77039	"8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride"	"CC1=CC(=O)Oc2c(CN(CCCl)CCCl)c(O)ccc12"	0	""	""	1	1	"24188551"	"14522191"
"77140"	77140	"(o-methylbenzyl)triphenylphosphonium bromide"	"Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"197738"	"1530365"
"77141"	77141	"ACM2378861"	"Cc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1"	0	""	""	2	2	"11797662"	"2378861"
"77213"	77213	"Procarbazine"	"CNNCc1ccc(cc1)C(=O)NC(C)C"	0	"A7|AlkAg"	"FDA approved"	51	2	"9703"	"366701"
"77471"	77471	"mitocromin"	NA	0	NA	NA	2	1	"118303"	"11043984"
"77495"	77495	"inosine, 6-thio-, 2',3',5'-tripentanoate"	"CCCCC(=O)OCC1OC(C(OC(=O)CCCC)C1OC(=O)CCCC)n2cnc3C(=S)N=CNc23"	0	""	""	2	2	"4208664"	NA
"77502"	77502	"Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-"	"Nc1nc(SN=Nc2ccc(cc2)S(=O)(=O)N)c3[nH]cnc3n1"	0	""	""	2	2	"4642645"	NA
"77541"	77541	"amuno"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3"	0	""	"FDA approved"	1	1	"20071791"	"28751453"
"77556"	77556	"kc 1275"	"CCC(=O)OCC1OC(C(OC(=O)CC)C1OC(=O)CC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	1	1	"5035970"	"42558883"
"77643"	77643	"6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride"	"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(O)cc13"	0	""	""	1	1	"24188580"	NA
"77809"	77809	"benzo[b]quinolizinium, 6-methyl- bromide"	"Cc1c2ccccc2cc3cccc[n+]13"	0	""	""	1	1	"19921723"	NA
"77810"	77810	"naphtho[1,2-b]quinolizinium, 9-methyl-, bromide"	"Cc1cccc2cc3c(ccc4ccccc34)c[n+]12"	0	""	""	1	1	"21144314"	NA
"77830"	77830	"camolar"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2.OC(=O)c3cc4ccccc4c(Cc5c(O)c(cc6ccccc56)C(=O)O)c3O"	0	""	""	2	2	"11870"	"609789"
"77950"	77950	"cirolerosus"	NA	0	NA	NA	3	1	"118568"	"11056125"
"78015"	78015	"Maybridge1_005563"	"COc1ccc(cc1)C(=O)c2ccc(OC)cc2OC"	0	""	""	1	1	"254174"	"4038157"
"78018"	78018	"3h-pyrrolo[3,2-f]quinolinium, 2,3,6,7-tetramethyl-, iodide"	"Cc1ccc2c3cc(C)n(C)c3ccc2[n+]1C"	0	""	""	1	1	"24188629"	NA
"78206"	78206	"Cyclobenzaprine Hydrochloride"	"CN(C)CCC=C1c2ccccc2C=Cc3ccccc13"	0	""	"FDA approved"	1	1	"-1"	"6202239"
"78298"	78298	"N,N-bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline"	"ClCCN(CCCl)c1ccc(cc1)n2cnc3c(Cl)ncnc23"	0	""	""	1	1	"254234"	"16208041"
"78312"	78312	"[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	2	2	"5254146"	NA
"78325"	78325	"2-[4-[(Z)-4-[4-[2-(diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride"	"CCN(CC)CCOc1ccc(cc1)\C(=C(\CC)/c2ccc(OCCN(CC)CC)cc2)\CC"	0	""	""	2	2	"54605975"	NA
"78365"	78365	"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	"CCCCOc1ccc(NC(=N)Nc2ccc(Cl)cc2)cc1"	0	""	""	2	2	"254258"	NA
"78508"	78508	"wln: t56 bn dn fn hnj d4 is1"	"CCCCn1cnc2c(SC)ncnc12"	0	""	""	1	1	"96530"	"15923485"
"78572"	78572	"wln: t66 bnj bo emq &gh"	"ONc1cc[n+]([O-])c2ccccc12"	0	NA	NA	2	2	"551182"	"1010613"
"78627"	78627	"naphtho[2,1-b]quinolizinium, 7,10-dimethyl- perchlorate"	"Cc1ccc2c(C)c3ccc4ccccc4c3c[n+]2c1"	0	""	""	2	2	"21144325"	NA
"78629"	78629	"naphtho[1,2-b]quinolizinium, 10,13-dimethyl- chloride"	"Cc1ccc2c(C)c3c(ccc4ccccc34)c[n+]2c1"	0	""	""	1	1	"20245316"	NA
"78634"	78634	"4h-1-benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphe..."	"COc1cc(OC)c(C2=C(O)C(=O)c3ccccc3O2)c(OC)c1"	0	""	""	2	2	"254343"	NA
"78714"	78714	"Clothixamide Maleate"	"CNC(=O)CCN1CCN(CC\C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1"	0	NA	NA	2	1	"118891"	NA
"79037"	79037	"Lomustine"	"ClCCN(N=O)C(=O)NC1CCCCC1"	0	"A6|AlkAg"	"FDA approved"	55	6	"-1"	"13010474"
"79093"	79093	"Gardenin B"	"COc1ccc(cc1)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	2	2	"119195"	"2798201"
"79139"	79139	"AT-051/43421285"	"Nc1ccc(\C=C\c2ccc3ncccc3c2)cc1"	0	""	""	1	1	"5936795"	"54820"
"79140"	79140	"AT-051/43421286"	"Nc1ccc(\C=C\c2ccc3cccnc3c2)cc1"	0	""	""	1	1	"5937681"	"54831"
"79250"	79250	"Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate"	"CCOC(=O)c1ccc(cc1)N(CCC(=O)CCl)C=O"	0	""	""	2	2	"254720"	"4261023"
"79304"	79304	"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone"	"CC1C(C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl"	0	""	""	2	1	"254760"	"6699509"
"79456"	79456	"3-nitro-2',4'-salicyloxylidide"	"Cc1ccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c(C)c1"	0	""	""	1	1	"186171"	"33581087"
"79459"	79459	"5'-chloro-2'-methoxy-3-nitrosalicylanilide"	"COc1ccc(Cl)cc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	2	1	"186169"	"33581054"
"79543"	79543	"pyridinium, 5-ethyl-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-..."	"CCc1ccc(\C=C\c2ccc(O)c3ncccc23)[n+](C)c1"	0	""	""	2	2	"135534376"	"2246802"
"79563"	79563	"1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyr..."	"Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c4cc5ccccc5c6ccccc46)cc1"	0	""	""	1	1	"254860"	NA
"79606"	79606	"3-(5,6a-dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid"	"CCC(=O)OC1CCC2C3CCC(=O)OC3C(C)(CCC(=O)O)CC12C"	0	""	""	1	1	"254882"	NA
"79687"	79687	"N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide"	"Oc1ccc2C(=CC(=O)Oc2c1)CC(=O)N\N=C\c3ccc(cc3)N(CCCl)CCCl"	0	""	""	1	1	"9615407"	"14522204"
"79688"	79688	"N-[(E)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide"	"Cc1cc(ccc1\C=N\NC(=O)CC2=CC(=O)Oc3cc(O)ccc23)N(CCCl)CCCl"	0	""	""	1	1	"5351196"	"14415431"
"80103"	80103	"2,3-butanediol, 1,4-bis(2-methyl-1-aziridinyl)- (8ci)"	"CC1CN1CC(O)C(O)CN2CC2C"	0	NA	NA	2	2	"119647"	"15870209"
"80111"	80111	"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline"	"ClCCN(CCCl)c1ccc(OCc2ccccc2)cc1"	0	""	""	1	1	"254980"	"17794353"
"80126"	80126	"cyclopentanecarboxylic acid, 1-amino-, benzyl ester, p-t..."	"NC1(CCCC1)C(=O)OCc2ccccc2"	0	""	""	1	1	"254983"	NA
"80141"	80141	"6,7-dichloro-9H-fluoren-2-amine"	"Nc1ccc2c(Cc3cc(Cl)c(Cl)cc23)c1"	0	""	""	1	1	"254996"	NA
"80186"	80186	"chrysonex"	"Nc1cc2c3ccccc3ccc2c4ccccc14"	0	""	""	2	2	"17534"	"2642980"
"80396"	80396	"1,3-butanedione, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-"	"FC(F)(F)C(=O)CC(=O)c1csc2ccccc12"	0	""	""	1	1	"96570"	"392290"
"80465"	80465	"1h-naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-4,..."	"Cc1[n+](C)c2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	NA	NA	2	2	"551495"	NA
"80466"	80466	"1h-naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-3-..."	"CC(C)Cn1c(C)[n+](C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	3	3	"24188900"	NA
"80467"	80467	"1h-naphth[2,3-d]imidazolium, 4,9-dihydro-2-methyl-1-(2-m..."	"CC(C)C[n+]1c(C)n(CC(=O)c2ccc(cc2)[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c13"	0	NA	NA	2	2	"551497"	NA
"80469"	80469	"1h-naphth[2,3-d]imidazolium, 4,9-dihydro-1-isopropyl-3-m..."	"CC(C)n1c(\C=C\c2ccccc2)[n+](C)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	5	5	"54605678"	NA
"80734"	80734	"carbanilide, 4,4''-oxybis[4'-cyano-"	"O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(cc3)C#N)cc2)cc1)Nc4ccc(cc4)C#N"	0	""	""	1	1	"255329"	NA
"80735"	80735	"carbanilide, 4,4''-oxybis[4'-nitro"	"[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Oc3ccc(NC(=O)Nc4ccc(cc4)[N+](=O)[O-])cc3)cc2)cc1"	0	""	""	2	1	"255330"	NA
"80756"	80756	"wln: t66 bnj e1u1r bo1 do1 eo1"	"COc1cc(OC)c(\C=C\c2ccnc3ccccc23)cc1OC"	0	""	""	5	2	"5351198"	"2878628"
"80870"	80870	"hydrouracil, 5-bromo-1-(2-deoxy-.beta.-d-erythro-pentofu..."	"COC1N(C2CC(O)C(CO)O2)C(=O)NC(=O)C1(F)Br"	0	NA	NA	5	4	"120162"	"1031614"
"80948"	80948	"p-benzenediacrylanilide, 3',3''-bis(1,4,5,6-tetrahydro-2..."	"O=C(Nc1cccc(c1)C2=NCCCN2)\C=C\c3ccc(\C=C\C(=O)Nc4cccc(c4)C5=NCCCN5)cc3"	0	NA	NA	2	1	"551561"	NA
"80997"	80997	"ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1..."	"C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C)cnn5c6ccccc6"	0	""	""	2	2	"255437"	"14000432"
"80998"	80998	"Cortivazol"	"CC1CC2C3C=C(C)C4=Cc5c(CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(=O)C)cnn5c6ccccc6"	0	""	"FDA approved"	2	2	"-1"	"1110403"
"81048"	81048	"7-Chloro-6-methoxyquinoline-5,8-dione"	"COC1=C(Cl)C(=O)c2ncccc2C1=O"	0	""	""	2	2	"255470"	"59962968"
"81052"	81052	"streptonigrin analog (meo-n3)"	"COC1=C(N=[N+]=[N-])C(=O)c2ncccc2C1=O"	0	""	""	3	3	"494043"	"14097337"
"81206"	81206	"Lithium;[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	"[Li+].OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"54604163"	"980187"
"81260"	81260	"nitrocresolamine"	"Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12"	0	""	""	2	2	"4421615"	"82337"
"81274"	81274	"benzophenone, 3,3',4,4',5-pentamethoxy- (8ci)"	"COc1ccc(cc1OC)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"255605"	"22699974"
"81280"	81280	""	"BrCc1cccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	NA	NA	1	1	"551611"	NA
"81303"	81303	"N-fluoranthen-2-ylacetamide"	"CC(=O)Nc1cc2c3ccccc3c4cccc(c1)c24"	0	""	""	1	1	"255622"	"13823557"
"81403"	81403	"ketone, 7-(p-fluorophenyl)-1,2,3,3a,3b,7,10,10a,10b,11,1..."	"C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)cnn5c6ccc(F)cc6"	0	""	""	2	2	"255700"	NA
"81465"	81465	"N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride"	"CN(C)CCCN(CCC1CCCCC1)CCC2CCCCC2"	0	""	""	2	2	"54609597"	NA
"81517"	81517	"benz[c]acridin-7(5h)-one, 6,6a,12,12a-tetrahydro-5,5-dim..."	"CC1(C)CC2C(Nc3ccccc3C2=O)c4ccccc14"	0	""	""	2	2	"255766"	NA
"81540"	81540	"2-[3-[Cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile"	"Oc1ccccc1C2N(CCCN2C(C#N)c3ccccc3)C(C#N)c4ccccc4"	0	""	""	1	1	"416751"	"2164707"
"81747"	81747	"1-((Benzylamino)methyl)-2-naphthalenethiol"	"Sc1ccc2ccccc2c1CNCc3ccccc3"	0	""	""	1	1	"255831"	NA
"81767"	81767	"cinnamamide, p-[bis(2-bromoethyl)amino]-.alpha.-cyano-"	"NC(=O)\C(=C/c1ccc(cc1)N(CCBr)CCBr)\C#N"	0	""	""	2	2	"6282616"	NA
"81947"	81947	"dibask"	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2"	0	NA	NA	2	2	"120791"	"87127"
"82013"	82013	"p-toluidine, .alpha.-inden-1-ylidene-n-methyl- (8ci)"	"CNc1ccc(\C=C/2\C=Cc3ccccc23)cc1"	0	NA	NA	1	1	"120813"	"443298"
"82025"	82025	"2',3-dinitro-p-salicylotoluidide"	"Cc1ccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	1	1	"255922"	"73454907"
"82028"	82028	"benzamide, n-(2,3-dimethylphenyl)-2-hydroxy-3-nitro- (9ci)"	"Cc1cccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c1C"	0	""	""	2	2	"255923"	"73454963"
"82029"	82029	"2',5'-salicyloxylidide, 3-nitro-"	"Cc1ccc(C)c(NC(=O)c2cccc(c2O)[N+](=O)[O-])c1"	0	""	""	1	1	"45953"	"63981168"
"82109"	82109	"iodonium, dimesityl- chloride"	"Cc1cc(C)c([I+]c2c(C)cc(C)cc2C)c(C)c1"	0	""	""	2	2	"54609598"	NA
"82116"	82116	"gloxazon"	"CCOC(C)\C(=N/NC(=S)N)\C=N\NC(=S)N"	0	NA	NA	2	2	"120866"	"2507917"
"82133"	82133	"algocor"	"CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3"	0	""	""	1	1	"6237"	"68906"
"82151"	82151	"Daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	134	96	"-1"	"23541506"
"82219"	82219	"adenosine, 4'-thio-"	"Nc1ncnc2c1ncn2C3SC(CO)C(O)C3O"	0	NA	NA	1	1	"120951"	"2500803"
"82260"	82260	"Benzathine tenuazonate"	"CC[C@@H](C)[C@@H]1NC(=O)C(=C1O)C(=O)C.C(CNCc2ccccc2)NCc3ccccc3"	0	NA	NA	1	1	"120968"	"18413371"
"82274"	82274	"Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate"	"CCOC(=O)c1ccc(cc1)N(CCOS(=O)(=O)c2ccc(C)cc2)CCOS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"256046"	"15314348"
"82339"	82339	"wln: t56 a bn entj a- dt6nj"	"C1CN2CCN(C1)C2c3ccncc3"	0	""	""	1	1	"96625"	"13022805"
"82489"	82489	"C15014"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C\C(=N/O)\C2=O"	0	""	""	2	2	"9561873"	"60834459"
"82493"	82493	"2-propanone, 1,3-dimercapto-, semicarbazone"	"NC(=O)NN=C(CS)CS"	0	""	""	2	1	"256143"	"3984303"
"82587"	82587	"l-tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylen..."	"NC(Cc1ccc(O)cc1)C(=O)N\N=C\c2ccc(cc2)N(CCCl)CCCl"	0	""	""	1	1	"9568284"	NA
"82655"	82655	"1-nitro-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine"	"N\C(=N/N=C/c1ccc(cc1)c2ccccc2)\N[N+](=O)[O-]"	0	""	""	2	2	"24189043"	"41467894"
"82802"	82802	"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](c5cc([nH]n5)C(F)(F)F)[C@@]4(C)CC[C@H]23"	0	""	""	2	2	"256248"	NA
"82803"	82803	"(3s,8s,9r,10s,13r)-17-(1-acetyl-5-(trifluoro methyl)-1h-..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4c5cc(n(n5)C(=O)C)C(F)(F)F)[C@@H]3CC=C2C1"	0	""	""	2	1	"256249"	NA
"82892"	82892	"nogalamycin compound b"	"COC(=O)c1c(C)ccc2c(O)c3C(=O)c4c(O)cc5c(OC6(C)OC5(C)C(O)C(C6O)N(C)C)c4C(=O)c3cc12"	0	""	""	4	2	"4348193"	NA
"83014"	83014	"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone"	"CC(C)CC(=O)CC(O)C(Cl)(Cl)Cl"	0	""	""	1	1	"256296"	"22703726"
"83066"	83066	"8-quinolinol, 5-(chloromethyl)-, hydrochloride"	"Oc1ccc(CCl)c2cccnc12"	0	NA	NA	1	1	"551802"	"4053456"
"83110"	83110	"J-502985"	"ClCCNC(=O)Nc1cccnc1"	0	""	""	1	1	"256330"	"13908582"
"83142"	83142	"Daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	2	2	"-1"	"20830813"
"83193"	83193	"setoglaucin"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl"	0	""	""	3	2	"107404"	"3521060"
"83216"	83216	"apocannoside"	"[R]OC1CCC2(C=O)C(CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1"	0	""	""	1	1	"5459315"	NA
"83219"	83219	"n-(p-styrylphenyl)acetohydroxamic acid"	"CC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1"	0	NA	NA	2	2	"121444"	"18559950"
"83223"	83223	"silver methylsulfonate"	"[Ag+].CS(=O)(=O)O"	0	NA	NA	1	1	"551827"	"2386529"
"83224"	83224	"925876PZ8X"	"NCCNC(=S)S"	0	""	""	1	1	"3246302"	"20950849"
"83233"	83233	"naphthalene, 1,5-bis(chloromethyl)-"	"ClCc1cccc2c(CCl)cccc12"	0	""	""	1	1	"74424"	"1733762"
"83265"	83265	"Trityl cysteine"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O"	0	"TUBB"	""	12	6	"-1"	"2799077"
"83279"	83279	"Agecorynin C"	"COc1cc(OC)c(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	2	2	"256420"	"70460310"
"83281"	83281	"4h-1-benzopyran-4-one, 5,6,7,8-tetramethoxy-2-[4-(1-meth..."	"COc1c(OC)c(OC)c2C(=O)C=C(Oc2c1OC)c3ccc(OC(C)C)cc3"	0	""	""	2	2	"256422"	"70460263"
"83292"	83292	"6h-pyrido[4,3-b]carbazole, 1-(p-chlorophenyl)-3,4-dihydr..."	"Cc1c2CCN=C(c3ccc(Cl)cc3)c2cc4c5ccccc5[nH]c14"	0	""	""	5	3	"256427"	"4241423"
"83300"	83300	"Ethyl fluoranthen-3-ylcarbamate"	"CCOC(=O)Nc1ccc2c3ccccc3c4cccc1c24"	0	""	""	1	1	"256431"	NA
"83318"	83318	"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-"	"Oc1cc(Cl)c(N=Nc2ccc(cc2)[N+](=O)[O-])c(Cl)c1"	0	""	""	1	1	"256444"	"88210371"
"83321"	83321	"STK756818"	"C(=C1c2ccccc2c3ccccc13)c4ccccn4"	0	""	""	1	1	"256447"	"2871274"
"83327"	83327	"1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea"	"CCCNC(=O)Nc1ccc2c(Cc3cc(ccc23)N(CCCl)CCCl)c1"	0	""	""	1	1	"256452"	"6662948"
"83340"	83340	"iyomycin b1"	"Cn1cnc2nc(Cl)nc(N)c12"	0	NA	NA	2	2	"121543"	"11030130"
"83343"	83343	"5-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile"	"ClCCN(CCCl)c1ccc(\C=N\c2cnc(C#N)s2)cc1"	0	""	""	1	1	"9568291"	"92550282"
"83459"	83459	"indole-2,3-dione, 3-(4,4-dimethyl-3-thiosemicarbazone)"	"CN(C)C(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	2	1	"256526"	"6452080"
"83492"	83492	"1,3-Benzodioxol-5-yl[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	"Clc1cccc(c1)N2CCN(CC2)C(=S)c3ccc4OCOc4c3"	0	""	""	2	2	"256556"	NA
"83502"	83502	"(3,4-Dimethoxyphenyl)[4-(3-methylphenyl)piperazin-1-yl]methanethione"	"COc1ccc(cc1OC)C(=S)N2CCN(CC2)c3cccc(C)c3"	0	""	""	1	1	"256566"	NA
"83606"	83606	"4-Benzoyl-3-hydroxyphenyl 2-ethylhexanoate"	"CCCCC(CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1"	0	""	""	1	1	"256608"	NA
"83628"	83628	"p-diazodiphenylamine sulfate-paraformaldehyde polymer"	"OS(=O)(=O)O.C=O.N#[N+]c1ccc(Nc2ccccc2)cc1"	0	""	""	1	1	"416926"	"9070364"
"83633"	83633	""	"CC(C)CC(N)C(=O)Nc1ccc2ccccc2c1"	0	NA	NA	1	1	"551900"	NA
"83715"	83715	"STL361983"	"N1C(Nc2cccc3cccc1c23)c4cccnc4"	0	""	""	1	1	"256661"	"6584414"
"83950"	83950	"nigrin"	"COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O"	0	NA	NA	6	2	"121832"	"3930196"
"84033"	84033	"C15001"	"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]4(C)C=C(C[C@@H]34)C=O)C1"	0	""	""	1	1	"256729"	"65065578"
"84061"	84061	"SXPXVPGJBRZVLW-UHFFFAOYSA-M"	"CCOCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"24189128"	"25361697"
"84063"	84063	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)Oc4ccccc4"	0	NA	NA	2	2	"551925"	"22409832"
"84064"	84064	"(2-(Benzyloxy)ethyl)triphenylphosphonium bromide"	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4"	0	""	""	1	1	"24189130"	NA
"84069"	84069	"wln: ro3pr&r&r &e &4/12"	"C(COc1ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"3048782"	"63985671"
"84073"	84073	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"551933"	"7333677"
"84074"	84074	"phosphonium, (3-bromopropyl)triphenyl- bromide"	"BrCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"2723862"	"3607178"
"84086"	84086	"7-{[(2-Bromophenyl)amino](phenyl)methyl}quinolin-8-ol"	"Oc1c(ccc2cccnc12)C(Nc3ccccc3Br)c4ccccc4"	0	""	""	1	1	"256750"	NA
"84092"	84092	"7-[(Naphthalen-1-ylamino)(phenyl)methyl]quinolin-8-ol"	"Oc1c(ccc2cccnc12)C(Nc3cccc4ccccc34)c5ccccc5"	0	""	""	1	1	"256754"	NA
"84093"	84093	"7-(phenyl(p-tolylamino)methyl)quinolin-8-ol"	"Cc1ccc(NC(c2ccccc2)c3ccc4cccnc4c3O)cc1"	0	""	""	2	1	"256755"	NA
"84094"	84094	"Enamine_000429"	"Oc1c(ccc2cccnc12)C(Nc3ccccn3)c4ccccc4"	0	""	""	2	2	"256756"	NA
"84096"	84096	"8-quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-"	"Oc1c(ccc2cccnc12)C(Nc3cccc4cccnc34)c5ccccc5"	0	""	""	1	1	"256758"	NA
"84145"	84145	""	"OC(=O)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"551943"	"51114944"
"84167"	84167	"B1A8BPF5U8"	"OC(=O)c1ccc2C(=O)c3ccccc3c4ncnc1c24"	0	""	""	2	2	"72574"	"65359162"
"84248"	84248	"Phenylmercury benzoate"	"O=C(O[Hg]c1ccccc1)c2ccccc2"	0	""	""	2	2	"16682929"	"94439"
"84423"	84423	"ethidium chloride"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	1	1	"551971"	"602528"
"84429"	84429	"metofurone"	"[O-][N+](=O)c1oc(cc1)C(=O)CCl"	0	""	""	2	2	"21753"	"5579953"
"84661"	84661	""	"[O-][N+](=O)c1c(Br)sc(Br)c1[N+](=O)[O-]"	0	NA	NA	1	1	"122310"	"52431308"
"85068"	85068	"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol"	"Cc1nc(N)nc2SC(O)CCc12"	0	""	""	1	1	"257143"	"92503667"
"85069"	85069	"2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol"	"CC1=C(CCCNc2ccccc2)C(=S)N=C(N)N1"	0	""	""	1	1	"3246306"	"2360681"
"85230"	85230	"indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-, m..."	"COC(=O)CCc1c[nH]c2ccc(cc12)N(CCCl)CCCl"	0	""	""	2	2	"257269"	"93017664"
"85234"	85234	"Pinnatifidin"	"CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12"	0	""	""	1	1	"73465"	"35730859"
"85235"	85235	"ambrosin"	"CC1CCC2C(OC(=O)C2=C)C3(C)C1C=CC3=O"	0	NA	NA	3	3	"122584"	"509933"
"85236"	85236	"Helenalin"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]3(C)[C@H]1C=CC3=O"	0	""	""	2	2	"23205"	"6754138"
"85242"	85242	"Coronopilin"	"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]3(C)C(=O)CC[C@@]13O"	0	NA	NA	1	1	"122591"	"2571815"
"85262"	85262	"5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	"CCNCCC1(CC)C(=O)NC(=O)NC1=O"	0	""	""	2	1	"257295"	NA
"85323"	85323	"V1G7II8M3G"	"Cc1nnc2ccccc2c1O"	0	""	""	1	1	"257352"	"7317820"
"85372"	85372	"(Z)-3-cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid"	"OC(=O)\C(=C(\C#N)/c1ccc(cc1)c2cccc3ccccc23)\O"	0	""	""	1	1	"3246307"	NA
"85431"	85431	""	"CC(C)NCCC(O)c1oc2ccccc2c1"	0	NA	NA	1	1	"552038"	NA
"85442"	85442	"Amiodarone Hydrochloride"	"CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3"	0	""	"FDA approved"	2	1	"-1"	"19774824"
"85450"	85450	"C15162"	"CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc3c(CN4CCCC4)c(O)ccc13"	0	""	""	1	1	"257434"	"16797572"
"85459"	85459	"wln: t6n dotj a1r bq cq d1- at6n dotj"	"Oc1c(CN2CCOCC2)ccc(CN3CCOCC3)c1O"	0	""	""	1	1	"96672"	"25163626"
"85485"	85485	"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol"	"Oc1ccc(Cc2cc(Cl)cc(Cl)c2O)cc1Cl"	0	""	""	1	1	"257459"	NA
"85508"	85508	"vantoc cl"	"CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	"8753"	"139071"
"85561"	85561	"3-hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitro..."	"[Na+].Oc1cc(c2c(cccc2c1N=Nc3ccc4ccccc4c3O)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	1	1	"552070"	"518887"
"85566"	85566	"sddc"	"[Na+].CN(C)C(=S)S"	0	""	""	2	2	"19877808"	"128041"
"85700"	85700	"quinolinium, 2-[2-(8-hydroxy-5-quinolyl)vinyl]-1,6-methy..."	"Cc1ccc2c(ccc(\C=C\c3ccc(O)c4ncccc34)[n+]2C)c1"	0	NA	NA	4	2	"552094"	"6759893"
"85701"	85701	"quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-..."	"CCOc1ccc2c(ccc(\C=C\c3ccc(O)c4ncccc34)[n+]2C)c1"	0	""	""	1	1	"135429828"	"6759906"
"85743"	85743	"Carboxymethyl ethylxanthate"	"CCOC(=S)SCC(=O)O"	0	""	""	1	1	"33055"	"25554841"
"85759"	85759	""	"CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O"	0	NA	NA	1	1	"552097"	"27652217"
"85775"	85775	"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	"CC(C)C1=CC=CC(=O)C(=C1)O.C=O"	0	""	""	1	1	"257608"	NA
"85776"	85776	"wln: l7vj bovr dnw& ci"	"[O-][N+](=O)c1ccc(cc1)C(=O)OC2=C(I)C=CC=CC2=O"	0	""	""	1	1	"18074"	"2961877"
"85779"	85779	"N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide"	"COc1ccc(cc1)C(=O)NC2=CC=C(O)C(=O)C=C2"	0	""	""	1	1	"257612"	NA
"85791"	85791	"Ethacrynic Acid"	"CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"	0	NA	NA	2	1	"122995"	"58548"
"85998"	85998	"Streptozocin"	"CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO"	0	"A7|AlkAg"	"FDA approved"	54	3	"-1"	"18883664"
"86005"	86005	"Nogalarol"	"COC(=O)C1c2cc3C(=O)c4c5OC6OC(C)(C(O)C(C6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2C(O)CC1(C)O"	0	""	""	2	1	"122727"	NA
"86078"	86078	"cynotoxin"	"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5"	0	""	""	2	2	"6185"	"66284"
"86100"	86100	"NCIMech_000403"	"Cc1c2CCN=Cc2cc3c4ccccc4[nH]c13"	0	""	""	5	2	"257702"	"4238679"
"86140"	86140	"Bis[(3-pyridyl)methyl]amine"	"C(NCc1cccnc1)c2cccnc2"	0	""	""	1	1	"74257"	"1656946"
"86225"	86225	"bisbid"	"CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C"	0	NA	NA	1	1	"123183"	"23288495"
"86354"	86354	"(p-nitrophenyl)phenyliodonium bromide"	"[O-][N+](=O)c1ccc([I+]c2ccccc2)cc1"	0	NA	NA	2	1	"552155"	"4072484"
"86368"	86368	"5-methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide"	"Cc1cc(\C=C/c2ccc3ccccc3[n+]2C)c(O)c4ncccc14"	0	""	""	2	2	"135534469"	"13953247"
"86371"	86371	"quinolinium, 2-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-..."	"Cc1ccc2c(ccc(\C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1"	0	""	""	1	1	"135483953"	"13785201"
"86372"	86372	"quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-methyl-7-quinoly..."	"CCOc1ccc2c(ccc(\C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1"	0	NA	NA	3	2	"552166"	"13953258"
"86373"	86373	"quinolinium, 4-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-..."	"Cc1cc(\C=C\c2cc[n+](C)c3ccccc23)c(O)c4ncccc14"	0	NA	NA	2	2	"552167"	"10277404"
"86374"	86374	"5-[(E)-2-(3-methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide"	"C[n+]1c(\C=C\c2ccc(O)c3ncccc23)[se]c4ccccc14"	0	""	""	2	2	"135488972"	"6759860"
"86467"	86467	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(=O)O)ccc34)[C@@H]1CCC2=O"	0	NA	NA	1	1	"123328"	"1428666"
"86714"	86714	""	"CC(C)(N)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O"	0	NA	NA	1	1	"123557"	"38402492"
"87015"	87015	"1,1'-(benzo[d][1,3]dioxol-5-ylmethylene)dipiperazine"	"C1CN(CCN1)C(N2CCNCC2)c3ccc4OCOc4c3"	0	""	""	1	1	"258237"	NA
"87034"	87034	"(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone"	"COc1cc(C(=O)N2CCN(CC2)c3ccccc3)c4ccccc4n1"	0	""	""	2	2	"258251"	NA
"87084"	87084	"1,3-Benzothiazol-2-yl(3,4,5-trimethoxyphenyl)methanol"	"COc1cc(cc(OC)c1OC)C(O)c2nc3ccccc3s2"	0	""	""	1	1	"258293"	NA
"87086"	87086	"8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one"	"ClCCN(CCCl)c1ccc(cc1)c2nc3NC=NC(=O)c3[nH]2"	0	""	""	1	1	"135454065"	NA
"87112"	87112	""	"CC1CN(CCO)CCN1c2ccccc2"	0	NA	NA	1	1	"552216"	NA
"87119"	87119	""	"Cc1ccc(cc1)N2CCN(CCC(=O)O)CC2"	0	NA	NA	2	2	"552217"	NA
"87197"	87197	""	"COc1cc(\C=C\c2ccnc3ccccc23)cc(OC)c1OC"	0	NA	NA	1	1	"123971"	NA
"87221"	87221	"Actinomycin C3"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	1	"552239"	"2612148"
"87222"	87222	"actinomycin vii"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)CC)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	1	"552240"	NA
"87314"	87314	"Strophanthidol"	"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5"	0	NA	NA	2	2	"124038"	"560543"
"87364"	87364	"3,6-dibromophenanthrene-9,10-dione"	"Brc1ccc2C(=O)C(=O)c3ccc(Br)cc3c2c1"	0	""	""	2	2	"258450"	"53348053"
"87406"	87406	"aristololactam"	"COc1cccc2c1cc3NC(=O)c4cc5OCOc5c2c34"	0	""	""	1	1	"96710"	"13395023"
"87413"	87413	"Vilangin"	"CCCCCCCCCCCC1=C(O)C(=O)C(=C(O)C1=O)CC2=C(O)C(=O)C(=C(O)C2=O)CCCCCCCCCCC"	0	""	""	1	1	"417182"	"4370687"
"87450"	87450	"2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol"	"NC1=NC(=O)C(=C(N)N1)Cn2ccnc2"	0	""	""	1	1	"135403641"	NA
"87500"	87500	"Solacongestidine"	"C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C5=NC[C@H](C)CC5"	0	""	""	2	2	"258526"	"984827"
"87862"	87862	"sulfonaphtholazoresorcinol"	"Oc1ccc(N=Nc2c(O)cc(c3ccccc23)S(=O)(=O)O)c(O)c1"	0	""	""	1	1	"85517"	"16623475"
"87864"	87864	"salicyl n-salicylidenehydrazide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2O"	0	NA	NA	1	1	"124396"	"3232368"
"87868"	87868	"Phenethyl Isothiocyanate"	"S=C=NCCc1ccccc1"	0	""	""	2	2	"16741"	"2257092"
"87877"	87877	"8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline..."	"Oc1c(cc(c2cccnc12)S(=O)(=O)O)N=Nc3ccc4cc(ccc4c3)S(=O)(=O)O"	0	NA	NA	1	1	"124408"	"56990579"
"88054"	88054	"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol"	"COc1ccc2nccc(C=O)c2c1"	0	""	""	2	2	"258759"	NA
"88065"	88065	"2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol"	"CN(CCO)Cc1ncccc1O"	0	""	""	1	1	"258769"	NA
"88104"	88104	"sri 2636"	"ClCCN(N=O)C(=O)N[C@H]1CCCC[C@@H]1Cl"	0	""	""	1	1	"258797"	"13909121"
"88135"	88135	"brahmic acid"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)O"	0	NA	NA	3	1	"395760"	"18449417"
"88381"	88381	"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide"	"Clc1ccc2NP(=S)(Nc2c1)c3ccccc3"	0	""	""	1	1	"258918"	"4600173"
"88421"	88421	"crinamin"	"CO[C@@H]1C[C@H]2N3CC(O)[C@]2(C=C1)c4cc5OCOc5cc4C3"	0	NA	NA	1	1	"396010"	"639418"
"88468"	88468	"etamycin"	"CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C3CC(O)CN3C1=O)c4ccccc4"	0	""	""	4	1	"417256"	NA
"88499"	88499	"pmsf"	"FS(=O)(=O)Cc1ccccc1"	0	""	""	1	1	"4784"	"329986"
"88536"	88536	"Calusterone"	"C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13"	0	"Ho"	"FDA approved"	2	1	"28204"	"17021260"
"88871"	88871	"JS-053C"	"Ic1ccc(cc1)N2C(=O)C=CC2=O"	0	""	""	2	2	"96758"	"65833014"
"88903"	88903	"6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	"CC1(C)N=C(N)N=C(N)N1CCCCc2ccccc2"	0	""	""	2	2	"5351906"	"2113066"
"88915"	88915	"170D343"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c5ccc(Br)cc5"	0	""	""	2	2	"259210"	"21170343"
"88916"	88916	"10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,..."	"Cc1nc(cs1)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C"	0	""	""	2	2	"259211"	NA
"88927"	88927	"ardisin"	"CCCCCCCCCCCCCC1=C(O)C(=O)C(=C(O)C1=O)CC2=C(O)C(=O)C(=C(O)C2=O)CCCCCCCCCCCCC"	0	""	""	1	1	"417291"	"13917356"
"88941"	88941	"8-quinolinol, vanadium(v) complex"	"O[V]12(=O)(OC3CCCC4CCCN1C34)OC5CCCC6CCCN2C56"	0	""	""	1	1	"54606261"	"19631948"
"88971"	88971	"N-(1,3-dichloro-7-nitro-9H-fluoren-2-yl)formamide"	"[O-][N+](=O)c1ccc2c(Cc3c(Cl)c(NC=O)c(Cl)cc23)c1"	0	""	""	2	2	"259241"	NA
"89074"	89074	"thiosulfuric acid (h2s2o3), -[2-[(5-cyclohexylpentyl)ami..."	"OS(=O)(=O)SCCNCCCCCC1CCCCC1"	0	""	""	2	1	"96765"	"21209030"
"89133"	89133	""	"[R]N.[R]Cl.[R]OC.c1ccc2c(c1)ccc3ccccc23"	0	NA	NA	1	1	"552455"	NA
"89167"	89167	"C17H18ClNO3S"	"Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl"	0	""	""	1	1	"9824"	"329306"
"89171"	89171	"Tetrazolium Violet"	"c1ccc(cc1)c2n[n+](c3cccc4ccccc34)n(n2)c5ccccc5"	0	""	""	1	1	"74395"	"1719717"
"89172"	89172	"2h-tetrazolium, 3-(2-biphenylyl)-2,5-diphenyl- chloride"	"c1ccc(cc1)c2ccccc2[n+]3nc(nn3c4ccccc4)c5ccccc5"	0	""	""	2	2	"24189419"	NA
"89201"	89201	"Estramustine"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O"	0	"A7|TUBB|AlkAg"	"FDA approved"	5	2	"-1"	"2998574"
"89239"	89239	"monopar"	"CC[n+]1c(\C=C\c2ccc(cc2)N3CCCC3)cccc1\C=C\c4ccc(cc4)N5CCCC5"	0	""	""	2	2	"6433387"	"3784994"
"89400"	89400	"8-Anilinoquinoline-5,6-dione"	"O=C1C=C(Nc2ccccc2)c3ncccc3C1=O"	0	NA	NA	2	1	"396677"	NA
"89488"	89488	"N-methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline"	"CNc1ccc(CSc2ccc(C)cc2)cc1"	0	""	""	1	1	"259517"	"92547698"
"89500"	89500	"N,4-bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline"	"CN(CSc1ccc(Cl)cc1)c2ccc(CSc3ccc(Cl)cc3)cc2"	0	""	""	1	1	"259528"	NA
"89602"	89602	"1-piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- metho..."	"COc1ccc(OCC(O)CN2CCN(CC2)c3ccc(Cl)cc3)cc1"	0	""	""	1	1	"259580"	"450497"
"89671"	89671	"lunatin"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	""	""	7	4	"5351204"	"60132232"
"89736"	89736	"s-triazine, 2-amino-4-anilino-6-(chloromethyl)-"	"Nc1nc(CCl)nc(Nc2ccccc2)n1"	0	""	""	1	1	"34942"	"30355603"
"89822"	89822	"5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one"	"NC1=NC(=O)c2nnn(C3CC(O)C(CO)O3)c2N1"	0	""	""	2	2	"135454027"	"4546730"
"90137"	90137	"sulfide, 2,4-dinitrophenyl 2-nitro-p-tolyl"	"Cc1ccc(Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	1	1	"259746"	NA
"90311"	90311	"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole"	"Clc1ccc(cc1Cl)c2oc(nn2)c3cccc4ccccc34"	0	""	""	1	1	"259766"	NA
"90318"	90318	"2-bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one"	"Brc1ccc2C(C3c4ccccc4C(=O)c5cc(Br)ccc35)c6ccccc6C(=O)c2c1"	0	""	""	1	1	"417379"	NA
"90394"	90394	"8-aminoadenosine"	"Nc1ncnc2c1nc(N)n2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	"397227"	"3868335"
"90411"	90411	"2'-ethyl-3-nitrosalicylanilide"	"CCc1ccccc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	1	1	"259820"	"73454918"
"90558"	90558	"Menisperine iodide"	"COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4c2c1O"	0	""	""	1	1	"24189461"	"17669180"
"90600"	90600	"iodonium, (p-nitrophenyl)phenyl- nitrate"	"O[N+](=O)O.[O-][N+](=O)c1ccc([I+]c2ccccc2)cc1"	0	""	""	1	1	"6332375"	"4072473"
"90615"	90615	""	"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O"	0	NA	NA	1	1	"552628"	"14635531"
"90616"	90616	"Betamethasone Sodium Phosphate"	"C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O"	0	NA	NA	2	2	"552629"	"151735"
"90636"	90636	"Vinblastine"	"CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C[C@@H](C3)[C@H]1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)[C@H]8[C@](O)([C@H](OC(=O)C)[C@]9(CC)C=CCN%10CC[C@]78[C@H]9%10)C(=O)OC"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	"-1"	NA
"90736"	90736	"STK325057"	"O=C1NC(=S)NC(=O)C1=Cc2c[nH]c3ccccc23"	0	""	""	1	1	"135443018"	"53215615"
"90810"	90810	"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole"	"Cc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3"	0	""	""	2	2	"260000"	"52596891"
"90829"	90829	""	"CC(C)(C)C1CCC2(CC1)CCN(CCCN3CCOCC3)CC2"	0	NA	NA	2	1	"552649"	NA
"90862"	90862	"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole"	"Brc1ccccc1c2oc(cn2)c3ccccc3"	0	""	""	1	1	"260020"	"37611271"
"90903"	90903	"N-[(Z)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide"	"Cc1cc(ccc1\C=N\NC(=O)c2cccnc2)N(CCCl)CCCl"	0	""	""	1	1	"5984534"	"16183714"
"90904"	90904	"nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]..."	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2cccnc2)cc1"	0	""	""	1	1	"5867877"	"16230801"
"91397"	91397	"1-piperazineethanol, 4-(p-chlorophenyl)-.alpha.-[1-napht..."	"OC(COc1cccc2ccccc12)CN3CCN(CC3)c4ccc(Cl)cc4"	0	NA	NA	1	1	"397843"	NA
"91513"	91513	"pyridine-2-aldehyde 2-pyridylhydrazone"	"N(\N=C\c1ccccn1)c2ccccn2"	0	NA	NA	2	1	"397954"	"2215330"
"91745"	91745	"9h-purine, 6-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-9..."	"Cn1cnc(c1Sc2ncnc3c2ncn3C4OC(CO)C(O)C4O)[N+](=O)[O-]"	0	""	""	1	1	"54606076"	NA
"92188"	92188	"isoquinaldaldehyde, thiosemicarbazone"	"NC(=S)N\N=C\c1nccc2ccccc12"	0	NA	NA	1	1	"398306"	"2365266"
"92207"	92207	"5-fluoranyl-7-nitro-quinolin-8-ol"	"Oc1c(cc(F)c2cccnc12)[N+](=O)[O-]"	0	""	""	1	1	"260644"	"18472021"
"92339"	92339	"Fluphenazine"	"CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO"	0	"NonCan:Psy"	"FDA approved"	3	2	"6215"	"67732"
"92412"	92412	""	"OC(C1=C\C(=C/c2ccncc2)\c3ccccc13)c4ccncc4"	0	NA	NA	2	1	"398450"	NA
"92423"	92423	"uridine, 2'-deoxy-5-(trifluoromethyl)-, 3',5'-bis(p-nitr..."	"[O-][N+](=O)c1ccc(cc1)C(=O)OCC2OC(CC2OC(=O)c3ccc(cc3)[N+](=O)[O-])N4C=C(C(=O)NC4=O)C(F)(F)F"	0	""	""	1	1	"260750"	"7057445"
"92494"	92494	"pyrimidine, 5-allyl-2,4,6-trichloro-"	"Clc1nc(Cl)c(CC=C)c(Cl)n1"	0	""	""	2	2	"260780"	"10182680"
"92495"	92495	"5-Butan-2-yl-2,4,6-trichloropyrimidine"	"CCC(C)c1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	"260781"	"14273780"
"92497"	92497	"Pyrimidine, 2,4,6-trichloro-5-pentyl-"	"CCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"260783"	"14077679"
"92498"	92498	"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine"	"CC(C)CCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	"260784"	"14077691"
"92499"	92499	"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine"	"CCCC(C)c1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	"260785"	"14095659"
"92504"	92504	"5-Benzyl-2,4,6-trichloropyrimidine"	"Clc1nc(Cl)c(Cc2ccccc2)c(Cl)n1"	0	""	""	1	1	"260789"	"14273791"
"92506"	92506	"pyrimidine, 2,4,6-trichloro-5-heptyl-"	"CCCCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"260791"	"14077715"
"92510"	92510	"NCIMech_000294"	"CCCCCCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	"260795"	"14077737"
"92530"	92530	"OR8600T"	"COc1cc2cc([nH]c2cc1OCc3ccccc3)C(=O)O"	0	""	""	1	1	"260801"	"2495923"
"92585"	92585	"benzoic acid, p-[(purin-6-ylthio)mercuri]-"	"OC(=O)c1ccc([Hg]Sc2ncnc3nc[nH]c23)cc1"	0	""	""	2	2	"3246339"	NA
"92618"	92618	"dichlorodipropyltin"	"CCC[Sn](Cl)(Cl)CCC"	0	""	""	1	1	"93562"	"867367"
"92713"	92713	"arabinopyranoside, methyl, 2,3-dibenzoate 4-p-toluenesul..."	"COC1OCC(OS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c3ccccc3)C1OC(=O)c4ccccc4"	0	""	""	1	1	"260901"	"13143925"
"92835"	92835	"N-[bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide"	"CC(=O)NC(c1nc2cc(C)c(C)cc2[nH]1)c3nc4cc(C)c(C)cc4[nH]3"	0	""	""	1	1	"260983"	NA
"92859"	92859	"Arsenic trioxide"	"O1[As]2O[As]3O[As](O[As]1O3)O2"	0	"Apo"	"FDA approved"	5	2	"261004"	"1327533"
"92909"	92909	"Antineoplastic-92909"	"NC(=O)CNc1ccc(cc1)\[As]=[As]\c2ccc(NCC(=O)N)cc2"	0	""	""	1	1	"261046"	NA
"92915"	92915	"Antineoplastic-92915"	"O=C(Nc1ccc(cc1)\[As]=[As]\c2ccc(NC(=O)c3ccccc3)cc2)c4ccccc4"	0	""	""	2	2	"261051"	NA
"92937"	92937	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-"	"Cn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	4	4	"261066"	"68452380"
"92941"	92941	"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione"	"Cn1c2ccccc2c3ccc4C(=O)c5ccccc5C(=O)c4c13"	0	""	""	1	1	"261069"	"21355362"
"92954"	92954	"acetyltrophanthidin"	"CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5"	0	NA	NA	2	2	"398853"	"60388"
"92988"	92988	"5JVO6RU58B"	"C(SSCc1ccncc1)c2ccncc2"	0	""	""	2	2	"199500"	"1020719"
"93033"	93033	"salicylic acid, 4-[2-(3,4-dihydro-2,4-dioxo-1(2h)-pyrimi..."	"OC(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1O"	0	""	""	1	1	"261126"	"4116421"
"93077"	93077	"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline"	"Cc1c(c(C)c(c(Nc2c(c(C)c(c(C)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"261155"	"5369244"
"93131"	93131	"helenin"	"C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12"	0	""	""	1	1	"72724"	"546430"
"93132"	93132	"Agroclavin"	"CN1CC(=CC2C1Cc3c[nH]c4cccc2c34)C"	0	NA	NA	2	1	"552852"	"548425"
"93134"	93134	"hellebrin"	"CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=COC(=O)C=C6)C(O)C(O)C1OC7OC(CO)C(O)C(O)C7O"	0	""	""	14	6	"417553"	"13289184"
"93135"	93135	"Oxycanthine"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	NA	NA	1	1	"552854"	"548403"
"93287"	93287	"(E)-3-(2-chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one"	"[O-][N+](=O)c1ccc(Cl)c(\C=C\C(=O)c2ccccc2)c1"	0	""	""	1	1	"5349234"	"29368410"
"93301"	93301	"1,3-Benzodioxol-5-yl[4-(3-methylphenyl)piperazin-1-yl]methanethione"	"Cc1cccc(c1)N2CCN(CC2)C(=S)c3ccc4OCOc4c3"	0	""	""	1	1	"261316"	NA
"93354"	93354	"androst-4-en-3-one, 11.beta.-hydroxy-17.beta.-(2-phenyl-..."	"C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2c5csc(n5)c6ccccc6"	0	""	""	2	2	"261360"	NA
"93355"	93355	"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid"	"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2c5csc(N)n5.OS(=O)(=O)c6ccc(Br)cc6"	0	""	""	1	1	"261361"	NA
"93419"	93419	"steffimycin"	"COC1C(O)C(O)C(C)OC1OC2C(OC)C(C)(O)C(=O)c3cc4C(=O)c5cc(OC)cc(O)c5C(=O)c4c(O)c23"	0	NA	NA	5	1	"399232"	"11033344"
"93427"	93427	"pyrrolo[2,1-a]isoquinoline-2-carboxamide, 3-phenyl-"	"NC(=O)c1cc2c3ccccc3ccn2c1c4ccccc4"	0	NA	NA	2	2	"399237"	NA
"93489"	93489	"3-isothiazolone"	"O=C1NSC=C1"	0	""	""	5	3	"96917"	"1003072"
"93674"	93674	"Aromoline"	"COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4"	0	NA	NA	3	2	"552892"	"519539"
"93734"	93734	"LS-103271"	"CC(N)Cc1ccc(Cl)c(Cl)c1"	0	""	""	2	1	"201553"	"156127"
"93737"	93737	"auramin"	"CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	NA	NA	1	1	"552927"	"2465272"
"93739"	93739	"Basic Fuchsin"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	""	""	3	3	"12447"	"632995"
"93819"	93819	"ergenyl"	"CCCC(CCC)C(=O)O"	0	"PK:GSK3A,GSK3B"	"FDA approved"	2	1	"3121"	"99661"
"93866"	93866	"naphtho[2,1-b]quinolizinium, 5-chloro-7-methyl- perchlorate"	"Cc1c2cc(Cl)c3ccccc3c2c[n+]4ccccc14"	0	""	""	2	2	"21144372"	NA
"93868"	93868	"naphtho[1,2-b]quinolizinium, 3,13-dimethyl- perchlorate"	"Cc1ccc2c(ccc3c[n+]4ccccc4c(C)c23)c1"	0	""	""	1	1	"21144373"	NA
"93958"	93958	"meterocycle"	"O=C1NC(=O)C(=C\C=C\c2ccccc2)C(=O)N1"	0	""	""	1	1	"727420"	"23450499"
"93967"	93967	"ChemDiv3_000196"	"OC(=O)C(Cc1c[nH]cn1)N2C(=O)c3ccccc3C2=O"	0	""	""	1	1	"261550"	"5959795"
"94037"	94037	"mikanin"	"CC12CC3OC(=O)C(=C)C3C4OC(=O)C(=C4)C5OC5C1O2"	0	""	""	2	2	"5140086"	"17928619"
"94600"	94600	"Camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	7	7	"24360"	"7689034"
"94703"	94703	"N-Methyl-4-[(E)-quinolin-5-yldiazenyl]aniline"	"CNc1ccc(cc1)N=Nc2cccc3ncccc23"	0	""	""	2	2	"261763"	NA
"94739"	94739	"Demethyltylophorinine"	"COc1cc2c3CN4CCC[C@H]4[C@H](O)c3c5ccc(O)cc5c2cc1OC"	0	""	""	2	1	"261792"	NA
"94743"	94743	"Cucurbitacin A"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C"	0	""	""	9	5	"5281315"	"6040193"
"94783"	94783	"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol"	"COc1cc(ccc1O)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)c3ccc(O)c(OC)c3"	0	""	""	1	1	"261816"	NA
"94810"	94810	"N-(4-amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide"	"Nc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c(Cl)c1"	0	""	""	1	1	"261838"	NA
"94820"	94820	"2,2'-(4,4'-methylenebis(4,1-phenylene))diisoindoline-1,3..."	"O=C1N(C(=O)c2ccccc12)c3ccc(Cc4ccc(cc4)N5C(=O)c6ccccc6C5=O)cc3"	0	""	""	2	2	"261847"	"39673988"
"94889"	94889	"gardenin"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	2	2	"261859"	"21187735"
"94945"	94945	"Questiomycin A"	"NC1=CC2=Nc3ccccc3OC2=CC1=O"	0	""	""	2	2	"72725"	"1916592"
"95099"	95099	"gitoxim"	"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(C(O)CC67O)C8=CC(=O)OC8)C4)OC3C)OC2C"	0	NA	NA	2	2	"400035"	"4562361"
"95170"	95170	"A15655"	"NC(=O)c1ccc(cc1)c2c3ccccc3cc4c2ccc5ccccc45"	0	""	""	1	1	"262000"	"56164808"
"95381"	95381	"DNZGBFXOVKCJMO-UHFFFAOYSA-N"	"CC1Oc2cc(OC(=O)C)ccc2C=C1c3ccc(OC(=O)C)cc3"	0	""	""	1	1	"262088"	"10499088"
"95382"	95382	"Camptothecin Derivative"	"CCC1(OC(=O)C)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	"7688644"
"95397"	95397	"1,4-naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-"	"OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O"	0	""	""	2	2	"262093"	"93718833"
"95434"	95434	"ALBB-001166"	"O=Cc1cn(Cc2ccccc2)c3ccccc13"	0	""	""	2	2	"262104"	"10511510"
"95441"	95441	"Methyl CCNU"	"C[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	"A7"	""	11	2	"-1"	"13909096"
"95448"	95448	"1h-1,2,4-triazole, 3-(4-diazo-4h-imidazol-5-yl)-"	"[N-]=[N+]=C1N=CN=C1c2nc[nH]n2"	0	""	""	1	1	"500000"	NA
"95466"	95466	"PCNU"	"ClCCN(N=O)C(=O)NC1CCC(=O)NC1=O"	0	"A7"	""	11	9	"26328"	"13909029"
"95570"	95570	""	"O=C(CCN1CC2CCC(CC2)C1)c3cccs3"	0	NA	NA	2	2	"553218"	"16228674"
"95580"	95580	"hmba"	"CC(=O)NCCCCCCNC(=O)C"	0	""	""	10	1	"3616"	"3073594"
"95609"	95609	"tetraoxo[?]tetrone"	"O=C1CNCCCN2CCN(CCCNCC(=O)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CNCCCN5CCN(CCCNCC(=O)Nc6ccc(cc6)S(=O)(=O)c7ccc(N1)cc7)CC5)cc4)CC2"	0	""	""	2	2	"262184"	NA
"95676"	95676	"3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide"	"CC1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1"	0	""	""	1	1	"5351927"	NA
"95678"	95678	"3-HP"	"NC(=S)N\N=C\c1ncccc1O"	0	"Ds"	""	13	5	"-1"	"3814797"
"95779"	95779	"2-(Tosyloxy)biphenyl"	"Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3ccccc3"	0	""	""	2	2	"262324"	NA
"96019"	96019	"Solanine"	"CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)N2C1"	0	""	""	5	1	"262500"	NA
"96349"	96349	"Coralyne chloride"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC"	0	NA	NA	1	1	"553258"	"38989387"
"96517"	96517	"3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide"	"C[N+]1(C=C(SC1=S)c2ccccc2)c3ccccc3"	0	""	""	1	1	"24189815"	NA
"96541"	96541	"1-benzoyl-1,2-dihydrobenzo[f]quinaldonitrile"	"O=C(N1C(C=Cc2c1ccc3ccccc23)C#N)c4ccccc4"	0	""	""	2	2	"262649"	"26455958"
"96641"	96641	"wln: t b666 dn fnj c1 emym&z &gh"	"Cc1nc(NC(=N)N)nc2ccc3ccccc3c12"	0	""	""	1	1	"200222"	"1150410"
"96694"	96694	""	"NCCSC(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	"553319"	"15515589"
"96704"	96704	"S-Tritylcysteamine"	"NCCSC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"262764"	"1095858"
"96914"	96914	"perfluorobenzophenone"	"Fc1c(F)c(F)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"	0	""	""	2	2	"70068"	"853394"
"96932"	96932	"3,3'-Diethyl-9-methylthiacarbocyanine iodide"	"CCN1\C(=C\C(=C\c2sc3ccccc3[n+]2CC)\C)\Sc4ccccc14"	0	NA	NA	1	1	"553332"	"3065790"
"96996"	96996	"piriqualone"	"Cc1ccccc1N2C(=Nc3ccccc3C2=O)\C=C\c4ccccn4"	0	NA	NA	1	1	"401311"	"1897898"
"97338"	97338	"isotetrandrine"	"COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34"	0	NA	NA	1	1	"401567"	"477576"
"97345"	97345	"2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation"	"OC(=O)C[N+]12CC[N+]3(CC(=O)O)CC(=O)O[Hg]13OC(=O)C2"	0	""	""	2	2	"16683706"	NA
"97371"	97371	"tri-p-tolylphosphine"	"Cc1ccc(cc1)P(c2ccc(C)cc2)c3ccc(C)cc3"	0	""	""	1	1	"13956"	"1038955"
"97372"	97372	"(ethylmethyl)octadecylsulfonium iodide"	"CCCCCCCCCCCCCCCCCC[S+](C)CC"	0	""	""	1	1	"207332"	"29676504"
"97374"	97374	"diethylcyanine"	"CCN1\C(=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	""	""	2	2	"5717105"	"2402428"
"97388"	97388	"silver benzoate"	"[Ag+].OC(=O)c1ccccc1"	0	""	""	2	2	"6712949"	"532310"
"97419"	97419	"progallin o"	"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1"	0	""	""	2	2	"61253"	"1034011"
"97845"	97845	"(16E)-16-hydroxyimino-13-methyl-3-(2-methylprop-2-enoxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"CC(=C)COc1ccc2C3CCC4(C)C(C\C(=N/O)\C4=O)C3CCc2c1"	0	""	""	2	1	"6414726"	NA
"97882"	97882	""	"COc1ccc(C[N+](C)(C)N)cc1OC"	0	NA	NA	2	1	"553487"	NA
"97885"	97885	""	"C\C(=N/[N+](C)(C)C)\c1ccc(C)c(C)c1"	0	NA	NA	2	1	"553488"	NA
"97960"	97960	"2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one"	"CC1=CC(=O)N\C(=N\N=C\c2cc(Br)ccc2O)\N1"	0	""	""	1	1	"135458781"	NA
"97967"	97967	"benzaldehyde, 2-hydroxy-, (1,4-dihydro-6-methyl-4-oxo-2-..."	"CC1=CC(=O)N\C(=N\N=C\c2ccccc2O)\N1"	0	NA	NA	1	1	"402098"	"66680033"
"98363"	98363	"Ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate"	"CCOC(=O)\C(=C\1/SS\C(=C(\C#N)/C(=O)OCC)\S1)\C#N"	0	""	""	1	1	"3003822"	"2631938"
"98481"	98481	"4LTV4EUB33"	"N#CC1(C#N)C2(CCCCCC2)C1(C#N)C#N"	0	""	""	2	2	"263806"	"93086954"
"98535"	98535	"Aminoanfol"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)cnc2n1"	0	NA	NA	2	2	"553538"	"25312316"
"98572"	98572	".beta.-resorcylaldehyde, 2-pyridylhydrazone"	"Oc1ccc(\C=N\N=C/2\NC=CC=C2)c(O)c1"	0	""	""	1	1	"135509512"	"50286856"
"98573"	98573	"2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone"	"Oc1ccc2ccccc2c1\C=N\N=C\3/NC=CC=C3"	0	""	""	2	2	"135400277"	"10335601"
"98579"	98579	"bromochloromethotrexate"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Br)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	"553546"	"6914121"
"98580"	98580	"monobromomethotrexate"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3Br)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	"553547"	"13082832"
"98710"	98710	"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine"	"Nc1nc(N)c(N=Nc2ccccc2)c(n1)c3ccccc3"	0	""	""	1	1	"263983"	"13491719"
"98828"	98828	"1-((2-Pyridinylmethyl)thio)acetone"	"CC(=O)CSCc1ccccn1"	0	""	""	1	1	"264035"	NA
"98883"	98883	"thiazolo[3,2-f]phenanthridinium, 2-methyl- perchlorate"	"Cc1c[n+]2c3ccccc3c4ccccc4c2s1"	0	""	""	2	2	"21144387"	NA
"98892"	98892	"STK973247"	"Cc1cc(SCC(=O)c2ccccc2)nc3ccccc13"	0	""	""	1	1	"264064"	"13896861"
"98904"	98904	"thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate"	"c1ccc(cc1)c2csc3c4ccccc4c5ccccc5[n+]23"	0	""	""	2	2	"5351215"	"13896996"
"98905"	98905	"2-(phenanthridin-6-ylthio)-1-phenylethanone"	"O=C(CSc1nc2ccccc2c3ccccc13)c4ccccc4"	0	""	""	1	1	"264067"	"13896974"
"98923"	98923	"N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide"	"O=C(NNC(=S)Nc1ccccc1)c2ccccn2"	0	""	""	1	1	"5380527"	"60838166"
"98938"	98938	"(1E,4E)-1-(2-hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one"	"COc1ccccc1\C=C\C(=O)\C=C\c2ccccc2O"	0	""	""	2	2	"6284052"	NA
"98949"	98949	"9-Methylellipticine"	"Cc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"	0	""	""	6	2	"97082"	"18073319"
"99016"	99016	"calycanthine"	"CN1CCC23C4Nc5ccccc5C2(CCN4C)C1Nc6ccccc36"	0	NA	NA	4	1	"402825"	"595051"
"99027"	99027	"NCIMech_000601"	"BrCc1ccc2C=CC(=O)Oc2c1"	0	""	""	1	1	"264119"	"53878129"
"99060"	99060	"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	"BrP(NC1CCCCCC1)(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"264143"	"30866865"
"99087"	99087	"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate"	"CCOC(=O)C(CO)C1=NC2=C(NC1=O)C(=O)N(C)C(=O)N2C"	0	""	""	1	1	"264162"	NA
"99148"	99148	"E0P23WVX51"	"O=[Sn](C1CCCCC1)C2CCCCC2"	0	""	""	2	2	"31510"	"22771171"
"99282"	99282	"rubradirin"	"COC1C(C)OC(CC1(C)[N+](=O)[O-])Oc2cc(nc(C(=O)OC3C(C)\C=C(/C)\C(=O)c4c(O)c(C)cc5C(=O)C6=C(OC(C)(CN6)C(=O)C3O)C(=O)c45)c2O)C(=O)NC7=C(O)c8ccc(OC)cc8OC7=O"	0	""	""	1	1	"54711001"	"11031382"
"99296"	99296	"tetramethylammonium bis[decahydro-c- phenyldicarbaundeca..."	"[Fe+2].[R]c1ccccc1.[R]c2ccccc2.C[N+](C)(C)C.[RH].[RH]"	0	NA	NA	1	1	"553688"	NA
"99300"	99300	"2-Butylhydroquinone"	"CCCCc1cc(O)ccc1O"	0	NA	NA	1	1	"403029"	"4197697"
"99303"	99303	"DA-28952"	"Oc1ccc(O)c(Cc2ccccc2)c1"	0	""	""	1	1	"74354"	"1706736"
"99310"	99310	"Octylhydroquinone"	"CCCCCCCCc1cc(O)ccc1O"	0	NA	NA	1	1	"403035"	"1706690"
"99445"	99445	"Cytosine arabinoside monophosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)O)C(O)C2O"	0	NA	NA	2	2	"403149"	"7075118"
"99515"	99515	""	"N=C(c1ccc2ccccc2c1)c3ccccc3Cc4ccccc4"	0	NA	NA	1	1	"553722"	NA
"99543"	99543	"(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride"	"Cc1cc(C)cc(c1)C(=N)c2ccccc2Cc3cccc4ccccc34"	0	""	""	1	1	"5351940"	NA
"99671"	99671	"2-[2-[(1,3-Dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione"	"CN1C(=O)N(C)c2nc(SCCN3C(=O)c4ccccc4C3=O)[nH]c2C1=S"	0	""	""	1	1	"3246362"	"6493001"
"99676"	99676	"1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one"	"CN1C(=O)N(C)c2nc(SCCCc3ccccc3)[nH]c2C1=S"	0	""	""	1	1	"3246363"	"6493023"
"99733"	99733	"Reumycin"	"CN1C(=O)N=C2NN=CN=C2C1=O"	0	""	""	4	2	"5351216"	"5016182"
"99843"	99843	"vengicide"	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N"	0	NA	NA	2	2	"403474"	"606586"
"100045"	100045	"saponin p"	"[R]OC1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)[C@@H](OC(=O)\C=C/C=C\C(C)CC)[C@H](OC(=O)C)[C@@]5(CC[C@@]34C)C(=O)O)C1(C)C"	0	NA	NA	4	2	"663922"	NA
"100046"	100046	"Elephantopin"	"CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]4OC(=O)C(=C)[C@H]14)OC2=O"	0	NA	NA	4	3	"403575"	"13017113"
"100058"	100058	"jilkon"	"COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24"	0	NA	NA	4	1	"403585"	"357700"
"100071"	100071	"Haloprogin"	"Clc1cc(Cl)c(OCC#CI)cc1Cl"	0	""	"FDA approved"	1	1	"3561"	"777117"
"100279"	100279	"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine"	"CN(C)c1ncnc2c1ccn2C3OC(CO)C(O)C3O"	0	""	""	2	2	"264884"	"20371000"
"100290"	100290	"aklavin"	"CC[C@]1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3[C@@H]1C(=O)OC"	0	NA	NA	2	2	"403734"	NA
"100434"	100434	"3-pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(n-phe..."	"C\C(=N/c1ccccc1)\C2=C(O)C(Cc3ccc(O)cc3)NC2=O"	0	""	""	2	2	"135500557"	NA
"100445"	100445	"tn 16"	"C\C(=N/c1ccccc1)\C2=C(O)C(Cc3ccccc3)NC2=O"	0	NA	NA	2	2	"403785"	NA
"100723"	100723	"(o-chlorophenyl)hydrazizne hydrochloride"	"NNc1ccccc1Cl"	0	""	""	1	1	"443287"	"41052759"
"100737"	100737	""	"Clc1ccc(cc1)C(=O)CSC#N"	0	NA	NA	2	2	"403870"	"19339594"
"100770"	100770	"benzenamine, n,n-bis(2-chloroethyl)-3-methyl-4-[[[4-[2-(..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(Cc4ccccc4)n3)N(CCCl)CCCl"	0	""	""	2	2	"24190089"	"19749634"
"100777"	100777	"4-penten-1-ol, 4-nitro-5-(9-phenanthryl)-, acetate"	"CC(=O)OCCC\C(=C\c1cc2ccccc2c3ccccc13)\[N+](=O)[O-]"	0	""	""	2	1	"5380575"	"19889624"
"100844"	100844	"saramycetin"	NA	0	NA	NA	1	1	"403963"	NA
"100856"	100856	""	"NC1=NC(=O)C(=C(N1)c2ccccc2)CCCOc3ccc(N)cc3"	0	NA	NA	1	1	"553897"	"14937587"
"100880"	100880	"Camptothecin"	"CC[C@](O)(C(=O)O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1"	0	"TOP1"	"FDA approved"	8	5	"-1"	"25387671"
"101003"	101003	"2-hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one"	"NNC1=CC=CC(=CC1=O)\C=C\c2ccccc2"	0	""	""	1	1	"6267649"	"78463419"
"101088"	101088	"Withaferin A"	"C[C@H]([C@H]1CC(=C(CO)C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	NA	NA	3	2	"404166"	"5119482"
"101319"	101319	"[(E)-[(1E)-1-(carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea"	"COCCOC(C)\C(=N\NC(=S)N)\C=N\NC(=S)N"	0	""	""	2	2	"9614290"	"2447054"
"101489"	101489	"nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybe..."	"COc1cc(ccc1\C=N\NC(=O)c2cccnc2)N(CCCl)CCCl"	0	""	""	1	1	"5977454"	"16230812"
"101490"	101490	"N-[(Z)-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide"	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2cccnc2)c(Cl)c1"	0	""	""	3	3	"6252761"	"16183725"
"101492"	101492	"anthranilic acid, n-[p-[bis(2-chloroethyl)amino]benzylid..."	"OC(=O)c1ccccc1\N=C\c2ccc(cc2)N(CCCl)CCCl"	0	""	""	2	1	"265452"	"18471766"
"101643"	101643	"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione"	"CC(C)(Cl)CCC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"265521"	NA
"102004"	102004	"Catharanthine hcl"	"CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC"	0	""	""	4	1	"418553"	NA
"102049"	102049	"3-Hydroxy-3',4',5,7-tetramethoxyflavone"	"COc1cc(OC)c2C(=O)C(=C(Oc2c1)c3ccc(OC)c(OC)c3)O"	0	""	""	2	1	"97142"	"1244786"
"102051"	102051	"9B35R9JIHA"	"COc1ccc(cc1OC)C2=C(O)C(=O)c3ccccc3O2"	0	""	""	1	1	"97143"	"6889801"
"102057"	102057	"F9J53MVN3M"	"COc1ccc2C(=O)C(=C(Oc2c1)c3ccc(OC)c(OC)c3)O"	0	""	""	1	1	"265724"	"58544904"
"102064"	102064	"UPC5E8CVE7"	"O=C1OC2=C(C(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"265728"	"5651605"
"102067"	102067	"6h-indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl-"	"CN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"265730"	"5291189"
"102068"	102068	"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione"	"Nc1ccccc1N2C(=O)c3ccccc3C4=C2c5ccccc5C4=O"	0	""	""	1	1	"265731"	"15315181"
"102225"	102225	"(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile"	"O\N=C/1\C=C\C(=C(\C#N)/c2ccc(Cl)cc2)\C=C1Cl"	0	""	""	1	1	"5715133"	"842137"
"102378"	102378	"[(E)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]thiourea"	"NC(=S)N\N=C\1/c2ccccc2c3c(F)c(F)c(F)c(F)c13"	0	""	""	2	2	"5380664"	NA
"102622"	102622	"solanocapsin"	"C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1"	0	""	""	1	1	"73419"	"639861"
"102627"	102627	"Yoshi 864"	"CS(=O)(=O)OCCCNCCCOS(=O)(=O)C"	0	"A7"	""	11	7	"-1"	"3458228"
"102742"	102742	"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione"	"ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c4ccccc4C1=O"	0	""	""	1	1	"265940"	"22295472"
"102809"	102809	"matamycin"	"COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)c3csc(\C=N\O)n3"	0	NA	NA	1	1	"554091"	"12656405"
"102810"	102810	"u-22265"	"O=CC(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(=O)c6ccccc6"	0	""	""	1	1	"265952"	"13090772"
"102811"	102811	"formycin a"	"Nc1ncnc2c(n[nH]c12)C3OC(CO)C(O)C3O"	0	NA	NA	5	4	"405110"	"6742127"
"102813"	102813	".beta.-rhodomycin"	"CCC1CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1O.CC5OC(O)CCC5O.CC6OC(O)CC(C6O)N(C)C"	0	""	""	2	1	"418587"	NA
"102814"	102814	"u 20043"	"OC(COC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)CC4SCCS4"	0	""	""	1	1	"265955"	NA
"102815"	102815	"daunomycin compound d"	"CO[C@H]1C[C@@](C)(O)[C@H](C(=O)OC)c2cc3C(=O)c4c5O[C@H]6O[C@@](C)([C@H](O)[C@H]([C@@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12"	0	NA	NA	3	2	"405113"	NA
"102816"	102816	"Azacitidine"	"NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O"	0	"DNMT"	"FDA approved"	19	9	"-1"	"320672"
"102817"	102817	"elephantin"	"CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@H]14)OC2=O)C"	0	NA	NA	4	2	"405115"	"21899503"
"102866"	102866	"Aspergillin"	"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3"	0	NA	NA	2	2	"405162"	"67992"
"103073"	103073	"o-tolualdehyde, 4-[bis(2-chloroethyl)amino]-5-ethoxy-, (..."	"CCOc1cc(\C=N\N=C/2\NN=C(C)N2N)c(C)cc1N(CCCl)CCCl"	0	""	""	2	2	"54601300"	NA
"103231"	103231	"DXNLDBASBALMSX-UHFFFAOYSA-N"	"[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Oc2ccccc2"	0	""	""	1	1	"266121"	"43001576"
"103508"	103508	"1,3-propanediamine, n,n'-bis[p-[bis(2-chloroethyl)amino]..."	"ClCCN(CCCl)c1ccc(CNCCCNCc2ccc(cc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	"24190229"	NA
"103517"	103517	"(8E)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one"	"Brc1cc2OCOc2cc1\C=C/3\C(=O)Nc4ccc5OCOc5c34"	0	""	""	2	1	"54606088"	NA
"103704"	103704	""	"OC1CC(OC1C(=O)O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	5	5	"405516"	"65732447"
"103752"	103752	"STL194061"	"NC(=S)N\N=C\C(=O)O"	0	""	""	1	1	"6864590"	"928745"
"103755"	103755	""	"COC1C=CC2=C3Cc4cc5OCOc5cc4C3[N+](=CC2=C1OC)C.O[N+](=O)O"	0	NA	NA	1	1	"554202"	"16504146"
"103779"	103779	"gallocyanin"	"CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O"	0	NA	NA	1	1	"554205"	"1562852"
"103832"	103832	"3-[(E)-[[4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol"	"Oc1cccc(\C=N\N=C/2\NN\C(=N\N=C\c3cccc(O)c3)\c4ccccc24)c1"	0	""	""	1	1	"9568401"	"27703975"
"103870"	103870	"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone"	"O=C(C1C(C(N(C1c2ccccc2)c3ccccc3)c4ccccc4)C(=O)c5ccccc5)c6ccccc6"	0	""	""	1	1	"266393"	NA
"104129"	104129	"s-triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)buty..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)cc3Cl)cc2"	0	NA	NA	1	1	"554215"	"15986251"
"104133"	104133	"5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine"	"Nc1nc(N)c(c(\C=C\c2ccc(cc2)[N+](=O)[O-])n1)c3ccc(Cl)cc3"	0	""	""	1	1	"5474909"	"17005300"
"104795"	104795	"cyclamin"	"CC1(CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OCC(O)C(O)C%10O)C(O)C7OC%11OC(CO)C(O)C(O)C%11O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1)C=O"	0	NA	NA	1	1	"554250"	"23643767"
"104800"	104800	"Mitozolomide"	"OC(CBr)C(O)C(O)C(O)CBr"	0	"A7"	""	2	1	"-1"	"10318260"
"104801"	104801	"cytembena"	"COc1ccc(cc1)C(=O)\C(=C\C(=O)O)\Br"	0	NA	NA	15	10	"554254"	"2126707"
"104942"	104942	"euparotin"	"C\C=C(\C)/C(=O)OC1CC2(CO2)C3C(O)C=C(C)C3(O)C4OC(=O)C(=C)C14"	0	""	""	1	1	"5380731"	"10191012"
"104943"	104943	"Euparotin acetate"	"C\C=C(\C)/C(=O)O[C@@H]1C[C@]2(CO2)[C@@H]3[C@H](OC(=O)C)C=C(C)[C@]3(O)[C@H]4OC(=O)C(=C)[C@H]14"	0	""	""	2	2	"5281456"	NA
"104960"	104960	"[(E)-(3-ethoxypyridin-2-yl)methylideneamino]thiourea"	"CCOc1cccnc1\C=N\NC(=S)N"	0	""	""	1	1	"9562139"	"6839925"
"105014"	105014	"Cladribine"	"Nc1nc(Cl)nc2c1ncn2C3CC(O)C(CO)O3"	0	"Ds|ADA"	"FDA approved"	6	5	"-1"	"4291638"
"105023"	105023	"rubiflavin"	NA	0	""	""	2	1	"6450217"	NA
"105024"	105024	"Mithramycin"	NA	0	"Db|Rs"	"FDA approved"	1	1	"-1"	NA
"105131"	105131	"pycnamine"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	"405829"	NA
"105132"	105132	"Deoxycamptothecin"	"CCC1C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"266552"	NA
"105307"	105307	"ANM102934"	"COc1cc(\C=C\[N+](=O)[O-])c(cc1OC)[N+](=O)[O-]"	0	""	""	1	1	"5705391"	"16551841"
"105348"	105348	"2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone"	"COc1cc(Cl)c(CC(=O)c2c[nH]c3ccccc23)cc1OC"	0	""	""	2	2	"266625"	"7000477"
"105444"	105444	"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile"	"N#CC1(CCCC1)Nc2ccc(cc2)c3ccc(NC4(CCCC4)C#N)cc3"	0	""	""	1	1	"266698"	NA
"105509"	105509	"6-Bromochroman-2-one"	"Brc1ccc2OC(=O)CCc2c1"	0	""	""	1	1	"266737"	"20921000"
"105546"	105546	"riboprine(usan)"	"CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C"	0	NA	NA	2	2	"301163"	"7724767"
"105550"	105550	"4-Nitro-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	"[O-][N+](=O)c1cccc2C(=O)N(C(=O)c12)c3nc[nH]n3"	0	""	""	1	1	"266770"	NA
"105808"	105808	"5,8-quinolinedione, 6-amino-7-bromo-"	"NC1=C(Br)C(=O)c2ncccc2C1=O"	0	""	""	3	2	"266923"	"14173810"
"105827"	105827	"thiosangivamycin"	"NC(=S)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	2	2	"406267"	"22242906"
"105900"	105900	"4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid"	"OC(=O)CCC(=O)c1ccc2sc3ccccc3c2c1"	0	""	""	1	1	"266944"	"88878799"
"106139"	106139	"N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide"	"Oc1ccc(Cl)cc1\C=N\NC(=O)CCCC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	"135509602"	NA
"106193"	106193	"Fusarubin"	"COc1cc(O)c2C(=O)C3=C(CC(C)(O)OC3)C(=O)c2c1O"	0	""	""	2	2	"73421"	"1702778"
"106246"	106246	"1-methyl-3-[(Z)-2-nitroethenyl]indole"	"Cn1cc(\C=C/[N+](=O)[O-])c2ccccc12"	0	""	""	1	1	"1551121"	"2731002"
"106360"	106360	"N-(1,3,7-tribromo-9H-fluoren-2-yl)acetamide"	"CC(=O)Nc1c(Br)cc2c(Cc3cc(Br)ccc23)c1Br"	0	""	""	1	1	"267219"	NA
"106399"	106399	"Cucurbitacin E"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	22	16	"406639"	"18444661"
"106408"	106408	"Anthramycin methyl ether"	"CO[C@H]1Nc2c(O)c(C)ccc2C(=O)N3C=C(C[C@@H]13)\C=C\C(=O)N"	0	""	""	6	2	"5351221"	"5544252"
"106442"	106442	"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	"CC1COCC(C)N1C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	"267286"	"22359315"
"106445"	106445	"2-chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione"	"ClC1=C(N\N=C/2\NN\C(=N\NC3=C(Cl)C(=O)c4ccccc4C3=O)\c5ccccc25)C(=O)c6ccccc6C1=O"	0	""	""	1	1	"135509607"	"22295507"
"106461"	106461	"2,5-Dipyridin-2-yl-1,3,4-thiadiazole"	"c1ccc(nc1)c2nnc(s2)c3ccccn3"	0	""	""	1	1	"267294"	"2726923"
"106486"	106486	"laurusin"	"OCC1OC(C(O)C1O)c2n[nH]c3C(=O)N=CNc23"	0	NA	NA	1	1	"406712"	"13877764"
"106531"	106531	"urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso..."	"ClCCN(N=O)C(=O)Nc1ccc(Cl)c(Cl)c1"	0	""	""	2	1	"267343"	"15145423"
"106553"	106553	"Sapindoside A"	"CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC56C)C(=O)O)C3(C)CO)C(O)C(O)C1O"	0	NA	NA	1	1	"406764"	"27013918"
"106554"	106554	"musennin"	"CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C5CCC34C)C2C1)C(=O)O"	0	""	""	1	1	"267361"	"25480744"
"106557"	106557	"5.alpha.,25d-spirostan-3.beta.-ol glycoside"	NA	0	NA	NA	1	1	"406768"	NA
"106640"	106640	"(3-Nitrophenyl)(phenyl)iodanium bromide"	"[O-][N+](=O)c1cccc([I+]c2ccccc2)c1"	0	""	""	1	1	"24190300"	"23351895"
"106648"	106648	"Bis(2-methoxy-5-nitrophenyl)iodanium;bromide"	"COc1ccc(cc1[I+]c2cc(ccc2OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"24190303"	NA
"106677"	106677	"Senecionine N-Oxide"	"C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23"	0	NA	NA	1	1	"406851"	"13268672"
"106723"	106723	"STK032801"	"Oc1ccccc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"135509615"	"78486370"
"106859"	106859	"4-penten-1-ol, 5-(2-naphthalenyl)-4-nitro-, acetate (est..."	"CC(=O)OCCC\C(=C/c1ccc2ccccc2c1)\[N+](=O)[O-]"	0	""	""	1	1	"5380900"	"19893711"
"106907"	106907	"LS-158973"	"BrCCN(CCBr)C(=O)Nc1cccc2ccccc12"	0	""	""	1	1	"267555"	NA
"106909"	106909	"estra-1,3,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-..."	"C[C@]12CC[C@H]3[C@@H](CCc4cc(Oc5nc(nc(n5)N6CC6)N7CC7)ccc34)[C@@H]1CCC2=O"	0	""	""	1	1	"267557"	"22966821"
"106969"	106969	"Centaureidin"	"COC1=C(Oc2cc(O)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	1	1	"5315773"	"17313529"
"106995"	106995	"Lomofungin"	"COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"	0	NA	NA	2	2	"407018"	"26786845"
"107043"	107043	"A817740"	"COc1ccc(NC2=CC(=O)C(=O)c3ccccc23)nn1"	0	""	""	1	1	"267581"	"25107704"
"107067"	107067	"tirandamycin"	"C[C@H](\C=C(/C)\C=C\C(=C/1\C(=O)CNC1=O)\O)[C@H]2O[C@@]3(C)O[C@@H]([C@@H]2C)C(=O)[C@@H]4O[C@]34C"	0	NA	NA	1	1	"407032"	"34429704"
"107124"	107124	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(O)ccc5nc34)C2=O"	0	"TOP1"	""	9	8	"97226"	"19685097"
"107129"	107129	"3-Hydroxycard-20(22)-enolide"	"CC12CCC(O)CC1CCC3C4CCC(C5=CC(=O)OC5)C4(C)CCC23"	0	""	""	2	2	"267603"	"5672231"
"107237"	107237	"10-(1-benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid"	"Clc1ccc2Sc3ccccc3N(C4CCCN(Cc5ccccc5)C4)c2c1"	0	""	""	1	1	"5380916"	NA
"107392"	107392	"5-HP"	"NC(=S)N\N=C\c1ccc(O)cn1"	0	"Ds"	""	11	7	"135453292"	"19494894"
"107413"	107413	"securinin"	"O=C1OC23CC(C=CC2=C1)N4CCCCC34"	0	NA	NA	1	1	"407240"	"5610402"
"107432"	107432	"solypertine tartrate(usan)"	"COc1ccccc1N2CCN(CCc3c[nH]c4cc5OCOc5cc34)CC2"	0	NA	NA	1	1	"407248"	"5591435"
"107512"	107512	"7h-pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-amino-7..."	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C(=N)NO"	0	""	""	2	1	"5369182"	"22242893"
"107529"	107529	"pararosaniline pamoate"	"Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O"	0	""	""	2	2	"24040"	"49722318"
"107658"	107658	"Cytochalasin B"	"C[C@@H]1CCC[C@@H](O)\C=C\C(=O)O[C@]23[C@@H](\C=C\C1)[C@H](O)C(=C)[C@@H](C)[C@H]2[C@H](Cc4ccccc4)NC3=O"	0	NA	NA	12	12	"407385"	"14930962"
"107660"	107660	"actinomycin pip t.beta."	"[R]C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C.[R]C(=O)NC3C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C4CCCCN4C(=O)C(NC3=O)C(C)C.CC5=C6Oc7c(C)cccc7N=C6C=C(N)C5=O"	0	""	""	2	1	"5458205"	NA
"107680"	107680	"Flumethasone Pivalate"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C"	0	NA	NA	1	1	"407405"	"2002291"
"107818"	107818	"[(Z)-(2,6-dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate"	"[O-][N+](=O)c1ccc(Cl)c(\C=N\OC(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl"	0	""	""	1	1	"54604080"	"92167561"
"108018"	108018	"14-chelidoninone"	"CN1C2C(C(O)Cc3cc4OCOc4cc23)c5ccc6OCOc6c5C1=O"	0	""	""	1	1	"268004"	NA
"108165"	108165	"navan"	"CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C/CCN4CCN(C)CC4)\c2c1"	0	NA	NA	2	1	"407637"	"5591457"
"108225"	108225	"Epitope ID:167836"	"CN(C)CCSS(=O)(=O)O"	0	""	""	1	1	"97248"	"14013300"
"108608"	108608	"AK550028"	"NCC1OC(C(O)C1O)n2cnc3C(=O)NC(=Nc23)N"	0	""	""	2	1	"135451589"	"4099847"
"109072"	109072	"3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(c2C(=O)O1)[N+](=O)[O-]"	0	""	""	2	2	"16683294"	"23535877"
"109084"	109084	"2-[2-(Aziridin-1-yl)ethoxy]quinoline"	"C(CN1CC1)Oc2ccc3ccccc3n2"	0	""	""	1	1	"268715"	NA
"109128"	109128	"16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate"	"CC(=O)OC1CCC2(C)C(CCC3C4CC(C(C(=O)C)C4(C)C(=O)CC23)N5CC5)C1"	0	""	""	1	1	"268745"	"19459600"
"109131"	109131	"10,13-dimethyl-17-(2-(6-(methylthio)-9h-purin-9-yl)acety..."	"CSc1ncnc2c1ncn2CC(=O)C3CCC4C5CCC6=CC(=O)CCC6(C)C5CCC34C"	0	""	""	2	1	"268748"	"21170274"
"109154"	109154	"(E)-1,3-diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one"	"O=C(\C(=C/c1ccccc1)\CN2CCCCC2)c3ccccc3"	0	""	""	2	2	"6147837"	"7204446"
"109155"	109155	"2-[(Tert-butylamino)(phenyl)methyl]-1-phenylprop-2-en-1-one"	"CC(C)(C)NC(C(=C)C(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"268761"	"7204424"
"109156"	109156	""	"CC(C)(C)NC\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	NA	NA	1	1	"408396"	"7204435"
"109188"	109188	"4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid"	"Nc1ccc(cc1)C(=O)O.Nc2nc(N)c3[nH]cnc3n2.OS(=O)(=O)O"	0	""	""	1	1	"3246385"	NA
"109229"	109229	"Asparaginase"	NA	0	"AM|Pi"	"FDA approved"	104	80	"-1"	"9015683"
"109248"	109248	"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone"	"CC(=O)c1ccc(O)c(CN(C2CCCCC2)C3CCCCC3)c1O"	0	""	""	1	1	"268806"	NA
"109254"	109254	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine"	"CC(C)(C)CC(C)(C)N(CSc1ccc(Cl)cc1)CSc2ccc(Cl)cc2"	0	""	""	1	1	"268812"	"67857765"
"109292"	109292	""	"CC#CC#CC1=CC=CC(=O)O1"	0	NA	NA	1	1	"408490"	"20851325"
"109351"	109351	"daunomycinon"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	6	2	"554684"	"21794558"
"109440"	109440	"theasapogenol a"	"CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O"	0	NA	NA	2	1	"408614"	"13844229"
"109451"	109451	"2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline"	"Cc1cc(Cl)nc2ccc(Cc3ccc4nc(Cl)cc(C)c4c3)cc12"	0	""	""	1	1	"268954"	NA
"109509"	109509	"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol"	"CC(NCCN(C)C)C1CCC2C3CCc4cc(O)ccc4C3CCC12C"	0	""	""	2	1	"268993"	"72377"
"109555"	109555	"ddug"	"C\C(=N\NC(=N)N)\c1ccc(NC(=O)Nc2ccc(cc2)\C(=N\NC(=N)N)\C)cc1"	0	NA	NA	2	2	"408710"	"15427937"
"109593"	109593	"3-((1,3-benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one"	"O=C1Oc2cc(ccc2c3ccccc13)\N=C\c4ccc5OCOc5c4"	0	""	""	1	1	"269048"	NA
"109724"	109724	"Ifosfamide"	"ClCCNP1(=O)OCCCN1CCCl"	0	"A7|AlkAg"	"FDA approved"	52	3	"-1"	"3778732"
"109825"	109825	""	"NC1(CSSC1)C(=O)O"	0	NA	NA	1	1	"408914"	"32418976"
"109834"	109834	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCc3cccc(N)c3)c2"	0	NA	NA	2	2	"554722"	NA
"109836"	109836	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCc3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	2	2	"554724"	"19157994"
"109838"	109838	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(\C=C\C=C\c3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	1	1	"554726"	"19157916"
"109874"	109874	"Benzimate"	"COC(=O)Nc1nc2ccccc2[nH]1"	0	"TUBB"	"Clinical trial"	2	2	"25429"	"10605217"
"110101"	110101	"2-(Dodecylsulfanyl)-1,4-benzoquinone"	"CCCCCCCCCCCCSC1=CC(=O)C=CC1=O"	0	""	""	2	2	"269320"	"55034758"
"110275"	110275	"9205AB"	"Cc1nc(N)nc2ccccc12"	0	""	""	2	1	"269325"	"6141022"
"110363"	110363	"2,4-dichlorobenzyltriphenylphosphonium chloride"	"Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Cl)c1"	0	NA	NA	1	1	"554758"	"2492231"
"110383"	110383	"naphtho[1,2-c]quinolizinium, 13-methyl-, chloride"	"Cc1cc2c3ccccc3ccc2[n+]4ccccc14"	0	""	""	2	2	"21144417"	NA
"110407"	110407	"Nitromifene citrate"	"COc1ccc(cc1)\C(=C(/c2ccccc2)\[N+](=O)[O-])\c3ccc(OCCN4CCCC4)cc3"	0	NA	NA	2	2	"409126"	"5863354"
"110602"	110602	"phosphonium, triphenyl-1,2-propadienyl-, bromide (9ci)"	"C=C=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"554792"	"54599994"
"110609"	110609	"Allyltriphenylphosphonium bromide"	"C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"554797"	"1560549"
"110630"	110630	"N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide"	"CCCCC(=O)N\N=C\c1c(O)ccc2ccccc12"	0	""	""	2	2	"135509648"	NA
"110800"	110800	"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-"	"ClCCN(N=O)C(=O)NC1CCSc2ccccc12"	0	""	""	2	1	"98351"	"33022036"
"111041"	111041	"2,8(1h,5h)-quinolinedione,7-amino-5-imino-"	"NC1=CC(=N)C2=C(NC(=O)C=C2)C1=O"	0	""	""	1	1	"269624"	NA
"111062"	111062	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCCOc3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	2	2	"554830"	"19157938"
"111118"	111118	"Bis(4-chlorophenyl) carbonotrithioate"	"Clc1ccc(SC(=S)Sc2ccc(Cl)cc2)cc1"	0	""	""	1	1	"269665"	"24455296"
"111119"	111119	"2h-1-benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-,..."	"CCOC(=O)C1=Cc2c(OC)cc(OC)cc2OC1=O"	0	""	""	1	1	"269666"	"82235618"
"111135"	111135	"4-[4-(Diethylamino)-2-methylphenyl]imino-N-(4-methylsulfonylphenyl)-1-oxonaphthalene-2-carboxamide"	"CCN(CC)c1ccc(\N=C/2\C=C(C(=O)Nc3ccc(cc3)S(=O)(=O)C)C(=O)c4ccccc24)c(C)c1"	0	""	""	1	1	"269678"	NA
"111180"	111180	"Acetylcysteine"	"CC(=O)NC(CS)C(=O)O"	0	""	"FDA approved"	2	1	"-1"	"616911"
"111533"	111533	"Methoxycamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC)ccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	"19685100"
"111556"	111556	"Naphthalene, 2-(2-nitrovinyl)-"	"[O-][N+](=O)\C=C\c1ccc2ccccc2c1"	0	NA	NA	2	2	"409651"	"21461461"
"111580"	111580	"CBDivE_010867"	"O=C1Nc2ccccc2/C/1=N/N=C\3/NC=CC=C3"	0	""	""	1	1	"269887"	"20144030"
"111581"	111581	"indole-2,3-dione, 3-[(o-nitrophenyl)hydrazone]"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	2	2	"3734796"	"20096359"
"111650"	111650	"4-(1-Adamantylsulfonyl)aniline"	"Nc1ccc(cc1)S(=O)(=O)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	"269930"	"68748867"
"111654"	111654	"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline"	"Nc1ccc(SC23CC4CC(CC(C4)C2)C3)cc1"	0	""	""	1	1	"269934"	"56714886"
"111702"	111702	"p-dioxane-2-methanol, 3,5-dihydroxy-6-[6-(methylthio)-9h..."	"CSc1ncnc2c1ncn2C3OC(CO)C(O)OC3O"	0	""	""	2	2	"269951"	"51112620"
"112125"	112125	"tptz (iron reagent)"	"c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4"	0	""	""	1	1	"77258"	"3682357"
"112147"	112147	"[16-(Aziridin-1-ylmethyl)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(CN5CC5)C4=O)C3CC=C2C1"	0	""	""	2	2	"270053"	"10475000"
"112152"	112152	"Plumericin"	"COC(=O)C1=CO[C@@H]2O[C@H]3\C(=C/C)\C(=O)O[C@]34C=C[C@H]1[C@H]24"	0	NA	NA	6	3	"409876"	"77167"
"112166"	112166	"Cucurbitacin K"	"CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C"	0	NA	NA	9	4	"409890"	"6766434"
"112167"	112167	"elatericin b"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	9	4	"5281321"	"2222073"
"112200"	112200	"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione"	"CC1=C(Br)C(=O)C(=C(Br)C1=O)C.Cc2c(O)c(Br)c(C)c(O)c2Br"	0	""	""	2	2	"270077"	NA
"112257"	112257	"fenakrom blue xr"	"[Na+].Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)O"	0	NA	NA	1	1	"554995"	"3564189"
"112535"	112535	"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-[2..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCCOc3ccc(cc3)[N+](=O)[O-])c2"	0	NA	NA	1	1	"555042"	"19157927"
"112751"	112751	"4-Chloro-2-((3-quinolinylimino)methyl)phenol"	"Oc1ccc(Cl)cc1\C=N\c2cnc3ccccc3c2"	0	""	""	2	2	"270355"	NA
"112758"	112758	"rubomycin"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	2	2	"555066"	NA
"112796"	112796	"1-Benzyl-2-(benzyloxy)imidazolidine"	"C(OC1NCCN1Cc2ccccc2)c3ccccc3"	0	""	""	1	1	"270389"	NA
"112846"	112846	"quinaspar"	"Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	"555076"	"18921658"
"112849"	112849	"AT-051/43422431"	"NC(=N)Nc1ccc(\C=C/2\C=Cc3ccccc23)cc1"	0	""	""	2	1	"6474733"	"30117705"
"112929"	112929	"sennoside a (8ci)"	"OCC1OC(Oc2cccc3C(C4c5cccc(OC6OC(CO)C(O)C(O)C6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)C(O)C(O)C1O"	0	NA	NA	1	1	"555084"	"81276"
"112938"	112938	"4,4,4-Triphenylbutanoic acid"	"OC(=O)CCC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	1	"270495"	"16778099"
"112960"	112960	"ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate"	"CCOC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1"	0	""	""	2	2	"6304618"	NA
"112965"	112965	"BRD-K68192143-001-01-5"	"ON(C(=O)CF)c1ccc(\C=C\c2ccccc2)cc1"	0	""	""	2	2	"5976008"	NA
"113053"	113053	"J3.522.543I"	"COC(=O)\C=C\C=C(c1ccccc1)c2ccccc2"	0	""	""	1	1	"6163542"	NA
"113112"	113112	"phosphinic amide, p,p-bis(2,2-dimethyl-1-aziridinyl)-n-2..."	"CC1(C)CN1P(=O)(Nc2ncccn2)N3CC3(C)C"	0	""	""	1	1	"270614"	NA
"113130"	113130	"Isopropyltriphenylphosphonium bromide"	"CC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"2795292"	"1530332"
"113136"	113136	"Mansonone F"	"CC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c23"	0	""	""	2	2	"94304"	"5090880"
"113137"	113137	"salmotin"	"CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O"	0	NA	NA	6	2	"410541"	"525940"
"113220"	113220	"benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dime..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	"270636"	"19188626"
"113237"	113237	""	"CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4N(CCc5cc(OC)c(OC)cc45)C(=O)C(N)Cc6ccccc6"	0	NA	NA	1	1	"555117"	NA
"113423"	113423	"baker's antifol"	"Cc1cc(NC(=O)CCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	"64840"	"21321039"
"113452"	113452	"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	"OC1=C(CCCc2ccc(cc2)C3CCCCCC3)C(=O)c4ccccc4C1=O"	0	""	""	2	2	"270723"	"17089144"
"113455"	113455	"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	"OC1=C(CCCc2ccc(cc2)C3CCCCC3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	"270725"	"18100179"
"113497"	113497	"gedunin"	"CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C3CCC4(C)C(OC(=O)C5OC45C13C)c6cocc6"	0	NA	NA	1	1	"410685"	"2753302"
"113764"	113764	"u 32027"	"O=C1NC(Nc2ccccc12)c3ccccc3"	0	""	""	3	2	"270800"	"954916"
"113802"	113802	"2-(4-Chlorophenyl)-1-hydroxy-1h-indole-3-carbonitrile"	"On1c(c2ccc(Cl)cc2)c(C#N)c3ccccc13"	0	""	""	1	1	"270811"	NA
"113908"	113908	"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3cccc(c3)S(=O)(=O)F)cc2"	0	""	""	1	1	"270820"	"19160248"
"113918"	113918	"4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCC(=O)Nc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	"270832"	"19160259"
"113926"	113926	"rifa"	"CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCN(C)CC5)c(O)c4c3C2=O"	0	""	"FDA approved"	1	1	"135398735"	"13292461"
"113943"	113943	"6-bromosangivamycin"	"NC(=O)c1c(Br)n(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	3	3	"410790"	"20201563"
"113951"	113951	"6-Bromotoyocamycin"	"Nc1ncnc2c1c(C#N)c(Br)n2C3OC(CO)C(O)C3O"	0	NA	NA	3	2	"410798"	"20201552"
"114016"	114016	"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline"	"Cc1c2CCN=Cc2c(C)c3c4CCCCc4oc13"	0	""	""	1	1	"270883"	"23018259"
"114340"	114340	"ophiobolin"	"CC1CC(OC12CCC3(C)CC4C(C(=O)CC4(C)O)\C(=C/CC23)\C=O)C=C(C)C"	0	NA	NA	2	2	"410945"	"4611056"
"114341"	114341	"Caerulomycin"	"COc1cc(\C=N/O)nc(c1)c2ccccn2"	0	""	""	2	2	"135478684"	"19462078"
"114345"	114345	"u 27744"	"COC(=O)C1c2cc3C(=O)c4c5OC6OC(C)(C(O)C(C6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2CCC1(C)O"	0	""	""	1	1	"151719"	"62422008"
"114346"	114346	"Diethyl(acetylamino)({6-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2cc(ccc12)N(CCO)CCO)(NC(=O)C)C(=O)OCC"	0	""	""	2	1	"270973"	NA
"114381"	114381	"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide"	"NS(=O)(=O)c1cc(Br)c(N=Nc2ccc(O)c3ncccc23)c(Br)c1"	0	""	""	1	1	"271001"	"39150442"
"114382"	114382	"SC-60646"	"Cc1cc(Nc2ccc(cc2)N=Nc3ccc(O)c4ncccc34)nc(C)n1"	0	""	""	2	1	"419381"	NA
"114384"	114384	"4-[(8-hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide"	"Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)c4cccnc14"	0	""	""	2	2	"419383"	"29821918"
"114512"	114512	"Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury"	"CC(=O)O[Hg]CC1(C)COC(C)(C[Hg]OC(=O)C)CO1"	0	""	""	2	2	"16683716"	NA
"114514"	114514	"4-[(2,4-Diaminopyrimidin-5-yl)methyl-methylamino]benzoic acid;hydrobromide"	"CN(Cc1cnc(N)nc1N)c2ccc(cc2)C(=O)O"	0	""	""	1	1	"24190776"	"20781128"
"114567"	114567	"eupachlorin"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(O)C=C(C)C2(O)C3OC(=O)C(=C)C13"	0	""	""	2	2	"5458217"	"20071505"
"114568"	114568	"eupachlorin acetate"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(OC(=O)C)C=C(C)C2(O)C3OC(=O)C(=C)C13"	0	""	""	2	2	"5458218"	"20501524"
"114570"	114570	"eupachloroxin"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(O)C3OC3(C)C2(O)C4OC(=O)C(=C)C14"	0	""	""	1	1	"5917065"	"20071527"
"114572"	114572	"ryanodine"	"CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C3(O)C4(C)CC5(O)OC6(C(O)C(C)CCC46O)C3(O)C15C"	0	NA	NA	2	1	"555278"	NA
"114575"	114575	"Mitoclomine"	"COc1c(C)cc(N(CCCl)CCCl)c2ccccc12"	0	""	""	1	1	"28694"	"17692545"
"114696"	114696	""	"Brc1cc2c(Cc3ccccc23)cc1[N+]#N"	0	NA	NA	1	1	"555300"	NA
"114766"	114766	"2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid"	"NC(=O)NC(=O)C1CCCCC1C(=O)O"	0	""	""	1	1	"271298"	NA
"114781"	114781	"Pederin"	"COC[C@H](C[C@H]1O[C@@H](C[C@@H](O)C1(C)C)[C@@H](NC(=O)[C@@H](O)[C@]2(CC(=C)[C@@H](C)[C@@H](C)O2)OC)OC)OC"	0	NA	NA	2	1	"411302"	"27973724"
"115447"	115447	"1,4-diaminoanthraquinone-2,3-dicarboximide"	"Nc1c2C(=O)NC(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	2	2	"67192"	"128814"
"115497"	115497	"toxifren"	"CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C1=O)O"	0	""	""	1	1	"8237"	"114421"
"115526"	115526	"3,4-dimethylpyrazolo[3,2-c]-as-triazine"	"Cc1nnc2ccnn2c1C"	0	""	""	1	1	"271622"	"6726494"
"115610"	115610	"[3,4,5-triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	"419515"	NA
"115618"	115618	"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one"	"[O-][N+](=O)c1ccc(CC2C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	"271691"	"13220445"
"115625"	115625	"((3-(2-aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid"	"NCCc1c[nH]c2ccc(OC(=O)C(=O)O)cc12"	0	""	""	1	1	"271694"	"319711"
"115684"	115684	""	"O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	1	"555427"	"4885578"
"115712"	115712	"tubercidin 3', 5'-cyclic phosphate sesquihydrate"	"Nc1ncnc2c1ccn2C3OC4COP(=O)(O)OC4C3O"	0	NA	NA	2	2	"411841"	"16719361"
"115829"	115829	"cb 954"	"NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	4	1	"89105"	"21919051"
"115855"	115855	"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol"	"Cc1ccc2ccc(C)c(C)c2c1.Oc3c(cc(c(O)c3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	"271872"	NA
"115892"	115892	"Quinolin-8-ol; xanthen-9-one"	"Oc1cccc2cccnc12.O=C3c4ccccc4Oc5ccccc35"	0	""	""	1	1	"271897"	NA
"115905"	115905	"euchrysin"	"Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N"	0	""	""	2	1	"72769"	"4215956"
"115928"	115928	"benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(c2)C#N"	0	""	""	1	1	"271921"	"70743565"
"115980"	115980	"N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide"	"CN(C)c1ccc(\C=N\NC(=O)c2cccc3ccccc23)c(Cl)c1"	0	""	""	1	1	"9568495"	NA
"116280"	116280	"7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.be..."	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3nc[n+]([O-])c(N)c13"	0	""	""	2	2	"3691874"	NA
"116282"	116282	"7h-pyrrolo[2,3-d]pyrimidine-5-carbohydroximic acid, 4-am..."	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C(=O)NO"	0	""	""	2	1	"54603433"	"21090426"
"116336"	116336	"Dehydroheliotridine"	"OCc1ccn2CC[C@H](O)c12"	0	NA	NA	1	1	"412220"	"26400248"
"116491"	116491	"12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine"	"CN1CCN(CC(=O)N2c3ccccc3Sc4cc5ccccc5cc24)CC1"	0	""	""	1	1	"272209"	"18587274"
"116535"	116535	"indole-2,3-dione, 3-[(pentafluorophenyl)hydrazone]"	"Fc1c(F)c(F)c(N\N=C\2/C(=O)Nc3ccccc23)c(F)c1F"	0	""	""	2	2	"272247"	"21231389"
"116536"	116536	"ARONIS002269"	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	2	2	"3776068"	"31107069"
"116555"	116555	"nogalamycin-n-oxide"	"COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)[N+](C)(C)[O-])c6cc(O)c5C(=O)c4cc23)C(OC)C1(C)OC"	0	""	""	2	2	"272259"	NA
"116590"	116590	"2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine"	"[O-][N+](=O)c1cccc(c1)C2ON2C3CCCCC3"	0	""	""	1	1	"272286"	"23898579"
"116640"	116640	"pyrrole-3-carbonitrile, 2-(1-isoquinolyl)-5-phenyl-"	"N#Cc1cc([nH]c1c2nccc3ccccc23)c4ccccc4"	0	""	""	1	1	"272334"	NA
"116661"	116661	""	"C(c1ccccc1)P(c2ccccc2)(C34C5=C6C7=C3[Fe]456789%10%11C%12C8=C9C%10=C%11%12)C%13%14C%15=C%16C%17=C%13[Fe]%14%15%16%17%18%19%20%21C%22C%18=C%19C%20=C%21%22"	0	NA	NA	1	1	"555570"	NA
"116689"	116689	""	"Cc1ccc(cc1)[P+](Cc2ccc(cc2)[N+](=O)[O-])(c3ccc(C)cc3)c4ccc(C)cc4"	0	NA	NA	1	1	"555583"	NA
"116692"	116692	""	"Cc1ccc(cc1)[S+](c2ccccc2)c3cc(C)ccc3C"	0	NA	NA	1	1	"555585"	"4024117"
"116693"	116693	"2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium"	"Cc1ccc(cc1)[S+](c2ccccc2)c3cc(C)ccc3C.OC(=O)C(OC(=O)c4ccccc4)C(OC(=O)c5ccccc5)C(=O)[O-]"	0	""	""	2	2	"5351228"	NA
"116702"	116702	"isoquinoline, 1-(5-phenyl-4-p-tolyl-2-oxazolyl)-"	"Cc1ccc(cc1)c2nc(oc2c3ccccc3)c4nccc5ccccc45"	0	""	""	1	1	"272358"	NA
"116716"	116716	""	"Cc1ccccc1[P+](Cc2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"555595"	"14479517"
"116717"	116717	""	"Cc1ccc(cc1)[P+](Cc2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"555596"	"13432865"
"116758"	116758	"7-nitro-9H-fluorene-2-carboxylic acid"	"OC(=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1"	0	""	""	1	1	"272395"	NA
"116787"	116787	"venenatine"	"COC1C(O)C(C)OC(O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	"412572"	"663956"
"116789"	116789	"acovenoside b"	"COC1C(O)C(C)OC(OC2CC3CCC4C(CCC5(C)C(CCC45O)C6=CC(=O)OC6)C3(O)C(C2)OC(=O)C)C1O"	0	""	""	2	2	"272418"	NA
"116878"	116878	"cardiac glycoside"	NA	0	NA	NA	2	1	"412637"	NA
"117011"	117011	"AG-205/37066085"	"Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)c(C)c1"	0	""	""	1	1	"272555"	"69085387"
"117015"	117015	"4-[(3-Bromophenyl)amino]naphthalene-1,2-dione"	"Brc1cccc(NC2=CC(=O)C(=O)c3ccccc23)c1"	0	""	""	1	1	"272559"	NA
"117017"	117017	""	"[O-][N+](=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	NA	NA	1	1	"412728"	"75140055"
"117024"	117024	""	"Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	NA	NA	1	1	"412734"	"69085398"
"117028"	117028	"8-quinolinol, 5-bromo-7-[(4-phenyl-1-piperazinyl)methyl]-"	"Oc1c(CN2CCN(CC2)c3ccccc3)cc(Br)c4cccnc14"	0	""	""	2	2	"272568"	"500363622"
"117180"	117180	"1.alpha.,2.alpha.-epxoyscillirosidin"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)C6OC6C(O)C=C15"	0	""	""	5	1	"272581"	"10262392"
"117181"	117181	"cyclopiazonic acid"	"CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O"	0	NA	NA	1	1	"412757"	"18172333"
"117185"	117185	"2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide"	"C[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc4ccccc14"	0	""	""	1	1	"54610240"	"76384480"
"117186"	117186	"Acetalax"	"CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4"	0	"NonCan:Cath"	"FDA approved"	2	2	"-1"	"115333"
"117187"	117187	"indole-2,3-dione, 5,7-dichloro-, 3-[(o-nitrophenyl) hydr..."	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	3	2	"3724036"	"21231345"
"117188"	117188	"7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3c(Cl)cccc23"	0	""	""	3	2	"3755584"	"21303457"
"117191"	117191	"AE-848/32614027"	"Cc1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	"272588"	"21231414"
"117192"	117192	"indole-2,3-dione, 3-[(o-chlorophenyl)hydrazone]"	"Clc1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	2	2	"272589"	"21231390"
"117194"	117194	"Z49571350"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	3	2	"3718835"	"21303399"
"117196"	117196	"3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3cccc(c23)C(F)(F)F"	0	""	""	1	1	"3347168"	"21303388"
"117199"	117199	"US8987474, HL1-056 (NSC-117199)"	"OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1"	0	""	""	1	1	"3246406"	"21303446"
"117212"	117212	"A818039"	"O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1.O=C3OC(=O)c4cc5C(=O)OC(=O)c5cc34"	0	""	""	1	1	"272598"	"25656568"
"117222"	117222	"(E)-4,5-Dibromo-1,5-diphenyl-pent-1-EN-3-one"	"BrC(C(Br)c1ccccc1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	"6107678"	"72998153"
"117232"	117232	"STL367800"	"BrC(C(Br)c1ccccc1)C(=O)C(Br)C(Br)c2ccccc2"	0	""	""	2	2	"272617"	"19922771"
"117269"	117269	"4-(4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2h)-yl..."	"NC1=NC(N(C(=N1)N)c2ccc(cc2)S(=O)(=O)Nc3ncccn3)c4ccc(Cl)cc4"	0	""	""	1	1	"272646"	NA
"117271"	117271	"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione"	"OC1=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)C(=O)c5ccccc5C1=O"	0	""	""	2	2	"272648"	NA
"117274"	117274	""	"OC1=C(C(CCc2ccccc2)C3=C(O)C(=O)c4ccccc4C3=O)C(=O)c5ccccc5C1=O"	0	NA	NA	1	1	"412835"	NA
"117281"	117281	"antineoplastic-117281"	"Nc1nc(N)c(N=Nc2ccc(c(O)c2)[As](=O)(O)O)c(N)n1"	0	""	""	2	2	"272658"	NA
"117285"	117285	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	"Nc1nc(N)c(N=Nc2ccc(C(=O)O)c(O)c2)c(N)n1"	0	""	""	1	1	"272662"	NA
"117356"	117356	"d-amethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	"412893"	"51865793"
"117614"	117614	"adoca"	"NC1=NC(=O)N(C=C1)C2OC(COC(=O)C34CC5CC(CC(C5)C3)C4)C(O)C2O"	0	NA	NA	4	3	"413114"	"23113011"
"117619"	117619	"1-(2,3-Diphenylcycloprop-2-en-1-yl)urea"	"NC(=O)NC1C(=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	"272896"	NA
"117739"	117739	"3-(2,4-Dinitrophenoxy)pyridine"	"[O-][N+](=O)c1ccc(Oc2cccnc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"272938"	"40604271"
"117915"	117915	"indole-2,3-dione, 5-methyl-, 3-[(o-nitrophenyl)hydrazone]"	"Cc1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1"	0	""	""	2	2	"3632950"	"21303424"
"117917"	117917	"indole-2,3-dione, 7-methyl-, 3-[(o-nitrophenyl)hydrazone]"	"Cc1cccc2\C(=N\Nc3ccccc3[N+](=O)[O-])\C(=O)Nc12"	0	""	""	3	2	"3693487"	"21303468"
"117949"	117949	"4-[(4,5-Dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]-N,N-dimethylbenzenesulfonamide"	"CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1"	0	""	""	1	1	"3246414"	NA
"118028"	118028	"phenazastanine, 5,10-dihydro-5,10,10-trimethyl-"	"CN1c2ccccc2[Sn](C)(C)c3ccccc13"	0	""	""	2	1	"273088"	"17154517"
"118030"	118030	"QN6S3B7ZA5"	"CN1c2ccc(C)cc2[Sn](c3ccccc3)(c4ccccc4)c5cc(C)ccc15"	0	""	""	2	1	"419766"	"17154540"
"118051"	118051	"bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC"	0	""	""	2	2	"273108"	NA
"118087"	118087	""	"Cl[Au]Cl.O=C1[O-][Au+3]2(NC3(CCCC3)C(=O)[O-]2)NC14CCCC4"	0	NA	NA	1	1	"555791"	NA
"118090"	118090	"Isoxanthopterin"	"NC1=NC(=O)C2=C(N1)NC(=O)C=N2"	0	NA	NA	6	1	"413376"	"529691"
"118095"	118095	"1,2,4,5-tetraaminobenzene tetrahydrochloride"	"Nc1cc(N)c(N)cc1N"	0	""	""	1	1	"381091"	"4506665"
"118097"	118097	"9229AE"	"Clc1cccc(Cl)c1CSC#N"	0	""	""	2	2	"82034"	"7534647"
"118176"	118176	"Prototryptochrome, iodo-"	"OC1C2C3C4N(C1=N)c5ccccc5C4(I)C(O)C(=N)N3c6ccccc26"	0	""	""	1	1	"273178"	NA
"118218"	118218	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	2	2	"-1"	"21679141"
"118516"	118516	"Copper;1,2-dicarboxyethylazanide"	"OC(=O)CC1N[Cu]2(NC(CC(=O)O)C(=O)O2)OC1=O"	0	""	""	1	1	"419807"	NA
"118695"	118695	"xanthomycin"	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5[C@@]3(C)O"	0	NA	NA	1	1	"555878"	"13040987"
"118732"	118732	"NCIMech_000126"	"Cc1ccc(C)c2\C(=N\Nc3ccccc3[N+](=O)[O-])\C(=O)Nc12"	0	""	""	1	1	"3403987"	"21231356"
"118742"	118742	"Pentamethylmelamine"	"CNc1nc(nc(n1)N(C)C)N(C)C"	0	NA	NA	10	2	"555892"	"35832098"
"118767"	118767	"3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid"	"COc1cc(OCc2ccccc2)c3C(=CC(=O)Oc3c1)CCC(=O)O.COc4cc(OCc5ccccc5)cc6OC(=O)C=C(CCC(=O)O)c46"	0	""	""	1	1	"273493"	NA
"118836"	118836	"4-(acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate"	"CN1CC(=C(NC(=O)C)C1=O)OS(=O)(=O)c2ccc(C)cc2"	0	""	""	2	1	"273548"	NA
"118976"	118976	"Benzyl Isothiocyanate"	"S=C=NCc1ccccc1"	0	NA	NA	2	2	"413937"	"622786"
"118994"	118994	"Inosine dialdehyde"	"OC[C@@H](O[C@H](C=O)n1cnc2C(=O)N=CNc12)C=O"	0	"Ds"	""	9	5	"135400916"	"23590990"
"119236"	119236	"ChemDiv3_001941"	"CCOC(=O)c1c2C(=O)c3ccccc3C(=O)c2n4ccccc14"	0	""	""	1	1	"273769"	"3306932"
"119621"	119621	"ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate"	"CCOC(=O)C1C(O)CC2C1c3ccccc3c4ccccc24"	0	""	""	1	1	"273923"	NA
"119754"	119754	"Coptisine Chloride"	"C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1"	0	""	""	2	2	"72321"	"6020184"
"119875"	119875	"Cisplatin"	"[Cl-][Pt+2]([Cl-])(N)N"	0	"A7|AlkAg"	"FDA approved"	149	98	"-1"	"15663271"
"119889"	119889	"2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9h-xanthen-9-yl)benz..."	"OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C2c3ccc(O)cc3Oc4cc(O)ccc24"	0	""	""	1	1	"274104"	"500533915"
"119910"	119910	"2-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)cyclohexanecar..."	"OC(=O)C1CCCCC1C2=C3C=CC(=O)C(=C3Oc4c(O)c(O)ccc24)O"	0	""	""	1	1	"274122"	NA
"119913"	119913	"7-methyl-3-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)bicyc..."	"CC1C2C=CC1C(C2C(=O)O)C3=C4C=CC(=O)C(=C4Oc5c(O)c(O)ccc35)O"	0	""	""	1	1	"274125"	NA
"119915"	119915	"3-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)propanoic acid"	"OC(=O)CCC1=C2C=CC(=O)C(=C2Oc3c(O)c(O)ccc13)O"	0	""	""	1	1	"274127"	NA
"120050"	120050	"4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride"	"NC(=O)c1c[nH]c2ncnc(N)c12"	0	""	""	1	1	"24191132"	NA
"120186"	120186	"EC-000.1784"	"Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C=O"	0	""	""	1	1	"274241"	"6590654"
"120288"	120288	"5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid"	"OC(=O)c1nnsc1c2ccc(cc2)c3snnc3C(=O)O"	0	""	""	1	1	"274297"	NA
"120634"	120634	"RTX-012089"	"NNS(=O)(=O)c1cc(cc(c1)C(=O)O)C(=O)O"	0	""	""	1	1	"274548"	"89626108"
"120672"	120672	"2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid"	"OC(=O)c1ccccc1\C=N\N=C2c3ccccc3c4ccccc24"	0	""	""	1	1	"5351984"	NA
"120925"	120925	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCNC(=O)Nc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"274726"	"25313002"
"120958"	120958	"kinetin riboside"	"OCC1OC(C(O)C1O)n2cnc3c(NCc4occc4)ncnc23"	0	NA	NA	2	2	"415254"	"4338470"
"121073"	121073	"2-[(9-Methylpentadecan-7-yl)amino]ethyl 4-nitrobenzoate"	"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"274793"	NA
"121129"	121129	"2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride"	"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"24191363"	NA
"121139"	121139	"Acrophylline"	"COc1ccc2C(=O)c3ccoc3N(CC=C(C)C)c2c1"	0	""	""	2	2	"87840"	"18904400"
"121145"	121145	"drosopholin b"	"C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO"	0	NA	NA	2	1	"415340"	"125655"
"121155"	121155	"CS-0060737"	"C\C(=C/c1ccc2ccccc2c1)\[N+](=O)[O-]"	0	""	""	1	1	"5381681"	"59832121"
"121182"	121182	"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine"	"NC1C(O)C(CO)OC1n2cnc3c(N)ncnc23"	0	NA	NA	1	1	"415374"	"24807849"
"121208"	121208	"Tnbt"	"COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-])c5ccc(c(OC)c5)[n+]6nc(nn6c7ccc(cc7)[N+](=O)[O-])c8ccc(cc8)[N+](=O)[O-]"	0	NA	NA	2	2	"556381"	"1184436"
"121210"	121210	"dehydroepiandrosterone mustard"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC2=O"	0	""	""	1	1	"198019"	"24141900"
"121322"	121322	"N-(8-chloro-6-oxo-5H-phenanthridin-3-yl)acetamide"	"CC(=O)Nc1ccc2c(NC(=O)c3cc(Cl)ccc23)c1"	0	""	""	1	1	"274963"	NA
"121713"	121713	"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione"	"CN(C)C1=C(Sc2ccc(C)cc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	"275098"	NA
"121754"	121754	"N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]formamide"	"[O-][N+](=O)c1cc(\C=N\NC=O)ccc1Cl"	0	""	""	2	2	"6861592"	NA
"121771"	121771	""	"NC(=N)SCCN1CCCCC1"	0	NA	NA	1	1	"556484"	NA
"121848"	121848	"laudanosolinium, 2-methyl-, bromide (.+-.)-"	"C[N+]1(C)CCc2cc(O)c(O)cc2C1Cc3ccc(O)c(O)c3"	0	""	""	1	1	"5351989"	NA
"121868"	121868	"strychnine, 11-benzylidene"	"O=C1N2C3C4C5CC6N(CCC36c7ccccc27)CC5=CCOC4/C/1=C\c8ccccc8"	0	""	""	1	1	"5381711"	"25998703"
"121879"	121879	"N,N-bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride"	"Cc1cc(ccc1\C=N\c2ccc3ccccc3c2)N(CCCl)CCCl"	0	""	""	2	2	"24191452"	NA
"121934"	121934	"1-(1-adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea"	"Clc1cc(Cl)cc(\C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c1"	0	""	""	2	2	"9556459"	"32403182"
"122023"	122023	"valinomycin"	"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C"	0	NA	NA	7	2	"556534"	"2001958"
"122060"	122060	"ethanesulfonic acid, compd. with n-[[3-[2-chloro-4-(4,6-..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCNC(=O)Nc3cccc(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"275314"	"25312985"
"122131"	122131	"2196AB"	"Oc1ccc(C=O)c2cccnc12"	0	""	""	2	2	"275363"	"2598303"
"122226"	122226	"Laureatin"	"CCC(Br)C1CC(Br)C2CC(O2)C(C\C=C\C#C)O1"	0	""	""	1	1	"5458234"	NA
"122263"	122263	""	"CC(C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"556572"	"60610051"
"122291"	122291	"o-toluenesulfonyl fluoride, 5-[3-[3-[2-chloro-4-(4,6-dia..."	"Cc1ccc(NC(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)cc1S(=O)(=O)F"	0	""	""	1	1	"275433"	"25466777"
"122415"	122415	"dinatin"	"COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3"	0	""	""	1	1	"5281628"	"1447887"
"122621"	122621	""	"NCCSCCC(=O)O"	0	NA	NA	3	1	"556631"	"88512203"
"122656"	122656	"1-(Benzylsulfinyl)-2,4-dinitrobenzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)Cc2ccccc2"	0	""	""	1	1	"275684"	"35804376"
"122657"	122657	"1-Benzylsulfonyl-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cc2ccccc2"	0	""	""	3	3	"275685"	"969186"
"122716"	122716	"stendomycin salicylate"	NA	0	NA	NA	2	2	"416389"	NA
"122750"	122750	"geldanamicin"	"CO[C@@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	NA	NA	21	16	"416395"	"30562346"
"122758"	122758	"Isotretinoin"	"C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C"	0	"Ho|RXR|Differentiator"	"FDA approved"	5	2	"-1"	"302794"
"122759"	122759	"atav"	"C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C"	0	NA	NA	1	1	"416404"	"68268"
"122819"	122819	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5CO[C@H](OC5C(O)C4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	13	11	"-1"	"29767202"
"122822"	122822	"Bio7C8"	"CC(=O)Nc1ccc(\C=C\[N+](=O)[O-])cc1"	0	""	""	2	1	"5381768"	"20805521"
"122864"	122864	"styrene, 2,6-dichloro-.beta.-nitro-"	"[O-][N+](=O)\C=C\c1c(Cl)cccc1Cl"	0	""	""	3	2	"5369223"	"22482435"
"122870"	122870	"methasquin"	"Cc1c(CNc2ccc(cc2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	NA	NA	4	3	"556680"	"18921705"
"123032"	123032	"ethanesulfonic acid, compd. with p-[4-[p-(4,6-diamino-2,..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	"275908"	"21320569"
"123111"	123111	"t 53"	"COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C4C(Cn23)N4C"	0	""	""	2	2	"27590"	NA
"123115"	123115	"t 73"	"CCCNC1=C(C)C(=O)C2=C([C@H](COC(=O)N)[C@]3(OC)[C@@H]4N[C@@H]4CN23)C1=O"	0	NA	NA	6	5	"416678"	"16910795"
"123127"	123127	"Doxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2627	253	"-1"	"25316409"
"123138"	123138	"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(Cl)cc3)C(=O)O"	0	""	""	2	2	"275977"	"27446908"
"123139"	123139	"l-cysteine, s-[(4-methylphenyl)diphenylmethyl]- (9ci)"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"275978"	"61137686"
"123140"	123140	"L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccc(C)cc3"	0	""	""	2	2	"275979"	NA
"123147"	123147	"N-methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine"	"CN(C)N=Nc1c(C)n[nH]c1C(F)(F)F"	0	""	""	1	1	"275985"	"27117028"
"123383"	123383	"7-hydroxy-3,4'-dimethoxy flavone"	"COc1ccc(cc1OC)C2=CC(=O)c3ccc(O)cc3O2"	0	""	""	1	1	"5378518"	"33513369"
"123399"	123399	"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione"	"O=C1CCC2=C3C4CCCCC4C(=O)C5CCCC(OC2C1)C35"	0	""	""	2	2	"276142"	NA
"123461"	123461	"Benzenesulfonyl fluoride, 4-[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-, monoethanesulfonate (9CI)"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"276171"	"21320478"
"123463"	123463	"ethanesulfonic acid, compd. with 4-[3-[p-(4,6-diamino-2,..."	"Cc1cc(NC(=O)NCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	"276175"	"21322736"
"123465"	123465	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CNC(=O)Nc3ccc(c(Cl)c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"276179"	"20092084"
"123468"	123468	"ethanesulfonic acid, compd. with 5-[[3-[2-chloro-4-(4,6-..."	"Cc1ccc(cc1S(=O)(=O)F)C(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N"	0	""	""	1	1	"276185"	"25313079"
"123469"	123469	"ethanesulfonic acid, compd. with 4-[3-[2-[2-chloro-4-(4,..."	"Cc1cc(NC(=O)NCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	"276187"	"25313148"
"123491"	123491	"l-cysteine, s-[tris(4-methylphenyl)methyl]- (9ci)"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccc(C)cc2)c3ccc(C)cc3"	0	""	""	2	2	"420441"	"61137697"
"123493"	123493	"l-cysteine, s-[(4-fluorophenyl)diphenylmethyl]- (9ci)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(F)cc3)C(=O)O"	0	""	""	2	2	"420442"	"61137664"
"123511"	123511	"1,4-naphthalenedione, 2-(3,3-dibromo-2-propenyl)-3-hydro..."	"OC1=C(CC=C(Br)Br)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"276206"	"36417159"
"123516"	123516	"propylamine, 3-(2-chloro-4-nitrophenoxy)-, monohydrobromide"	"NCCCOc1ccc(cc1Cl)[N+](=O)[O-]"	0	""	""	1	1	"21144443"	"25313217"
"123528"	123528	"l-cysteine, s-[(4-methoxyphenyl)diphenylmethyl]-"	"COc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"420454"	NA
"123529"	123529	"l-cysteine, s-(2-naphthalenyldiphenylmethyl)- (9ci)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc4ccccc4c3)C(=O)O"	0	""	""	2	2	"420455"	"25840840"
"123794"	123794	"ZX-AT024064"	"Cc1ccc(O)c(c1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	"5708670"	"1775980"
"123814"	123814	"2,7-Dinitro-9h-fluoren-9-one oxime"	"ON=C1c2cc(ccc2c3ccc(cc13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"276243"	"23818259"
"123829"	123829	"2,2-dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide"	"COc1cc2Cc3cc(NC(=O)C(Cl)Cl)ccc3c2cc1NC(=O)C(Cl)Cl"	0	""	""	2	2	"276258"	NA
"123976"	123976	"neriifolin"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	5	2	"417054"	"466079"
"123977"	123977	"sarnovid"	"COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3C(O)CC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	"417055"	"547079"
"123978"	123978	"sarveroside"	"COC1CC(OC2CCC3(C)C(C2)CC4OC5CC(C6=CC(=O)OC6)C7(C)C(=O)C(O)C3C4C57O)OC(C)C1O"	0	""	""	2	2	"120725"	"545368"
"123979"	123979	"thevetin"	"CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O"	0	""	""	2	2	"5458241"	"27127793"
"123994"	123994	"4,5,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobe..."	"Oc1ccc(cc1c2ccccc2)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5ccc(O)c(c5)c6ccccc6"	0	""	""	1	1	"276306"	NA
"124147"	124147	"harringtonin"	"COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	NA	NA	2	1	"417172"	"26833852"
"124202"	124202	"Benzimidazo[1,2-c]quinazolin-6(12h)-one"	"O=C1Nc2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	"135431964"	"16367990"
"124232"	124232	"ethanesulfonic acid, compd. with p-[[4-[2-chloro-4-(4,6-..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCNC(=O)c3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"276432"	"25313182"
"124463"	124463	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	2	2	"-1"	"21679152"
"124499"	124499	"4-{[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-1-yl]oxy}naphthalene-1,2-dione"	"FC(F)(F)C(=CCOC1=CC(=O)C(=O)c2ccccc12)C(F)(F)F"	0	""	""	1	1	"276502"	NA
"124664"	124664	"Sodium;2-amino-3-tritylsulfanylpropanoic acid"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O"	0	""	""	1	1	"54598975"	NA
"124749"	124749	"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate"	"CC(=O)OC1=CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C#C)C2(C)CC1"	0	""	""	1	1	"276608"	NA
"124764"	124764	"S-Hexadecyl methanethiosulfonate"	"CCCCCCCCCCCCCCCCSS(=O)(=O)C"	0	""	""	4	4	"97458"	"7559479"
"124770"	124770	"S-Decyl p-toluenethiosulfonate"	"CCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1"	0	""	""	3	1	"97461"	"28519337"
"124784"	124784	"S-BENZYL P-TOLUENETHIOSULFONATE"	"Cc1ccc(cc1)S(=O)(=O)SCc2ccccc2"	0	""	""	2	2	"276623"	"16601028"
"124994"	124994	"naphthalen-1,4-dione, 3-butanoylamino-2-chloro-1,4-dihydro-"	"CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	2	2	"276685"	NA
"125034"	125034	"2,2'-Disulfanediyldiquinolin-8-ol"	"Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12"	0	""	""	1	1	"276707"	NA
"125066"	125066	"Bleomycin"	"C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC[S+](C)C"	0	"Db"	"FDA approved"	139	122	"-1"	"9041934"
"125176"	125176	"Mikamycin, B grade"	"CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C3CC(=O)CCN3C(=O)C(Cc4ccc(cc4)N(C)C)N(C)C(=O)C5CCCN5C1=O)c6ccccc6.CC(C)C7OC(=O)C8=CCCN8C(=O)c9coc(CC(=O)CC(O)\C=C(/C)\C=C/CNC(=O)\C=C\C7C)n9"	0	""	""	2	1	"11979458"	NA
"125201"	125201	"4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide"	"NC(=N)NC(=N)Nc1ccc(cc1)S(=O)(=O)N"	0	""	""	1	1	"276767"	"5626868"
"125347"	125347	"L06TDN89AB"	"Cc1nc(N)nc(N)c1CCCCc2ccccc2"	0	""	""	1	1	"276876"	"1597019"
"125348"	125348	"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCNC(=O)Nc3cccc(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"276877"	"25313159"
"125511"	125511	"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol"	"CCCCCCCCCCCCCNCC(C)O"	0	""	""	1	1	"277027"	NA
"125541"	125541	"3,7-Diamino-4,6-dibromo-2-methoxy-9H-fluoren-9-one"	"COc1cc2C(=O)c3cc(N)c(Br)cc3c2c(Br)c1N"	0	""	""	2	2	"277056"	NA
"125552"	125552	"8-Methoxy-3,9-dinitrophenanthridin-6(5h)-one"	"COc1cc2C(=O)Nc3cc(ccc3c2cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"277067"	NA
"125844"	125844	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid"	"Cc1cc(NC(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	"277241"	"25313068"
"125845"	125845	"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"277243"	NA
"125973"	125973	"Paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	64	42	"-1"	"33069624"
"126217"	126217	"l-cysteine, s-[(4-bromophenyl)diphenylmethyl]- (9ci)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(Br)cc3)C(=O)O"	0	""	""	2	2	"420691"	"61137675"
"126228"	126228	"ethanesulfonic acid, compd. with m-[4-[m-(4,6-diamino-2,..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3cccc(c3)S(=O)(=O)F)c2"	0	""	""	2	2	"277387"	NA
"126668"	126668	"Diphenoxyphosphoryl-phenyl-methanol"	"OC(c1ccccc1)P(=O)(Oc2ccccc2)Oc3ccccc3"	0	""	""	1	1	"277714"	"52364326"
"126710"	126710	"5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine"	"Cc1cc(OCc2nc(N)nc(N)c2c3ccc(Cl)c(Cl)c3)ccc1[N+](=O)[O-]"	0	""	""	2	2	"420759"	"21975826"
"126719"	126719	"3-(Acetyloxy)card-20(22)-enolide"	"CC(=O)OC1CCC2(C)C(CCC3C4CCC(C5=CC(=O)OC5)C4(C)CCC23)C1"	0	""	""	1	1	"277743"	"5672242"
"126727"	126727	"Desmethoxy-B-peltatin-A methyl ether"	"COc1ccc(cc1OC)C2C3C(Cc4c(OC)c5OCOc5cc24)OCC3=O"	0	NA	NA	2	2	"557208"	NA
"126728"	126728	"ver a"	"C[C@@H]1CCOC(=O)\C=C\C=C/C(=O)O[C@@H]2C[C@@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)C1O)[C@@]2(C)[C@]35CO5.[ZH]"	0	NA	NA	12	3	"301187"	"3148092"
"126765"	126765	"Holacanthone"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](OC(=O)C)[C@@H]14"	0	NA	NA	7	6	"418675"	"84062602"
"126771"	126771	"Dichloroallyl lawsone"	"OC1=C(CC=C(Cl)Cl)C(=O)c2ccccc2C1=O"	0	"Ds|Rs"	""	13	11	"277767"	"36417160"
"126849"	126849	"3-Deazauridine"	"OCC1OC(C(O)C1O)N2C=CC(=O)CC2=O"	0	NA	NA	11	11	"418741"	"39935494"
"126933"	126933	"4-methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)NNC(C[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	"277880"	NA
"127128"	127128	"4-Amino-1,3-dibromophenanthridin-6(5H)-one"	"Nc1c(Br)cc(Br)c2c1NC(=O)c3ccccc23"	0	""	""	2	2	"278033"	NA
"127130"	127130	"6-(1,3-Benzodioxol-5-ylmethyl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione"	"O=C1N(Cc2ccc3OCOc3c2)C(=O)c4ccccc4c5ccccc15"	0	""	""	2	1	"278035"	"27022180"
"127140"	127140	"3-Amino-2,8-dichlorophenanthridin-6(5h)-one"	"Nc1cc2NC(=O)c3cc(Cl)ccc3c2cc1Cl"	0	""	""	1	1	"278044"	NA
"127157"	127157	"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccc(cc3Cl)S(=O)(=O)F)c2"	0	""	""	2	2	"278058"	"31368577"
"127159"	127159	"ethanesulfonic acid, compd. with p-[4-[2-chloro-4-(4,6-d..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"278062"	"31368566"
"127328"	127328	"guanidine, 1-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro..."	"CC(C)N(CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(c2)C(F)(F)F)n1)C(C)C"	0	""	""	2	1	"49791547"	"51387689"
"127442"	127442	"Flavacol"	"CC(C)CC1=CN=C(CC(C)C)C(=O)N1"	0	""	""	1	1	"278143"	"495987"
"127444"	127444	"Aspergillic acid, dehydrodeoxy-"	"C\C=C(\C)/C1=CN=C(CC(C)C)C(=O)N1"	0	NA	NA	1	1	"419113"	NA
"127445"	127445	"aspergillic acid, hydroxy"	"CCC(C)(O)C1=CN=C(CC(C)C)C(=O)N1O"	0	""	""	1	1	"73679"	"4562394"
"127471"	127471	"4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile"	"Nc1nc(N)c(c(COc2ccc(cc2)C#N)n1)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"420798"	"19296550"
"127571"	127571	""	"O[N+](=O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1"	0	NA	NA	1	1	"557291"	"17994159"
"127622"	127622	"Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate"	"COC(=O)c1cc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc(c1)C(=O)OC"	0	""	""	1	1	"3438641"	"25351819"
"127627"	127627	"1-{[3-(Butylsulfonyl)-4-methylphenyl]amino}-4-hydroxyanthracene-9,10-dione"	"CCCCS(=O)(=O)c1cc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)ccc1C"	0	""	""	1	1	"278252"	NA
"127680"	127680	"n-acetylsulfanilyl chloride"	"COC(=O)c1cc2ccccc2c3c4OCOc4ccc13"	0	""	""	1	1	"278267"	"38288469"
"127687"	127687	"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid"	"OC(=O)c1cc2ccccc2c3c4OCOc4ccc13"	0	""	""	1	1	"278273"	"38288447"
"127712"	127712	"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione"	"CC1CCCc2c(CC3CC(=O)NC(=O)C3)nc(N)nc12"	0	""	""	1	1	"278295"	"28360614"
"127716"	127716	"Decitabine"	"NC1=NC(=O)N(C=N1)C2CC(O)C(CO)O2"	0	"AM|DNMT"	"FDA approved"	11	4	"-1"	"2353335"
"127752"	127752	"6,6-dimethyl-1-(3-phenethylphenyl)-1,6-dihydro-1,3,5-tri..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCc3ccccc3)c2"	0	NA	NA	2	2	"557305"	"2009623"
"127753"	127753	"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-ph..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccccc3)cc2"	0	NA	NA	2	2	"557306"	"15986240"
"127754"	127754	"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-(4..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCOc3ccccc3)c2"	0	NA	NA	2	2	"557307"	"17399165"
"127755"	127755	"dihydrotriazine derivative"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3Cl)S(=O)(=O)F)c(Cl)c2"	0	""	""	8	7	"160202"	"31368486"
"127763"	127763	"propanamide, 2,3-dichloro-n-(9,10-dihydro-9,10-dioxo-1-a..."	"ClCC(Cl)C(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"73490"	"63915902"
"127923"	127923	"wr 09792"	"NC(=N)N\N=C(/c1ccc(F)cc1)\c2ccc(cc2)C(F)(F)F"	0	NA	NA	2	2	"557331"	"19982877"
"128177"	128177	"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione"	"[O-][N+](=O)c1ccc(cc1)C2OC(=O)CC(=O)O2"	0	""	""	2	1	"278502"	"58413482"
"128184"	128184	"1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccccc3)c(Cl)c2"	0	""	""	2	2	"24191814"	"15986262"
"128186"	128186	"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)cc3S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"278507"	"31368544"
"128187"	128187	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCOc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"278509"	NA
"128206"	128206	"Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate"	"COC(=O)C(Br)(C(Br)C(Br)C(Br)c1ccccc1)C(=O)OC"	0	""	""	2	1	"278524"	NA
"128280"	128280	"Aracytidine 5'-O-phenylphosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)Oc3ccccc3)C(O)C2O"	0	""	""	2	2	"278572"	"17489611"
"128305"	128305	"kampferol-3,4'-dimethyl ether"	"COc1ccc(cc1OC)C2=CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	1	1	"5351234"	"4712123"
"128403"	128403	"4,4'-methylenedi-2,6-xylenol"	"Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O"	0	""	""	1	1	"79345"	"5384214"
"128571"	128571	"Benzenesulfonyl fluoride, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate (9CI)"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)c(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	"278692"	"31368511"
"128578"	128578	"methanesulfonamide, n-[4-[(3-nitro-9-acridinyl)amino]phe..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1"	0	""	""	2	2	"12999180"	"53251040"
"128579"	128579	"methanesulfonamide, n-[4-[(3-amino-9-acridinyl)amino]phe..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(N)ccc24)cc1"	0	""	""	2	2	"12999264"	NA
"128580"	128580	"3-((2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4 -l)met..."	"Nc1nc(N)c(c(COc2cccc(c2)C#N)n1)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"420881"	"25288146"
"128635"	128635	"1-Chloro-2-nitrophenanthridin-6(5h)-one"	"[O-][N+](=O)c1ccc2NC(=O)c3ccccc3c2c1Cl"	0	""	""	1	1	"278740"	NA
"128687"	128687	"6h-furo[2',3',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6..."	"OCC1OC2C(OC3=NC(=N)C=CN23)C1OP(=O)(O)O"	0	NA	NA	2	2	"419896"	"25878335"
"128832"	128832	"2-Ethyl-3-methyl-1,4-dihydroquinoxaline-5,8-dione"	"CCc1nc2c(O)ccc(O)c2nc1C"	0	""	""	2	1	"135429854"	NA
"128877"	128877	"[1]Benzothieno[3,2-h]isoquinoline"	"c1ccc2c(c1)sc3c2ccc4ccncc34"	0	""	""	1	1	"278923"	"23985833"
"128887"	128887	"benzenebutanamide, n-(phenylmethyl)-4-bis(2-chloro- ethy..."	"ClCCN(CCCl)c1ccc(CCCC(=O)NCc2ccccc2)cc1"	0	""	""	1	1	"278929"	NA
"128895"	128895	"Neuro_000063"	"Cc1c2CCN=C(c3ccc(F)cc3)c2cc4c5ccccc5[nH]c14"	0	""	""	6	2	"278937"	NA
"128981"	128981	"N-[3-(4-chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(Sc2ccc(Cl)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"279002"	NA
"129185"	129185	"melbex"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O"	0	""	"FDA approved"	2	2	"-1"	"24280931"
"129220"	129220	"cyclo-c"	"OCC1OC2C(OC3=NC(=N)C=CN23)C1O"	0	NA	NA	2	2	"420222"	"10212289"
"129266"	129266	"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione"	"COc1ccc(cc1)N2CN(C)CSC2=S"	0	""	""	1	1	"279093"	"92491195"
"129408"	129408	"terephthalodihydroxamic acid"	"ONC(=O)c1ccc(cc1)C(=O)NO"	0	""	""	1	1	"88356"	"20073807"
"129409"	129409	"2,4-pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- (..."	"Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1"	0	""	""	1	1	"26341"	"13932406"
"129414"	129414	"emetine, dehydro-"	"CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1"	0	""	""	1	1	"3084192"	"14358431"
"129518"	129518	"cyclopyrethrosin"	"CC(=O)O[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@H](O)CCC(=C)[C@H]13)OC(=O)C2=C"	0	""	""	2	2	"279214"	"22553668"
"129585"	129585	"2-Phenylpyrazino[2,3-b]quinoxaline"	"c1ccc(cc1)c2cnc3nc4ccccc4nc3n2"	0	""	""	1	1	"279245"	"80102438"
"129757"	129757	"2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide"	"Brc1cccc[n+]1c2ccc3cc(ccc3c2)[n+]4ccccc4Br"	0	""	""	1	1	"54608313"	NA
"129790"	129790	""	"CC(CN1CCN(CC(C)Nc2ccnc3cc(Cl)ccc23)CC1)Nc4ccnc5cc(Cl)ccc45"	0	NA	NA	2	2	"420515"	"10547407"
"129794"	129794	"ethanesulfonic acid, compd. with 2-chloro-5-[4-[m-(4,6-d..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccc(Cl)c(c3)S(=O)(=O)F)c2"	0	""	""	1	1	"279319"	"31368599"
"129922"	129922	"Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate"	"COC(=O)C(CO)NC(=O)C(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4"	0	""	""	2	1	"279421"	"23465056"
"129925"	129925	"2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid"	"CC(C)CC(Nc1c(O)ccc2ccccc12)C(=O)O"	0	""	""	1	1	"279422"	NA
"129943"	129943	"Razoxane"	"CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	10	3	"30623"	"21416875"
"129957"	129957	""	"ClC1=CC2=Nc3ccccc3SC2=C(Cl)C1=O"	0	NA	NA	1	1	"420640"	"21004900"
"130227"	130227	"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccc(Cl)cc3S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"279528"	"31368419"
"130279"	130279	"8-azainosine"	"OCC1OC(C(O)C1O)n2nnc3C(=O)N=CNc23"	0	NA	NA	2	2	"420768"	"4968687"
"130785"	130785	"8-Aminoquinoline-5,6-dione"	"NC1=CC(=O)C(=O)c2cccnc12"	0	""	""	1	1	"279596"	"49797491"
"130789"	130789	"2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid"	"CN(C)CC1CCCCCC(Br)C1=O"	0	""	""	2	2	"279600"	NA
"130796"	130796	"7,7'-methylenebis(5-nitroquinolin-8-ol)"	"Oc1c(Cc2cc(c3cccnc3c2O)[N+](=O)[O-])cc(c4cccnc14)[N+](=O)[O-]"	0	""	""	2	2	"279605"	"76289300"
"130801"	130801	"2-{[(6-methoxyquinolin-8-yl)amino]methyl}phenol"	"COc1cc(NCc2ccccc2O)c3ncccc3c1"	0	""	""	1	1	"279609"	NA
"130813"	130813	"4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpipe..."	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCN(C)CC5)c4)c2c1"	0	NA	NA	2	2	"557695"	NA
"130830"	130830	"5-[(Benzylamino)methyl]quinolin-8-ol"	"Oc1ccc(CNCc2ccccc2)c3cccnc13"	0	""	""	2	2	"279623"	NA
"130862"	130862	"(Z)-3-(2-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile"	"COc1ccc(cc1)\C(=C\c2ccccc2OC)\C#N"	0	""	""	1	1	"5793739"	NA
"130876"	130876	""	"CC(=O)Nc1cc(CN2CCCCC2)c(O)c3ncccc13"	0	NA	NA	1	1	"420897"	NA
"131020"	131020	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCc3ccc(c(Cl)c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	"279748"	"31000029"
"131039"	131039	"5-methyl-1-(trifluoromethyl)-2H-pyrido[4,3-b]carbazole"	"Cc1c2ccnc(c2cc3c4ccccc4[nH]c13)C(F)(F)F"	0	""	""	5	1	"279769"	NA
"131053"	131053	"7-ocpz"	"CN(C)CCCN1c2ccc(O)cc2Sc3ccc(Cl)cc13"	0	""	""	1	1	"16414"	"2095627"
"131064"	131064	"3,3-dibesylpropionic acid tert-butyl ester"	"CC(C)(C)OC(=O)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	"279782"	"39837291"
"131184"	131184	"N-[2-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)c2cccnc2)C(F)(F)F"	0	""	""	1	1	"279886"	NA
"131233"	131233	"cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, dihydro..."	"CN(C)CC1CCC(CN(C)C)C1=O"	0	NA	NA	3	3	"557781"	"6333228"
"131238"	131238	"[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine"	"Cc1n[nH]c(c1N=NN2CCOCC2)C(F)(F)F"	0	""	""	2	1	"279924"	"27117062"
"131250"	131250	"methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate"	"COC(=O)c1n[nH]c(C)c1N=NN(C)CCC#N"	0	""	""	1	1	"279936"	NA
"131257"	131257	"(4Z)-N-[(2-chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide"	"CN(C)N=Nc1c(C)[nH]nc1C(=O)N\N=C\c2ccccc2Cl"	0	""	""	2	2	"135545659"	NA
"131258"	131258	"4-(dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide"	"CN(C)N=Nc1c(C)[nH]nc1C(=O)N\N=C\c2cccs2"	0	""	""	1	1	"135545660"	NA
"131261"	131261	"4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide"	"CC(C)c1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	"279947"	NA
"131262"	131262	"4-(dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide"	"CCCc1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	"279948"	NA
"131263"	131263	"4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide"	"CCc1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	"279949"	NA
"131513"	131513	"antineoplastic-131513"	"Cc1ccc(C[As+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1"	0	""	""	2	2	"10672721"	"60430800"
"131530"	131530	"(2E)-2-hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone"	"O\N=C\C(=O)c1c([nH]c(c2ccccc2)c1c3ccccc3)c4ccccc4"	0	""	""	1	1	"9614301"	NA
"131547"	131547	"marckine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5c4[nH]c6ccc(O)cc56"	0	""	""	8	6	"72341"	"2632293"
"131734"	131734	"4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol"	"COc1ccc2c(Cc3c4ccccc4cc5ccccc35)cncc2c1O"	0	""	""	2	2	"135431975"	NA
"131888"	131888	"1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole"	"Cn1c(\C=C\[N+](=O)[O-])cc2ccccc12"	0	""	""	1	1	"5382055"	"7171848"
"131919"	131919	"2,7-dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione"	"ClC1=Cc2nc(Cl)cn2C(=S)N1"	0	""	""	1	1	"3317089"	"27420366"
"131943"	131943	"benzamide, 4-nitro-n-[(phenylamino)thioxomethyl]- (9ci)"	"[O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc2ccccc2"	0	""	""	1	1	"763768"	"56437980"
"131977"	131977	"carbanilide, n-benzylthio- (8ci)"	"S=C(Nc1ccccc1)N(Cc2ccccc2)c3ccccc3"	0	""	""	1	1	"3933957"	"3053392"
"132095"	132095	"Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate"	"COC(=O)c1ccc(NC(=O)Oc2ccc(cc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	"280453"	"17272990"
"132125"	132125	"Indophenol blue"	"CN(C)c1ccc(cc1)\N=C\2/C=CC(=O)c3ccccc23"	0	""	""	1	1	"67235"	"132310"
"132230"	132230	"(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium"	"COc1ccc2c(Cc3cc(ccc23)N=[N+]([O-])c4ccc5c(Cc6cc(OC)ccc56)c4)c1"	0	""	""	1	1	"280491"	"26319802"
"132275"	132275	"ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diam..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2"	0	NA	NA	2	2	"421887"	NA
"132276"	132276	"ethanesulfonic acid, compd. with 1-[3-chloro-4-(2-phenyl..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccccc3)c(Cl)c2"	0	""	""	2	2	"280520"	NA
"132277"	132277	"ethanesulfonic acid, compd. with 1,6-dihydro-6,6-dimethy..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccccc3)c2"	0	NA	NA	2	2	"421889"	NA
"132279"	132279	"4-[6-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCCCc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	"280526"	"31368475"
"132313"	132313	"Dianhydrogalactitol"	"OC(C(O)C1CO1)C2CO2"	0	"A7"	""	13	9	"-1"	"23261203"
"132483"	132483	"Aminopterin Derivative"	"Cc1c(CNc2ccc(Cl)c(c2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	"Df"	""	4	3	"421299"	NA
"132492"	132492	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione"	"COC1=C(Br)C(=O)c2nc(C)ccc2C1=O"	0	""	""	2	2	"280615"	"61895372"
"132493"	132493	"5,8-quinolinedione, 7-amino-6-methoxy-2-methyl-"	"COC1=C(N)C(=O)c2nc(C)ccc2C1=O"	0	""	""	2	2	"280616"	"61895383"
"132791"	132791	"Glaucarubinone"	"CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	9	7	"422071"	"1259865"
"132868"	132868	"(6E)-6-[(8-chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one"	"Clc1cccc2c(\C=C/3\CC4CCN3CC4=O)ccnc12"	0	""	""	1	1	"6509056"	NA
"133071"	133071	"ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenox..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCOc3ccccc3)c(Cl)c2"	0	""	""	2	2	"280859"	NA
"133072"	133072	"ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dime..."	"Cc1cccc(NC(=O)CCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)c1"	0	NA	NA	2	2	"422284"	NA
"133100"	133100	"rifocin"	"[Na+].COC1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)C(O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)cc(O)c4c3C2=O"	0	NA	NA	10	8	"558026"	"15105927"
"133115"	133115	"3-deazacytidine"	"NC1=CC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	NA	NA	1	1	"422321"	"28307199"
"133118"	133118	"2h-1,2,3-triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-d-ri..."	"Nc1ncnc2nn(nc12)C3OC(CO)C(O)C3O"	0	""	""	2	2	"280898"	"28279621"
"133119"	133119	"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	"CN(C)c1ncnc2c1nnn2C3OC(CO)C(O)C3O"	0	""	""	2	2	"280899"	"38874441"
"133479"	133479	"PNKOPSUYMMDTKJ-UHFFFAOYSA-N"	"CC(=O)OCc1cc2ccccc2nc1C(Br)(Br)Br"	0	""	""	1	1	"281015"	NA
"133497"	133497	""	"Cc1cc(C)c(C(=O)OC(C(N2CCOCC2)c3ccccc3)c4ccccc4)c(C)c1"	0	NA	NA	1	1	"422489"	NA
"133729"	133729	"pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1..."	"CN(CCO)N=Nc1n[nH]cc1C(=O)N"	0	""	""	2	1	"135545670"	"34039651"
"133757"	133757	"2-[(3,3-Dichloroprop-2-en-1-yl)oxy]naphthalene-1,4-dione"	"ClC(=CCOC1=CC(=O)c2ccccc2C1=O)Cl"	0	""	""	2	2	"281172"	NA
"133896"	133896	"Compound 133896"	"[O-][N+](=O)c1cc2C(=O)c3ccccc3c2cc1[N+](=O)[O-]"	0	""	""	2	2	"281255"	NA
"134033"	134033	"Aminopterin Derivative"	"Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)c(Cl)c3)ccc2n1"	0	"Df"	""	4	3	"421455"	NA
"134134"	134134	"3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid"	"OC(=O)c1cc2ccccc2c(N=Nc3ccc(cc3)S(=O)(=O)Nc4ccccn4)c1O"	0	""	""	1	1	"421463"	NA
"134138"	134138	"3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid"	"OC(=O)c1cc2ccccc2c(N=Nc3ccc(cc3)S(=O)(=O)O)c1O"	0	""	""	1	1	"281356"	"93327141"
"134148"	134148	"3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid"	"NS(=O)(=O)c1ccc(cc1)N=Nc2cc3ccccc3c(C(=O)O)c2O"	0	""	""	2	2	"281365"	NA
"134228"	134228	"acetic acid, thio-,s-[.alpha.-(nitromethyl)benzyl] ester"	"CC(=O)SC(C[N+](=O)[O-])c1ccccc1"	0	""	""	2	2	"281443"	"29651818"
"134244"	134244	"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	"OC(=O)c1cc(nc2ccccc12)c3ccc4cc5OCOc5cc4c3"	0	""	""	1	1	"281451"	NA
"134250"	134250	"alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, l-"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc4OCOc4c3)C(=O)O"	0	NA	NA	2	2	"422962"	"35959945"
"134390"	134390	"Ptq-mtsz"	"NC(=S)N\N=C\1/C(=O)c2ccccc2c3ccccc13"	0	""	""	2	2	"929712"	"59851251"
"134459"	134459	"acetamide, n-(2-mercaptoethyl)-, benzoate (6ci, 7ci)"	"CC(=O)NCCSC(=O)c1ccccc1"	0	""	""	2	2	"281604"	"91133152"
"134544"	134544	"(3Z)-5-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3cc(OC)c(OC)c(OC)c3)\c2c1"	0	""	""	2	2	"6279389"	NA
"134664"	134664	"CAA102427"	"COc1ccc(\C=C(\C#N)/C(=O)N)c(OC)c1"	0	""	""	1	1	"5458263"	NA
"134672"	134672	"CAA103213"	"COc1cc(\C=C(\C#N)/C(=O)N)ccc1O"	0	""	""	2	1	"720870"	"91138328"
"134679"	134679	"Carboqone; Carbazilquinone"	"COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C"	0	"A7"	""	3	3	"2569"	"24279912"
"134723"	134723	"k 31"	"CNC(=O)OCC1C2=C(N3CC4C(N4C)C13OC)C(=O)C(=C(N)C2=O)C"	0	""	""	1	1	"281830"	NA
"134725"	134725	"k 33"	"CCNC(=O)OCC1C2=C(N3CC4C(N4C)C13OC)C(=O)C(=C(N)C2=O)C"	0	""	""	2	2	"281832"	NA
"134727"	134727	"Mitomycin"	"COC12C(COC(=O)NCCO)C3=C(N1CC4NC24)C(=O)C(=C(N)C3=O)C"	0	"A2|AlkAg"	"FDA approved"	2	2	"281834"	NA
"134754"	134754	""	"CCC1=C(CC2NCCc3ccccc23)CC4N(CCc5cc(OC)c(OC)cc45)C1"	0	NA	NA	3	1	"558278"	NA
"134755"	134755	""	"CCC1=C(CC2NCCc3cc(OC)c(OC)cc23)CC4N(CCc5ccccc45)C1"	0	NA	NA	1	1	"558279"	NA
"134981"	134981	"2,3-Dibromo-2,3-diphenylcyclopropanecarboxylic acid"	"OC(=O)C1C(Br)(c2ccccc2)C1(Br)c3ccccc3"	0	""	""	1	1	"281957"	NA
"135015"	135015	"isariin"	"CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1"	0	""	""	2	2	"73424"	"10409855"
"135021"	135021	"eupacunoxin"	"C[C@H]1O[C@@]1(C)C(=O)O[C@@H]2\C=C(\C)/[C@H](O)C[C@H](OC(=O)C)\C(=C/[C@H]3OC(=O)C(=C)[C@H]23)\C.[ZH].[ZH]"	0	NA	NA	1	1	"423564"	"33853882"
"135036"	135036	"Scilliglaucosidin"	"CC12CCC3C(CCC4=CC(O)CCC34C=O)C1(O)CCC2C5=COC(=O)C=C5"	0	NA	NA	10	3	"423576"	"510623"
"135037"	135037	"Jatrophon"	"C[C@@H]1C[C@]23OC(=C(C)C2=O)CC(C)(C)\C=C\C(=O)\C(=C/C3=C1)\C"	0	NA	NA	3	3	"423577"	"29444039"
"135048"	135048	"siccanin"	"Cc1cc(O)c2C3OCC45CCCC(C)(C)C4CCC(C)(Oc2c1)C35"	0	NA	NA	1	1	"423586"	"22733604"
"135070"	135070	"Hypopistephanine"	"COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(CC6=NCCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	NA	NA	1	1	"423604"	"33116415"
"135073"	135073	"withacnistin"	"C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23COC(=O)C"	0	""	""	9	4	"54606507"	"21902998"
"135077"	135077	"bersaldegenin 1,3,5-orthoacetate"	"CC12OC3CC(O1)C4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(C3)O2)C7=COC(=O)C=C7"	0	""	""	1	1	"282021"	"23044668"
"135168"	135168	"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]"	"[O-][N+](=O)C1C(c2ccccc2)C13c4ccccc4c5ccccc35"	0	""	""	2	2	"282082"	"34166911"
"135371"	135371	"2-phenyl-3-(1-piperidyl)-4-[?]yl-thietane 1,1-dioxide"	"O=S1(=O)C(C2CC3c4ccccc4C2c5ccccc35)C(C1c6ccccc6)N7CCCCC7"	0	""	""	2	2	"421543"	NA
"135687"	135687	"Acetylmarinobufogenin"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C3CCC2(O)C1)C6=COC(=O)C=C6"	0	NA	NA	5	4	"423918"	"4029689"
"135688"	135688	""	"CC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6)C1"	0	NA	NA	5	4	"423919"	"4029645"
"135734"	135734	"Butyrophenone,4-(diphenylphosphinyl)-2-methoxy-2-phenyl- (8CI)"	"COC(CCP(=O)(c1ccccc1)c2ccccc2)(C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"282323"	"22950512"
"135757"	135757	"methanesulfonamide, n-[4-[(5-methyl-3-nitro-9-acridinyl)..."	"Cc1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	2	2	"12323850"	"59748548"
"135758"	135758	"Piperazinedione"	"Cl[C@H]1CC[C@@H](NC1)[C@@H]2NC(=O)[C@@H](NC2=O)[C@H]3CC[C@H](Cl)CN3"	0	"A7"	""	10	7	"-1"	"41109802"
"135854"	135854	"N-[(Z)-1H-indol-3-ylmethylideneamino]-2-nitroaniline"	"[O-][N+](=O)c1ccccc1N\N=C\c2c[nH]c3ccccc23"	0	""	""	2	2	"135545695"	"28558658"
"135880"	135880	"3,4,5,6-Tetramethylphenanthrene-9,10-dione"	"Cc1ccc2C(=O)C(=O)c3ccc(C)c(C)c3c2c1C"	0	""	""	2	2	"282415"	"17825400"
"135925"	135925	"3,4-dichlorocoumarin"	"ClC1=C(Cl)c2ccccc2OC1=O"	0	""	""	1	1	"282447"	"5117566"
"135929"	135929	"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one"	"Cc1cc2OC(=O)C(=C(Cl)c2c(C)c1Cl)Cl"	0	""	""	1	1	"282451"	"5250419"
"135962"	135962	"P-Ara-C"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	4	3	"424124"	"31088069"
"135975"	135975	"3h-1,2-dithiole, tetrachloro-"	"ClC1=C(Cl)C(Cl)(Cl)SS1"	0	""	""	2	1	"55894"	"88917026"
"136036"	136036	"pentalenolactone"	"CC1C2C=C(C3COC(=O)C4(CO4)C23C=C1C)C(=O)O"	0	NA	NA	4	3	"424184"	NA
"136037"	136037	"AT 116, benzylamine salt"	"CC1C2C=C(C3COC(=O)C4(CO4)C23C=C1C)C(=O)O.NCc5ccccc5"	0	NA	NA	4	3	"424185"	NA
"136044"	136044	"rhodomycin a"	"CC[C@@]1(O)C[C@H](OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4c(O)c3[C@H]1OC6CC(C(O)C(C)O6)N(C)C"	0	""	""	4	2	"5351236"	"23666504"
"136268"	136268	"N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide"	"COc1ccccc1N(C(=O)C)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	1	"282598"	NA
"136274"	136274	"2,6-Dichlorophenanthridine"	"Clc1ccc2nc(Cl)c3ccccc3c2c1"	0	""	""	1	1	"282601"	"38052812"
"136468"	136468	"Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid"	"SC(=S)NCC1CCC(CNC(=S)S)CC1"	0	""	""	1	1	"54600120"	NA
"136469"	136469	"BIDD:GT0577"	"OC(=O)c1cc(nc2cc3ccccc3cc12)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"282667"	NA
"136513"	136513	"Dibenzoylfuran deriv"	"COc1cc(cc(OC)c1OC)C(=O)c2cocc2C(=O)c3ccc4OCOc4c3"	0	""	""	7	4	"282697"	"22600288"
"136592"	136592	"Dichloroallyl lawsone, sodium salt"	"OC1=C(CC=C(Cl)Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"54610148"	NA
"136704"	136704	"xanthatin"	"CC1CC2OC(=O)C(=C)C2CC=C1\C=C\C(=O)C"	0	""	""	1	1	"5916519"	NA
"136705"	136705	"Xanthinin"	"CC1CC2OC(=O)C(=C)C2CC=C1C(CC(=O)C)OC(=O)C"	0	""	""	2	2	"160533"	NA
"136718"	136718	"vermeerin"	"C[C@@H]1C[C@@H]2OC(=O)C(=C)C2C[C@]3(C)COC(=O)C[C@@H]13"	0	NA	NA	1	1	"424493"	"16983236"
"136720"	136720	"hymenolide"	"CCOC1OC(O)CC2C(C)CC3OC(=O)C(=C)C3CC12C"	0	""	""	2	2	"282785"	NA
"136722"	136722	"paucin"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1[C@H](CC3=O)OC4OC(COC(=O)C)C(O)C(O)C4O"	0	""	""	2	2	"282787"	NA
"136768"	136768	"Cuprimyxin"	"COc1cccc2c1[n+]([O-])c3cccc4O[Cu]5(Oc6cccc7c6n(=O5)c8cccc(OC)c8[n+]7[O-])O=n2c34"	0	""	""	2	2	"457682"	"28069650"
"136955"	136955	"Terameprocol"	"COc1ccc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)cc1OC"	0	""	""	1	1	"97616"	"5701826"
"137044"	137044	""	"CSc1[s+]sc(SC)c1c2ccccc2"	0	NA	NA	1	1	"558473"	"18260429"
"137049"	137049	"Cyto8B7"	"COc1ccc(CCN2C(=O)C=CC2=O)cc1OC"	0	""	""	2	1	"282938"	"37597196"
"137055"	137055	"1-Cyclododecyl-1h-pyrrole-2,5-dione"	"O=C1C=CC(=O)N1C2CCCCCCCCCCC2"	0	""	""	2	2	"282944"	"53629188"
"137443"	137443	"kalamycin"	"CC1OC2CC(=O)OC2C3=C1C(=O)c4c(O)cccc4C3=O"	0	NA	NA	2	2	"424892"	"11048150"
"137633"	137633	"2-bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline"	"Cc1nc(N)sc1N=Nc2ccccc2Br"	0	""	""	3	1	"283260"	"33174935"
"137635"	137635	"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	"Cc1nc(N)sc1N=Nc2cc(Cl)c(cc2Cl)[N+](=O)[O-]"	0	""	""	1	1	"283262"	"33175121"
"137679"	137679	"6-selenoguanosine"	"NC1=NC(=[Se])c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	1	1	"425064"	"29411743"
"137765"	137765	"ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-d..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CC(=O)Nc3ccccc3)c2"	0	NA	NA	1	1	"425065"	NA
"138144"	138144	"2-(9-Octadecenyl)-2-imidazoline-1-ethanol"	"CCCCCCCC\C=C\CCCCCCCCC1=NCCN1CCO"	0	""	""	1	1	"5382359"	"16058198"
"138320"	138320	"Dianemycin"	"COC1CCC(OC2CC(OC3(OC(CC3C)C4OC(O)(CO)C(C)CC4C)C2C)C5(C)CCC6(CC(O)C(C)C(O6)C(C)\C=C(/C)\C(=O)C(C)CC(C)C(=O)O)O5)OC1C"	0	""	""	2	2	"5475287"	"35865339"
"138333"	138333	"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate"	"CC(=O)OCC1C(COC1=O)C(=O)N2Cc3cc4ccccc4nc3C2"	0	""	""	4	4	"283490"	NA
"138389"	138389	"4-(Chloroacetyl)-6,7-dimethyl-3,4-dihydroquinoxalin-2(1h)-one"	"Cc1cc2NC(=O)CN(C(=O)CCl)c2cc1C"	0	""	""	1	1	"283529"	NA
"138425"	138425	"Kinamycin C"	"CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@](C)(O)[C@H](OC(=O)C)C2=C1C3=C(C(=O)c4c(O)cccc4C3=O)C2=[N+]=[N-]"	0	NA	NA	4	2	"425406"	"35303083"
"138429"	138429	"cytosine, 1-.beta.-d-arabinofuranosyl-, 2',3',5'-tributy..."	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)N2C=CC(=NC2=O)N"	0	""	""	2	2	"283562"	"34409159"
"138756"	138756	"2-((2,4,7-trichloro-9H-fluoren-9-yl)amino)ethanol"	"OCCNC1c2cc(Cl)ccc2c3c(Cl)cc(Cl)cc13"	0	""	""	1	1	"283705"	NA
"138780"	138780	"insariotoxin"	"CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](OC3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@@]34CO4)C=C1C"	0	NA	NA	2	1	"425612"	"21259201"
"138783"	138783	"Bendamustine"	"Cn1c(CCCC(=O)O)nc2cc(ccc12)N(CCCl)CCCl"	0	"A2|A6|AlkAg"	"FDA approved"	3	1	"77082"	"3543757"
"139021"	139021	"1-(2-thiazoylazo)-2-naphthol"	"Oc1ccc2ccccc2c1N=Nc3nccs3"	0	""	""	2	2	"93572"	"1147564"
"139049"	139049	"phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoeth..."	"NCCSC1(O)C(=O)c2ccccc2c3ccccc13"	0	""	""	2	1	"212513"	"24394556"
"139105"	139105	"Soluble Baker's Antifol"	"CN(C)C(=O)c1cccc(COc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)c1"	0	"Ds|Rs"	""	14	12	"38777"	"41191042"
"139109"	139109	"(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide"	"Cc1cccc(NC(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])c1"	0	""	""	2	1	"5351237"	"31191216"
"139235"	139235	"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)"	"O=C(c1ccccc1)c2nnc(nn2)C(=O)c3ccccc3"	0	""	""	1	1	"283962"	"14141629"
"139240"	139240	"3-Benzyl-5-phenyl-1H-pyrazole"	"C(c1ccccc1)c2cc([nH]n2)c3ccccc3"	0	""	""	1	1	"283965"	"21917997"
"139346"	139346	"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione"	"CC1=C(N2CC2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"283978"	"49861167"
"139484"	139484	"methanesulfonamide, n-[3-methoxy-4-[(5-methyl-3-nitro-9-..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccc(cc3nc4c(C)cccc24)[N+](=O)[O-]"	0	""	""	2	2	"12323851"	"59987972"
"139490"	139490	"Emofolin Sodium"	"CN1C(CCNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)CNc3nc(N)nc(O)c13"	0	NA	NA	9	6	"558783"	"52386422"
"139727"	139727	"(Z)-3-(2-methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one"	"COc1ccccc1\C=C\C(=O)C2COCN2"	0	""	""	1	1	"54606380"	NA
"139948"	139948	"1,3-Dinitro-10H-phenoxazine"	"[O-][N+](=O)c1cc2Oc3ccccc3Nc2c(c1)[N+](=O)[O-]"	0	""	""	1	1	"3824594"	"26103322"
"140025"	140025	"3'-fluorothymidine"	"CC1=CN(C2CC(F)C(CO)O2)C(=O)NC1=O"	0	NA	NA	1	1	"426229"	"25526936"
"140364"	140364	"WR 122455"	"OC(C1CCCCN1)c2cc3ccc(cc3c4cc(ccc24)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"161868"	NA
"140377"	140377	"arnebin"	"CC(=CCC(OC(=O)C=C(C)C)c1cc(O)c2C(=O)C=CC(=O)c2c1O)C"	0	""	""	7	6	"32465"	"23444704"
"140380"	140380	"ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-dia..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)N3CCOCC3)c(Cl)c2"	0	""	""	1	1	"284536"	"50507910"
"140701"	140701	"4'-(9-acridinylamino)sulfanilanilide, monohydrochloride"	"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc5ccccc35)cc2"	0	NA	NA	6	6	"558920"	"57164611"
"140873"	140873	"2-amino-n-(4-chloro-2-(1h-pyrrole-2-carbonyl)phenyl)acet..."	"NCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccc[nH]2"	0	""	""	2	2	"284708"	"106410133"
"140911"	140911	"isothiocyanic acid, sulfonyldi-m-phenylene ester"	"O=S(=O)(c1cccc(c1)N=C=S)c2cccc(c2)N=C=S"	0	""	""	1	1	"284731"	"40939762"
"141046"	141046	"Clofazimine"	"CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	NA	NA	2	1	"426821"	"2030639"
"141057"	141057	"7-Amino-1-fluoro-9h-fluoren-9-one"	"Nc1ccc2c(c1)C(=O)c3c(F)cccc23"	0	""	""	1	1	"284793"	NA
"141103"	141103	"4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride"	"CN(C)Cc1cc(cc(C2CCCCC2)c1O)C(C)(C)C"	0	""	""	1	1	"24192538"	NA
"141257"	141257	"4-Carbamoyl-1-dodecylpyridin-1-ium bromide"	"CCCCCCCCCCCC[n+]1ccc(cc1)C(=O)N"	0	""	""	1	1	"14143619"	"83350565"
"141313"	141313	"STK732196"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1C"	0	""	""	1	1	"284925"	"4572592"
"141350"	141350	"Bis(4-methoxyphenyl)iodanium;hydrobromide"	"COc1ccc([I+]c2ccc(OC)cc2)cc1"	0	""	""	2	2	"54610326"	"57422090"
"141351"	141351	"(4-Methoxyphenyl)-phenyliodanium;2,2,2-trifluoroacetate"	"COc1ccc([I+]c2ccccc2)cc1"	0	""	""	2	2	"21910132"	"330881"
"141523"	141523	"platinum, diamminedibromo-, cis- (8ci)"	"N[Pt](N)(Br)Br"	0	NA	NA	2	1	"559094"	"15978913"
"141527"	141527	"1-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	"CC1=NCCc2cc3[nH]c4ccccc4c3cc12"	0	""	""	5	2	"284986"	NA
"141537"	141537	"Anguidin"	"CC(=O)OCC12CCC(=CC1OC3C(O)C(OC(=O)C)C2(C)C34CO4)C"	0	NA	NA	23	4	"559097"	"2270408"
"141538"	141538	"ovalicine subst."	"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CC=C(C)C"	0	""	""	1	1	"284995"	NA
"141539"	141539	"Dihydroovalicine subst."	"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CCC(C)C"	0	""	""	1	1	"284996"	NA
"141540"	141540	"Etoposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26"	0	"TOP2"	"FDA approved"	53	34	"-1"	"33419420"
"141545"	141545	"suavedol"	"COc1cc2CCN(C)C3CC4(C=CC(=O)C=C4)c(c1O)c23"	0	NA	NA	1	1	"427067"	"6808726"
"141549"	141549	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	"-1"	"54301154"
"141562"	141562	"1-[(2-methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniat..."	"Cc1nc2ccccc2cc1C[N+]34CN5CN(CN(C5)C3)C4"	0	NA	NA	1	1	"559102"	NA
"141633"	141633	"Homoharringtonine"	"COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	"Apo|Ang|Pi"	"FDA approved"	10	5	"-1"	"26833874"
"141634"	141634	"Isoharringtonine"	"COC(=O)[C@@H](O)[C@](O)(CCC(C)C)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	""	""	2	1	"73492"	"26833863"
"142053"	142053	"1-methyl-6H-pyrido[4,3-b]carbazole"	"Cc1nccc2cc3[nH]c4ccccc4c3cc12"	0	""	""	1	1	"285249"	NA
"142055"	142055	"1-butyl-5-methyl-2H-pyrido[4,3-b]carbazole"	"CCCCc1nccc2c(C)c3[nH]c4ccccc4c3cc12"	0	""	""	5	2	"285250"	NA
"142226"	142226	"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide"	"ON(C(=O)C(Cl)Cl)c1ccccc1OCc2ccccc2"	0	""	""	1	1	"285364"	"34287984"
"142227"	142227	"geiparvin"	"C\C(=C/COc1ccc2C=CC(=O)Oc2c1)\C3=CC(=O)C(C)(C)O3"	0	NA	NA	7	2	"427479"	"36413919"
"142269"	142269	"N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea"	"CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1"	0	""	""	1	1	"285402"	NA
"142475"	142475	"J3.628.409I"	"BrC1=CC2(CCC(=O)O2)C=C(Br)C1=O"	0	""	""	2	2	"285494"	"90792646"
"142480"	142480	"4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione"	"Clc1c(Cl)c(Cl)c2NC(=S)Nc2c1Cl"	0	""	""	1	1	"5041204"	"18392422"
"142493"	142493	"N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)N\N=C\c2cc(Br)ccc2O)cc1"	0	""	""	1	1	"135545714"	NA
"142543"	142543	"9h-fluoren-2-amine, n,n-bis(2-bromoethyl)- (9ci)"	"BrCCN(CCBr)c1ccc2c(Cc3ccccc23)c1"	0	NA	NA	1	1	"427676"	"6036926"
"142587"	142587	"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione"	"CCCn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"285581"	"93733074"
"143019"	143019	"methanediamine, n,n'-bis(1,3,4-thiadiazol-2-yl)-"	"C(Nc1nncs1)Nc2nncs2"	0	""	""	1	1	"97676"	"26907379"
"143020"	143020	"Mithramycin"	"O=C1c2c(CC(C1OC1CC(OC3CC(OC4CC(C)(C(C(O4)C)O)O)C(C(O3)C)O)C(C(O1)C)O)C(C(=O)C(C(C)O)O)OC)cc1c(c2O)c(c(c(c1)OC1CC(OC2CC(C(C(O2)C)O)O)C(C(C)O1)O)C)O"	0	"Db|Rs"	"FDA approved"	5	3	"-1"	"62345817"
"143093"	143093	"Acetylkidamycin"	"COC1(OC(=O)C)c2c3OC(=CC(=O)c3c(C)cc2C(=O)c4c(cc(C5CC(C)(C(OC(=O)C)C(C)O5)N(C)C)c(O)c14)C6CC(C(OC(=O)C)C(C)O6)N(C)C)\C(=C\C)\C"	0	NA	NA	2	2	"427859"	"39293248"
"143095"	143095	"Pyrazofurin"	"NC(=O)c1[nH]nc(C2OC(CO)C(O)C2O)c1O"	0	"Ds|Rs"	""	12	11	"-1"	"30868305"
"143099"	143099	"2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7..."	"OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2OC1c6ccc(O)c(O)c6"	0	""	""	1	1	"130556"	"15514064"
"143102"	143102	"methanesulfonamide, n-[4-[(3-chloro-9-acridinyl)amino]ph..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(Cl)ccc24)cc1"	0	""	""	2	2	"12999171"	"53251028"
"143103"	143103	"methanesulfonamide, n-[4-[(3-methoxy-9-acridinyl)amino]p..."	"COc1ccc2c(Nc3ccc(NS(=O)(=O)C)cc3)c4ccccc4nc2c1"	0	""	""	2	2	"12999166"	"53250934"
"143106"	143106	"pentanamide, n-(methylsulfonyl)-n-[4-[(3-nitro-9-acridin..."	"CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1)S(=O)(=O)C"	0	""	""	2	2	"21144481"	NA
"143108"	143108	"Cyclic dibutyryl AMP"	"CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC"	0	NA	NA	2	1	"427867"	"362743"
"143147"	143147	"urea, 1,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chlor..."	"ClCCN(N=O)C(=O)NC1CCC(CC2CCC(CC2)NC(=O)N(CCCl)N=O)CC1"	0	""	""	3	2	"285728"	"33024350"
"143241"	143241	"dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1..."	"CCOC(=O)N1CCc2cc(OC)c(OC)c3c4cc(OC)c(OC)cc4cc1c23"	0	""	""	6	2	"285758"	"7630720"
"143342"	143342	"Cyto4F10"	"O\N=C/1\C=C\C(=C(\C#N)/c2ccccc2)\C=C1Br"	0	""	""	1	1	"5715129"	NA
"143343"	143343	"N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide"	"COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2ccc(cc2)N(C)C"	0	""	""	2	2	"6158638"	"39229613"
"143346"	143346	"STK387357"	"CCOC(=O)C1=C(C)NC(=C(C1c2ccc(Cl)cc2)C(=O)OCC)C"	0	""	""	1	1	"285815"	"35929794"
"143471"	143471	"af 05"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(\C=N\OC(c5ccccc5)c6ccccc6)c(O)c4c3C2=O"	0	NA	NA	2	1	"428039"	"38330153"
"143491"	143491	"daunorubicin oxime hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N/O)\C"	0	NA	NA	4	4	"301203"	"34610601"
"143532"	143532	"Bis(2-methoxy-4-methylphenyl)methanone"	"COc1cc(C)ccc1C(=O)c2ccc(C)cc2OC"	0	""	""	1	1	"285885"	NA
"143647"	143647	"DL-Alanosine"	"NC(CN(O)N=O)C(=O)O"	0	NA	NA	1	1	"559469"	"5854955"
"143648"	143648	"Sangivamycin Hydrochloride"	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	13	3	"559470"	"21090357"
"143677"	143677	""	"OC(=O)\C(=C/c1ccncc1)\c2cccc3ccccc23"	0	NA	NA	1	1	"428192"	NA
"143925"	143925	"pekilocerin a"	"CC1CC(O)C(=O)C(O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)C(CC[C@]45O)C6=CC(=O)OC6)[C@]3(C[C@H]2O)C=O)O1"	0	NA	NA	2	1	"428306"	"1986705"
"144033"	144033	"NE35323"	"c1ccc2c(cccc2c1)c3nc4ccccc4[nH]3"	0	""	""	1	1	"286183"	"2562814"
"144054"	144054	"picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone"	"CN(C)c1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	"9555761"	"31181518"
"144055"	144055	"hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]m..."	"CC(=O)Oc1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	"9555726"	"28321280"
"144126"	144126	""	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(\C=N\Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c(O)c4c3C2=O"	0	NA	NA	1	1	"559543"	NA
"144152"	144152	"eriolanin"	"CC(CCCO)C1=C(CO)CC2OC(=O)C(=C)C2C1OC(=O)C(=C)C"	0	NA	NA	1	1	"559558"	NA
"144153"	144153	"Datiscoside"	"CC1OC(O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@H]2[C@@](C)(O)C(=O)\C=C\C(C)(C)O)C(OC(=O)C)C(=O)C1O"	0	NA	NA	9	4	"428477"	"36067568"
"144163"	144163	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-"	"Clc1ccc2nc(CI)c(CI)nc2c1"	0	""	""	2	2	"286252"	"3298871"
"144168"	144168	"2(1h)-quinoxalinone, 3-(bromomethyl)-"	"BrCC1=Nc2ccccc2NC1=O"	0	""	""	3	3	"286254"	"62235614"
"144173"	144173	"quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-"	"COc1ccc2nc(CI)c(CI)nc2c1"	0	""	""	3	3	"286257"	"32602087"
"144177"	144177	"Quinoxaline, 2-chloro-3-(iodomethyl)-"	"Clc1nc2ccccc2nc1CI"	0	""	""	2	2	"286258"	"32601926"
"144198"	144198	"(2E)-2-[(4Z)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile"	"O\N=C/1\C=C(Cl)\C(=C(\C#N)/c2cccc3ccccc23)\C=C1Br"	0	""	""	1	1	"54610169"	NA
"144295"	144295	"propionamide, 2,3-dibromo-"	"NC(=O)C(Br)CBr"	0	""	""	2	2	"85798"	"15102428"
"144302"	144302	"4h-thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylid..."	"COc1ccc(\C=C\2/CS(=O)(=O)C\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	""	""	2	2	"6310035"	"61448815"
"144303"	144303	"4h-thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)me..."	"[O-][N+](=O)c1ccc(\C=C/2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+](=O)[O-])\C2=O)cc1"	0	""	""	3	2	"6477008"	NA
"144310"	144310	"4h-thiopyran-4-one, 3,5-bis[(3,4-dimethoxyphenyl) methyl..."	"COc1ccc(\C=C/2\CSC\C(=C/c3ccc(OC)c(OC)c3)\C2=O)cc1OC"	0	NA	NA	3	2	"428572"	NA
"144470"	144470	"wln: t66 bnj bo c1 enw"	"Cc1cc(c2ccccc2[n+]1[O-])[N+](=O)[O-]"	0	NA	NA	2	2	"559612"	"4831623"
"144694"	144694	""	"NC(=O)\C(=C/c1ccncc1)\c2cccc3ccccc23"	0	NA	NA	1	1	"428726"	NA
"144698"	144698	""	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3C(F)(F)F)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	"428730"	NA
"144872"	144872	"isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-"	"CS(=O)(=O)c1nc(Cl)c(Cl)c(C#N)c1Cl"	0	""	""	7	4	"97694"	"35597821"
"144988"	144988	"Furazan, di-p-anisoyl-, 2-oxide"	"COc1ccc(cc1)C(=O)c2no[n+]([O-])c2C(=O)c3ccc(OC)cc3"	0	""	""	2	2	"286532"	"40499783"
"145016"	145016	"furazan, bis(p-chlorobenzoyl)-, monooxide (8ci)"	"[O-][n+]1onc(C(=O)c2ccc(Cl)cc2)c1C(=O)c3ccc(Cl)cc3"	0	""	""	2	2	"286557"	"21443481"
"145150"	145150	"u 36699"	"CC1C2C=C(C3COC(=O)C(=C)C23C=C1C)C(=O)O"	0	""	""	6	2	"286636"	"70857522"
"145168"	145168	"maleimide, n-(1-hydroxyacetonyl)-"	"CC(=O)C(O)N1C(=O)C=CC1=O"	0	""	""	6	2	"286651"	"66234842"
"145219"	145219	"1,2,5-Triphenylpentane-1,5-dione"	"O=C(CCC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"286676"	"58337987"
"145611"	145611	"rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-"	"CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)C(C)[C@@H](O)C(C)[C@H](OC(=O)C)[C@@H]1C)\C)c(CN5CCN(C)CC5)c(O)c4c3C2=O"	0	NA	NA	2	2	"428974"	"4075449"
"145668"	145668	"Ancitabine hydrochloride"	"OCC1OC2C(OC3=NC(=N)C=CN23)C1O"	0	"Ds"	"FDA approved"	10	7	"-1"	"10212256"
"145669"	145669	"4(1h)-quinazolinone, 2,3-dihydro-2-(1-naphthyl)- (8ci)"	"O=C1NC(Nc2ccccc12)c3cccc4ccccc34"	0	""	""	3	2	"286701"	"31785601"
"145801"	145801	"mercury, tetrakis(acetato)(2,3,4,5-thiophenetetrayl)tetra-"	"CC(=O)O[Hg]c1sc([Hg]OC(=O)C)c([Hg]OC(=O)C)c1[Hg]OC(=O)C"	0	""	""	1	1	"16683745"	"40600575"
"145904"	145904	"Ivalbin"	"CC(O)CC(O)C1=CCC2C(CC1C)OC(=O)C2=C"	0	""	""	2	2	"286755"	"7544652"
"146067"	146067	"Malonatodiammineplatinum(II)"	"N[Pt]1(N)OC(=O)CC(=O)O1"	0	NA	NA	2	1	"559809"	"38780437"
"146109"	146109	"pseudourea, 2-[(10-methyl-9-anthryl)methyl]-2-thio-, mon..."	"Cc1c2ccccc2c(CSC(=N)N)c3ccccc13"	0	NA	NA	2	2	"559812"	"59474010"
"146208"	146208	"zorbamycin, dihydrochloride"	"[C@H]([C@H](NC(=O)c1nc([C@@H](NC[C@@H](C(=O)N)N)CC(=O)N)nc(c1C)N)C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCC1=N[C@H](CS1)c1nc(cs1)C(=O)NCCC(=N)N)[C@](C)(C)O)C)O)CCO)(O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)N)[C@@H]([C@H](O2)CO)O)[C@@H](O)[C@@H]([C@@H](O1)C)O)c1cnc[nH]1"	0	"DDI|RDI"	""	6	5	"-1"	"11056205"
"146267"	146267	"adiantifoline"	"COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc4cc5CC6N(C)CCc7c(OC)c(OC)c(OC)c(c5cc4OC)c67)cc1OC"	0	NA	NA	2	2	"559839"	NA
"146268"	146268	"as-triazine-3,5(2h,4h)-dione, 2-.beta.-d-ribofuranosyl-3..."	"OCC1OC(C(O)C1O)N2N=CC(=O)NC2=S"	0	NA	NA	4	4	"429317"	"27089561"
"146374"	146374	"2-propanone, 1-chloro-3-(triphenylphosphoranylidene)-"	"ClCC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	1	"287004"	"13605668"
"146377"	146377	"carbohydrazide, 1-(2-pyridylmethylene)-3-thio-, dihydroc..."	"NNC(=S)N\N=C\c1ccccn1"	0	""	""	1	1	"54610180"	NA
"146396"	146396	"nitidine, methoxydihydro"	"COC1N(C)c2c(ccc3cc4OCOc4cc23)c5cc(OC)c(OC)cc15"	0	NA	NA	7	6	"429345"	"41349331"
"146397"	146397	"nitidine, chloride (8ci)"	"COc1cc2c[n+](C)c3c4cc5OCOc5cc4ccc3c2cc1OC"	0	""	""	3	3	"25659"	"13063042"
"146557"	146557	"N-[4-(4-bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide"	"Cc1ccc(C)c(c1)N2\C(=N\C(=O)c3ccccc3F)\SC=C2c4ccc(Br)cc4"	0	""	""	1	1	"287145"	NA
"146604"	146604	"5-fur"	"OCC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	7	4	"429530"	"316461"
"146769"	146769	"4-nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide"	"[O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc(Nc3ccncc3)cc2"	0	""	""	2	1	"4261343"	"23552718"
"146771"	146771	"4-(6-nitroquinolin-4-ylamino)-n-(4-(pyridin-4-yl-amino)p..."	"[O-][N+](=O)c1ccc2nccc(Nc3ccc(cc3)C(=O)Nc4ccc(Nc5ccncc5)cc4)c2c1"	0	""	""	1	1	"4532204"	"50440307"
"146848"	146848	"AK174100"	"OC(=O)c1cccc(COc2ccc(cc2Cl)[N+](=O)[O-])c1"	0	""	""	1	1	"287272"	"30880729"
"146865"	146865	""	"COc1cc2ccc(cc2cc1OC)\C(=N\OC(=O)C)\C"	0	NA	NA	1	1	"429641"	NA
"147811"	147811	"6,7-Dimethoxyisoquinoline-1-carbaldehyde"	"COc1cc2ccnc(C=O)c2cc1OC"	0	""	""	1	1	"287724"	"71046350"
"148077"	148077	""	"CCOC1=S[Pt+2]2([SH-]C(=S2)OCC)[SH-]1"	0	NA	NA	1	1	"430294"	NA
"148180"	148180	"Sab hydrazone"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2"	0	""	""	1	1	"135400584"	"3232379"
"148290"	148290	"alanine, n-2-thenylidene-3-(tritylthio)-, compd. with di..."	"OC(=O)C(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)\N=C\c4cccs4"	0	""	""	3	2	"422867"	NA
"148339"	148339	"fixanol vr"	"CCCCCCCCCCCCCC[n+]1ccccc1"	0	""	""	2	2	"62379"	"1155744"
"148484"	148484	"2-{[4-(Bromoacetyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl]methyl}-1h-isoindole-1,3(2h)-dione"	"CN1C(=CC(=C(CN2C(=O)c3ccccc3C2=O)C1=O)C(=O)CBr)C"	0	""	""	1	1	"288059"	NA
"148596"	148596	"2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione"	"OCCSC1=CC(=O)c2ccccc2C1=O"	0	NA	NA	1	1	"430557"	"83293770"
"148790"	148790	"olendrigenin"	"CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C5=CC(=O)OC5"	0	NA	NA	2	2	"430572"	"465156"
"148823"	148823	"n-methylpavin"	"COc1cc2CC3N(C)C(Cc4cc(OC)c(OC)cc34)c2cc1OC"	0	NA	NA	1	1	"430596"	"6901162"
"148958"	148958	"Tegafur"	"FC1=CN([C@H]2CCCO2)C(=O)NC1=O"	0	"Df"	"FDA approved"	14	2	"-1"	"37076689"
"149286"	149286	"1,4-pentadien-3-one, 1,5-di-3-pyridyl-"	"O=C(\C=C\c1cccnc1)\C=C\c2cccnc2"	0	""	""	2	2	"5382674"	"3939046"
"149501"	149501	"Bleomycin A5, sulfate"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCN.OS(=O)(=O)O"	0	NA	NA	2	2	"560189"	NA
"149583"	149583	"Adriamycin nicotinate"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)c6cccnc6"	0	""	""	2	2	"24193195"	"51898409"
"149584"	149584	"Adriamycin octanoate"	"CCCCCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	NA	NA	2	2	"560200"	"51898396"
"149585"	149585	"Adriamycin benzoate"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)c6ccccc6"	0	""	""	2	2	"24193199"	"41962281"
"149692"	149692	"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one"	"O=C1c2ccsc2c3cccc4cccc1c34.O=C5c6cccc7cccc(c8ccsc58)c67"	0	""	""	1	1	"288480"	NA
"149765"	149765	"primaquine phosphate"	"COc1cc(NC(C)CCCN)c2ncccc2c1"	0	NA	NA	2	2	"431058"	"63456"
"149849"	149849	"1-[(E)-styryl]-9H-beta-carboline"	"C(=C\c1nccc2c3ccccc3[nH]c12)/c4ccccc4"	0	""	""	1	1	"5382687"	NA
"149967"	149967	"Methyl 4-amino-4-oxobut-2-ynoate"	"COC(=O)C#CC(=O)N"	0	""	""	2	1	"288678"	"63424588"
"150014"	150014	"Hydrazine Sulfate"	"NN"	0	NA	NA	8	5	"431249"	"10034932"
"150080"	150080	"2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol"	"CN1CCCN(C)C1c2cc(ccc2O)[N+](=O)[O-]"	0	""	""	1	1	"288749"	NA
"150094"	150094	"1-azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-"	"O=C1C2CCN(CC2)C1CN3CCOCC3"	0	""	""	3	2	"288759"	"41971486"
"150117"	150117	""	"O=C1\C(=C/c2ccccc2)\C(NC3CCCCC3)c4ccccc14"	0	NA	NA	2	2	"560285"	NA
"150169"	150169	"CBMicro_028526"	"OC(=O)C(CC(=O)c1ccccc1)N2CCOCC2"	0	""	""	1	1	"288825"	"21813616"
"150220"	150220	"T5741887"	"[O-][N+](=O)c1ccccc1\C=C\2/Cc3ccccc3C2=O"	0	""	""	1	1	"2697149"	"68063183"
"150289"	150289	"2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone"	"[O-][N+](=O)c1ccc(cc1)C(=O)C(Br)C(Br)c2ccnc3ccccc23"	0	""	""	2	2	"288920"	NA
"150290"	150290	""	"[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccnc3ccccc23"	0	NA	NA	2	2	"431486"	"93656305"
"150311"	150311	"2-propenone, 1-(4-bromophenyl)-2-(4-morpholinylmethyl)-3..."	"Brc1ccc(cc1)C(=O)\C(=C/c2ccccc2)\CN3CCOCC3"	0	""	""	2	1	"24193247"	NA
"150347"	150347	"1(4h)-naphthalenone, 2-[.alpha.-(tert-butylamino)benzyl]..."	"CC(C)(C)NC(C1=CC(C)(C)c2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	"288969"	"15982544"
"150412"	150412	"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	"CC(=CCNc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N)C"	0	""	""	2	2	"289018"	"52443159"
"150432"	150432	"2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol"	"OCCNc1nc2c(cc(Cl)cc2c3ccccc13)[N+](=O)[O-]"	0	""	""	2	2	"289037"	NA
"150440"	150440	"methanesulfonamide, n-[3-methoxy-4-[(4-methyl-9-acridiny..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c(C)cccc24"	0	""	""	2	2	"148552"	"51963587"
"150446"	150446	"Berberine iodide"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	""	""	1	1	"72350"	"4263847"
"150527"	150527	"fluderma"	"CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC(=C5C=C(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)OCCCl)C=O"	0	NA	NA	1	1	"301208"	"2825607"
"150554"	150554	"4,6-Diphenyl-1,3,5-thiadiazinane-2-thione"	"S=C1NC(NC(S1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"3701777"	"53983189"
"150555"	150555	"mecal"	"S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3"	0	""	""	2	2	"67686"	"350129"
"150837"	150837	"3-(diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride"	"CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(O)c4ccccc4c(O)c3C(=O)c12"	0	""	""	1	1	"54600915"	NA
"150862"	150862	"Bleomycin fraction blm-hpe"	"CC(O)CNCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C4CC(=O)N4CC(N)C(=O)N)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(OC(=O)N)C6O)c7c[nH]cn7)C(C)O)n2"	0	NA	NA	3	3	"560386"	NA
"150982"	150982	"2-(2-nitrovinyl)-1H-indole"	"[O-][N+](=O)\C=C\c1cc2ccccc2[nH]1"	0	""	""	2	2	"5382764"	"14255186"
"151060"	151060	"1-Tetradecylpyridin-1-ium-4-carboxamide;bromide"	"CCCCCCCCCCCCCC[n+]1ccc(cc1)C(=O)N"	0	""	""	1	1	"24193325"	NA
"151224"	151224	"wln: i1vmr de"	"Brc1ccc(NC(=O)CI)cc1"	0	""	""	1	1	"28665"	"17641042"
"151247"	151247	"1-(2,5-dimethoxyphenyl)-2-nitropropene"	"COc1ccc(OC)c(\C=C(\C)/[N+](=O)[O-])c1"	0	NA	NA	1	1	"432086"	"18790573"
"151655"	151655	"dihydrogeiparvarim"	"CC(CCOc1ccc2C=CC(=O)Oc2c1)C3=CC(=O)C(C)(C)O3"	0	""	""	1	1	"289493"	"16850990"
"151888"	151888	"4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline"	"CCCN(CCC)c1ccc(\C=C\c2ccc3cc(OCC)ccc3n2)cc1"	0	""	""	1	1	"6300604"	NA
"151980"	151980	"4-quinolinol, 7-methoxy-2-phenyl-"	"COc1ccc2c(O)cc(nc2c1)c3ccccc3"	0	""	""	2	2	"289743"	NA
"151982"	151982	"REGID_for_CID_289745"	"COc1cc(NC2CCCCC2O)c3nc(ccc3c1)c4ccc(Cl)cc4"	0	""	""	1	1	"289745"	NA
"152731"	152731	"6h-pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(oxiranylmeth..."	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CC5CO5"	0	""	""	5	4	"290108"	NA
"153175"	153175	"cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoa..."	"OC(=O)[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	2	1	"432936"	"42558941"
"153325"	153325	"AB07325"	"Clc1nc(Cl)c2c3CCCCc3sc2n1"	0	""	""	2	2	"290234"	"40277358"
"153330"	153330	"CBMicro_004985"	"CC1=NC(=O)c2c3CCCCc3sc2N1"	0	""	""	1	1	"209395"	"19819159"
"153353"	153353	"L-Alanosine"	"NC(CN(O)N=O)C(=O)O"	0	"Ds|Rs"	""	15	14	"-1"	"59163416"
"153533"	153533	""	"COc1cc2CCN=C(CCN)c2cc1OC"	0	NA	NA	2	2	"560795"	"93428729"
"153582"	153582	""	"CC12C(=C(C(c3ccccc13)[n+]4ccccc24)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"560818"	"32865477"
"153625"	153625	"3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine"	"C1N2C(NN=C1c3ccccc3)c4ccccc4c5ccccc25"	0	""	""	1	1	"290348"	"30589458"
"153858"	153858	"Maytansine"	"CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4"	0	"TUBB"	""	39	15	"-1"	"35846538"
"154020"	154020	"triciribine"	"CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24"	0	"PK:AKT1"	""	4	4	"-1"	"35943352"
"154318"	154318	"methanesulfon-m-anisidide, 4'-[(3-chloro-5-methoxy-9-acr..."	"COc1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3OC)c4ccc(Cl)cc4nc12"	0	""	""	2	2	"290525"	NA
"154572"	154572	"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol"	"Oc1ccc(CCNCc2cc3OCOc3cc2Br)cc1"	0	""	""	1	1	"290548"	"34315372"
"154652"	154652	"(E)-2,4-diphenylbut-3-enoic acid"	"OC(=O)C(\C=C\c1ccccc1)c2ccccc2"	0	""	""	1	1	"5458329"	"2294908"
"154751"	154751	"urea, n'-(5,6-dichloro-1h-benzimidazol-2-yl)-n,n-dimethyl-"	"CN(C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1"	0	""	""	2	2	"290653"	NA
"154756"	154756	"4(1h)-quinazolinone, 2,3-dihydro-2-(4-methoxy-2,5-xylyl)-"	"COc1cc(C)c(cc1C)C2NC(=O)c3ccccc3N2"	0	""	""	3	2	"290655"	NA
"154829"	154829	"7h-pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-(hydrox..."	"OCC1OC(C(O)C1O)n2cc(C(=N)NO)c3\C(=N\O)\NC=Nc23"	0	NA	NA	2	2	"560953"	"57071837"
"154890"	154890	"coralyne sulfoacetate"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC.OS(=O)(=O)CC(=O)[O-]"	0	NA	NA	3	3	"560974"	"38989376"
"154894"	154894	"4-[(3-chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline"	"ClCCCN(CCCCl)c1ccc(\C=N\c2cccc(Cl)c2)cc1"	0	""	""	3	2	"24193638"	"60625481"
"154896"	154896	"4-((3-chlorophenylimino)methyl)-n,n-bis-(3-chloropropyl)..."	"Cc1cc(ccc1\C=N\c2cccc(Cl)c2)N(CCCCl)CCCCl"	0	""	""	1	1	"24193640"	"60625505"
"154948"	154948	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	"148674"	"54301165"
"154966"	154966	"Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate"	"NCOC(=O)Cc1ccc(Br)cc1"	0	""	""	1	1	"290763"	NA
"155556"	155556	"hydrocinnamaldehyde, .alpha.,.beta.-dibromo-"	"BrC(C=O)C(Br)c1ccccc1"	0	""	""	2	2	"151715"	"62248402"
"155594"	155594	"4-nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline"	"Nc1ccc(cc1\N=C\C=C\c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	"6050084"	NA
"155595"	155595	"NCIMech_000043"	"Clc1ccc2NC(CC(Nc2c1)c3ccccc3)C#N"	0	""	""	2	2	"291072"	NA
"155619"	155619	"Melampodin"	"COC(=O)\C\1=C\C2OC2\C(=C\C3OC(=O)C(=C)C3C(OC(=O)C4(C)OC4C)C1O)\C"	0	NA	NA	1	1	"561077"	"35852267"
"155693"	155693	"9-methoxy-2-methylellipticinium iodide"	"COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	18	18	"3086380"	"93841500"
"155694"	155694	"9-Methoxy-2,6-dimethylellipticinium iodide"	"COc1ccc2c(c1)c3c(C)c4c[n+](C)ccc4c(C)c3n2C"	0	NA	NA	8	7	"561084"	NA
"156130"	156130	"melampodin"	"C\C\1=C\CCC2=CC(C\C(=C/C3OC(=O)C(=C)C3CC1)\C)OC2=O"	0	NA	NA	6	2	"434089"	"3484375"
"156215"	156215	"streptovaricin b"	"COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\[C@@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(=O)C)\C"	0	NA	NA	1	1	"434164"	"11031826"
"156218"	156218	"streptovaricin f"	"CC1C(O)C2C(O)C(C)C(OC2=O)C(C)(O)\C=C\C=C(/C)\C(=O)Nc3c(C)c(OC(=O)C)c4C5=C(OCOC5=C(C)C(=O)c4c3O)\C(=C/C(C)(O)C1O)\C"	0	NA	NA	1	1	"561119"	"35512379"
"156265"	156265	""	"CN1CCC2(CC1)SSC3(CCN(C)CC3)S2"	0	NA	NA	1	1	"561131"	"93256156"
"156302"	156302	"methanesulfonamide, n-[3-methoxy-4-[(4-methyl-9-acridiny..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c(C)cccc24"	0	""	""	2	2	"12254669"	"57164757"
"156303"	156303	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	"-1"	"54301165"
"156305"	156305	"methanesulfonamide, n-[4-(9-acridinylamino)phenyl]-, met..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	7	6	"148869"	NA
"156306"	156306	"o-AMSA monomethanesulfonate"	"COc1cc(Nc2c3ccccc3nc4ccccc24)ccc1NS(=O)(=O)C"	0	""	""	1	1	"148799"	"57164860"
"156310"	156310	"acetic acid, rhodium salt (4:2)"	"CC1=[O][Rh]234OC(=[O][Rh]2(OC(=[O]3)C)(O1)[O]=C(C)O4)C"	0	""	""	1	1	"423677"	"15956282"
"156311"	156311	"rhodium(1+), dichlorotetrakis(pyridine)-, chloride, pent..."	"Cl[Rh](Cl)(N1CCCCC1)(N2CCCCC2)(N3CCCCC3)N4CCCCC4"	0	NA	NA	1	1	"561140"	"14077306"
"156526"	156526	"anthra[1,9-bc]thiopyranium, 1-methyl-3-phenyl-, chloride"	"CC1=C[S+](c2ccccc2)c3cccc4cc5ccccc5c1c34"	0	""	""	2	2	"24193713"	"41135006"
"156529"	156529	"1h-anthra[1,9-bc]thiophenium, 6-methyl-2-phenyl-10-(phen..."	"Cc1c2cccc(Sc3ccccc3)c2c4C[S+](c5ccccc5)c6cccc1c46"	0	""	""	2	2	"5458338"	"41134887"
"156565"	156565	"anthraquinone, 1-hydroxy-4-[p-(2-hydroxyethyl)anilino]-"	"OCCc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1"	0	""	""	1	1	"291365"	"71335869"
"156625"	156625	"coralyne, nor, 8-ethyl"	"CCc1c2cc(OC)c(OC)cc2cc3c4cc(OC)c(OC)cc4cc[n+]13.CC(C(=O)[O-])S(=O)(=O)O"	0	NA	NA	4	3	"561161"	"51865953"
"156939"	156939	"lomondomycin"	"COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"	0	""	""	2	2	"135426834"	"26786845"
"157004"	157004	"Nybomycin acetate"	"CN1C(=O)C=C(COC(=O)C)c2cc3C(=CC(=O)N4COc(c12)c34)C"	0	""	""	6	2	"291663"	"35982888"
"157035"	157035	"Parthenolide"	"C\C\1=C\CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1"	0	"Apo"	"FDA approved"	6	2	"-1"	"20554841"
"157073"	157073	"guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-"	"[O-][N+](=O)NC(=N)N\N=C\c1ccc(Br)cc1"	0	NA	NA	2	2	"561211"	"41467918"
"157307"	157307	"EiM07-30327"	"CC(C)c1ccc(cc1)C(C2=C(O)c3ccccc3OC2=O)C4=C(O)c5ccccc5OC4=O"	0	""	""	2	1	"54677783"	NA
"157365"	157365	"carzinostatin"	NA	0	""	""	14	2	"57125363"	"9014022"
"157371"	157371	"phosphonium, (3,5-di-tert-butyl-4-hydroxybenzyl)tripheny..."	"CC(C)(C)c1cc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc(c1O)C(C)(C)C"	0	""	""	2	2	"10257261"	"62546898"
"157381"	157381	"AOCSTDDQEMIYAG-UHFFFAOYSA-N"	"O=C(NNc1ccccc1)OCc2ccccc2"	0	""	""	1	1	"291832"	"40887056"
"157382"	157382	"pyrocatechol, cyclic arsenite"	"O([As]1Oc2ccccc2O1)[As]3Oc4ccccc4O3"	0	""	""	1	1	"291833"	"23886579"
"157387"	157387	"Mefloquine Hydrochloride"	"O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	2	"561233"	"51773923"
"157388"	157388	"wr 158122"	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3ccc4ccccc4c3"	0	""	""	2	2	"98652"	"51123832"
"157389"	157389	"pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-meth..."	"CCN(CC)CCCC(C)Nc1ccnc(\C=C\c2ccc(Cl)cc2)c1"	0	NA	NA	2	2	"434843"	"56401888"
"157469"	157469	"6,6'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bi..."	"Cc1cc(Cc2c(C)c(C)c(Cc3cc(C)cc(c3O)C(C)(C)C)c(C)c2C)c(O)c(c1)C(C)(C)C"	0	""	""	1	1	"291903"	"15459048"
"157487"	157487	"A822488"	"[O-][N+](=O)c1cc(c(Nc2ccc(Cl)cc2)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"291920"	"34749638"
"157725"	157725	"1h-1,4-benzodiazepine-1-acetic acid, 7-chloro-2,3-dihydr..."	"OC(=O)CN1C(=O)CN=C(c2ccccn2)c3cc(Cl)ccc13"	0	""	""	1	1	"292106"	NA
"157839"	157839	"2-Formylphenylboronic acid"	"OB(O)c1ccccc1C=O"	0	""	""	1	1	"292189"	"40138167"
"157930"	157930	"sulfonium, tri-p-tolyl-, chloride"	"Cc1ccc(cc1)[S+](c2ccc(C)cc2)c3ccc(C)cc3"	0	NA	NA	3	2	"561314"	"22417227"
"157995"	157995	"Fagaronine Chloride"	"COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O"	0	""	""	6	5	"40304"	"52259640"
"158036"	158036	"1,2-benzisothiazoline-3-thione, 2-methyl- (8ci)"	"CN1Sc2ccccc2C1=S"	0	""	""	3	3	"292326"	"15871246"
"158088"	158088	"(3E)-N'-(4-nitrophenyl)-3-[(4-nitrophenyl)hydrazinylidene]butanehydrazide"	"C\C(=N/Nc1ccc(cc1)[N+](=O)[O-])\CC(=O)NNc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"6180765"	NA
"158263"	158263	"indoline, 5-chloro-1,3,3-trimethyl-2-methylene- (8ci)"	"CN1C(=C)C(C)(C)c2cc(Cl)ccc12"	0	""	""	1	1	"81308"	"6872179"
"158362"	158362	"Maybridge3_005416"	"OC(=O)CSCCc1ccccc1"	0	""	""	1	1	"292540"	NA
"158382"	158382	"4(1h)-quinazolinone, 2-(2,4-dimethylphenyl)-2,3-dihydro-"	"Cc1ccc(C2NC(=O)c3ccccc3N2)c(C)c1"	0	""	""	3	2	"292555"	NA
"158383"	158383	"4(1h)-quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-"	"Cc1ccc(C)c(c1)C2NC(=O)c3ccccc3N2"	0	""	""	4	2	"292556"	"83800957"
"158388"	158388	"4(1h)-quinazolinone, 2,3-dihydro-2-(3-methylphenyl)-"	"Cc1cccc(c1)C2NC(=O)c3ccccc3N2"	0	""	""	2	2	"292559"	"83800935"
"158389"	158389	"4(1h)-quinazolinone, 2-(2-ethoxyphenyl)-2,3-dihydro-"	"CCOc1ccccc1C2NC(=O)c3ccccc3N2"	0	""	""	3	2	"292560"	NA
"158390"	158390	"STK382844"	"O=C1NC(Nc2ccccc12)c3ccc4ccccc4c3"	0	""	""	1	1	"292561"	NA
"158391"	158391	"Z48978407"	"Clc1cccc(Cl)c1C2NC(=O)c3ccccc3N2"	0	""	""	1	1	"292562"	"83800946"
"158399"	158399	"N-(4-Methylbenzyl)-4-bromoaniline"	"Cc1ccc(CNc2ccc(Br)cc2)cc1"	0	""	""	1	1	"292569"	NA
"158901"	158901	"4h-imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-.beta.-..."	"OCC1OC(C(O)C1O)n2cnc3C(=O)N=NNc23"	0	NA	NA	1	1	"435958"	"36519161"
"159228"	159228	"4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid"	"Cc1cc(C(=O)O)c(C)n1c2cccc(c2)C(=O)O.O=C3CC4OCC=C5CN6CCC78C6CC5C4C7N3c9ccccc89"	0	""	""	1	1	"5458343"	NA
"159242"	159242	"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate"	"COCC(=O)Oc1cc(c(OC(=O)COC)c(c1)c2ccc(C)cc2C)c3ccc(C)cc3C"	0	""	""	1	1	"292969"	NA
"159628"	159628	"viriditoxin"	"COc1cc(O)c2c(O)c3C(=O)[C@]4(O)C(=O)C(=C(O)C[C@]4(O)[C@@H](O)c3c5C[C@]6(C(=CCCC6(C)C)C)c1c25)C(=O)N"	0	NA	NA	2	2	"436556"	"39277413"
"159630"	159630	"citreoviridin"	"COC1=CC(=O)OC(=C1C)\C=C\C=C\C=C\C(=C/C2(C)OC(C)C(C)(O)C2O)\C"	0	NA	NA	1	1	"436558"	NA
"159631"	159631	"secalonic acid d"	"COC(=O)C12Oc3ccc(c(O)c3C(=O)C1=C(O)CC(C)C2O)c4ccc5OC6(C(O)C(C)CC(=C6C(=O)c5c4O)O)C(=O)OC"	0	NA	NA	2	2	"561521"	"35287695"
"159862"	159862	"ethanesulfon-m-anisidide, 4'-(4,5-dimethyl-9-acridinyl)-..."	"CCS(=O)(=O)Nc1cccc(Nc2c3cccc(C)c3nc4c(C)cccc24)c1OC"	0	""	""	2	2	"423984"	NA
"159935"	159935	"STK565600"	"CCOC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	5	1	"741352"	"28277681"
"160121"	160121	"1h,5h-benzo[ij]quinolizin-9-amine, 2,3,6,7-tetrahydro-n-..."	"CCCCCCCCNc1cc2CCCN3CCCc(c1)c23"	0	""	""	1	1	"54612305"	NA
"160127"	160127	"2-thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide"	"O=S1(=O)N2CN3CN(CN1C3)C2"	0	""	""	3	1	"64164"	"7020511"
"160319"	160319	"2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide"	"O=C(CSC1=NCCN1)c2ccccc2"	0	""	""	1	1	"5458345"	"32188946"
"161128"	161128	"urea, n-[[(dimethylamino)thioxomethyl]thio]-n-methyl-n'-..."	"CN(C)C(=S)SN(C)C(=O)Nc1ccccc1"	0	""	""	5	2	"293865"	NA
"162047"	162047	"1-butanone, 1-[3,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3..."	"OC(CC(=O)c1cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"294096"	NA
"162062"	162062	"bicyclo[2.2.1]heptan-2-one, 3-[2-chloro-1-(chlorodifluor..."	"FC(F)(Cl)C(=C1C2CCC(C2)C1=O)C(F)(F)Cl"	0	""	""	2	2	"98712"	"35474705"
"162083"	162083	"2-oxazolamine, n-(2,3-dihydro-1h-inden-5-yl)-4,5-dihydro-"	"C1Cc2ccc(NC3=NCCO3)cc2C1"	0	""	""	1	1	"294117"	NA
"162215"	162215	"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone"	"CCC(C(=O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"294204"	"34844365"
"162404"	162404	""	"CC1=Cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2OC1=O"	0	NA	NA	1	1	"561687"	NA
"162675"	162675	"celsioside"	"[R]O[R]O[R]OC1CCC2(C)C(CCC3(C)C2C=CC4=C5CC(C)(C)CC(O)C5(CO)CCC34C)C1(C)CO"	0	NA	NA	1	1	"561699"	NA
"162700"	162700	"hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-, ..."	"NC(=S)N\N=C/c1nccc2ccccc12"	0	""	""	2	2	"5874389"	"61043138"
"162887"	162887	"9-acridanone, 3-chloro-10-methyl-"	"CN1c2ccccc2C(=O)c3ccc(Cl)cc13"	0	""	""	1	1	"294452"	"58658416"
"163027"	163027	"diketocoriolin b"	"CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@]34O[C@H]3C(=O)[C@]5(CO5)[C@]24C"	0	NA	NA	8	7	"438013"	"34864307"
"163039"	163039	"ribavirin"	"NC(=O)c1ncn(n1)C2OC(CO)C(O)C2O"	0	""	"FDA approved"	1	1	"-1"	"36791045"
"163055"	163055	"(E)-N,N-dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine"	"CN(C)\C=C\c1nnc(s1)[N+](=O)[O-]"	0	""	""	1	1	"6051815"	NA
"163059"	163059	"STK604248"	"CC1=C(\C=C\C(=O)O)C(=O)NC(=O)N1"	0	""	""	5	2	"743193"	"28277670"
"163062"	163062	"triptolid"	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2O"	0	NA	NA	2	2	"438041"	"38748322"
"163088"	163088	"Berberine Chloride"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	7	7	"561883"	"633658"
"163138"	163138	""	"CC(C)C(Br)C(=O)NCC(=O)O"	0	NA	NA	1	1	"438104"	"52574831"
"163376"	163376	""	"O=C(N1CCOCC1)C2(CCNCC2)c3ccccc3"	0	NA	NA	1	1	"561906"	"83929377"
"163424"	163424	"4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-"	"Nc1nc(nc2ccccc12)c3ccccc3N=NN4CCCC4"	0	""	""	1	1	"424332"	"52698029"
"163443"	163443	"6h-pyrido[4,3-b]carbazole-6-ethanol, 5,11-dimethyl, benz..."	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCOC(=O)c5ccccc5"	0	""	""	6	2	"294609"	NA
"163482"	163482	"F0013-0823"	"C1c2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	"45023740"	NA
"163501"	163501	"Acivicin"	"N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O"	0	"AM"	""	15	3	"294641"	"42228922"
"163664"	163664	"dimethylarsinothious acid, 2,4-pyrimidinediyl ester"	"C[As](C)Sc1ccnc(S[As](C)C)n1"	0	""	""	2	2	"294741"	"51678003"
"163910"	163910	"benzenamine, n-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-"	"[O-][N+](=O)c1ccc(Nc2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"294848"	"6731017"
"163949"	163949	"Trypaflavine Hydrochloride"	"[Cl-].[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	"561969"	"6034599"
"164011"	164011	"Rubidazone"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C"	0	"TOP2"	""	14	12	"-1"	"36508711"
"164017"	164017	"Neuro_000095"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCCCCNCc5ccccc5"	0	""	""	6	2	"4303691"	NA
"164018"	164018	"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCCCCCl"	0	""	""	6	1	"294879"	NA
"164371"	164371	"STK209839"	"Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Cl"	0	""	""	1	1	"295211"	NA
"164850"	164850	"chlorocolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CCl"	0	NA	NA	2	2	"439294"	"26279890"
"164878"	164878	"1-N,4-N-bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide"	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\c3ccc(cc3)N(CCCl)CCCl)cc1"	0	""	""	1	1	"9554616"	NA
"164914"	164914	"tributyl(2,4,5-trichlorophenoxy)tin"	"CCCC[SnH-](CCCC)(CCCC)Oc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	"16683766"	"73927987"
"164932"	164932	"CD-III"	"CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1"	0	NA	NA	1	1	"439347"	"25646713"
"164970"	164970	"propanedinitrile, [(3,5-dibromo-2-ethoxyphenyl)methylene]-"	"CCOc1c(Br)cc(Br)cc1C=C(C#N)C#N"	0	""	""	1	1	"295572"	NA
"164981"	164981	"2h-1,3,5-thiadiazine-2-thione, tetrahydro-5-(1-methyleth..."	"CC(C)N1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	1	1	"295583"	"93429244"
"164991"	164991	"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione"	"Nc1ccccc1SC2CC(=O)N(C2=O)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"295591"	NA
"165260"	165260	"spicatin"	"C\C=C(/CO)\C(=O)OC1C=C(C)C2C3OC(=O)C(=C)C3C(CC4(CO4)C12)OC(=O)\C(=C\C)\COC(=O)C"	0	""	""	1	1	"5458357"	NA
"165528"	165528	"3,5-pyridinedicarbonitrile, 2-amino-6-chloro-"	"Nc1nc(Cl)c(cc1C#N)C#N"	0	""	""	1	1	"295901"	"51768015"
"165563"	165563	"Bruceantin"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24"	0	"MYC"	""	23	8	"-1"	"41451756"
"165572"	165572	"pyrido[3,2-g]quinoline-2,5,8,10(1h,9h)-tetrone, 1,4,6-tr..."	"CN1C(=O)C=C(C)C2=C1C(=O)C3=C(C(=CC(=O)N3)C)C2=O"	0	""	""	2	2	"295934"	NA
"165604"	165604	"wln: g1vmr bg dg eg"	"ClCC(=O)Nc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	"32018"	"23595428"
"165707"	165707	"1,4-benzenediamine, n-9-acridinyl-, monohydrochloride"	"Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"24194215"	"37045344"
"165714"	165714	"9-acridinamine, n-(4-ethoxyphenyl)-, monohydrochloride"	"CCOc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	2	"2788193"	NA
"165715"	165715	"9-acridinamine, n-(4-methoxyphenyl)-, monohydrochloride"	"COc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"23621357"	"75651126"
"165757"	165757	"3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride"	"ClCCN1CCC2(CC1)SSC3(CCN(CCCl)CC3)S2"	0	""	""	1	1	"54610551"	NA
"165897"	165897	"1(2h)-quinolinecarbothioic acid, 2-cyano-6-methoxy-, s-e..."	"CCSC(=O)N1C(C=Cc2cc(OC)ccc12)C#N"	0	""	""	4	2	"296105"	"40448859"
"166130"	166130	""	"NNc1nncn1N"	0	NA	NA	2	1	"562205"	"55248209"
"166199"	166199	"phosphinic amide, p,p-bis(1-aziridinyl)-n-tricyclo[3.3.1..."	"O=P(NC12CC3CC(CC(C3)C1)C2)(N4CC4)N5CC5"	0	""	""	2	2	"64376"	"53743434"
"166224"	166224	"ethanol, 2,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2cccc(Cl)c2)cc1"	0	""	""	2	2	"24194260"	"56966928"
"166237"	166237	"ethanol, 2,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)ph..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(C)n3)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	1	1	"24194270"	"58423500"
"166240"	166240	"ethanol, 2,2'-[[3-chloro-4-[[[4-[2-(phenylmethyl)-4-thia..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc(cc2)c3csc(Cc4ccccc4)n3)c(Cl)c1"	0	""	""	2	2	"24194273"	"58423657"
"166291"	166291	"4-Thiocyanato-benzenesulfonamide"	"NS(=O)(=O)c1ccc(SC#N)cc1"	0	""	""	1	1	"296284"	NA
"166366"	166366	"thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoeth..."	"OCc1ccc(NCCN2CCCCC2)c3C(=O)c4ccccc4Sc13"	0	""	""	2	1	"72827"	"16140275"
"166381"	166381	"9h-thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-..."	"CN1CCN(CCNc2ccc(CO)c3Sc4ccccc4C(=O)c23)CC1"	0	""	""	2	1	"296321"	NA
"166382"	166382	"1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride"	"CCN(CC)CCN(C)c1ccc(CO)c2c1C(=O)c3ccccc3S2=O"	0	""	""	2	1	"54604257"	NA
"166395"	166395	""	"NCCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	2	1	"562287"	NA
"166454"	166454	"sorot"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34"	0	NA	NA	3	2	"562298"	"522510"
"166576"	166576	"7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,..."	"CS(=O)(=O)OCCN1CCC2(CC1)SSC3(CCN(CCOS(=O)(=O)C)CC3)S2"	0	NA	NA	1	1	"562315"	NA
"166588"	166588	"methylundecylpiperidine, trans"	"CCCCCCCCCCCC1CCCC(C)N1"	0	NA	NA	2	1	"440464"	"76094263"
"166616"	166616	"sulfonium, dimethyltetradecyl-, salt with 4-methylbenzen..."	"CCCCCCCCCCCCCC[S+](C)C"	0	""	""	1	1	"24194318"	NA
"166624"	166624	"benzamide, n-[5-(2-deoxy-.beta.-d-erythro-pentaofuranosy..."	"Cc1ccc(cc1)C(=O)NC2=NC(=O)N(C=N2)C3CC(O)C(CO)O3"	0	""	""	2	1	"296462"	NA
"166637"	166637	"5,6-dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	"FC(F)(F)c1nc2nc(Cl)c(Cl)nc2n1CCCN3CCOCC3"	0	""	""	1	1	"296473"	NA
"166638"	166638	"ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	"CCOC(=O)Cn1c(nc2nc(Cl)c(Cl)nc12)C(F)(F)F"	0	""	""	2	2	"296474"	NA
"166641"	166641	"aafc"	"OCC1OC2C(OC3=NC(=N)C(=CN23)F)C1O"	0	NA	NA	3	2	"562324"	"40505451"
"166675"	166675	"quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2ccc3ccccc3[n+]2C)c(OC)c1"	0	""	""	2	2	"6448044"	NA
"166679"	166679	"2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline"	"COc1cc(OC)c(\C=C\c2cnc3ccccc3n2)c(OC)c1"	0	""	""	1	1	"5925925"	NA
"167063"	167063	"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	"ClC(Cl)c1cnc(C#N)c(Cl)n1"	0	""	""	2	1	"296636"	NA
"167249"	167249	"1h-inden-1-one, 2-bromo-2,3-dihydro-2-methyl-"	"CC1(Br)Cc2ccccc2C1=O"	0	""	""	3	1	"296770"	"5728916"
"167268"	167268	"[(1E,3E)-4-nitro-4-phenylbuta-1,3-dienyl]benzene"	"[O-][N+](=O)\C(=C/C=C/c1ccccc1)\c2ccccc2"	0	""	""	2	2	"54598349"	"1152007"
"167406"	167406	"urson"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(=O)O"	0	NA	NA	6	2	"440986"	"77521"
"167452"	167452	""	"OC(=O)C1C2CC3C(OC(=O)C13)C2Br"	0	NA	NA	2	1	"441024"	NA
"167483"	167483	"4-[(E)-2-phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide"	"C(C[n+]1ccc(\C=C\c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	"54606622"	NA
"167550"	167550	"4,7-ethano-1h-indene-8,8,9,9-tetracarbonitrile, 3a,4,7,7..."	"N#CC1(C#N)C2C=CC(C3C=CCC23)C1(C#N)C#N"	0	""	""	3	1	"296973"	NA
"167780"	167780	"Asaley"	"CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C"	0	"A7"	""	15	9	"-1"	"3577897"
"167781"	167781	"dijodbenzotef"	"Ic1ccc(I)c(c1)C(=O)NP(=O)(N2CC2)N3CC3"	0	""	""	4	4	"98818"	"4460326"
"168221"	168221	"5h-pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (e..."	"CC(=O)OCCN1c2ccccc2Sc3cnccc13"	0	""	""	1	1	"297252"	NA
"168225"	168225	"2-benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine"	"C(N1N\C(=N\N=C\c2ccccc2)\N=N1)c3ccccc3"	0	""	""	2	2	"9562683"	"25857641"
"168411"	168411	"methanesulfinic acid, hydroxy-, monosodium salt, reactio..."	NA	0	NA	NA	2	1	"441512"	NA
"168415"	168415	"benzoxazole, 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluor..."	"Cc1cc2oc(C=C(C(F)(F)F)C(F)(F)F)nc2cc1C"	0	""	""	1	1	"297305"	NA
"168418"	168418	"malonic acid, (o-chlorobenzylidene)-, diethyl ester (8ci)"	"CCOC(=O)C(=Cc1ccccc1Cl)C(=O)OCC"	0	""	""	1	1	"297307"	"6768203"
"168466"	168466	"2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol"	"C\C(=N/N=C\1/Nc2ccccc2C=C1)\c3ccccc3O"	0	""	""	2	2	"135443554"	"59034569"
"168467"	168467	"2-[(E)-[methyl(2-quinolyl)hydrazono]methyl]phenol"	"CN(\N=C\c1ccccc1O)c2ccc3ccccc3n2"	0	""	""	1	1	"135443555"	"21119482"
"168468"	168468	"2-nitro-6-((quinolin-2(1h)-ylidenehydrazono)methyl)phenol"	"Oc1c(\C=N\N=C/2\Nc3ccccc3C=C2)cccc1[N+](=O)[O-]"	0	""	""	2	2	"135443556"	NA
"168470"	168470	""	"Oc1ccccc1\C=N\Nc2ccc3cccc(c3n2)[N+](=O)[O-]"	0	NA	NA	2	2	"441568"	"50984015"
"168516"	168516	"benzene, 1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-"	"COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1"	0	""	""	2	2	"297389"	"20306767"
"168597"	168597	"tributylchlorolead"	"CCCC[Pb](Cl)(CCCC)CCCC"	0	""	""	2	1	"25842"	"13302142"
"168905"	168905	"Phenyl prop-1-ynyl sulphone"	"CC#CS(=O)(=O)c1ccccc1"	0	""	""	1	1	"137626"	"2525419"
"169091"	169091	"tacaryl"	"CN1CCC(CN2c3ccccc3Sc4ccccc24)C1"	0	NA	NA	2	1	"562732"	"1229352"
"169434"	169434	"florid"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1"	0	""	"FDA approved"	1	1	"-1"	"22832877"
"169453"	169453	"pamelor"	"CNCCC=C1c2ccccc2CCc3ccccc13"	0	NA	NA	2	1	"562776"	"894713"
"169466"	169466	""	"CN(C)CC(C)(C)CN1c2ccccc2Sc3ccccc13"	0	NA	NA	1	1	"562778"	"2622460"
"169471"	169471	"etymemazine hydrochloride"	"CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1"	0	NA	NA	2	1	"562781"	"3737335"
"169517"	169517	"p-benzoquinone, 2-(5,7-dihydroxy-4-oxo-2-chromanyl)- 5-m..."	"COC1=CC(=O)C(=CC1=O)C2CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	2	2	"297961"	"1621858"
"169534"	169534	"adriamycin-dna hydrochloride"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	2	2	"562793"	NA
"169688"	169688	"coralyne, nor"	"COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3cc2cc1OC"	0	""	""	2	2	"5458376"	"23158192"
"169716"	169716	"2,7-nonadiyne-1,9-diamine, n,n,n',n'-tetrakis(2-chloroet..."	"ClCCN(CCCl)CC#CCCCC#CCN(CCCl)CCCl"	0	""	""	3	2	"54598368"	"53033800"
"169774"	169774	"bromocriptine methanesulfonate"	"CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C"	0	NA	NA	1	1	"442420"	NA
"169779"	169779	"icrf 186"	"C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	2	2	"298076"	"24613067"
"169780"	169780	"Dexrazoxane"	"C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	"TOP2|NonCan:Cardioprotective"	"FDA approved"	14	9	"-1"	"24584096"
"169930"	169930	""	"CC1=[N+](O)[Co]2(CCCN3CCOCC3)(N4CCCCC4)([N+](=C(C)C(=[N+]2O)C)O)[N+](=C1C)O"	0	NA	NA	1	1	"562900"	NA
"169936"	169936	""	"N.[Fe].C\C(=N/O)\C(=N\O)\C.C\C(=N/O)\C(=N\O)\C.c1c[nH]cn1"	0	NA	NA	1	1	"562906"	NA
"170006"	170006	"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene"	"COc1cc(cc(OC)c1OC)c2ccc3cc(OC)c(OC)c(OC)c3c2"	0	""	""	1	1	"298141"	"5320365"
"170105"	170105	"auromomycin"	NA	0	NA	NA	3	2	"442616"	NA
"170365"	170365	"Thiactin"	"CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)\C(=C/C)\NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O"	0	NA	NA	3	2	"563007"	"1393482"
"170669"	170669	"2-Nitroacridine"	"[O-][N+](=O)c1ccc2nc3ccccc3cc2c1"	0	""	""	1	1	"298500"	"29808819"
"170896"	170896	"Platinum, bis(aziridine)dichloro-"	"Cl[Pt](Cl)(N1CC1)N2CC2"	0	NA	NA	2	2	"563141"	"89887489"
"170983"	170983	"spiropitan"	"Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4"	0	NA	NA	2	2	"443252"	"749020"
"170984"	170984	"Pimozide"	"Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5"	0	"NonCan:Psy"	"FDA approved"	4	1	"-1"	"2062784"
"170992"	170992	""	"CN(C)CCCC1c2ccccc2Oc3ccc(cc13)C(F)(F)F"	0	NA	NA	2	1	"563190"	"18139338"
"171111"	171111	"[6-(4-Methylbenzoyl)-1,2,4,5-tetrazin-3-yl]-(4-methylphenyl)methanone"	"Cc1ccc(cc1)C(=O)c2nnc(nn2)C(=O)c3ccc(C)cc3"	0	""	""	1	1	"298782"	"20743797"
"171259"	171259	""	"OC(=O)c1cccc(F)c1C(=O)c2ccc3ccccc3c2"	0	NA	NA	1	1	"443487"	"2138785"
"171303"	171303	"QFPGKQYYQDTOFV-UHFFFAOYSA-N"	"[O-][N+](=O)c1cccc(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	""	2	1	"298930"	"64724885"
"172033"	172033	"phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-..."	"Oc1c(Cl)cc(cc1Cl)C(C(c2cc(Cl)c(O)c(Cl)c2)c3cc(Cl)c(O)c(Cl)c3)c4cc(Cl)c(O)c(Cl)c4"	0	""	""	1	1	"425241"	NA
"172599"	172599	"7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-6-hy..."	"NNc1c(C#N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	"299517"	"22256946"
"172614"	172614	"9h-purin-2-amine, 9-(2-deoxy-.beta.-d-erythro-pentofuran..."	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3C4CC(O)C(CO)O4)[N+](=O)[O-]"	0	NA	NA	2	2	"444212"	"61552429"
"172774"	172774	"acridinium, 3-amino-9-[[4-[[[4-[(aminoiminomethyl)amino]..."	"[Br-].[Br-].C[n+]1c2ccccc2c(Nc3ccc(NS(=O)(=O)CCCCNC(=N)N)cc3)c4ccc(N)cc14"	0	""	""	2	2	"24194755"	"63345255"
"172924"	172924	"brusatol"	"COC(=O)C12OCC34C(CC5C(=C(O)C(=O)CC5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)C=C(C)C)C24"	0	NA	NA	8	2	"444366"	"14907983"
"172946"	172946	"3-Desmethylcolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	3	3	"444386"	"7336336"
"173046"	173046	"diphenyllead diacetate"	"CC(=O)O[Pb](OC(=O)C)(c1ccccc1)c2ccccc2"	0	NA	NA	2	2	"563430"	"6928683"
"173516"	173516	"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(.alp..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(F)c(c2)C(F)(F)F"	0	NA	NA	2	2	"563492"	"18914835"
"173552"	173552	"l-aspartic acid, n-[4-[[(2-amino-4-hydroxy-6-quinazoliny..."	"Nc1nc(O)c2cc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	"563494"	"6113764"
"173778"	173778	"1,4-Biphenylene-bis(triphenylphosphonium) dibromide"	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(cc4)c5ccc(cc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	"54610386"	"10111270"
"173904"	173904	"carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)prop..."	"CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)CCl"	0	""	""	2	2	"299925"	NA
"173905"	173905	"pentanamide, 2-(acetylamino)-n-[3-chloro-2-oxo-1-(phenyl..."	"CC(C)CC(NC(=O)C)C(=O)NC(Cc1ccccc1)C(=O)CCl"	0	""	""	2	1	"299926"	NA
"173931"	173931	"mercury, phenyl(tribromomethyl)-"	"BrC(Br)(Br)[Hg]c1ccccc1"	0	""	""	2	2	"76801"	"3294608"
"174005"	174005	"2h-isoindole-2-acetic acid, .alpha.-(4-chloro-3-oxobutyl..."	"COC(=O)C(CCC(=O)CCl)N1C(=O)c2ccccc2C1=O"	0	""	""	3	1	"299982"	NA
"174030"	174030	"2-N-[3-(Diethylaminomethyl)-4-methoxyphenyl]-4-N-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine;hydrochloride"	"CCN(CC)Cc1cc(Nc2nc(NC3CCC(CC3)N(C)C)c4ccccc4n2)ccc1OC"	0	""	""	1	1	"54610390"	"76004552"
"174119"	174119	"cytochalasin a"	"CC1CCC(=O)C\C=C/C(=O)OC23C(\C=C\C1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O"	0	""	""	12	8	"5458383"	"14110646"
"174121"	174121	"Methotrexate Derivative"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)c4ccccc34"	0	"Df"	""	6	5	"-1"	NA
"174137"	174137	"benzenethiol, methyl-, mercury(2+) salt"	"[R]C.[R]S.c1ccccc1"	0	NA	NA	3	2	"563580"	NA
"174163"	174163	"Mercury, chloro-2-naphthalenyl-"	"Cl[Hg]c1ccc2ccccc2c1"	0	""	""	3	2	"425433"	"39966411"
"174176"	174176	"mercury, (acetyloxy)(pentamethylphenyl)-"	"CC(=O)O[Hg]c1c(C)c(C)c(C)c(C)c1C"	0	""	""	2	2	"16683786"	"56457411"
"174177"	174177	"wln: 1vo-hg-r b1 c1 e1 f1"	"CC(=O)O[Hg]c1c(C)c(C)cc(C)c1C"	0	""	""	3	3	"16683022"	"21450817"
"174218"	174218	"phenol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-..."	"CCC[Sn](Cl)(Cl)CCC.Oc1ccccc1\C=N\CC\N=C\c2ccccc2O"	0	""	""	1	1	"425443"	NA
"174280"	174280	"sodium butyrate"	"[Na+].CCCC(=O)O"	0	NA	NA	2	1	"563607"	"156547"
"174518"	174518	"1,4,3,5-oxathiadiazine-2,6-diamine, n,n'-dimethyl-n,n'-d..."	"CN(C1=NS(=O)(=O)N=C(O1)N(C)c2ccccc2)c3ccccc3"	0	""	""	1	1	"300190"	"40028351"
"174589"	174589	"iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1h-azepine-1-car..."	"CCOC(=O)N1C=CC2=C3C4=C1[Fe]234(C#O)(C#O)C#O"	0	NA	NA	3	2	"563682"	"12193690"
"174804"	174804	"heptanoic acid, 4,6-dioxo-"	"CC(=O)CC(=O)CCC(=O)O"	0	""	""	1	1	"5312"	"51568184"
"174892"	174892	"silver, (6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-o,o')-"	"CC(C)(C)C1=[O][Ag][O]=C(C1)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	1	1	"425550"	"76121998"
"174894"	174894	"erbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-..."	"CC(C)(C)C1=[O][Er]23([O]=C(CC(=[O]2)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)([O]=C(CC(=[O]3)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)[O]=C(C1)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	1	1	"425551"	"17978755"
"174923"	174923	"1h,5h-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione..."	"Cc1ccc(cc1)C2NC(=S)N3C(NC(=S)N23)c4ccc(C)cc4"	0	""	""	1	1	"3003864"	NA
"174939"	174939	"Elesclomol"	"CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c2ccccc2"	0	"PK:ROS1"	"Clinical trial"	2	2	"300471"	"488832695"
"174940"	174940	"propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-..."	"CN(NC(=O)CC(=O)NN(C)C(=S)c1ccc(Cl)cc1)C(=S)c2ccc(Cl)cc2"	0	""	""	1	1	"300472"	NA
"174941"	174941	"propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]..."	"COc1ccc(cc1)C(=S)N(C)NC(=O)CC(=O)NN(C)C(=S)c2ccc(OC)cc2"	0	""	""	1	1	"300473"	NA
"175074"	175074	"4-(Dipropylamino)-3,5-dinitrobenzamide"	"CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]"	0	""	""	1	1	"300481"	"36317950"
"175150"	175150	"rosamicin"	"CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C3(C)OC3C1C"	0	NA	NA	1	1	"445379"	"35834265"
"175151"	175151	"Cytochalasin E"	"C[C@H]1C\C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@@]24OC(=O)O\C=C\[C@@](C)(O)C1=O"	0	NA	NA	13	10	"445380"	"36011195"
"175202"	175202	"[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride"	"Brc1cccc(c1)C(=O)OCc2ccccc2CN3CCOCC3"	0	""	""	1	1	"24194965"	NA
"175203"	175203	"[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate"	"Brc1ccc(cc1)C(=O)OCc2ccccc2CN3CCOCC3"	0	""	""	1	1	"300500"	NA
"175274"	175274	"2h-indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-d..."	"N\N=C(\C=C\1/C(=O)Nc2ccccc12)/c3ccccc3"	0	""	""	2	2	"135426837"	"844633"
"175377"	175377	"cyclohexaneacetic acid, 4-[[[(2-chloroethyl)nitrosoamino..."	"OC(=O)C[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	3	1	"445433"	"52320895"
"175490"	175490	"iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp..."	"O#C[Fe]12345(SC(=S1)N(N6CCOCC6)N7CCOCC7)C8C2=C3C4=C58"	0	NA	NA	2	2	"563878"	NA
"175493"	175493	"iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy..."	"CN(C)C1=S[Fe]2345(S1)(C#O)C6C2=C3C4=C56"	0	NA	NA	2	2	"563881"	"12128653"
"175630"	175630	"6-Aminotoyocamycin"	"Nc1ncnc2c1c(C#N)c(N)n2C3OC(CO)C(O)C3O"	0	""	""	3	2	"300567"	"57071611"
"175633"	175633	"4(1h)-quinazolinone, 2-(2-chlorophenyl)-2,3-dihydro-"	"Clc1ccccc1C2NC(=O)c3ccccc3N2"	0	""	""	2	2	"300570"	"13324806"
"175634"	175634	"4(1h)-quinazolinone, 2,3-dihydro-2-(5-methyl-2-thienyl)-"	"Cc1ccc(s1)C2NC(=O)c3ccccc3N2"	0	""	""	1	1	"300571"	NA
"175635"	175635	"2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline"	"O=C1NC(Nc2ccccc12)c3cccc(OCc4ccccc4)c3"	0	""	""	2	2	"300572"	NA
"175636"	175636	"4(1h)-quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthale..."	"Clc1ccc2NC(NC(=O)c2c1)c3cccc4ccccc34"	0	""	""	2	2	"300573"	"34934082"
"175637"	175637	"STK677116"	"CCN(CC)c1ccc(cc1)C2NC(=O)c3ccccc3N2"	0	""	""	2	2	"300574"	NA
"175639"	175639	"4(1h)-naphthalenone, 2,3-dihydro-2-(2-methoxy-1-naphthal..."	"COc1ccc2ccccc2c1C3NC(=O)c4ccccc4N3"	0	""	""	2	2	"300576"	NA
"175996"	175996	"1-decanaminium, 10-(4-butoxyphenoxy)-n,n,n-trimethyl-, b..."	"CCCCOc1ccc(OCCCCCCCCCC[N+](C)(C)C)cc1"	0	""	""	2	2	"21144582"	"31657337"
"176098"	176098	"phosphonium, methyl[2-methyl-2-(4-methylphenyl)propyl]di..."	"Cc1ccc(cc1)C(C)(C)C[P+](C)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"20835892"	NA
"176245"	176245	"ferrocene, 1,1''-(dichlorostannylene)bis-"	"Cl[Sn](Cl)(C12C3=C4C5=C1[Fe]23456789C%10C6=C7C8=C9%10)C%11%12C%13=C%14C%15=C%11[Fe]%12%13%14%15%16%17%18%19C%20C%16=C%17C%18=C%19%20"	0	""	""	2	2	"6477718"	NA
"176323"	176323	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(OC)cccc5nc34)C2=O"	0	"TOP1"	""	5	3	"123617"	"39026921"
"176324"	176324	"Hydroxy AT 125"	"N[C@@H]([C@H]1ON=C(Cl)[C@@H]1O)C(=O)O"	0	""	""	10	2	"5351254"	NA
"176326"	176326	"9-Chloroellipticine"	"Cc1c2ccncc2c(C)c3c4cc(Cl)ccc4[nH]c13"	0	""	""	6	2	"300858"	NA
"176327"	176327	"ellipticine, 6-(3-aminopropyl)-9-methoxy-, dihydrochloride"	"COc1ccc2c(c1)c3c(C)c4cnccc4c(C)c3n2CCCN"	0	NA	NA	7	2	"564102"	"85632833"
"176328"	176328	"ellipticine, 6-(3-aminopropyl)-, dihydrochloride"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCN"	0	NA	NA	7	5	"564103"	NA
"176367"	176367	"9XTE4E1837"	"O=C(NC(=S)Nc1ccccn1)c2ccccc2"	0	""	""	1	1	"708470"	"4921862"
"176368"	176368	"ZX-AT026073"	"Oc1ccc(Br)cc1\C=N\C2CCCCC2"	0	""	""	1	1	"300886"	"78987549"
"176371"	176371	"2-(Benzenecarbonothioylamino)benzoic acid"	"OC(=O)c1ccccc1NC(=S)c2ccccc2"	0	""	""	1	1	"3886168"	NA
"176373"	176373	"N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide"	"O=C(NC(=S)NNC(=S)NNc1ccccc1)c2ccccc2"	0	""	""	1	1	"5033540"	"33949905"
"176389"	176389	"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one"	"Nc1ccccc1SC(CC(=O)c2ccccc2)c3c(Cl)cccc3Cl"	0	""	""	1	1	"300906"	"60246722"
"176392"	176392	"thiourea, n,n''-(4,5-dimethyl-1,2-phenylene)bis[n-phenyl-"	"Cc1cc(NC(=S)Nc2ccccc2)c(NC(=S)Nc3ccccc3)cc1C"	0	""	""	2	2	"4329919"	NA
"176503"	176503	"fastigilin b"	"CC1C(O)C2OC(=O)C(C)C2C(OC(=O)C=C(C)C)C3(C)C1C=CC3=O"	0	""	""	6	3	"442241"	NA
"176507"	176507	"fastigilin c"	"C[C@@H]1[C@@H](O)[C@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(=O)C=C(C)C)[C@@]3(C)[C@H]1C=CC3=O"	0	NA	NA	2	2	"445962"	"6995126"
"176555"	176555	"Ambivalon hydrochloride"	"C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc13"	0	NA	NA	1	1	"564143"	"4290602"
"176632"	176632	"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-"	"C[Sn](C)(C)SC(=S)N1CCOCC1"	0	""	""	2	2	"300936"	"35777925"
"176655"	176655	"benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-, (z)-"	"C1Oc2ccc(\C=C/c3oc4ccccc4n3)cc2O1"	0	""	""	2	2	"5351255"	NA
"176656"	176656	"4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cinnoline"	"COc1ccc(\C=C\c2cnnc3ccccc23)cc1OC"	0	""	""	1	1	"6418734"	NA
"176804"	176804	"1-octadecanaminium, n,n-bis(2-hydroxyethyl)-n-2-propenyl..."	"CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C"	0	""	""	2	1	"3086381"	"93894167"
"176878"	176878	"phosphonium, (diphenylmethyl)triphenyl-, bromide"	"c1ccc(cc1)C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5"	0	NA	NA	2	2	"564159"	"7333655"
"177365"	177365	"1-propanesulfonamide, 3-[(aminoiminomethyl)amino]-n-[4-[..."	"NC(=N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1"	0	NA	NA	3	3	"564206"	"63345175"
"177377"	177377	"Versimide"	"COC(=O)C(=C)N1C(=O)CC(C)C1=O"	0	NA	NA	2	2	"446178"	"30270178"
"177378"	177378	"anguidin"	"CC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@@]34CO4)C"	0	""	""	2	1	"91518"	"2270408"
"177382"	177382	"tunicamycin"	NA	0	NA	NA	2	2	"446183"	NA
"177383"	177383	"Tolypomycin Y"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4C(=O)C(=C\C(=N/C5CCC(O)OC5C)\c4c3C2=O)NC(=O)\C(=C/C(=O)C6CC6C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C"	0	NA	NA	3	2	"446184"	"23412262"
"177391"	177391	"meso-Tetra(p-sulfophenyl)porphine"	"OS(=O)(=O)c1ccc(cc1)c2c3C=Cc([nH]3)c(c4ccc(cc4)S(=O)(=O)O)c5ccc(n5)c(c6ccc(cc6)S(=O)(=O)O)c7ccc([nH]7)c(c8ccc(cc8)S(=O)(=O)O)c9ccc2n9"	0	NA	NA	1	1	"564215"	NA
"177407"	177407	"1h-imidazo[4,5-b]pyrazine, 5,6-dichloro-2-[3-(trifluorom..."	"FC(F)(F)c1cccc(c1)c2nc3nc(Cl)c(Cl)nc3[nH]2"	0	""	""	2	2	"5383615"	"58885113"
"177499"	177499	"tomaymycin"	"COC1Nc2cc(O)c(OC)cc2C(=O)N3C\C(=C\C)\C[C@H]13"	0	NA	NA	9	3	"446285"	"35050556"
"177697"	177697	"cupric diethyldithiocarbamate"	"CCN(CC)C1=S[Cu]2(SC(=S2)N(CC)CC)S1"	0	""	""	2	2	"26180"	"13681873"
"177845"	177845	"7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3..."	"BrCC(=O)N1CCC2(CC1)SSC3(CCN(CC3)C(=O)CBr)S2"	0	""	""	1	1	"301256"	NA
"177851"	177851	"zaluzanin c"	"OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C"	0	NA	NA	2	2	"564363"	"16838872"
"177881"	177881	"STL553706"	"O=C1OC(=N/C/1=C\c2cccnc2)c3ccccc3"	0	""	""	1	1	"1551558"	"5086431"
"177989"	177989	"AAJYCHBLTARBTA-SOFGYWHQSA-N"	"CCOC(=O)\C=C\c1ccc([nH]1)C(=O)OCC"	0	""	""	1	1	"5383641"	NA
"178002"	178002	"pyrrolo[2,3-g]indazole-7-carboxylic acid, 2,4,5,6-tetrah..."	"CCOC(=O)c1c(C)c2c(CCc3c[nH]nc23)n1C"	0	""	""	2	1	"301367"	NA
"178010"	178010	"naphthalenedione, 5-chloro-8-hydroxy-"	"Oc1ccc(Cl)c2C(=O)C=CC(=O)c12"	0	""	""	2	2	"301371"	"52431591"
"178123"	178123	"8-quinolinol, 5-chloro-7-[[[3-(1-pyrrolidinyl)propyl]ami..."	"Oc1c(CNCCCN2CCCC2)cc(Cl)c3cccnc13"	0	""	""	2	2	"54607044"	NA
"178248"	178248	"Chlorozotocin"	"OCC(O)C(O)C(O)C(NC(=O)N(CCCl)N=O)C=O"	0	"A7"	""	13	9	"-1"	"54749905"
"178249"	178249	"5-ms"	"COc1ccc(O)c2C(=O)c3c(OC)cc4O[C@H]5OC=C[C@H]5c4c3Oc12"	0	NA	NA	7	6	"446504"	"22897081"
"178260"	178260	"salasdine"	"CC1CCC2(NC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C"	0	NA	NA	1	1	"564401"	"126170"
"178262"	178262	"fluopsin c"	"CN1O[Cu]2(ON(C)C=S2)S=C1"	0	""	""	2	1	"169285"	"31323258"
"178264"	178264	"fluopsin n"	"CN1O[Ni]2(ON(C)C=S2)S=C1"	0	NA	NA	2	2	"564404"	"31541909"
"178296"	178296	"mato"	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]"	0	NA	NA	2	2	"446537"	"50657"
"178847"	178847	""	"CN(C)CCC(=O)\C=C\c1ccccc1"	0	NA	NA	1	1	"564414"	"59512491"
"179074"	179074	"lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-s,s']..."	"N#CCCN(C1CCCCC1)C2=S[Pb]3(SC(=S3)N(CCC#N)C4CCCCC4)S2"	0	NA	NA	2	2	"564426"	NA
"179187"	179187	"salasdine"	"CC1CCC2(NC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C"	0	NA	NA	3	2	"564434"	"126170"
"179201"	179201	"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate"	"CC(=O)Oc1cc2ccc3c4cc(OC(=O)C)c(OC(=O)C)cc4cnc3c2cc1OC(=O)C"	0	""	""	1	1	"301457"	"54785181"
"179207"	179207	"benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-..."	"COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC"	0	""	""	2	2	"12201866"	"54824963"
"179220"	179220	"benzothiazolium 3-methyl-2-[4-(1-piperidinyl)-1,3-butadi..."	"C[n+]1c(\C=C\C=C\N2CCCCC2)sc3ccccc13"	0	""	""	2	2	"135539594"	NA
"179365"	179365	"Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-"	"O=C(\C=C\c1ccc(cc1)C#N)c2ccccc2"	0	NA	NA	2	2	"446679"	"5724550"
"179485"	179485	"brevicid"	"Oc1ccc(\C=C(/[N+]#[C-])\C(=C\c2ccc(O)cc2)\[N+]#[C-])cc1"	0	NA	NA	2	2	"564468"	"580745"
"179496"	179496	"5,6-dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine"	"CCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1"	0	""	""	1	1	"5383666"	NA
"179834"	179834	"Withanolide E"	"CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	NA	NA	2	2	"446985"	"38254158"
"179940"	179940	"wln: t56 bnonj bo fnw i- at6n dntj d1"	"CN1CCN(CC1)c2ccc(c3no[n+]([O-])c23)[N+](=O)[O-]"	0	NA	NA	2	2	"447048"	"58131570"
"179945"	179945	"1h-pyrazole-1-ethanol, 4,4'-azoxybis(3,5-dimethyl-"	"Cc1nn(CCO)c(C)c1N=[N+]([O-])c2c(C)nn(CCO)c2C"	0	""	""	2	2	"301772"	"7171688"
"180198"	180198	"hydrazinecarbothioamide, 2,2'-(1,5-dimethyl-1,5-pentaned..."	"CNC(=S)N\N=C(\C)/CCC\C(=N/NC(=S)NC)\C"	0	NA	NA	2	2	"447081"	"18667260"
"180260"	180260	"quinolinium, 1-methyl-4-[2-(2,4,5-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2cc[n+](C)c3ccccc23)cc1OC"	0	NA	NA	1	1	"564525"	NA
"180510"	180510	"daunorubicineal"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)O"	0	NA	NA	10	6	"564526"	NA
"180525"	180525	"Sangivamycin, 6-aminothio-"	"NC(=S)c1c(N)n(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	""	""	2	2	"4033014"	"57071586"
"180966"	180966	"Agn-PC-0NI2ET"	"CC(=O)Oc1cc2ccc3c4cc(OC(=O)C)c(OC(=O)C)cc4c[n+](C)c3c2cc1OC(=O)C"	0	""	""	2	2	"12201865"	"54785205"
"180973"	180973	"Tamoxifen"	"CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3"	0	"Ho|SERM"	"FDA approved"	29	3	"-1"	"54965241"
"181099"	181099	""	"Oc1ccccc1\C=N\Nc2ccc3ccccc3n2"	0	NA	NA	1	1	"447271"	"2746556"
"181486"	181486	"Trigilletine"	"COc1ccc2CC3NCCc4cc5Oc6c(OC)cc7CCN(C)C(Cc8ccc(Oc1c2)cc8)c7c6Oc5cc34"	0	""	""	2	1	"301935"	NA
"181500"	181500	"1-[4-[(E)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride"	"CC\C(=N/NC(=N)N)\c1ccc(NC(=O)Nc2ccc(cc2)\C(=N\NC(=N)N)\CC)cc1"	0	""	""	1	1	"54600368"	NA
"182855"	182855	"Eriolangin"	"C\C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)CO)OC(=O)C2=C"	0	""	""	2	2	"5281445"	"52617353"
"182986"	182986	"AZQ"	"CCOC(=O)NC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NC(=O)OCC"	0	"A7"	""	54	44	"-1"	"57998682"
"184398"	184398	"aquayamycin"	"CC1OC(CC(O)C1O)c2ccc3C(=O)C4=C(C=CC5(O)CC(C)(O)CC(=O)C45O)C(=O)c3c2O"	0	NA	NA	2	1	"447441"	"26055630"
"184403"	184403	"5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride"	"[Cl-].[Cl-].C[n+]1cc2cc(O)c(O)cc2c3ccc4cc(O)c(O)cc4c13.c5ccncc5"	0	""	""	2	1	"5351258"	NA
"184692"	184692	"Aminopterin Derivative"	"CCc1c(CNc2ccc(cc2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	"Df"	""	4	4	"426244"	NA
"184734"	184734	"cucurbitacin i, 2-glucoside"	NA	0	NA	NA	1	1	"447483"	NA
"184849"	184849	"Mebendazole"	"COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3"	0	"Tu-stab"	"FDA approved"	2	2	"-1"	"31431397"
"185042"	185042	"hydrazinecarbothioamide, 2-[[5-(heptafluoropropyl)-1-iso..."	"NC(=S)N\N=C\c1nccc2c(cccc12)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	2	"5995822"	"31181052"
"185049"	185049	"hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridiny..."	"CCC(=O)Oc1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	"9556312"	"51984204"
"185054"	185054	"acetic acid, (4-chlorophenoxy)-, 6-[[(aminothioxomethyl)..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccc(Cl)cc2)cn1"	0	""	""	1	1	"9556337"	"51984306"
"185055"	185055	"[6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate"	"NC(=S)N\N=C\c1ccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)cn1"	0	""	""	1	1	"9560945"	"51984328"
"185056"	185056	"acetic acid, (2-chlorophenoxy)-, 6-[[(aminothioxomethyl)..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccccc2Cl)cn1"	0	""	""	2	1	"5351259"	"51984293"
"185057"	185057	"acetic acid, phenoxy-, 6-[[(aminothioxomethyl)hydrazono]..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccccc2)cn1"	0	""	""	1	1	"9555563"	"51984271"
"185060"	185060	"hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methy..."	"Oc1ccc(\C=N\NC(=S)Nc2ccccc2)nc1"	0	""	""	1	1	"135443615"	"51984408"
"185062"	185062	"hydrazinecarbothioamide, n-2-pyridinyl-2-(2-pyridinylmet..."	"S=C(N\N=C\c1ccccn1)Nc2ccccn2"	0	""	""	1	1	"9555487"	"51984135"
"185065"	185065	"hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methy..."	"Oc1ccc(\C=N\NC(=S)Nc2cccnc2)nc1"	0	""	""	2	2	"135443616"	NA
"185169"	185169	"6-chlorotetrazolo[4,5-b]pyridazine"	"Clc1ccc2nnnn2n1"	0	""	""	1	1	"302231"	"21413150"
"186266"	186266	"pyrrolidinium, 1-ethyl-1-hexadecyl-, ethyl sulfate"	"CCCCCCCCCCCCCCCC[N+]1(CC)CCCC1"	0	""	""	2	2	"21144597"	NA
"186301"	186301	"Thiocolchicine"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	"TUBB"	""	6	3	"17648"	"2730714"
"186945"	186945	"quinolinium, 1-methyl-4-[2-(2,4,6-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2cc[n+](C)c3ccccc23)c(OC)c1"	0	""	""	1	1	"20832445"	NA
"187546"	187546	"ethanimidamide, 2-chloro-n-(tricyclo[3.3.1.1(3,7)]dec-1-..."	"ClCC(=N)NCC12CC3CC(CC(C3)C1)C2"	0	""	""	1	1	"12470660"	"22545591"
"187675"	187675	"antineoplastic-187675"	"O[As](=O)(O)c1cc(ccc1c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	"302501"	NA
"187694"	187694	"Methylene Violet"	"CN(C)c1ccc2N=C3C=CC(=O)C=C3Sc2c1"	0	""	""	2	2	"73024"	"2516054"
"188491"	188491	"sma-491 (free base of nsc d742838)"	"NNc1c(C(=O)N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	4	2	"302576"	NA
"188493"	188493	""	"Oc1ccc(NC(=O)CI)c2ccccc12"	0	NA	NA	2	2	"448092"	"6683632"
"189487"	189487	"Funiferine"	"COc1cc2CCN(C)C3Cc4ccc(OC)c(c4)c5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O"	0	""	""	1	1	"426395"	NA
"189793"	189793	"streptovaricin a"	"COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@@](C)(O)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\[C@@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(=O)C)\C"	0	NA	NA	2	1	"448125"	"23344163"
"191384"	191384	"STK149128"	"Cc1cc(C)c(NC(=O)\C=C\c2ccccc2)c(C)c1"	0	""	""	1	1	"966731"	NA
"191390"	191390	"7160AJ"	"Clc1ccccc1NC(=O)\C=C\c2ccccc2"	0	""	""	1	1	"765318"	"73108799"
"191909"	191909	".alpha.-chloro-n-(p-methoxyphenyl)succinimide"	"COc1ccc(cc1)N2C(=O)CC(Cl)C2=O"	0	""	""	1	1	"99724"	"36342139"
"191924"	191924	""	"CCCCCCCCCCCC[N+](=C1SCCS1)CCCCCCCCCCCC"	0	NA	NA	1	1	"565056"	NA
"191959"	191959	"michicarcin"	NA	0	NA	NA	1	1	"449211"	NA
"191961"	191961	"Dihydrocoralyne sulfoacetate"	"COc1cc2CC[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC.OS(=O)(=O)CC(=O)[O-]"	0	NA	NA	1	1	"565068"	NA
"192737"	192737	"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate"	"CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(=O)C)C4(C)OC(=O)CC23)C1"	0	""	""	1	1	"303610"	NA
"192744"	192744	"Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)"	"CCCCCCCCCCCCCC(=O)O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O"	0	""	""	1	1	"303617"	"51801275"
"192965"	192965	"Spirogermanium"	"[Cl-].CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1"	0	NA	NA	15	2	"565093"	"41992227"
"193028"	193028	""	"Cc1n[n+]([O-])c(C)cc1[N+](=O)[O-]"	0	NA	NA	1	1	"565111"	"57599505"
"193457"	193457	"2-(Methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride"	"CNC\C(=N\S(=O)(=O)c1ccc(C)cc1)\Cl"	0	""	""	1	1	"303792"	NA
"193771"	193771	"Methyltris(2-methylphenyl)phosphanium bromide"	"Cc1ccccc1[P+](C)(c2ccccc2C)c3ccccc3C"	0	""	""	1	1	"24195677"	"61249249"
"194124"	194124	"piperidinium, 1,1-didodecyl-3-methyl-, bromide"	"CCCCCCCCCCCC[N+]1(CCCCCCCCCCCC)CCCC(C)C1"	0	""	""	2	2	"21144608"	NA
"194126"	194126	"1,4'-bipiperidine, 1'-decyl-, monohydrochloride"	"CCCCCCCCCCN1CCC(CC1)N2CCCCC2"	0	""	""	2	2	"21144609"	NA
"194270"	194270	"Cadmium;2-diphenylphosphorylacetic acid"	"O=C1CP(=[O][Cd]2(OC(=O)CP(=[O]2)(c3ccccc3)c4ccccc4)O1)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"426571"	NA
"194271"	194271	""	"N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC45CC6CC(CC(C6)C4)C5"	0	NA	NA	1	1	"565236"	"37764446"
"194350"	194350	"euchrysine"	"CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C"	0	""	""	2	2	"62344"	"494382"
"194598"	194598	"indeno[1,2,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1..."	"[O-][n+]1c(CN2CCCCC2)nc3cccc4c5ccccc5c1c34"	0	""	""	1	1	"3246550"	"5358769"
"194617"	194617	"Isoquinocycline A, Hydrochloride"	"CC(O)C1(O)C(O)CC(OC2c3cc4C(=O)c5c(O)cccc5C(=O)c4c(O)c3[C@@H]6C[C@@]2(C)OC67C=C8C=CNC8=N7)OC1C"	0	NA	NA	3	2	"565281"	NA
"194618"	194618	"Tetrangulol"	"Cc1cc(O)c2c3C(=O)c4cccc(O)c4C(=O)c3ccc2c1"	0	""	""	2	2	"99188"	"7414928"
"195327"	195327	"4-appt"	"NC(=S)N\N=C\c1cc(ccn1)c2cccc(N)c2"	0	NA	NA	2	2	"450016"	"52583843"
"195922"	195922	"1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol"	"CCc1ncc(n1Cc2ccccc2)C(C)(O)c3ccccc3"	0	""	""	1	1	"304284"	NA
"196473"	196473	"Ametantrone"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"2134"	"64862960"
"196524"	196524	"e-rhodomycinone"	"CCC1(O)CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1C(=O)OC"	0	NA	NA	2	1	"565392"	"21288608"
"196539"	196539	"1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1O"	0	""	""	1	1	"6039866"	NA
"196550"	196550	"Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury"	"CC(=O)O[Hg]c1c(N)c(C)cc(C)c1F"	0	""	""	2	2	"16683793"	"484639"
"196593"	196593	"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(C)OC1C=C2"	0	""	""	1	1	"304499"	"18064045"
"200692"	200692	"Aspiculamycin hcl"	"[Cl-].CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(O)C(O)C(OC1C(=O)N)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	"565458"	NA
"201239"	201239	"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid"	"OC(=O)\C=C\C1=CNC(=O)NC1=O.OC(=O)\C=C\C2=CNC(=O)NC2=O"	0	""	""	5	2	"5383837"	NA
"201241"	201241	"methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate"	"CCCCSCC(NC(=O)\C=C\C1=C(C)NC(=O)NC1=O)C(=O)OC"	0	""	""	6	5	"5383838"	NA
"201290"	201290	"cytosine, 1.beta.-d-arabinofuranosyl-n(sup 4)-stearoyl-"	"CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	4	4	"304673"	"55726448"
"201434"	201434	"Maybridge1_003242"	"Clc1ccc(cc1)\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	1	1	"135452426"	"57743303"
"201438"	201438	"3-(1,3-benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one"	"Brc1ccc2NC(=O)\C(=N/c3ccc4OCOc4c3)\c2c1"	0	""	""	1	1	"135452427"	NA
"201459"	201459	"1h-indol-2-one, 5-bromo-2,3-dihydro-3-[[(4-methoxyphenyl..."	"COc1ccc(cc1)C(=O)\C=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	2	1	"6509922"	NA
"201618"	201618	"benzoic acid, 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-t..."	"CCOC(=O)c1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C#N)cc1"	0	""	""	2	2	"304896"	NA
"201628"	201628	"carbonic dihydrazide, bis[(3,5-dibromo-2-hydroxyphenyl)m..."	"Oc1c(Br)cc(Br)cc1\C=N\NC(=O)N\N=C\c2cc(Br)cc(Br)c2O"	0	""	""	1	1	"135452432"	NA
"201631"	201631	"benzoic acid, 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-t..."	"CCOC(=O)c1ccc(Nc2sc(C(=O)c3cccc(c3)[N+](=O)[O-])c(N)c2C#N)cc1"	0	""	""	2	2	"304907"	NA
"201646"	201646	"D 4735"	"CN1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	1	1	"99221"	"14318399"
"201656"	201656	"Maybridge1_005792"	"CC(=O)ON1C(=O)c2cccc3cccc(C1=O)c23"	0	""	""	1	1	"304928"	NA
"201724"	201724	"Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide"	"C[P+](c1ccccc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	"24195814"	"81542361"
"201835"	201835	"ZX-AP012572"	"Oc1ccc(Br)cc1\C=N\c2cccc(c2)C(F)(F)F"	0	""	""	1	1	"305092"	"75854216"
"201857"	201857	"[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate"	"COc1cc(\C=N\Nc2ccccc2)ccc1OC(=O)c3ccccc3"	0	""	""	2	2	"5712309"	NA
"201863"	201863	"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide"	"CC(NC(=O)c1ccc(Cl)c(Cl)c1)c2ccc(cc2)c3ccccc3"	0	""	""	1	1	"305114"	NA
"201868"	201868	"N-[[4-(dimethylamino)benzylidene]amino]quinoline-3-carboxamide"	"CN(C)c1ccc(\C=N\NC(=O)c2cnc3ccccc3c2)cc1"	0	""	""	1	1	"5771657"	NA
"201873"	201873	"9(10H)-anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	"[O-][N+](=O)c1ccc(NN=C2c3ccccc3Cc4ccccc24)c(c1)[N+](=O)[O-]"	0	""	""	2	2	"305123"	NA
"202000"	202000	"(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one"	"Clc1ccc(\C=C\2/N=C(OC2=O)c3occc3)cc1Cl"	0	""	""	1	1	"5351262"	NA
"202003"	202003	"BRD-K72253399-001-01-0"	"CCc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N"	0	""	""	2	2	"5716877"	NA
"202062"	202062	"(Z)-2-(4-bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile"	"CN(CCC#N)c1ccc(\C=C(/C#N)\c2ccc(Br)cc2)cc1"	0	""	""	1	1	"5908264"	NA
"202386"	202386	"benzamide, 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-n-[4-..."	"[O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+](=O)[O-])c2c1"	0	""	""	2	2	"5236119"	"53221753"
"202554"	202554	"2-propynoic acid, 2-butyne-1,4-diyl ester"	"O=C(OCC#CCOC(=O)C#C)C#C"	0	""	""	1	1	"305546"	NA
"202858"	202858	"Stannane, dibutyldithiocyanato-"	"CCCC[Sn](CCCC)(SC#N)SC#N"	0	""	""	2	2	"9569306"	"23654184"
"203017"	203017	"W-200183"	"CC(=O)c1ccc(s1)c2ccc(s2)C(=O)C"	0	""	""	1	1	"305890"	"18494730"
"203308"	203308	"8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide"	"Cc1ccc2cc1[Hg]CCOS2(=O)=O"	0	""	""	1	1	"426927"	NA
"204232"	204232	"n,n'-bis(3-nitrophenyl)benzene-1,3-dicarboxamide"	"[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(c3)[N+](=O)[O-])c1"	0	""	""	2	2	"306548"	NA
"204667"	204667	"4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide"	"NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1"	0	""	""	1	1	"306968"	"76393367"
"204682"	204682	"4-methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol"	"COc1ccc(O)c(\C=N\Nc2ccccc2)c1"	0	""	""	1	1	"135491062"	NA
"204686"	204686	"hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-"	"C\C(=N/NC(=S)N)\c1ccc2ccccc2c1"	0	""	""	1	1	"5418163"	NA
"204985"	204985	"Sterigmatocystin"	"COc1cc2O[C@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14"	0	NA	NA	5	5	"124690"	"10048132"
"205098"	205098	"spiro(furan-2(5h),3'-(3h)indole)-2'(1'h),5-dione, 3,4-di..."	"CN1C(=O)C2(CC(=C)C(=O)O2)c3cc(I)ccc13"	0	""	""	2	2	"307241"	"77547092"
"205105"	205105	"isoquinaldaldehyde, 5-amino-, thiosemicarbazone (8ci)"	"NC(=S)N\N=C\c1nccc2c(N)cccc12"	0	NA	NA	2	2	"124754"	"20335573"
"205357"	205357	"4-amino-1-methyl-1H-imidazole-5-carboselenoamide"	"Cn1cnc(N)c1C(=[Se])N"	0	""	""	3	2	"6327894"	NA
"205506"	205506	"benzoic acid, 2-(methylamino)-, (3-phenyl-2-propenyliden..."	"CNc1ccccc1C(=O)N\N=C\C=C\c2ccccc2"	0	""	""	2	2	"9615408"	NA
"205555"	205555	"butanoic acid, 2,3-dibromo-4-[(5-chloro-2-methoxyphenyl)..."	"COc1ccc(Cl)cc1NC(=O)C(Br)C(Br)C(=O)O"	0	""	""	2	2	"307450"	NA
"205795"	205795	"benzoic acid, 4-[[(2-thiazolylamino)carbonyl]amino]-, et..."	"CCOC(=O)c1ccc(NC(=O)Nc2nccs2)cc1"	0	""	""	2	2	"307683"	"69123451"
"205862"	205862	"N-(4-chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	"Cc1ccc(C)c(NC(=O)NCc2ccc(Cl)cc2)c1"	0	""	""	2	1	"307746"	NA
"206381"	206381	"2-(4-Chlorophenoxy)-1-methyl-imidazole"	"Cn1ccnc1Oc2ccc(Cl)cc2"	0	""	""	1	1	"307940"	NA
"207111"	207111	"5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione"	"CC(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	5	2	"6284909"	"57412574"
"207895"	207895	"wln: t56 bnonj bo fnw i- at6n dntj d1"	"CN1CCN(CC1)c2ccc(c3no[n+]([O-])c23)[N+](=O)[O-]"	0	NA	NA	2	2	"125690"	"58131570"
"207896"	207896	""	"CNC(=S)N\N=C\CSC\C=N\NC(=S)NC"	0	NA	NA	2	2	"125691"	"29195468"
"208652"	208652	"2,4-quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl..."	"Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1"	0	NA	NA	3	2	"125713"	"52128435"
"208706"	208706	"STK312947"	"COC(=O)C(=O)CC(=O)c1cccc(OC)c1"	0	""	""	1	1	"308120"	NA
"208731"	208731	"Isodiospyrin"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1c3c(C)cc4C(=O)C=CC(=O)c4c3O"	0	""	""	2	2	"99298"	"20175842"
"208733"	208733	"ramentaceone"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1"	0	NA	NA	2	2	"125749"	"14787383"
"208734"	208734	"aclarubicin"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC"	0	"TOP2"	"FDA approved"	27	3	"-1"	"57576440"
"208746"	208746	""	"NC(=S)NN=C1CSSC1"	0	NA	NA	1	1	"125758"	"1919693"
"208885"	208885	""	"COc1ccc2C=C([S+](C)C(c3ccccc3)c2c1)c4ccccc4"	0	NA	NA	1	1	"566060"	"53844363"
"208914"	208914	"cc 9106"	"CCOC(=O)CNC(=O)NC12CC3CC(CC(C3)C1)C2"	0	NA	NA	5	1	"125850"	"33205720"
"208915"	208915	"cc 9147"	"CCOC(=O)CN(CC)C(=O)NC12CC3CC(CC(C3)C1)C2"	0	""	""	5	1	"308224"	"33205764"
"208916"	208916	"(Z)-N-[1-hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	"CSCSCC(CO)NC(=O)\C(=C/C1=C(C)NC(=O)NC1=O)\C"	0	""	""	5	1	"54600364"	NA
"208959"	208959	"itir"	"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O"	0	NA	NA	5	2	"125866"	"66024"
"209759"	209759	"Thalictropine"	"COc1cc2CCN(C)C3Cc4cc(Oc5cc(OC)c(OC)cc5CC6N(C)CCc7cc(OC)c(OC)cc67)c(OC)cc4c(c1O)c23"	0	""	""	1	1	"427204"	"39032605"
"209835"	209835	"zygosporin a"	"CC1C\C=C\C2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)\C=C/C(C)(O)C1=O"	0	NA	NA	15	13	"566131"	"22144770"
"209870"	209870	"a 31438"	"CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C"	0	""	""	5	1	"308371"	"34698889"
"209926"	209926	"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-"	"CC(N1C(=O)CSC1=S)c2ccccc2"	0	""	""	2	2	"99773"	"23538081"
"209931"	209931	"4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol"	"Clc1c(Cl)c(Cl)c(CSC2=NC(=S)NC(=O)N2)c(Cl)c1Cl"	0	""	""	2	2	"3003880"	NA
"210236"	210236	"Crassin"	"CC1CC(O)\C=C(/C)\CC\C=C(\C)/CC(O)C2CC1OC(=O)C2=C"	0	""	""	2	2	"5357909"	NA
"210486"	210486	"SSA8WX9HQB"	"Cc1nc(N)nc(N)c1CCCc2ccccc2"	0	""	""	1	1	"308637"	"3977171"
"210717"	210717	"9 ohe hcl"	"[Cl-].Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13"	0	NA	NA	5	5	"566203"	"76448458"
"210739"	210739	"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea"	"NC(=O)NOCC1NC(=O)NC1=O"	0	""	""	1	1	"308721"	"53459362"
"210753"	210753	"19-Formylgeldanamycin tert-butylimine"	"COC1CC(C)CC2=C(OC)C(=O)C(=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O)\C=N\C(C)(C)C"	0	""	""	5	4	"135476731"	"62177100"
"210761"	210761	"Streptovaricin A diacetate"	"COC(=O)C1C(O)C(C)C(O)C(C)(O)\C=C\C=C(/C)\C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\C(C)(O)C(O)C(C)C1OC(=O)C)\C.CC(=O)O"	0	""	""	5	1	"135539673"	NA
"210924"	210924	"2,4-pyrimidinediamine, 6-[(bromotrichlorophosphoranyl)me..."	"Nc1nc(N)c(c(CP(Cl)(Cl)(Cl)Br)n1)c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"308827"	NA
"211193"	211193	"N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	"309044"	"17400361"
"211332"	211332	"2,4-Diaminohexahydropyrimidine-5-carbonitrile"	"Nc1ncc(C#N)c(N)n1"	0	""	""	1	1	"309160"	NA
"211370"	211370	"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid"	"Cc1nc(N)nc(N)c1CCCCc2ccc(N)cc2"	0	""	""	1	1	"309191"	NA
"211488"	211488	"pyrano[3,2-c]benzopyran-5-one, 4-(1,3-benzodioxol-5-yl)-..."	"COc1ccc(cc1OC)C2=CC(C3=C(O2)c4ccccc4OC3=O)c5ccc6OCOc6c5"	0	""	""	2	2	"309279"	NA
"211489"	211489	"2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	"COc1ccc(cc1OC)C2C=C(OC3=C2C(=O)Oc4ccccc34)c5ccc6OCOc6c5"	0	""	""	2	2	"309280"	NA
"211490"	211490	"4h,5h-pyrano[3,2-c][1]benzopyran-5-one, 2,4-bis(3,4-dime..."	"COc1ccc(cc1OC)C2C=C(OC3=C2C(=O)Oc4ccccc34)c5ccc(OC)c(OC)c5"	0	""	""	2	2	"309281"	NA
"211500"	211500	"nagilactone c"	"CC(C)C1=C2C(O)C3OC(=O)C4(C)C(O)C5OC5C(C)(C34)C2=CC(=O)O1"	0	NA	NA	5	2	"566347"	"24338532"
"212068"	212068	"2-Chloro-4-[[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride;bromide"	"FS(=O)(=O)c1ccc(C[n+]2cccc(NC(=O)COc3ccc(Cl)c(Cl)c3)c2)cc1Cl"	0	""	""	1	1	"24196248"	"25480733"
"212143"	212143	"2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-"	"Nc1nc(N)c(CCCCc2ccccc2)c(\C=C\c3ccc(cc3)[N+](=O)[O-])n1"	0	""	""	1	1	"5930201"	"17005355"
"212183"	212183	"IQF5NPS3ZY"	"Nc1nc(N)c(CCCCc2ccccc2)c(C=O)n1"	0	""	""	1	1	"309754"	"17005344"
"212446"	212446	"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine"	"Nc1nc(N)c(CCCCc2ccc(cc2)[N+](=O)[O-])c(N)n1"	0	""	""	2	2	"309981"	NA
"212509"	212509	"withanolide e, 4-b-hydroxy-"	"CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	""	""	4	3	"73621"	"54334042"
"213989"	213989	"1-(2-fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea"	"Fc1ccccc1NC(=O)Nc2ccc3NC(=S)Sc3c2"	0	""	""	1	1	"3003893"	NA
"215139"	215139	"Bikaverin"	"COC1=CC(=O)c2c(O)c3C(=O)c4c(C)cc(OC)cc4Oc3c(O)c2C1=O"	0	""	""	4	2	"36433"	"33390215"
"215153"	215153	"dichloro(4,5-dimethyl-o-phenylenediamine)platinum(ii)"	"Cc1cc2N[Pt](Cl)(Cl)Nc2cc1C"	0	NA	NA	2	2	"566648"	"40580754"
"215254"	215254	"Liriodenine"	"O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35"	0	NA	NA	1	1	"128434"	"475752"
"215721"	215721	"3-bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide"	"Oc1ccc(Cl)cc1NC(=S)NC(=O)c2cccc(Br)c2"	0	""	""	1	1	"3967840"	NA
"215999"	215999	"2-chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide"	"COc1ccc(OC)c(c1)N(CCN2C(=O)c3ccccc3C2=O)C(=O)CCl"	0	""	""	2	2	"310867"	"20406648"
"216128"	216128	"borrelidin"	"CC1CC(C)CC(C)C(O)\C(=C\C=C\CC(OC(=O)CC(O)C(C)C1)C2CCCC2C(=O)O)\C#N"	0	NA	NA	6	2	"128778"	"7184603"
"216135"	216135	"Fotretamine"	"C1CN(CCO1)p2(np(np(n2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7"	0	""	""	2	2	"65800"	"37132722"
"216183"	216183	"1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea"	"Cc1ccc(cc1NC(=O)Nc2cccc(F)c2)[N+](=O)[O-]"	0	""	""	1	1	"310951"	NA
"217697"	217697	"quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-"	"CC1=CC(C)(C)Nc2ccc(Cc3ccc4NC(C)(C)C=C(C)c4c3)cc12"	0	""	""	1	1	"99342"	"41208075"
"218321"	218321	"Pentostatin"	"OCC1OC(CC1O)n2cnc3[C@H](O)CNC=Nc23"	0	"Ds|AM|ADA"	"FDA approved"	53	3	"-1"	"53910251"
"218439"	218439	"quinolinium, 1-methyl-4-[[4-[[[4-[(1-methylpyridinium-4-..."	"C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(cc45)[N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1"	0	""	""	3	2	"5351265"	NA
"218440"	218440	"quinolinium, 1-methyl-4-[[4-[[[4-[(1-methylpyridinium-4-..."	"C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(cc45)[N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1"	0	""	""	2	2	"54610585"	NA
"218457"	218457	"icrf 202"	"CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	2	2	"311908"	"36753170"
"218476"	218476	"6-thio-.beta.-d-glucopyranose, 6-(dimethylarsinite)"	"C[As](C)SCC1OC(O)C(O)C(O)C1O"	0	""	""	2	2	"311912"	"55094194"
"219241"	219241	"phosphonium, (4,5-dihydro-5,5-dimethyl-1h-pyrazol-3-yl)t..."	"CC1(C)CC(=NN1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"21157570"	"32251631"
"219498"	219498	"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine"	"Nc1nc(N)c2nc3CCCCCCCCCCc3nc2n1"	0	""	""	1	1	"311931"	"53274343"
"219733"	219733	"n,n'-di-9-acridinyl-1,6-hexanediamine"	"C(CCCNc1c2ccccc2nc3ccccc13)CCNc4c5ccccc5nc6ccccc46"	0	""	""	2	2	"42875"	"58903529"
"219734"	219734	"1,8-octanediamine, n,n'-di-9-acridinyl- (9ci)"	"C(CCCCNc1c2ccccc2nc3ccccc13)CCCNc4c5ccccc5nc6ccccc46"	0	""	""	2	2	"42559"	"57780571"
"219977"	219977	"Chlorozorubicin hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccc(Cl)cc6)\C"	0	""	""	2	2	"54610692"	"66996530"
"220334"	220334	"Replaced CAS registry number(s): 66835-31-2"	"CCCCCCCCCCCCSC1=C(Cl)C(=O)C(=C(OC)C1=O)OC"	0	""	""	2	2	"312122"	"64102029"
"220471"	220471	"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide"	"CN(C)C(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	6	1	"5925971"	NA
"220589"	220589	"nifurquinazole"	"OCCN(CCO)c1nc(nc2ccccc12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"21139"	"5055209"
"221019"	221019	"Wortmannin"	"COC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)[C@H]4CCC5=O)OC(=O)C)[C@]1(C)c23"	0	"PK:PIK3"	"Clinical trial"	2	2	"312145"	"19545267"
"221154"	221154	"dejo"	"CCN1\C(=C\C=C\C=C\c2sc3ccccc3[n+]2CC)\Sc4ccccc14"	0	NA	NA	2	2	"566924"	"514738"
"221265"	221265	"benzoic acid, 3-nitro-, [[1-[4-[(3-amino-2,3,6-trideoxy-..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6cccc(c6)[N+](=O)[O-])\C"	0	""	""	2	2	"54607142"	"66996563"
"221266"	221266	"benzoic acid, 3,4-dichloro-, [1-[4-[(3-amino-2,3,6-tride..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccc(Cl)c(Cl)c6)\C"	0	NA	NA	2	2	"566954"	"66996541"
"221659"	221659	"benzo[a]heptalen-9(5h)-one, 6,7-dihydro-7-(.beta.-d-mann..."	"COc1cc2CC[C@H](NC3OC(CO)C(O)C(O)C3O)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	NA	NA	2	2	"130447"	NA
"221662"	221662	"colchicine analog"	"CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	8	4	"130449"	"76129118"
"222722"	222722	"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione"	"O=C1C(=C(Sc2ccc3ccccc3c2)C(=O)c4ccccc14)Sc5ccc6ccccc6c5"	0	""	""	1	1	"312602"	"18093431"
"224070"	224070	"aziridinyl benzoquinone"	"OCCNC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NCCO"	0	""	""	4	2	"124693"	"59886543"
"224131"	224131	"N-Phosphonacetyl-L-aspartate"	"[Na+].OC(=O)CC(NC(=O)CP(=O)(O)O)C(=O)O"	0	"Ds"	""	14	6	"-1"	"60342565"
"224369"	224369	"wln: t6nnvj br& dg eg"	"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2"	0	NA	NA	3	2	"131187"	"1698539"
"225112"	225112	"2,4,6-quinazolinetriamine, n(6)-[(3,4-dichlorophenyl)met..."	"CCN(Cc1ccc(Cl)c(Cl)c1)c2ccc3nc(N)nc(N)c3c2C"	0	""	""	2	2	"312901"	"40066339"
"226080"	226080	"Rapamycin"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O"	0	"PK:STK,MTOR"	"FDA approved"	25	6	"-1"	"53123889"
"226798"	226798	"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine"	"COc1nc(Cl)c(Cl)c(Cl)n1.COc2nc(Cl)nc(Cl)c2Cl"	0	""	""	3	2	"313216"	NA
"227185"	227185	"violamycin b"	NA	0	NA	NA	3	2	"131860"	NA
"227262"	227262	"Bouvardia ternafolia"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1.COc6ccc(CC7N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C8Cc9ccc(O)c(Oc%10ccc(cc%10)C(O)C(N(C)C(=O)C(C)NC7=O)C(=O)N8C)c9)cc6"	0	""	""	2	2	"11979533"	NA
"227279"	227279	"1,4-naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-"	"OCC1=C(CO)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	6	6	"313371"	"57999038"
"228082"	228082	"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide"	"[O-][N+](=O)c1ccc(N2CCOCC2)c3c1no[n+]3[O-]"	0	""	""	2	2	"313562"	"18378057"
"228099"	228099	"wln: t56 bnonj bo fnw i- at6n dntj dr d1"	"[O-][N+](=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c4c1no[n+]4[O-]"	0	""	""	2	1	"43795"	"61785840"
"228120"	228120	"benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide"	"COc1cccc(Sc2ccc(c3no[n+]([O-])c23)[N+](=O)[O-])c1"	0	""	""	2	2	"313591"	"53619480"
"228132"	228132	"benzofurazan, 5-nitro-6-(1-piperidinyl)-, 1-oxide"	"[O-][N+](=O)c1cc2no[n+]([O-])c2cc1N3CCCCC3"	0	""	""	2	2	"313603"	"61785828"
"228155"	228155	"benzofurazan, 4-nitro-7-(2-pyridinylthio)-, n-oxide"	"[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c3nonc13"	0	""	""	2	2	"313619"	NA
"228178"	228178	"palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-..."	"CC1=[N+]2N=C(N)N[Pd]2(Cl)Cl[Pd]3(Cl)N=C(N)N[N+]3=C1"	0	NA	NA	1	1	"567307"	NA
"230683"	230683	"1-propanone, 1-(4-fluorophenyl)-3-[(1,4,5,6-tetrahydro-2..."	"Fc1ccc(cc1)C(=O)CCSC2=NCCCN2"	0	""	""	2	2	"24196628"	NA
"231660"	231660	"N-(4-Dimethylaminodiazenylphenyl)propanamide"	"CCC(=O)Nc1ccc(cc1)N=NN(C)C"	0	""	""	1	1	"314336"	"2084620"
"231984"	231984	"quinolinium, 1-methyl-2,4-bis[2-(2,4,6-trimethoxyphenyl)..."	"COc1cc(OC)c(\C=C\c2cc(\C=C\c3c(OC)cc(OC)cc3OC)[n+](C)c4ccccc24)c(OC)c1"	0	NA	NA	2	2	"567587"	NA
"231986"	231986	"4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline"	"COc1ccccc1\C=C/c2cnnc3ccccc23"	0	""	""	1	1	"54602268"	NA
"232002"	232002	"W-203158"	"OC(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	6	1	"869183"	"37107805"
"233872"	233872	""	"CSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	5	4	"133485"	"61827198"
"233898"	233898	"oxidopamine"	"NCCc1cc(O)c(O)cc1O"	0	NA	NA	3	2	"567634"	"28094157"
"234214"	234214	"2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-"	"COC1=C(OC)C(=O)C(=CC1=O)Sc2ccc3ccccc3c2"	0	""	""	2	2	"314728"	"58511947"
"234486"	234486	"Cercosporin"	"COc1c(O)c2C(=O)C=C3OCOC4=CC(=O)c5c(O)c(OC)c(CC(C)O)c6c5c4c3c2c6c1CC(C)O"	0	""	""	1	1	"2674"	NA
"234669"	234669	"scillarenin"	"C[C@]12CC[C@H](O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C)C(CC[C@]34O)C5=COC(=O)C=C5"	0	NA	NA	5	2	"133680"	"465225"
"234714"	234714	"aphidicolin"	"CC1(CO)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO"	0	""	""	2	2	"457964"	"38966211"
"236580"	236580	"destruxin b"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	NA	NA	3	2	"567759"	"2503266"
"236613"	236613	"Plumbagin"	"CC1=CC(=O)c2c(O)cccc2C1=O"	0	NA	NA	2	2	"133894"	"481425"
"236620"	236620	"isoquinolinium, 2-methyl-1-[2-(2,4,6-trimethoxyphenyl)et..."	"COc1cc(OC)c(\C=C\c2c3ccccc3cc[n+]2C)c(OC)c1"	0	""	""	2	2	"20832450"	NA
"236657"	236657	"viridomycin"	"COC1C(O)C2(C)\C=C\C=C\C=C\C=C\C(=O)NC(\C=C\C=C/C=C\C=C\C(C)(O)OC(=O)C2=C1O)c3ccccc3"	0	NA	NA	3	2	"567785"	"56509887"
"237020"	237020	"largomycin f-ii"	NA	0	NA	NA	18	3	"133927"	NA
"237068"	237068	"Ellipticine N-oxide"	"Cc1c2cc[n+]([O-])cc2c(C)c3c4ccccc4[nH]c13"	0	""	""	4	2	"315033"	"37687335"
"237106"	237106	"2-hydroxy-2-deaminoactinomycin c"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(O)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)CC)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	3	2	"428404"	NA
"237343"	237343	"Decanediimidamide, monohydrochloride"	"NC(=N)CCCCCCCCC(=N)N"	0	""	""	1	1	"21144633"	NA
"237538"	237538	"2,4-thiazolidinedione, 5-(3-phenyl-2-propenylidene)-"	"O=C1NC(=O)\C(=C\C=C\c2ccccc2)\S1"	0	""	""	2	2	"1377751"	"5835541"
"237671"	237671	"Actinomycin X4357G methoxime"	"CO\N=C\1/CC(C)N2C1C(=O)N(C)CC(=O)N(C)C(C)C(=O)OC(CO)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7C(O)CC(C)N7C(=O)C(NC6=O)C(C)C)c5N=C34)C)C(=O)NC(C(C)C)C2=O"	0	""	""	3	3	"9573583"	NA
"237677"	237677	"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	"CCCCCCCCSC1=CC(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	"315063"	"64101979"
"238159"	238159	"Nocodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3"	0	"Tu-stab"	""	7	4	"-1"	"31430189"
"238181"	238181	"Isobrucein B"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)C(OC(=O)C)[C@@H]24"	0	NA	NA	2	2	"134133"	"53663039"
"238187"	238187	"Ailanthinone"	"CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	2	2	"567907"	"53683731"
"239072"	239072	"mezerein"	"CC1C(OC(=O)\C=C\C=C\c2ccccc2)C3(OC4(OC3C5C6OC6(CO)C(O)C7(O)C(C=C(C)C7=O)C15O4)c8ccccc8)C(=C)C"	0	NA	NA	2	2	"567920"	"34807415"
"239272"	239272	"(3E)-3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione"	"C\C(=C\1/C(=O)NC(Cc2ccc(F)cc2)C1=O)\Nc3ccccc3"	0	""	""	1	1	"135468176"	"59876458"
"239273"	239273	"2,4-pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(p..."	"C\C(=C\1/C(=O)NC(Cc2cccc(F)c2)C1=O)\Nc3ccccc3"	0	""	""	2	2	"135468177"	"59876447"
"239336"	239336	"bhac"	"CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	"134247"	"55726471"
"239375"	239375	"rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)\C(=C/C=C/C(C)C(OC=O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C"	0	NA	NA	5	3	"134260"	"51757109"
"239400"	239400	"14-Morpholinodaunomycin monohydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CN6CCOCC6"	0	""	""	10	5	"24196812"	"60833149"
"239724"	239724	"cis-4-oh ccnu"	"O[C@@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	2	1	"134311"	"52049260"
"239749"	239749	"Mdl 19152"	"CC1=C(\C=C\C(=O)NC(CO)CS(=O)Cc2ccccc2)C(=O)NC(=O)N1"	0	""	""	6	1	"6105995"	NA
"240386"	240386	"spiro(imidazolidine-4,1'-(1h)indene)-2,5-dione, 6'-[bis(..."	"ClCCN(CCCl)c1ccc2CCC3(NC(=O)NC3=O)c2c1"	0	""	""	2	2	"315310"	NA
"240419"	240419	"benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylph..."	"CC(Br)CN(CC(C)Br)c1ccc(N=Nc2ccccc2C(=O)O)c(C)c1"	0	""	""	2	2	"38312"	"39669493"
"240529"	240529	"2,5-cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]..."	"CC1=CC(=Nc2ccc(cc2)N(CCCl)CCCl)C=C(C)C1=O"	0	""	""	2	2	"116416"	NA
"240533"	240533	"benzeneethanamine, 4-[bis(2-chloroethyl)amino]-, monohyd..."	"NCCc1ccc(cc1)N(CCCl)CCCl"	0	NA	NA	1	1	"568042"	NA
"240553"	240553	"5,8-methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5h)-one, 8..."	"COc1cc(cc(OC)c1OC)C2C3C(CO)C(OC3=O)c4cc5OCOc5cc24"	0	""	""	2	2	"315392"	"821018057"
"240579"	240579	"4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol"	"CN(C)c1ccc(\C=C\c2ccnc3c(O)cccc23)cc1"	0	""	""	2	2	"5868340"	"796463"
"240755"	240755	"1h-benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chlorome..."	"ClCCn1c(CCl)nc2ccc(Cl)cc12"	0	""	""	2	2	"315496"	NA
"240800"	240800	"N,N'-bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine"	"C(CCNc1ccc2nc3c(ccc4ccccc34)cc2c1)CNc5ccc6nc7c(ccc8ccccc78)cc6c5"	0	""	""	1	1	"315508"	NA
"241240"	241240	"Carboplatin"	"N[Pt+2]1(N)[O-]C(=O)C2(CCC2)C(=O)[O-]1"	0	"A7|AlkAg"	"FDA approved"	64	6	"-1"	"41575944"
"241494"	241494	"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione"	"CC(C)CCSC1=CC(=O)c2ccccc2C1=O"	0	""	""	2	2	"315743"	NA
"241509"	241509	"2-propenamide, n-[2-(butylsulfinyl)-1-(hydroxymethyl)eth..."	"CCCCS(=O)CC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	6	2	"134952"	NA
"243022"	243022	"Cinerubin A hcl"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC"	0	NA	NA	3	2	"568313"	NA
"243023"	243023	"Cinerubin B hcl"	"CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)ccc(O)c8C(=O)c7cc6C1C(=O)OC"	0	NA	NA	16	5	"568314"	NA
"243046"	243046	"lasalocid"	"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O"	0	NA	NA	2	1	"568318"	"25999206"
"243115"	243115	"Econazole Nitrate"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1"	0	""	"FDA approved"	2	1	"-1"	"68797319"
"243928"	243928	"ethanesulfonamide, n-[4-(9-acridinylamino)-3-methoxyphen..."	"CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	"151601"	NA
"243929"	243929	"1-propanesulfonamide, n-[4-(9-acridinylamino)-3-methoxyp..."	"CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	"148870"	NA
"243930"	243930	"1-butanesulfonamide, n-[4-(9-acridinylamino)-3-methoxyph..."	"CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	"316348"	NA
"244404"	244404	"[(9E,21Z)-28-(1,3-dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21,23,27(31),28-octaen-13-yl] acetate"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C/C(C)C5OC(C)(C)OC(C(C)C(OC(=O)C)C1C)C5C)\C)c(C6SCCS6)c(O)c4c3C2=O"	0	""	""	1	1	"54610764"	NA
"244425"	244425	"triostin a"	"CC(C)C1N(C)C(=O)C2CSSCC(N(C)C(=O)C(C)NC(=O)C(COC1=O)NC(=O)c3cnc4ccccc4n3)C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c5cnc6ccccc6n5)C(=O)NC(C)C(=O)N2C"	0	NA	NA	3	1	"135764"	"13758275"
"244426"	244426	"Streptogramin A"	"CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)CC(O)\C=C(\C)/C=C\CNC(=O)\C=C/C1C)n3"	0	NA	NA	1	1	"568450"	"21411530"
"244697"	244697	"phosphorus(1+), (2,4-dimethoxyphenyl)tris(n-ethylethanam..."	"CCN(CC)[P+](N(CC)CC)(N(CC)CC)c1ccc(OC)cc1OC"	0	""	""	1	1	"54612203"	NA
"244708"	244708	"benzoic acid, 3,5-dinitro-4-(1h-purin-6-ylthio)-, ethyl ..."	"CCOC(=O)c1cc(c(Sc2ncnc3nc[nH]c23)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"3938430"	"59921641"
"244714"	244714	"benzoic acid, 3,5-dinitro-2-(1h-purin-6-ylthio)-, ethyl ..."	"CCOC(=O)c1cc(cc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"4331266"	"59921594"
"245006"	245006	"[1,1'-binaphthalene]-2,2',3,3'-tetrol"	"Oc1cc2ccccc2c(c1O)c3c(O)c(O)cc4ccccc34"	0	""	""	2	2	"316673"	"39215219"
"245341"	245341	"1,3-benzenediol, 5-[bis(2-chloroethyl)amino]-, dicarbama..."	"NC(=O)Oc1cc(OC(=O)N)cc(c1)N(CCCl)CCCl"	0	""	""	1	1	"316843"	"54845157"
"245398"	245398	"4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate"	"CC1CC[P+](c2ccccc2)(c3ccccc3)c4c1ccc5ccccc45"	0	""	""	2	2	"498151"	"54230169"
"245426"	245426	"[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-trimethylazanium;chloride"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(C(O)C(C)O5)[N+](C)(C)C)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	"24197028"	"80324545"
"245432"	245432	"urea, n-(2-chloroethyl)-n-nitroso-n'-(2,3,4,6-tetra-o-ac..."	"CC(=O)OCC1OC(NC(=O)N(CCCl)N=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	1	"136284"	"42936801"
"245456"	245456	"naphthalene, 2,3-dimethoxy-6-(2-nitroethenyl)-"	"COc1cc2ccc(\C=C/[N+](=O)[O-])cc2cc1OC"	0	""	""	2	1	"5358372"	NA
"246012"	246012	"Agn-PC-0NI726"	"COc1cc2c[n+](C)c3c4ccccc4ccc3c2cc1OC"	0	""	""	2	2	"12237796"	"56516837"
"246014"	246014	"benzo[c]phenthridinium, 3-hydroxy-2,8,9-trimethoxy- 5-me..."	"COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1O"	0	NA	NA	2	2	"568641"	"56517352"
"246112"	246112	"maiq i"	"Cc1cnc(\C=N\NC(=S)N)c2cccc(N)c12"	0	""	""	2	2	"20843053"	NA
"246129"	246129	"antibiotic b 58941b"	"CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C3(C)OC3C1C"	0	NA	NA	1	1	"136461"	"25339906"
"246131"	246131	"Valrubicin"	"CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	"TOP2"	"FDA approved"	3	3	"-1"	"56124620"
"246399"	246399	"STK522977"	"O=C1CSC(=S)N1Cc2cccnc2"	0	""	""	1	1	"317081"	"51216581"
"246406"	246406	"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	"Clc1cccc(Cl)c1C2CSc3ccccc3N=C2c4ccccc4"	0	""	""	1	1	"317088"	NA
"246407"	246407	"Bio7F3"	"[O-][N+](=O)c1cccc(c1)C2CC(=Nc3ccccc3S2)c4ccccc4"	0	""	""	1	1	"317089"	"60246868"
"246968"	246968	"ACM32409953"	"ClCCC(=O)N1C=Cc2ccccc2C1C#N"	0	""	""	2	2	"317098"	"32409953"
"246981"	246981	"LS-150174"	"CCCCN1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	2	1	"99601"	"21808800"
"247022"	247022	"4jr5"	"O=S(=O)(N1CCCCC1)c2ccc(NC(=S)NCc3cccnc3)cc2"	0	""	""	1	1	"2803102"	NA
"247562"	247562	"prodiginine hcl, butylcycloheptyl-"	"CCCCC1CCCCCCc2[nH]c(\C=C\3/N=C(C=C3OC)c4ccc[nH]4)cc12"	0	NA	NA	2	2	"568713"	NA
"248040"	248040	"1-Acridin-9-ylpiperidin-4-ol"	"OC1CCN(CC1)c2c3ccccc3nc4ccccc24"	0	""	""	1	1	"317251"	NA
"248436"	248436	"guanosine, 6-thio-, platinum complex (9ci)"	"Br.Br.[Pt].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	"568720"	"57588031"
"248605"	248605	"julimycin b2"	"CC(OC(=O)C)C1C2=C(C(=O)CC1(C)O)C(=O)c3c(O)c(ccc3C2=O)c4ccc5C(=O)C6=C(C(=O)CC(C)(O)C6C(C)OC(=O)C)C(=O)c5c4O"	0	NA	NA	2	2	"568775"	"18126051"
"249278"	249278	"carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(..."	"CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	6	2	"137022"	"63620519"
"249910"	249910	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(Cl)c5ccccc5nc34)C2=O"	0	"TOP1"	""	5	5	"-1"	"41646053"
"249911"	249911	"1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12h)-on..."	"CCC1C(O)OCC2=C1C=C3N(Cc4c(Cl)c5ccccc5nc34)C2=O"	0	""	""	2	2	"317561"	"57182931"
"249956"	249956	"chapliatrin"	"C\C=C(/COC(=O)C)\C(=O)OC1CC2(C)CCC(O)C(COC(=O)C)C(O2)C3OC(=O)C(=C)C13"	0	NA	NA	2	2	"568878"	NA
"249991"	249991	"(-)-ruboskyrin"	"Cc1cc(O)c2C(=O)C3=C(C4C(O)C(C3=O)C56C4C(O)CC(=C5C(=O)c7c(O)cc(C)c(O)c7C6=O)O)C(=O)c2c1O"	0	NA	NA	1	1	"568887"	NA
"249992"	249992	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	140	121	"2179"	"51264143"
"249995"	249995	"autumnolide"	"CC1CC2OC(=O)C(=C)C2C(O)C3(C)C(O)C4OC4C13"	0	""	""	6	1	"442171"	"20505322"
"250293"	250293	"1,2-benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-..."	"CC(Cc1ccc(O)cc1)NCC(O)c2ccc(O)c(O)c2"	0	""	""	1	1	"317587"	"13263586"
"250427"	250427	"pt 195"	"O=S1(=O)O[Pt]2(NC3CCCCC3N2)O1"	0	NA	NA	2	1	"568890"	NA
"250682"	250682	"isodonol"	"CC1(C)CC[C@H](O)[C@@]23CO[C@@](O)([C@@H](O)[C@H]12)C45[C@H](O)C(CC[C@@H]34)C(=C)C5=O"	0	NA	NA	1	1	"137247"	"28957042"
"250684"	250684	"cytosine, 1.beta.-d-arabinofuranosyl-n(sup 4)-palmitoyl-"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	4	4	"317641"	"55726459"
"250686"	250686	"cytosine, 1.beta.-d-arabinofuranosyl-n(sup 4)-lauroyl-"	"CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	2	2	"317642"	"55726426"
"251190"	251190	"[1-(2-pyridinyl)ethylidene]hydrazinecarbodithioic acid, ..."	"CSC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	2	2	"5947235"	"26151768"
"251198"	251198	"4,5-dihydro-7,8-dimethoxy-1-(2,3,4,6-tetra-o-acetyl-.bet..."	"COc1cc2CCc3cnn(C4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)c3c2cc1OC"	0	""	""	2	1	"317776"	"57595730"
"251219"	251219	"5-Amino-1-methyl-1H-imidazole-4-carboselenoamide"	"Cn1cnc(C(=[Se])N)c1N"	0	""	""	2	2	"6327958"	NA
"251534"	251534	"(1'.beta.)-6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(Oc(c1O)c23)cc67)cc5)c4"	0	""	""	2	1	"98409"	"57377421"
"251667"	251667	"erioflorin acetate"	"CC(=O)OC1CC2OC2(C)CC(OC(=O)C(=C)C)C3C(OC(=O)C3=C)\C=C\1/C"	0	""	""	2	2	"5358418"	"27542230"
"251668"	251668	"Ovatifolin acetate"	"CC(=O)OC\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C)\C"	0	NA	NA	2	2	"137472"	"75521685"
"251677"	251677	"tetrol fr. taxus brevifolia"	"CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)c4ccccc4)C5(O)CC(O)C(=C(C(O)C3=O)C5(C)C)C"	0	""	""	3	3	"125001"	"32981865"
"251682"	251682	"Jacaranone"	"COC(=O)CC1(O)C=CC(=O)C=C1"	0	NA	NA	2	1	"137483"	NA
"251699"	251699	"dicentrine-(-)"	"COc1cc2C[C@H]3N(C)CCc4cc5OCOc5c(c34)c2cc1OC"	0	""	""	6	1	"317843"	"28832077"
"251757"	251757	"2-chloro-6-(4-chlorophenyl)-2,5-cyclohexadiene-1,4-dione"	"ClC1=CC(=O)C=C(C1=O)c2ccc(Cl)cc2"	0	""	""	1	1	"317884"	NA
"251805"	251805	"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester"	"COC(=O)C(F)C(Br)C(=O)OC"	0	NA	NA	2	2	"137549"	"1992934"
"251819"	251819	"2-propenamide, n-[1-(hydroxymethyl)-2-[[(methylsulfinyl)..."	"CC1=C(\C=C\C(=O)NC(CO)CS(=O)CS(=O)C)C(=O)NC(=O)N1"	0	""	""	5	2	"6066399"	NA
"251820"	251820	"(Z)-N-[1-hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	"CSCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	5	5	"54600519"	"61787302"
"252188"	252188	"2,5-cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(..."	"CCCCCCCCSC1=C(Cl)C(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	"318118"	"66777024"
"252628"	252628	"1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-"	"Cn1cnc(c1[Se]c2ncnc3nc[nH]c23)[N+](=O)[O-]"	0	""	""	1	1	"3879067"	NA
"252816"	252816	"sudan red b"	"Cc1cccc(c1)N=Nc2ccc(cc2C)N=Nc3c(O)ccc4ccccc34"	0	""	""	1	1	"99631"	"3176792"
"252844"	252844	"shikonin"	"CC(=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C"	0	NA	NA	2	2	"137848"	"517895"
"252898"	252898	"1-hydroxy-3-adamantaneacetic acid"	"OC(=O)CC12CC3CC(CC(O)(C3)C1)C2"	0	""	""	1	1	"429307"	"17768364"
"252926"	252926	"Oudenone K"	"[K+].CCCC1CCC(=C2C(=O)CCC2=O)O1"	0	""	""	1	1	"5458488"	NA
"252940"	252940	"Gnidimacrin (G-1)"	"CC1CCCCCCC(O)C23OC4C5C6OC6(CO)C(O)C7(O)C(OC(=O)c8ccccc8)C(C)C1C7C5(O2)C(COC(=O)c9ccccc9)CC4(O3)C(=C)C"	0	""	""	2	2	"429314"	NA
"253272"	253272	"Caracemide"	"CNC(=O)ON(C(=O)C)C(=O)NC"	0	""	""	15	6	"54747"	"81424671"
"253995"	253995	"Piperidinium europium benzoyl trifluoroacetonate"	"FC(F)(F)C1=[O][Eu+3]234([O]=C(CC(=[O]2)C(F)(F)F)c5ccccc5)([O]=C(CC(=[O]3)C(F)(F)F)c6ccccc6)([O]=C(CC(=[O]4)C(F)(F)F)c7ccccc7)[O]=C(C1)c8ccccc8"	0	""	""	1	1	"11979537"	"17904788"
"254665"	254665	"justicidin b"	"COc1ccc(cc1OC)c2c3COC(=O)c3cc4cc5OCOc5cc24"	0	""	""	2	2	"122805"	"5707960"
"254677"	254677	"Phomazarin"	"CCCCc1c(OC)cc(O)c2C(=O)C3=C(NC(=C(O)C3=O)C(=O)O)C(=O)c12"	0	""	""	1	1	"318385"	NA
"254681"	254681	"12-iminodaunorubicin hcl"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=N)c12)C(=O)C"	0	NA	NA	20	8	"569186"	"67324996"
"255025"	255025	"Bionet2_000480"	"O=S1(=O)CCN(Cc2ccccn2)CC1"	0	""	""	1	1	"318461"	NA
"255088"	255088	"2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	"OC(=O)C(Br)C(Br)c1ccccc1[N+](=O)[O-]"	0	""	""	1	1	"318492"	"70321334"
"255104"	255104	"geldanamycin analog"	"COC1CC(C)CC2=C(O)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	""	""	2	2	"5358467"	"52762284"
"255105"	255105	"geldanamycin analog"	"COC1CC(C)CC2=C3Oc4cc(Br)ccc4N=C3C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	""	""	5	4	"135468235"	"64202831"
"255108"	255108	"hydrogeldanamycin-18,21-diacetate"	"COC1CC(C)Cc2c(OC)c(OC(=O)C)cc(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)c2OC(=O)C"	0	""	""	2	1	"5358471"	"30562357"
"255109"	255109	"geldanamycin analog"	"COC1CC(C)CC2=C(N)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	4	2	"-1"	"64202819"
"255111"	255111	"19-Formylgeldanamycin N-piperidinoimine"	"COC1CC(C)CC2=C(OC)C(=O)C(=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O)\C=N\N3CCCCC3"	0	NA	NA	2	1	"138258"	"65764445"
"255523"	255523	"N6-Benzyladenosine-5'-phosphate"	"OC1C(COP(=O)(O)O)OC(C1O)n2cnc3c(NCc4ccccc4)ncnc23"	0	NA	NA	2	2	"138366"	"13484667"
"255917"	255917	"platinum, dichloro(1,2-cyclohexanediamine-n,n')-, (sp-4-..."	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	"569283"	NA
"255980"	255980	""	"OCC1OC(Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)C(O)C(O)C1O"	0	NA	NA	1	1	"569306"	NA
"256420"	256420	"helatac"	"CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1"	0	""	""	2	2	"26596"	"14255879"
"256438"	256438	"Medorubicin"	"CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO"	0	NA	NA	3	2	"301221"	"64363639"
"256439"	256439	"Idarubicin"	"CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C"	0	"TOP2"	"FDA approved"	7	4	"-1"	"57852570"
"256442"	256442	""	"COc1cc(OC)c(\C=C/c2ccnc3ccccc23)c(OC)c1"	0	NA	NA	1	1	"138440"	NA
"256926"	256926	"Hyrcanoside"	"C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](CC[C@]34C=O)OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)[C@@]1(O)CCC2C7=CC(=O)OC7"	0	NA	NA	2	2	"138477"	"15001931"
"256927"	256927	"CHIP"	"CC(C)N[Pt](O)(O)(Cl)(Cl)NC(C)C"	0	"A7"	""	14	9	"429536"	"62928114"
"256942"	256942	"Epirubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	3	3	"-1"	"56390091"
"257450"	257450	"dermocylin"	"COc1c(O)c(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1O"	0	""	""	2	2	"72742"	"7229698"
"257473"	257473	"Clotrimazole"	"Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4"	0	""	"FDA approved"	3	1	"-1"	"23593751"
"258168"	258168	"2,6-pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-"	"N#Cc1nc(C#N)c(Sc2ccccc2)c(Sc3ccccc3)c1Sc4ccccc4"	0	""	""	2	2	"318768"	"53862547"
"258625"	258625	"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione"	"CC1(C)C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2"	0	""	""	1	1	"318804"	NA
"258812"	258812	"n,n-dimethyldaunomycin hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	11	3	"569428"	"70095840"
"259726"	259726	"deoxyelephantopin"	"CC(=C)C(=O)O[C@H]1CC2=CC(C\C(=C\[C@H]3OC(=O)C(=C)C13)\C)OC2=O"	0	NA	NA	1	1	"138733"	"29307037"
"259968"	259968	"bouvardin"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(cc5)C(O)C(N(C)C(=O)C(C)NC2=O)C(=O)N3C)c4)cc1"	0	NA	NA	14	10	"569465"	"64755142"
"259969"	259969	"Deoxybouvardin"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1"	0	NA	NA	7	7	"569466"	"64725242"
"260179"	260179	"Neoaureothin"	"COC1=C(C)C(=O)C(=C(O1)C2C\C(=C\C(=C\C(=C\C(=C\c3ccc(cc3)[N+](=O)[O-])\C)\C)\C)\CO2)C"	0	""	""	2	2	"5352028"	"59795947"
"260594"	260594	"benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)am..."	"CN1C=CC(=Nc2ccc(NC(=O)c3ccc(cc3)\N=C\4/C=CN(C)c5ccc(cc45)[N+](=O)[O-])cc2)C=C1"	0	""	""	1	1	"319089"	NA
"260610"	260610	"1,6-hexanediamine, n,n'-bis(3-methoxy-9-acridinyl)-"	"COc1ccc2c(NCCCCCCNc3c4ccccc4nc5cc(OC)ccc35)c6ccccc6nc2c1"	0	""	""	2	2	"319095"	"67047170"
"260642"	260642	"benzenamine, 4-[(8,10-dihydro-8-imino-7-methyl-10-phenyl..."	"CN(C)c1ccc(cc1)N=Nc2ccc3N=C4C=C(C)C(=N)C=C4N(c5ccccc5)c3c2"	0	""	""	2	2	"24197339"	NA
"260922"	260922	"phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	"Oc1ccc(SCc2ccc(NCc3ccccc3)cc2)cc1"	0	""	""	1	1	"319188"	NA
"261045"	261045	"n,n-dimethyladriamycin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	3	2	"569515"	"67106767"
"261726"	261726	"Dezaguanine"	"NC1=Cc2[nH]cnc2C(=O)N1"	0	""	""	8	2	"55710"	"41729526"
"263434"	263434	"n,n'-bis(3-methoxy-9-acridinyl)-1,8-octanediamine"	"COc1ccc2c(NCCCCCCCCNc3c4ccccc4nc5cc(OC)ccc35)c6ccccc6nc2c1"	0	""	""	2	2	"99670"	"64955562"
"263500"	263500	"Gramixel"	"C[n+]1ccc(cc1)c2cc[n+](C)cc2"	0	NA	NA	2	2	"569622"	"1910425"
"263601"	263601	"GHQVMARKZDBYKZ-UHFFFAOYSA-N"	"COc1ccc(CC#N)c(OCc2ccccc2)c1"	0	""	""	1	1	"319408"	"32884256"
"263625"	263625	"2-(2,4,5-trimethoxystyryl)benzothiazole"	"COc1cc(OC)c(\C=C\c2nc3ccccc3s2)cc1OC"	0	""	""	1	1	"5790338"	NA
"263626"	263626	"quinolinium, 1-butyl-2-[2-(2,4,6-trimethoxyphenyl)etheny..."	"CCCC[n+]1c(\C=C\c2c(OC)cc(OC)cc2OC)ccc3ccccc13"	0	""	""	2	2	"54601751"	NA
"263637"	263637	"4h-[1]benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-p..."	"O=C1NC(N=C2Oc3ccccc3C=C12)c4ccccc4"	0	""	""	2	2	"319428"	"52218083"
"263663"	263663	"pyridinium, 3,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbo..."	"C[n+]1cccc(NC(=O)c2ccc(NC(=O)C34CCC(CC3)(CC4)C(=O)Nc5ccc(cc5)C(=O)Nc6ccc[n+](C)c6)cc2)c1"	0	""	""	1	1	"54607338"	NA
"264045"	264045	"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine"	"Clc1cc2nsnc2c(Cl)n1"	0	""	""	1	1	"319592"	NA
"264054"	264054	"mexicanin e"	"CC1CC2OC(=O)C(=C)C2CC3C1C=CC3=O"	0	NA	NA	3	3	"139566"	"5945404"
"264077"	264077	"phosphonium, (2-bromoethyl)triphenyl-, bromide"	"BrCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"569692"	"7301931"
"264137"	264137	"Elliptinium Acetate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13"	0	"TOP2"	"Clinical trial"	11	9	"-1"	"58337352"
"264497"	264497	"benzoic acid, 3,5-dinitro-4-(1h-purin-6-ylthio)-, octyl ..."	"CCCCCCCCOC(=O)c1cc(c(Sc2ncnc3nc[nH]c23)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	5	4	"3560228"	NA
"264713"	264713	"Calvatic acid"	"OC(=O)c1ccc(cc1)[N+](=NC#N)[O-]"	0	""	""	1	1	"99679"	"54723089"
"264878"	264878	"kauranol"	"[R]O.CC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3"	0	""	""	1	1	"623309"	NA
"264880"	264880	"Dihydro-5-azacytidine"	"NC1=NCN(C2OC(CO)C(O)C2O)C(=O)N1"	0	"DNMT"	""	14	12	"-1"	"62402317"
"264938"	264938	"1-Benzo[a]phenothiazin-12-yl-2-chloroethanone"	"ClCC(=O)N1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	2	"319735"	NA
"265203"	265203	"multigilin"	"C\C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@H](O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C"	0	""	""	6	4	"5281486"	NA
"265204"	265204	"1,2,3,4-oxatriazolium, 5-amino-3-phenyl-, chloride"	"Nc1on[n+](n1)c2ccccc2"	0	""	""	1	1	"319742"	"29185339"
"265211"	265211	"Marcellomycin"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC"	0	""	""	6	3	"319748"	"63710101"
"265450"	265450	"Nogamycin"	"COC1C(C)OC(OC2CC(C)(O)Cc3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC"	0	""	""	15	8	"319846"	"64267465"
"265459"	265459	"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))- (9CI)"	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	"569798"	"61848622"
"265460"	265460	"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1R-trans))- (9CI)"	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	"569799"	"61848666"
"265473"	265473	"2-propenamide, n-[2-(decylthio)-1-(hydroxymethyl)ethyl]-..."	"CCCCCCCCCCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	5	5	"139845"	"61786741"
"265875"	265875	"1h-imidazole-4-methanaminium, n-hexadecyl-n-(2-hydroxyet..."	"CCCCCCCCCCCCCCCC[N+](C)(CCO)Cc1c[nH]cn1"	0	""	""	1	1	"21144688"	"57879466"
"265959"	265959	"6h-cyclopenta[c][1,8]phenanthrolin-6-one, 5,7,8,9-tetrah..."	"O=C1Nc2c(ccc3cnccc23)C4=C1CCC4"	0	""	""	2	1	"319904"	"66262746"
"266032"	266032	"7-oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-6-(hydroxy..."	"OC[C@]12O[C@H]1C(=O)C=C[C@@H]2O"	0	""	""	2	2	"319924"	"55164608"
"266046"	266046	"Oxaliplatin"	"O=C1C(=O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	"A7|AlkAg"	"FDA approved"	3	2	"-1"	"61825943"
"266047"	266047	"Platinum, (1,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))- (9CI)"	"O=C1CC(=O)[O-][Pt]2(N[C@@H]3CCCC[C@H]3[NH+2]2)[O-]1"	0	NA	NA	3	2	"139931"	"61848655"
"266068"	266068	"l-leucine, n-[4-[bis(2-chloroethyl)amino]-dl-phenylalany..."	"CCOC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccc(cc1)N(CCCl)CCCl"	0	""	""	3	3	"429865"	NA
"266186"	266186	"huratoxin"	"CCCCCCCCC\C=C\C=C\[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)C4(O1)C(C)C[C@@]3(O2)C(=C)C"	0	NA	NA	3	3	"140039"	NA
"266210"	266210	"butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCC(=O)N\N=C(/C)\C6(O)CC(OC7CC(N)C(O)C(C)O7)c8c(O)c9C(=O)c%10c(OC)cccc%10C(=O)c9c(O)c8C6)\C"	0	""	""	2	2	"9573613"	"70095839"
"266491"	266491	"psorspermin"	"COc1cc2OCC(c2c3Oc4c(O)cccc4C(=O)c13)C5(C)CO5"	0	""	""	3	3	"429905"	"74045979"
"266494"	266494	"Simalikalactone D"	"CCC(C)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O"	0	NA	NA	3	1	"140187"	"35321803"
"266743"	266743	"hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methyle..."	"NC(=S)N\N=C\c1ccc(N)cn1"	0	""	""	2	2	"9556467"	NA
"266748"	266748	"hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl..."	"CNc1cccnc1\C=N\NC(=S)N"	0	""	""	2	2	"9555629"	NA
"266763"	266763	"2-propenamide, n-[2-(decylsulfinyl)-1-(hydroxymethyl)eth..."	"CCCCCCCCCCS(=O)CC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	6	4	"5358593"	NA
"267033"	267033	"trichodermin"	"CC(=O)O[C@H]1C[C@@H]2OC3C=C(C)CCC3(C)[C@@]1(C)[C@@]24CO4"	0	NA	NA	4	2	"140296"	"4682502"
"267213"	267213	"acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]- (9ci)"	"COc1ccc(cc1)S(=O)(=O)N\N=C\C(=O)O"	0	""	""	8	2	"5351283"	"75968217"
"267229"	267229	"pyrromycin"	"CC[C@@]1(O)C[C@H](OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC"	0	NA	NA	6	3	"140324"	"668177"
"267239"	267239	"fastigilin a"	"C\C=C(/C)\C(=O)OC1C2C(C)C(=O)OC2C(O)C(C)C3C=CC(=O)C13C"	0	""	""	2	1	"5458512"	"6995104"
"267319"	267319	"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol"	"Oc1c(Cl)c(Cl)c(O)c2CCCCc12"	0	""	""	1	1	"320303"	"16368835"
"267461"	267461	"Nanaomycin"	"C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O"	0	NA	NA	4	4	"140408"	"52934835"
"267469"	267469	"Deoxydoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	""	24	13	"-1"	"63950061"
"267589"	267589	"(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1cccc(\C=C\2/Sc3ccccc3NC2=O)c1"	0	""	""	1	1	"5476828"	NA
"267694"	267694	"Cinerubin A hydrochloride"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5C1C(=O)OC"	0	NA	NA	2	1	"570084"	NA
"267707"	267707	"cedronine"	"CC1=CC(=O)C(O)C2(C)C1CC(O)C34COC5(C)C(OC(=O)C35)C(O)C24"	0	NA	NA	1	1	"570087"	NA
"267709"	267709	"undulatone"	"C\C=C(/C)\C(=O)OC1C2OC(=O)C(OC(=O)C)C3C(C)C(O)C4(O)OCC23C4C5(C)C(O)C(=O)C=C(C)C15"	0	NA	NA	5	4	"570088"	"70993770"
"267712"	267712	"resibufogenin, methacrylate deriv"	"CC(=C)C(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6)C1"	0	""	""	5	3	"320371"	NA
"267713"	267713	"digitoxigenin glycoside"	NA	0	NA	NA	2	1	"140440"	NA
"268222"	268222	"(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1ccc(\C=C\2/Sc3ccccc3NC2=O)cc1"	0	""	""	1	1	"5476834"	NA
"268226"	268226	""	"CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)C"	0	NA	NA	2	2	"140481"	"20268933"
"268239"	268239	"5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihyd..."	"CCN(CC)C1CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O"	0	NA	NA	2	1	"570111"	"70844096"
"268242"	268242	"N,N-Dibenzyldaunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(Cc6ccccc6)Cc7ccccc7)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	""	16	6	"5351284"	"70878512"
"268251"	268251	".beta.-l-glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methy..."	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3nc[nH]c23)C(O)C1O"	0	""	""	5	3	"4366047"	"67642368"
"268617"	268617	"benzenamine, 4-[2-(7,8-dimethyl-4-quinolinyl)ethenyl]-n,..."	"CN(C)c1ccc(\C=C\c2ccnc3c(C)c(C)ccc23)cc1"	0	""	""	1	1	"5952858"	NA
"268665"	268665	"4-Amino-1-[6-(hydroxymethyl)-2,2-diphenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl]pyrimidin-2-one"	"NC1=NC(=O)N(C=C1)C2OC(CO)C3O[Sn](OC23)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"16682876"	NA
"268690"	268690	"3-pyridinecarboxylic acid, [(2,4-dihydroxyphenyl)methyle..."	"Oc1ccc(\C=N\NC(=O)c2cccnc2)c(O)c1"	0	""	""	1	1	"135488764"	NA
"268695"	268695	"benzoic acid, 2-(1-pyrrolidinyl)-, [(2-hydroxy-3-methoxy..."	"COc1cccc(\C=N\NC(=O)c2ccccc2N3CCCC3)c1O"	0	""	""	1	1	"135502114"	NA
"268708"	268708	"5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alph..."	"COc1cccc2C(=O)c3c(O)c4C[C@H](O)C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12"	0	NA	NA	1	1	"570195"	"75363858"
"268804"	268804	"2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline"	"COc1cc(N(C)C)c(OC)cc1\C=C/c2ccnc3ccccc23"	0	""	""	1	1	"54599355"	"978165"
"268907"	268907	"benzenesulfonamide, n-[2-(4,6-diamino-1,3,5-triazin-2-yl..."	"Nc1nc(N)nc(n1)c2ccccc2NS(=O)(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	"320647"	"94037486"
"268925"	268925	"Di-n-octyl-secalonsaure A"	"CCCCCCCCOC(=O)C12Oc3ccc(c(O)c3C(=O)C1=C(O)CC(C)C2O)c4ccc5OC6(C(O)C(C)CC(=C6C(=O)c5c4O)O)C(=O)OCCCCCCCC"	0	NA	NA	1	1	"570238"	NA
"268965"	268965	"benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-"	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(C=O)cc1"	0	NA	NA	5	5	"140747"	"4248797"
"268986"	268986	"dromilac"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	2	2	"570242"	"1239458"
"268993"	268993	"Deferoxamine Hydrochloride"	"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"	0	NA	NA	3	2	"570243"	"1950396"
"269121"	269121	"dalbergione"	"COC1=CC(=O)C(=CC1=O)C(C=C)c2ccccc2"	0	NA	NA	2	2	"140769"	"28396750"
"269142"	269142	"anguidine deriv scirpentriol"	"CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]34CO4"	0	NA	NA	5	2	"140789"	"2270419"
"269146"	269146	"variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	3	2	"301230"	"12677111"
"269148"	269148	"Menogaril"	"CO[C@H]1C[C@](C)(O)Cc2cc3C(=O)c4c5O[C@@H]6O[C@@](C)([C@H](O)[C@H]([C@@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12"	0	"TOP2"	""	23	16	"-1"	"71628961"
"269149"	269149	"Nogarene"	"CN(C)C1C(O)C2Oc3c4C(=O)c5cc6cc(C)ccc6c(O)c5C(=O)c4c(O)cc3C(C)(O2)C1O"	0	""	""	2	2	"3751252"	"71582542"
"269189"	269189	"Thalicberine, O-methyl"	"COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6CCN(C)C(Cc7ccc(Oc1c2)cc7)c6cc5OC)c34"	0	NA	NA	1	1	"140806"	"5096719"
"269191"	269191	"Thalphenine chloride"	"COc1cc2CC[N+](C)(C)C3Cc4cc5OCOc5c6COc1c(c23)c46"	0	""	""	2	2	"24197663"	"39027979"
"269192"	269192	"8-Trichloromethyldihydroberberine"	"COc1ccc2C=C3N(CCc4cc5OCOc5cc34)C(c2c1OC)C(Cl)(Cl)Cl"	0	""	""	1	1	"320713"	"50932224"
"269207"	269207	""	"CSC1=S[Zn]2(S=C(N[N+]2=C3CCCC3)SC)[N+](=C4CCCC4)N1"	0	NA	NA	1	1	"570272"	NA
"269210"	269210	"C8H14N2S2"	"CSC(=S)NN=C1CCCCC1"	0	""	""	1	1	"2830668"	"26251649"
"269599"	269599	"Stannane, chlorohydroxydiphenyl-"	"O[Sn](Cl)(c1ccccc1)c2ccccc2"	0	""	""	2	2	"6333579"	"2984830"
"269719"	269719	"estr-4-en-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O"	0	NA	NA	2	2	"140902"	"54025364"
"269720"	269720	"androstan-17-one, 3-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)OC(=O)N(CCCl)N=O"	0	""	""	2	2	"320802"	"54025217"
"269721"	269721	"androstan-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](OC(=O)N(CCCl)N=O)[C@@]4(C)CC[C@H]23"	0	""	""	2	2	"320803"	"54025353"
"269753"	269753	"modified new trichothecene"	"CC(O)C1OCC(O)C(C)CC(=O)OC[C@]23C[C@H](O)C(=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C/C=C/1)[C@@]3(C)[C@@]45CO5)C"	0	""	""	5	4	"5352030"	NA
"269754"	269754	"modified new trichothecene"	"CC(O)C1OCC(O)C(C)CC(=O)OCC23CC(O)C(=CC2OC4CC(OC(=O)\C=C\C=C\1)C3(C)C45CO5)C"	0	NA	NA	12	8	"570347"	NA
"269756"	269756	"Baccharinol"	"C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OC[C@]34C[C@@H](O)C(=C[C@H]3O[C@@H]5C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)C56CO6)C"	0	NA	NA	7	6	"570349"	"63783948"
"269757"	269757	"Baccharin"	"C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OCC34CCC5(C)O[C@H]5[C@H]3O[C@@H]6C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)[C@]67CO7"	0	NA	NA	3	3	"140916"	"61251976"
"269760"	269760	"isobaccharin"	"C[C@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OCC34CC[C@@]5(C)O[C@H]5[C@H]3O[C@@H]6C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)[C@]67CO7"	0	""	""	3	3	"5358646"	"63814584"
"270046"	270046	"sapelin a"	"CC(C)(O)C1OCC(CC1O)C2CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C"	0	NA	NA	1	1	"141028"	"26790932"
"270057"	270057	"Hydroxypristimerin"	"COC(=O)C1(C)CC2C(C)(CCC3(C)C4=CC=C5C(=C(O)C(=O)C=C5C4(C)CCC23C)C)CC1O"	0	""	""	2	2	"320914"	"73246545"
"270693"	270693	"anhydrolycorinium chloride"	"C1Oc2cc3c[n+]4CCc5cccc(c3cc2O1)c45"	0	""	""	6	5	"181302"	"61221429"
"270718"	270718	"Probes1_000079"	"OC(=O)c1cc2C3C(C4C(c2cc1S(=O)(=O)O)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl"	0	""	""	1	1	"430297"	NA
"270737"	270737	"2-(3-nitrophenyl)-4-p-tolyl-2,3-dihydrobenzo[b][1,4]thia..."	"Cc1ccc(cc1)C2=Nc3ccccc3SC(C2)c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	"321194"	NA
"270738"	270738	"2-(4-(hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1..."	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4"	0	""	""	1	1	"321195"	"60246879"
"270904"	270904	"4,7-quinolinediamine, n4,n4'-1,8-octanediylbis[2-methyl-..."	"Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N)ccc23)c4ccc(N)cc4n1"	0	NA	NA	1	1	"141400"	NA
"270919"	270919	"from gnidia"	"CCCCC\C=C\C=C\C12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)[C@@]4(O1)[C@H](C)[C@@H](OC(=O)c7ccccc7)[C@@]3(O2)C(=C)C"	0	""	""	2	2	"6440205"	"60195702"
"271271"	271271	"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol"	"COc1cc2CCCc3cnn(c4ccc(cc4)[N+](=O)[O-])c3c2cc1O"	0	""	""	1	1	"321301"	"71007755"
"271278"	271278	"(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1ccccc1\C=C\2/Sc3ccccc3NC2=O"	0	""	""	1	1	"5476890"	NA
"271674"	271674	"Carboxyphthalatoplatinum"	"OC(=O)c1ccc2C(=O)O[Pt]3(NC4CCCCC4N3)OC(=O)c2c1"	0	"A7"	""	10	5	"-1"	"65296813"
"271952"	271952	"[1,3]dioxolo[4,5-j]phenanthridinium, 5-methyl-, chloride"	"C[n+]1cc2cc3OCOc3cc2c4ccccc14"	0	""	""	1	1	"14526905"	"65367819"
"271967"	271967	"methanaminium, n-[bis[4-(dimethylamino)phenyl]methylene]..."	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.OC(=O)c4ccccc4C(=O)[O-]"	0	NA	NA	2	2	"570527"	NA
"272346"	272346	"1,7-heptanediamine, n,n'-bis(2-methyl-7-nitro-4-quinolin..."	"Cc1cc(NCCCCCCCNc2cc(C)nc3cc(ccc23)[N+](=O)[O-])c4ccc(cc4n1)[N+](=O)[O-]"	0	NA	NA	3	2	"570539"	"64335064"
"272671"	272671	"pepstatin"	"CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)O"	0	NA	NA	1	1	"570552"	"26305033"
"273432"	273432	"hexanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCCCC(=O)N\N=C(/C)\C6(O)CC(OC7CC(N)C(O)C(C)O7)c8c(O)c9C(=O)c%10c(OC)cccc%10C(=O)c9c(O)c8C6)\C"	0	""	""	2	2	"9573626"	"70074190"
"273808"	273808	""	"CC1CC[P+](c2ccccc2)(c3ccccc3)c4c1ccc5ccccc45"	0	NA	NA	2	2	"570598"	NA
"273829"	273829	"4,7-quinolinediamine, n4,n4'-1,7-heptanediylbis[2-methyl-"	"Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c4ccc(N)cc4n1"	0	""	""	1	1	"152481"	"75919743"
"274539"	274539	"Olivomycin Transformation"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	"570631"	NA
"274544"	274544	"Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium"	"FC(F)(F)c1nnnn1[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	1	"6333596"	NA
"274547"	274547	"gold, [.mu.-(5,5'-bi-1h-tetrazolato(2-)-n1:n1')]bis(trip..."	"[Au+](P(c1ccccc1)(c2ccccc2)c3ccccc3)[N-]4N=NN=C4C5=NN=N[N-]5[Au+]P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	4	2	"6333597"	NA
"274548"	274548	"gold, [.mu.-[[5,5'-methylenebis[1h-tetrazolato]](2-)-n(1..."	"C(c1nnnn1[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)c5nnnn5[Au]P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	2	"6333598"	NA
"274551"	274551	"Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium"	"CN([Au]P(c1ccccc1)(c2ccccc2)c3ccccc3)c4nnnn4C"	0	""	""	2	2	"6333600"	NA
"274553"	274553	"Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium"	"Cn1nnnc1N(Cc2ccccc2)[Au]P(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	2	2	"6333602"	NA
"274554"	274554	"Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium"	"CCN([Au]P(c1ccccc1)(c2ccccc2)c3ccccc3)c4nnnn4CC"	0	""	""	2	1	"6333603"	NA
"274555"	274555	"gold, (2,3-dihydro-2-thioxo-4(1h)-pyrimidinonato-s)(trip..."	"O=C1N\C(=S\[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)\NC=C1"	0	NA	NA	2	2	"570642"	NA
"274556"	274556	""	"N=N=N[Au]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"6333604"	"20224833"
"274557"	274557	""	"CC(=O)O[Au]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"570644"	"24169888"
"274893"	274893	"thalicarpine transformation product"	"COc1cc2c(CC3N(C)CCc4cc(OC)c(OC)c2c34)cc1Oc5ccc(OC)c6c5CC7N(C)CCc8cc(OC)c(OC)c6c78"	0	NA	NA	6	4	"570654"	NA
"275428"	275428	"nybomycin deriv"	"CN(C)CC1=CC(=O)N(C)c2c3OCN4C(=O)C=C(C)c(cc12)c34"	0	""	""	2	1	"24197834"	NA
"275647"	275647	"5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alph..."	"COCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	NA	NA	3	3	"570701"	"66678339"
"275656"	275656	"Dioxadet"	"CC1(C)OCC(CO)(CO1)Nc2nc(nc(n2)N3CC3)N4CC4"	0	""	""	3	3	"48858"	"67026124"
"275890"	275890	""	"OCC(O)C(O)C(O)C(O)C(=O)NO"	0	NA	NA	3	2	"142061"	"24758698"
"275971"	275971	"ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate"	"CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1"	0	""	""	2	2	"321836"	NA
"276296"	276296	"palladium, bis(purine-6-thiolato)- (8ci)"	"N1C=NC2=S[Pd]3(S=C4N=CNc5ncn3c45)n6cnc1c26"	0	NA	NA	2	2	"570745"	"20224800"
"276299"	276299	"platinum, bis(2-amino-1,9-dihydro-6h-purine-6-thionato-n..."	"NC1=NC2=S[Pt]3(S=C4N=C(N)Nc5[nH]c[n+]3c45)[n+]6c[nH]c(N1)c26"	0	NA	NA	2	2	"570747"	NA
"276361"	276361	"1h-pyrrole-3,4-dimethanol, 1-(4-butylphenyl)-2,5-dimethy..."	"CCCCc1ccc(cc1)n2c(C)c(COC(=O)NC)c(COC(=O)NC)c2C"	0	""	""	1	1	"321869"	"64618571"
"276362"	276362	"1h-pyrrole-3,4-dimethanol, 1-(4-bromophenyl)-2,5-dimethy..."	"CNC(=O)OCc1c(C)n(c(C)c1COC(=O)NC)c2ccc(Br)cc2"	0	""	""	1	1	"321870"	"64618264"
"276371"	276371	"2,5-cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-[(3,7,11,1..."	"COC1=C(OC)C(=O)C(=CC1=O)SC\C=C(/C)\CCCC(C)CCCC(C)CCCC(C)C"	0	""	""	2	2	"5476942"	"68160372"
"276376"	276376	"formamide, n-[4-(3,3-dimethyl-1-triazenyl)phenyl]-"	"CN(C)N=Nc1ccc(NC=O)cc1"	0	""	""	1	1	"321881"	"2313851"
"276382"	276382	"pepleo"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNC(C)c7ccccc7"	0	"Db"	""	4	4	"-1"	NA
"277181"	277181	"1h-inden-1-one, 5-[2-(dimethylamino)ethoxy]-2,3-dihydro-..."	"CN(C)CCOc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Cc2c1"	0	""	""	2	2	"54607375"	"55079566"
"277184"	277184	"1h-inden-1-one, 6-[2-(dimethylamino)ethoxy]-2,3-dihydro-..."	"CN(C)CCOc1ccc2C\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	1	"142201"	"55078518"
"277290"	277290	"uzarigenin"	"CC12CCC(O)CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5"	0	NA	NA	2	2	"142233"	"466091"
"277293"	277293	"Cinnamodial B812927K060"	"CC(=O)OC1C=C(C=O)C(O)(C=O)C2(C)CCCC(C)(C)C12"	0	""	""	6	2	"321973"	NA
"278214"	278214	"carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc(Cl)c(Cl)c2)n3CCCc13"	0	""	""	10	2	"100267"	"74296427"
"278467"	278467	"9,10-anthracenedione, 1,4-bis[[3-[(2-hydroxyethyl)amino]..."	"OCCNCCCNc1ccc(NCCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	1	"72743"	"65271796"
"278571"	278571	"Toxin HT2"	"CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@@]34CO4)C=C1C"	0	NA	NA	3	2	"142535"	"26934872"
"278619"	278619	"prumycin"	"C[C@@H](N)C(=O)NC(CO)C(O)C(N)C=O"	0	NA	NA	2	2	"570878"	NA
"278631"	278631	"2-butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-..."	"CCOC(=O)\C=C(\C)/Sc1cc(O)c2ccccc2c1O"	0	""	""	2	1	"5358772"	"59483953"
"278632"	278632	"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-"	"CCOC(=O)\C=C(/C)\Sc1cc(O)c2ccccc2c1O"	0	""	""	1	1	"5358773"	"59483975"
"279503"	279503	"isobrucein a"	"COC(=O)C12OCC34C(CC5C(=CC(=O)C(O)C5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)CC(C)C)C24"	0	""	""	17	8	"322357"	"57629502"
"279836"	279836	"Mitoxantrone"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	"TOP2"	"FDA approved"	2	2	"4212"	"65271809"
"280074"	280074	"ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]ph..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc(cc2)c3csc(COc4ccccc4)n3)cc1"	0	""	""	4	4	"322463"	NA
"280414"	280414	"multistatin"	"C\C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C(=O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C"	0	""	""	2	2	"5319944"	NA
"280471"	280471	""	"NC1=S[Pt]2(Cl)N3CCCCC3C=[N+]2N1"	0	NA	NA	1	1	"570955"	NA
"280594"	280594	"Triciribine phosphate"	"CN1N=C(N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c4ncnc1c24"	0	"PK:STK,AKT1"	"Clinical trial"	20	18	"-1"	"61966083"
"280893"	280893	"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone"	"Cc1ccc(cc1)S(=O)(=O)CC2(Br)CCc3ccccc3C2=O"	0	""	""	1	1	"322770"	"72848603"
"281245"	281245	"compactin"	"CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12"	0	""	""	2	2	"2854"	"84173295"
"281272"	281272	"ara ac"	"NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O"	0	NA	NA	16	13	"143239"	"65886717"
"281279"	281279	"platinum, aqua(1,2-cyclohexanediamine-n,n')(tetraoxosele..."	"O[Pt]1(NC2CCCCC2N1)O[Se](=O)(=O)O"	0	""	""	2	2	"430708"	NA
"281300"	281300	""	"COc1cc2CCN(C)c3cc4OCOc4cc3CC(C)c2cc1O"	0	NA	NA	2	1	"571048"	NA
"281383"	281383	"Q27192528"	"CCOC(=O)Nc1ccc2nc(sc2c1)N3CCCCCC3"	0	""	""	2	2	"322919"	NA
"281612"	281612	"benzaldehyde (BEN)"	"Cc1cc(ccc1C=O)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	"A7"	"Clinical trial"	1	1	"322931"	"56967089"
"281613"	281613	"ethanol, 2,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)ph..."	"Cc1cc(ccc1\C=N\c2ccc(c(Cl)c2)c3csc(n3)c4ccccc4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	3	3	"322932"	NA
"281617"	281617	"ethanol, 2,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethy..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3nc(Cc4ccccc4)sc3C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	5	5	"322935"	NA
"281625"	281625	"phosphonium, [2-(1,3-dihydro-2h-isoindol-2-yl)ethyl]trip..."	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)N4Cc5ccccc5C4"	0	NA	NA	1	1	"571058"	"65273623"
"281668"	281668	"prima-1"	"OCC1(CO)N2CCC(CC2)C1=O"	0	""	""	4	2	"322968"	"5608242"
"281693"	281693	""	"[O-][N+](=O)C1(Br)CCC(Br)(CC1)[N+](=O)[O-]"	0	NA	NA	1	1	"143353"	NA
"281816"	281816	"metitepine maleate"	"CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1"	0	NA	NA	2	2	"143449"	"19728882"
"281817"	281817	"ethanol, 2,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]ph..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(n3)c4ccc(Br)cc4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	4	4	"323078"	NA
"281818"	281818	"ethanol, 2,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-t..."	"CCCOc1ccc(cc1)c2nc(cs2)c3ccc(cc3)\N=C\c4ccc(cc4C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	3	3	"323079"	NA
"281929"	281929	"Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)"	"CCOC(=O)C#Cc1cccc(c1)C#CC(=O)OCC"	0	""	""	2	2	"323109"	"60521724"
"282150"	282150	"benzenethiol, 2-amino-5-methyl-"	"Cc1ccc(N)c(S)c1"	0	""	""	1	1	"323260"	"23451969"
"282159"	282159	"kaurane deriv"	"CC(=O)OC1CC2C(O)C3(C(O)CC4C5(C)CCCC4(C(O)OC5)C13)C(=O)C2=C"	0	""	""	1	1	"430839"	"59859993"
"282173"	282173	"Carnosol O-quinone"	"CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C)(C)C3CC2OC4=O"	0	""	""	1	1	"323275"	NA
"282752"	282752	"Eunicin"	"CC1CCC\C(=C/CCC(C)(O)C2CC3C(OC(=O)C3=C)C1O2)\C"	0	NA	NA	6	2	"143750"	"22551457"
"282880"	282880	"Octadecylphosphocholine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	2	"125219"	"65956630"
"282885"	282885	"acetamide, n-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-..."	"CC(=O)NC(CCc1ccc(Cl)c(Cl)c1)C2=CC=CC(=O)C(=C2)O"	0	""	""	2	1	"323364"	"71856945"
"283162"	283162	"trimethyl tmm"	"CN(CO)c1nc(nc(n1)N(C)CO)N(C)CO"	0	""	""	11	2	"92368"	"64124216"
"283168"	283168	"acetamide, n,n'-[(5-methoxy-2-methyl-1h-indole-4,6-diyl)..."	"COc1c(CNC(=O)CCl)cc2[nH]c(C)cc2c1CNC(=O)CCl"	0	""	""	1	1	"323387"	"58867633"
"283440"	283440	"eriofertin"	"C\C=C(/C)\C(=O)OC1C\C(=C/C(O)C\C(=C\C2OC(=O)C(=C)C12)\C)\CO"	0	NA	NA	6	5	"571254"	NA
"283445"	283445	"verrucarin a 9,10-epoxide"	"C[C@@H]1CCOC(=O)\C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5OC5(C)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@@]36CO6"	0	NA	NA	4	1	"143816"	"74560386"
"284356"	284356	"mitindomide"	"O=C1NC(=O)C2C3C=CC(C4C3C5C4C(=O)NC5=O)C12"	0	NA	NA	19	2	"143969"	"10403517"
"284437"	284437	"Quadrone"	"CC1(C)CC23C4CC(=O)C2COC(=O)C3CCC14"	0	NA	NA	6	4	"571295"	"87480011"
"284682"	284682	"3'-Hydroxydaunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(O)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	19	10	"144011"	"64842757"
"284751"	284751	"adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate)"	"Nc1ncnc2c1nc(Cl)n2C3OC4COP(=O)(O)OC4C3O"	0	""	""	8	7	"323587"	"41941564"
"285109"	285109	"Lapachol glucoside tetraacetate"	"CC(=CCC1=C(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=O)c3ccccc3C1=O)C"	0	NA	NA	2	1	"144041"	"57093273"
"285116"	285116	"siomycin a"	"C\C=C\1/NC(=O)C(NC(=O)c2csc(n2)C34CCC(=NC3c5csc(n5)C(NC(=O)c6csc(n6)C(NC(=O)C7CSC1=N7)C(C)(O)C(C)O)C(C)OC(=O)c8cc(C(C)O)c9C=CC(NC(C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C)C(=O)N4)C(O)c9n8)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(C)O"	0	NA	NA	4	3	"571338"	"12656096"
"285166"	285166	"oxin"	"Oc1cccc2cccnc12"	0	NA	NA	5	4	"144064"	"148243"
"285223"	285223	"neothramycin"	"COc1cc2C(=O)N3[C@H](O)CC[C@H]3C=Nc2cc1O.COc4cc5C(=O)N6[C@@H](O)CC[C@H]6C=Nc5cc4O"	0	NA	NA	6	6	"144065"	NA
"285233"	285233	"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone"	"CCC(=O)NC1=C(Cl)C(=O)C(=C(Cl)C1=O)NC(=O)CC"	0	""	""	2	2	"323616"	NA
"285658"	285658	"Enmein-3-acetate"	"CC(=O)O[C@@H]1C[C@H]2OC(=O)C34CC(CCC3C25CO[C@H](O)[C@H]5C1(C)C)C(=C)C4=O"	0	""	""	1	1	"323628"	"7122001"
"285682"	285682	"phosphonamidic acid, p-1-aziridinyl-n,n-bis(2-chloroethy..."	"CC(O)CCOP(=O)(N(CCCl)CCCl)N1CC1"	0	""	""	2	1	"323645"	NA
"285689"	285689	"benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]a..."	"CCOC(=O)c1ccc(NC(=O)Nc2nncs2)cc1"	0	""	""	2	2	"323649"	"69123495"
"285705"	285705	"sinulariolide"	"C\C\1=C/CCC2(C)OC2CC3CCC(C)(OC(=O)C3=C)C(O)CC1"	0	""	""	1	1	"5458570"	"56326251"
"285706"	285706	"Sinularin"	"C\C\1=C/CCC(C)(O)C2CC(CCC3(C)OC3CC1)C(=C)C(=O)O2"	0	NA	NA	6	5	"571366"	"65669729"
"286122"	286122	"6-Chloro-3'-methylidenespiro[2,3-dihydrochromene-4,5'-oxolane]-2'-one"	"Clc1ccc2OCCC3(CC(=C)C(=O)O3)c2c1"	0	""	""	2	2	"323667"	NA
"286136"	286136	"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(OC2=C(CC=C(Cl)Cl)C(=O)c3ccccc3C2=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	"323672"	NA
"286161"	286161	"Crassin cinnamate"	"C\C\1=C/CCC(C)(O)C2CC(C(C\C(=C\CC1)\C)OC(=O)\C=C\c3ccccc3)C(=C)C(=O)O2"	0	""	""	2	2	"5458572"	NA
"286193"	286193	"tiazofurin"	"NC(=O)c1csc(n1)C2OC(CO)C(O)C2O"	0	NA	NA	16	11	"144182"	"60084108"
"286628"	286628	"5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-tride..."	"CC1OC(CC(N)C1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OCc6ccccc6)c5C(=O)c4c(O)c23)C(=O)C"	0	NA	NA	3	3	"571403"	"67903597"
"287069"	287069	"Epicorazine A"	"OC1C=CC(=O)C2CC34SSC5(CC6C(C(O)C=CC6=O)N5C3=O)C(=O)N4C12"	0	""	""	2	2	"155232"	"62256057"
"287450"	287450	"Oliverine"	"COC1C2N(C)CCc3cc4OCOc4c(c5ccc(OC)cc15)c23"	0	NA	NA	2	1	"571463"	"53648990"
"287459"	287459	"Cytarabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	"Ds"	"FDA approved"	2	2	"-1"	"147944"
"287513"	287513	"ametantrone acetate"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	2	2	"144518"	"70711409"
"289074"	289074	"Dienone B"	"NC(=O)CC1(O)C=C(Br)C(=O)C(=C1)Br"	0	""	""	2	2	"100324"	"17194819"
"289098"	289098	"BRD-K58304294-001-01-5"	"C\C(=N/NC(=S)N1CCCCC1)\c2ccccn2"	0	""	""	2	2	"5484390"	"71555287"
"289117"	289117	"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile"	"CCOc1c(C#N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	"324275"	NA
"289487"	289487	"Asterriquinone"	"CC(C)(C=C)n1cc(C2=C(O)C(=O)C(=C(O)C2=O)c3cn(c4ccccc34)C(C)(C)C=C)c5ccccc15"	0	""	""	2	1	"100329"	"60696528"
"289491"	289491	"chetomin"	"CN1C(=O)C2(Cc3cn(c4ccccc34)C56CC78SSC(CO)(N(C)C7=O)C(=O)N8C5Nc9ccccc69)SSC1(CO)C(=O)N2C"	0	NA	NA	1	1	"144901"	"1403367"
"289517"	289517	"l-glutamic acid, n-[4-[[(2-amino-1,4-dihydro-4-oxo- 6-qu..."	"Nc1nc(O)c2cc(NCc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	1	1	"144917"	"56239215"
"289637"	289637	"bredinin"	"NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O"	0	NA	NA	1	1	"144988"	"50924497"
"289645"	289645	"Fcrc57-G"	"COC1=CC(=O)c2c(O)c3C(O)C4(Oc5c(O)c6C(=O)OC(=Cc6cc5CC4O)C)Oc3c(O)c2C1=O"	0	""	""	1	1	"5358914"	NA
"289900"	289900	"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid"	"OC1C(COP(=O)(O)O)OC(C1O)n2cnc3c(NCc4occc4)ncnc23"	0	""	""	2	2	"324451"	"13484678"
"289901"	289901	"5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C(O)C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	1	"324452"	"17242885"
"289922"	289922	"phosphonium, triphenylpropenyl-, bromide, (e)- (8ci)"	"C\C=C\[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	"10714966"	"28691761"
"290069"	290069	"2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid"	"OCl(=O)(=O)=O.C1C[N+]2(CC2)[Mn+3]345([O-]c6ccccc6C=[N+]3CC[N+]47CC7)[O-]c8ccccc8C=[N+]15"	0	""	""	1	1	"54607439"	NA
"290136"	290136	"Ivalbatin acetate"	"CC1C(CC2C(OC(=O)C2=C)C=C1CCC(=O)C)OC(=O)C"	0	NA	NA	1	1	"145090"	"37163910"
"290193"	290193	"ciclosporin"	"CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C"	0	""	"FDA approved"	2	1	"-1"	"59865133"
"290433"	290433	"Coumarin 30"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C"	0	""	""	2	2	"100335"	"41044126"
"290437"	290437	"dbtc"	"CCN1\C(=C\C(=C\c2sc3ccc4ccccc4c3[n+]2CC)\C)\Sc5ccc6ccccc6c15"	0	NA	NA	2	2	"571837"	"7423316"
"290494"	290494	"chaparrinone, 6a-senecioyloxy"	"CC1C(O)C2(O)OCC34C1CC(=O)OC3C(OC(=O)C=C(C)C)C5C(=CC(=O)C(O)C5(C)C24)C"	0	NA	NA	12	10	"571843"	"68499525"
"290511"	290511	"N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide"	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3c2ncn3C)C(O)C1O"	0	""	""	2	2	"324540"	NA
"290555"	290555	"benzoic acid, 3,3'-methylenebis(6-hydroxy-, compd. with ..."	"NCC1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl.OC(=O)c3cc(Cc4ccc(O)c(c4)C(=O)O)ccc3O"	0	""	""	1	1	"431216"	NA
"290806"	290806	".beta.-d-glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-,..."	"C[As](C)SC1OC(CO)C(O)C(O)C1NC(=O)C"	0	""	""	2	2	"324686"	"76235284"
"290813"	290813	"9,10-anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]..."	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"45261553"	NA
"290977"	290977	"benzyl N-(2,4,5-trichlorophenyl)carbamodithioate"	"Clc1cc(Cl)c(NC(=S)SCc2ccccc2)cc1Cl"	0	""	""	1	1	"4985501"	NA
"291049"	291049	"2-[(Z)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran"	"[O-][N+](=O)c1oc(\C=C(\c2oc(cc2)[N+](=O)[O-])/S(=O)(=O)c3ccccc3)cc1"	0	""	""	1	1	"6072945"	"53288634"
"291056"	291056	"methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate"	"COC(=O)c1oc(\C=C(/c2oc(cc2)[N+](=O)[O-])\S(=O)(=O)c3ccc(NC(=O)C)cc3)cc1"	0	""	""	1	1	"5358937"	"53828845"
"291094"	291094	"6-(Ethylamino)quinoline-5,8-dione"	"CCNC1=CC(=O)c2ncccc2C1=O"	0	NA	NA	1	1	"145403"	NA
"291308"	291308	"terrein"	"C\C=C\C1=CC(=O)C(O)C1O"	0	NA	NA	6	2	"145439"	"582467"
"291312"	291312	"8-hydroxy verrucarin a"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C=C(C)C(O)CC4(COC(=O)C1O)C2(C)C35CO5"	0	NA	NA	2	2	"571935"	NA
"291317"	291317	"4h-1-benzopyran-3-carboxaldehyde, 4-oxo-"	"O=CC1=COc2ccccc2C1=O"	0	""	""	1	1	"87112"	"17422741"
"291329"	291329	"aplasmomycin"	"CC1OC2CC1OC(=O)C3[O+]4B56OC78OC(CCC7C)C(C)(C)C(C\C=C/2)O[Ag]49(O)OC(C\C=C/C%10CC(OC(=O)C8[O+]59)C(C)O%10)C(C)(C)C%11CCC(C)C3(O%11)O6"	0	NA	NA	2	2	"571943"	NA
"291330"	291330	"Happtsc"	"C\C(=N/NC(=S)Nc1ccccc1)\c2ccccn2"	0	""	""	2	2	"5369910"	"63698066"
"291534"	291534	""	"C[n+]1[se]c2ccccc2c1Cl"	0	NA	NA	2	1	"571944"	"60940252"
"291643"	291643	"Pyrimidineacetaldehyde derivative"	"OC[C@@H](O[C@H](C=O)C1=CNC(=O)NC1=O)C=O"	0	NA	NA	8	3	"145498"	"86762358"
"291925"	291925	"ARONIS016812"	"Clc1ccc(NC(=O)Nc2nccs2)cc1"	0	""	""	1	1	"324932"	"69123553"
"291926"	291926	"6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione"	"Oc1ccc(O)c2C(=O)c3cnccc3C(=O)c12"	0	""	""	1	1	"431317"	"4589371"
"291927"	291927	"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate"	"CCOC(=O)c1ccc(NC(=O)NC2=NCCS2)cc1"	0	""	""	2	2	"324933"	"69123484"
"292147"	292147	"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one"	"OC1N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	2	2	"324952"	"62584081"
"292206"	292206	"Rustaiyan A"	"CC(=C)C(=O)OC1CC2=CC(CC3(C)OC3C4OC(=O)C(=C)C14)OC2=O"	0	NA	NA	3	2	"145645"	NA
"292222"	292222	"maytansine deriv"	"COC1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4"	0	NA	NA	1	1	"571989"	"66584723"
"292256"	292256	"Methyl 4-hydroxy-2-methoxybenzenecarbodithioate"	"COc1cc(O)ccc1C(=S)SC"	0	""	""	1	1	"324995"	"62070808"
"292463"	292463	"Monoacetyl verrucarin A epoxide"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1OC(=O)C)C2(C)C36CO6"	0	NA	NA	4	3	"572040"	"2841829"
"292567"	292567	"nigericin"	"COC1CC(CC2CCC(C)C(O2)C(C)C(=O)O)OC3(OC(C)(CC3C)C4CCC(C)(O4)C5OC(CC5C)C6OC(O)(CO)C(C)CC6C)C1C"	0	NA	NA	6	4	"572042"	"28643803"
"292596"	292596	"Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate"	"[Cl-][Pt+2](O)(O)[SH-]CCN1CCC(C)CC1"	0	""	""	1	1	"431390"	NA
"292663"	292663	"eurecurvin"	"CCC(C)C(=O)OC1\C=C(/C)\C(O)CC(OC(=O)C)\C(=C\C2OC(=O)C(=C)C12)\CO"	0	NA	NA	2	2	"572069"	"66922256"
"292684"	292684	"urea, n-[2-[(2-chloroethyl)thio]ethyl]-n'-cyclohexyl-n-n..."	"ClCCSCCN(N=O)C(=O)NC1CCCCC1"	0	""	""	3	3	"325087"	"66929508"
"292685"	292685	"5,12-naphthacenedione, 10-[[3-(decylamino)-2,3,6-trideox..."	"CCCCCCCCCCNC1CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(O)CO)OC(C)C1O"	0	NA	NA	4	2	"572071"	NA
"292816"	292816	"1-butanone, 1,1'-(9-ethyl-9h-carbazole-3,6-diyl)bis[4-(d..."	"CCn1c2ccc(cc2c3cc(ccc13)C(=O)CCCN(C)C)C(=O)CCCN(C)C"	0	NA	NA	2	2	"145804"	"56109672"
"292817"	292817	"1-butanone, 1,1'-(9-ethyl-9h-carbazole-3,6-diyl)bis[4-(1..."	"CCn1c2ccc(cc2c3cc(ccc13)C(=O)CCCN4CCCCC4)C(=O)CCCN5CCCCC5"	0	NA	NA	2	2	"572087"	"53428196"
"292928"	292928	"Benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	"Cc1nc(cc(OCc2ccccc2)c1C)C(=O)OCc3ccccc3"	0	""	""	2	1	"325113"	NA
"293015"	293015	"4h-1-benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dieth..."	"CCN(CC)CCOC(=O)Cc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	NA	NA	8	2	"572097"	"87626571"
"293046"	293046	"carbamimidothioic acid, (4-oxo-2-phenyl-4h-1-benzopyran-..."	"NC(=N)SCc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	2	1	"431425"	NA
"293061"	293061	"Compound 77-6"	"Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(cc2Cl)N=C=S"	0	""	""	1	1	"175110"	"72670623"
"293074"	293074	"BTSHWGAQAYYNFK-RELWKKBWSA-N"	"C\C(=N/NC(=S)N1CCCCCCCCCCCC1)\c2ccccn2"	0	""	""	2	2	"9554758"	"71555447"
"293100"	293100	"Honokiol"	"Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O"	0	""	""	2	1	"72303"	"35354746"
"293161"	293161	"2-[7-[3-(Carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid"	"CC1OC(CC(=O)O)Cc2c(O)c3C(=O)C(=CC(=O)c3c(O)c12)C4=CC(=O)c5c(O)c6C(C)OC(CC(=O)O)Cc6c(O)c5C4=O"	0	""	""	3	2	"325174"	"15828929"
"293856"	293856	NA	NA	0	NA	NA	1	1	"146068"	NA
"293895"	293895	"D 2928"	"CN1C(=O)N(C)c2nc(N3CCOCC3)n(CCCNCC(O)c4ccc(O)c(O)c4)c2C1=O"	0	""	""	1	1	"431464"	NA
"294126"	294126	"carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-"	"Oc1cccc(\C=N\NC(=O)N\N=C\c2cccc(O)c2O)c1O"	0	""	""	1	1	"135429886"	NA
"294149"	294149	"S-(3-(hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	"NC(CSc1nc2ccccn2c1[N+](=O)[O-])C(=O)O"	0	""	""	1	1	"325414"	"62194881"
"294244"	294244	"1,3-benzenedimethanamine, 2-(bromodiphenylstannyl)-n,n,n..."	"CN(C)Cc1cccc(CN(C)C)c1[Sn](Br)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"325476"	NA
"294526"	294526	""	"CCNC1=S[Pd]2(Cl)N3CCCCC3C(=[N+]2N1)c4ccccc4"	0	NA	NA	2	2	"572242"	NA
"294530"	294530	"2-[(4E)-1,5-dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid"	"CC(C(=O)O)C12CCC3(C)C1C\C(=N/Nc4ccc(cc4)[N+](=O)[O-])\C(C)C3C2=O"	0	""	""	1	1	"6377377"	NA
"294577"	294577	"horminon"	"CC(C)C1=C(O)C(=O)C2=C(C(O)CC3C(C)(C)CCCC23C)C1=O"	0	NA	NA	1	1	"146376"	"21887014"
"294580"	294580	"Costatone"	"C\C(=C\Cl)\[C@@H]1CC(=C(C)[C@@](O)(O1)C(Br)Br)Cl"	0	""	""	1	1	"5359027"	"63023596"
"294600"	294600	"melampodinin"	"COC(=O)\C\1=C\C2OC2\C(=C\C3OC(=O)C(=C)C3C(OC(=O)C(C)(O)C(C)OC(=O)C)C1OC(=O)C)\C"	0	NA	NA	2	2	"146381"	"60295536"
"294601"	294601	"enhydrin a"	"COC(=O)\C\1=C\CC[C@@]2(C)OC2C3OC(=O)C(=C)C3[C@@H](OC(=O)C4(C)OC4C)C1OC(=O)C"	0	NA	NA	4	4	"146382"	NA
"294608"	294608	"G9SUZ33DVO"	"CCCCCCCCCCCCN(O)C(=O)c1ccccc1"	0	""	""	1	1	"325612"	"56918980"
"294712"	294712	"Lobolide"	"CC(=O)OCC12CC\C=C(/C)\CC\C=C(/C)\CC3OC(=O)C(=C)C3CC1O2"	0	""	""	1	1	"5359032"	"64180718"
"294734"	294734	"Terreic Acid"	"CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O"	0	""	""	6	6	"91437"	NA
"294814"	294814	"3-azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyri..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccccn3"	0	""	""	2	2	"5361900"	"71555470"
"294846"	294846	"Cinnoline, 4-nitro-, 1-oxide"	"[O-][N+](=O)c1cn[n+]([O-])c2ccccc12"	0	""	""	1	1	"100397"	"13657993"
"294858"	294858	""	"CN1P(F)(F)[Fe]23(C#O)(C#O)C(=O)[Fe]2(C#O)(C#O)(P(F)(F)N(C)P3(F)F)P1(F)F"	0	NA	NA	2	2	"572281"	NA
"294921"	294921	"Lupene triol"	"CC(=C)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12"	0	NA	NA	1	1	"146537"	"61229183"
"294961"	294961	"3-phenacyliden-5-brom-2-indolinon"	"Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)\c2c1"	0	NA	NA	2	1	"572320"	"70452301"
"294979"	294979	"bleomycin bapp"	"CCCCNCCCNCCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NCC(N)C(=O)N)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(=O)N)C5O)c6c[nH]cn6)C(C)O)n2"	0	NA	NA	3	3	"301241"	NA
"294980"	294980	"p-n,n-di(2-chloroethyl)toluidine"	"Cc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	"100400"	"1204688"
"295084"	295084	"5h-benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-2-..."	"COc1ccc2C(=O)C(Br)CCCc2c1"	0	""	""	2	2	"325766"	"72472436"
"295085"	295085	"5h-benzocyclohepten-5-one, 6,6-dibromo-6,7,8,9-tetrahydr..."	"COc1cc2CCCC(Br)(Br)C(=O)c2cc1[N+](=O)[O-]"	0	""	""	2	2	"325767"	"71089264"
"295272"	295272	"2-(hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol"	"OCC1OC(C(O)C1O)n2cnc3c(\C=C(\O)/c4ccccc4)ncnc23"	0	""	""	2	2	"135476744"	"73719912"
"295391"	295391	""	"NC(=O)c1cn(C2CC(O)C(CO)O2)c3ncnc(N)c13"	0	NA	NA	2	2	"146682"	"83379286"
"295425"	295425	"grosheimin"	"CC1C2C3OC(=O)C(=C)C3C(O)CC(=C)C2CC1=O"	0	NA	NA	1	1	"146704"	"22489663"
"295426"	295426	"Alatolid"	"CC(C)C(=O)OC1C\C(=C\CC\C(=C\C2OC(=O)C(=C)C12)\CO)\CO"	0	NA	NA	2	2	"146705"	"41929106"
"295427"	295427	"eupatoriopicrine"	"C\C\1=C/C2OC(=O)C(=C)C2C(C\C(=C/CC1)\C)OC(=O)\C(=C\CO)\CO"	0	NA	NA	1	1	"572384"	NA
"295466"	295466	"ALBB-031223"	"[O-][N+](=O)\C=C\c1cccc(F)c1"	0	""	""	1	1	"5702506"	"705840"
"295473"	295473	"alpha-methoxyhydantoic acid"	"COC(NC(=O)N)C(=O)O"	0	""	""	1	1	"325890"	"64732178"
"295499"	295499	"Camptothecin Derivative"	"COc1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)C(O)(CC(=O)N6CCOCC6)C(=O)OC4"	0	"TOP1"	""	7	7	"325910"	NA
"295500"	295500	"Camptothecin Derivative"	"COC(=O)CC1(O)C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"325911"	NA
"295501"	295501	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"325912"	NA
"295505"	295505	"c 829"	"CC(CN(C)C)Nc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	1	"21120490"	"65094737"
"295563"	295563	"2-butenoic acid, 2,3-dibromo-4-[[(4-methylphenyl)sulfony..."	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C(=C(\Br)/C(=O)O)\Br"	0	""	""	2	1	"54607416"	NA
"295565"	295565	"Kidamycin"	"C\C=C(/C)\C1=CC(=O)c2c(C)cc3C(=O)c4c(cc(C5CC(C)(C(O)C(C)O5)N(C)C)c(O)c4C(=O)c3c2O1)C6CC(C(O)C(C)O6)N(C)C"	0	NA	NA	2	2	"146805"	"11072825"
"295566"	295566	"Neopluramycin"	"C\C=C(/C)\C1=CC(=O)c2c(C)cc3C(=O)c4c(cc(C5CC(C)(C(OC(=O)C)C(C)O5)N(C)C)c(O)c4C(=O)c3c2O1)C6CC(C(O)C(C)O6)N(C)C"	0	""	""	2	2	"5359061"	NA
"295633"	295633	""	"CCN(CC)CCCC(CCl)Nc1ccnc2cc(Cl)ccc12"	0	NA	NA	1	1	"572417"	"77529976"
"295641"	295641	"hydrazinecarbodithioic acid, [1-(2-pyridinyl)ethylidene]..."	"C\C(=N/NC(=S)SCc1ccccc1)\c2ccccn2"	0	""	""	2	2	"5955229"	"26158474"
"295642"	295642	""	"CC1=[N+]2[N-]C(=S[Cu+]2([ClH-])[n+]3ccccc13)SCc4ccccc4"	0	NA	NA	2	2	"572422"	NA
"296300"	296300	"hydrazinecarbothioamide, n-[4-(diethylamino)-1-methylbut..."	"CCN(CC)CCCC(C)NC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	1	1	"54598640"	"70618701"
"296301"	296301	""	"C\C(=N/NC(=S)NC1CCCCC1)\c2ccccn2"	0	NA	NA	2	2	"147002"	"70618530"
"296934"	296934	"Teroxirone"	"O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4"	0	"A7"	""	9	8	"17142"	"2451629"
"296964"	296964	"triglycidylisocyanurate"	"O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4"	0	NA	NA	1	1	"147096"	"2451629"
"297093"	297093	"1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thieny..."	"CC1(C)OC(=O)C(=Cc2ccc(s2)[N+](=O)[O-])C(=O)O1"	0	""	""	1	1	"326210"	"62390992"
"297353"	297353	"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline"	"Clc1ccccc1CN2COc3c(C2)cc(Cl)c4cccnc34"	0	""	""	1	1	"326313"	"50595078"
"297360"	297360	"Bionet2_000691"	"Clc1ccc(CN2COc3c(C2)cc(Cl)c4cccnc34)cc1"	0	""	""	2	2	"326320"	"41957840"
"297361"	297361	"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	"Clc1ccccc1CN2COc3c(C2)ccc4cccnc34"	0	""	""	1	1	"326321"	NA
"297366"	297366	"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	"Fc1ccccc1CN2COc3c(C2)cc(Cl)c4cccnc34"	0	""	""	1	1	"326326"	NA
"298197"	298197	"VZ27697"	"Oc1ccc(N=Nc2nccs2)c(O)c1"	0	""	""	1	1	"75253"	"2246460"
"298223"	298223	"cc-1065"	"COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8CC89C7=CC(=O)c%10[nH]cc(C)c9%10)C(=O)N"	0	NA	NA	5	4	"147512"	"69866213"
"298276"	298276	"ethanediamide, n,n'-bis[[1-(1,1-dimethylethyl)-2-aziridi..."	"CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C"	0	""	""	5	3	"326600"	NA
"298509"	298509	"3-(2,3-Dihydrobenzo[d]oxazol-2-yl)benzo thioamide"	"NC(=S)c1cccc(c1)C2Nc3ccccc3O2"	0	""	""	1	1	"3374653"	NA
"298823"	298823	"hydrazinecarboximidamide, 2-[1-(9h-fluoren-2-yl)ethylide..."	"CNC(=N)N\N=C(/C)\c1ccc2c(Cc3ccccc23)c1"	0	""	""	1	1	"54607521"	"77476063"
"299117"	299117	"sendanin"	"CC(=O)OC1CC(O)C23COC(O[Ac])C1(C)C2CC(O)C4(C)C3C(=O)C(O[Ac])C5(C)C(CC6OC456)c7cocc7"	0	""	""	2	2	"5464491"	"62078288"
"299130"	299130	"ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam..."	"NC1=S[Fe+2]2([O-]S(=O)(=O)O)[N+](=Cc3cccc[n+]23)[N-]1"	0	""	""	1	1	"3337459"	NA
"299209"	299209	"4-((3-Quinolinylmethyl)amino)benzenesulfonamide"	"NS(=O)(=O)c1ccc(NCc2cnc3ccccc3c2)cc1"	0	""	""	1	1	"182334"	"62294820"
"299514"	299514	"9J2BCV8VXC"	"CCOC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3"	0	""	""	2	2	"326899"	"27146163"
"299545"	299545	"eurecurvin"	"CCC(C)C(=O)OC1\C=C(/C)\C(O)CC(OC(=O)C)\C(=C\C2OC(=O)C(=C)C12)\CO"	0	NA	NA	1	1	"572709"	"66922256"
"299587"	299587	"Formoterol Fumarate"	"COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1"	0	NA	NA	1	1	"147911"	"43229807"
"299863"	299863	"benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.,.alpha.-b..."	"COc1cc(cc(OC)c1C(O)(c2c(OC)cc(cc2OC)C(C)(C)C)c3c(OC)cc(cc3OC)C(C)(C)C)C(C)(C)C"	0	""	""	2	1	"326946"	NA
"299878"	299878	"4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one"	"COc1ccc2C(=CC(=O)Oc2c1)CSCCBr"	0	""	""	1	1	"326958"	NA
"299879"	299879	"NCIMech_000462"	"COc1cc2OC(=O)C=C(C)c2cc1[N+](=O)[O-]"	0	""	""	2	1	"326959"	NA
"299922"	299922	"isovelleral"	"CC1(C)CC2C=C(C=O)C3(CC3(C)C2C1)C=O"	0	NA	NA	2	2	"147983"	"37841911"
"299933"	299933	"thapsigargin"	"CCCCCCCC(=O)OC1C(OC(=C)\C(=C\C)\C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C"	0	NA	NA	7	3	"572740"	"67526958"
"299934"	299934	"Thapsia villosa compd"	"CCCCC(=O)OC1C(OC(=O)\C(=C\C)\C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCCC)C"	0	NA	NA	2	2	"572741"	NA
"299936"	299936	"totarol"	"CC(C)c1c(O)ccc2c1CCC3C(C)(C)CCCC23C"	0	""	""	1	1	"326995"	"511159"
"300288"	300288	"1h-benz[de]isoquinoline-1,3(2h)-dione, 2-[2-(dimethylami..."	"CN(C)CCN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-]"	0	""	""	3	2	"327044"	"54824178"
"300289"	300289	"Pinafide"	"[O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	2	2	"327045"	"54824203"
"301189"	301189	"piperidinium, 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene..."	"[O-][N+](=O)c1ccc(cc1)C2=CSC(=[N+]3CCCCC3)S2"	0	NA	NA	2	2	"572824"	"24372712"
"301457"	301457	"Cycloalkannin"	"CC1(C)CC[C@@H](O1)c2cc(O)c3C(=O)C=CC(=O)c3c2O"	0	NA	NA	4	3	"572831"	"64981700"
"301460"	301460	"trichopolyn"	"CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N2C(CC(=O)CC)CC(C)CC2C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO"	0	NA	NA	2	2	"572832"	NA
"301477"	301477	"Antineoplastic-301477"	"COC1C(N)CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC1C"	0	NA	NA	3	3	"572837"	"77121905"
"301480"	301480	"1h-pyrrole-3,4-dimethanol, 2-[1,1'-biphenyl]-4-yl-1,5-di..."	"CNC(=O)OCc1c(C)n(C)c(c1COC(=O)NC)c2ccc(cc2)c3ccccc3"	0	""	""	2	2	"327239"	"70889199"
"301739"	301739	"Mitoxantrone"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	"TOP2"	"FDA approved"	13	11	"-1"	"70476823"
"302035"	302035	"Melampodin B acetate"	"CC(=O)OC\C\1=C/C2OC(=O)C(=C)C2C3OC(=O)C(=C3)C(CC1)OC(=O)C"	0	""	""	3	3	"5359212"	"51212987"
"302042"	302042	"propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-"	"CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(=O)O"	0	""	""	1	1	"327338"	NA
"302286"	302286	"Bohlmann K2604"	"CC1CC(O)CC2C(OC(=O)C=C(C)C)C(O)C(CC12C)C(=C)C"	0	""	""	1	1	"327375"	NA
"302288"	302288	"Bohlmann K2630"	"COc1cc(ccc1OC(=O)C(C)C)C(COC(=O)C(C)(C)OC(=O)C)C=C"	0	""	""	2	2	"327377"	NA
"302289"	302289	"Bohlmann K2631"	"CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12"	0	NA	NA	1	1	"148417"	"80367948"
"302325"	302325	"2,4-pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"327404"	"21813354"
"302358"	302358	"piperidinium, 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylide..."	"COc1ccc(cc1)C2=CSC(=[N+]3CCCCC3)S2.OS(=O)(=O)O"	0	NA	NA	1	1	"148456"	"24372734"
"302584"	302584	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-"	"[O-][N+](=O)c1ccc(Sc2ncccn2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"163121"	"66474531"
"302600"	302600	"diethyldichlorotin"	"CC[Sn](Cl)(Cl)CC"	0	""	""	2	2	"91491"	"866557"
"302867"	302867	"3h-pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyp..."	"CCOC(=O)C1=C(N)NC(=N)/C/1=N\c2ccc(OC)cc2"	0	""	""	1	1	"135452461"	"79823715"
"302979"	302979	"Shikoccin"	"CC(=O)OC1CCC2(C)C(CC(O)C3=CC(CCC2=O)C(=C)C3=O)C1(C)C"	0	""	""	2	2	"327536"	"73211117"
"302991"	302991	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"2538"	"31456254"
"303289"	303289	"cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl e..."	"N=C1CCCC1C(=S)SCCC#N"	0	""	""	1	1	"327580"	"63018111"
"303530"	303530	"1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane"	"Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1"	0	""	""	1	1	"327606"	"64762534"
"303534"	303534	"oxazolidine, 3-[(cyclohexyloxy)methyl]-4,4-dimethyl-"	"CC1(C)COCN1COC2CCCCC2"	0	""	""	1	1	"327610"	NA
"303607"	303607	"(E)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid"	"C\C(=C/c1ccc(Cl)cc1)\C(C)(C)C(=O)O"	0	""	""	1	1	"5384034"	"55078303"
"303751"	303751	"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	"O=C1Nc2ccccc2SC1C3SC(=S)N(Cc4ccccc4)C3=O"	0	""	""	2	2	"327685"	"54255311"
"303769"	303769	"2-isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one"	"CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc3ccc4ccccc4c3"	0	""	""	2	2	"327703"	"78503852"
"303812"	303812	"Aphidicoline glycinate"	"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@]23CC[C@@]4(O)COC(=O)CN"	0	"Ds"	""	15	12	"-1"	"92803822"
"303861"	303861	"l-cysteine analog"	"CCOC(=O)C(N)CSC(=O)NC"	0	NA	NA	8	3	"573035"	"51785990"
"303870"	303870	"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	"S=C1SCN(Cc2ccccc2)CN1Cc3occc3"	0	""	""	1	1	"327741"	"26105646"
"303872"	303872	"toness"	"CCC(c1ccccc1)c2noc(CCN(CC)CC)n2"	0	""	""	2	2	"8589"	"132354"
"304393"	304393	"hydrazinecarboximidamide, 2,2'-(9h-fluorene-2,7-diyldiet..."	"CNC(=N)N\N=C(/C)\c1ccc2c(Cc3cc(ccc23)\C(=N\NC(=N)NC)\C)c1"	0	""	""	2	2	"54610854"	"77476223"
"304421"	304421	"Leurosine N-oxide"	"CCC12C[N+]3([O-])CCc4c([nH]c5ccccc45)C(CC(C3)C1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)C8C(O)(C(OC(=O)C)C9(CC)C=CCN%10CCC78C9%10)C(=O)OC"	0	NA	NA	1	1	"573068"	NA
"304425"	304425	"tallysomycin s2b"	"CC(O)C(\N=C(\O)/CC(O)C(C)\N=C(\O)/C(\N=C(/O)\c1nc(nc(N)c1C)C(CC(=N)O)NCC(N)C(=N)O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=N)O)C3O)c4c[nH]cn4)\C(=N\C(OC5OC(C)C(N)C(O)C5O)C(O)c6nc(cs6)c7nc(cs7)\C(=N\CCCS(C)C)\O)\O"	0	NA	NA	2	2	"301245"	NA
"304426"	304426	"tallysomycin s10b"	"CC(O)C(NC(=O)CC(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NC(OC5OC(C)C(N)C(O)C5O)C(O)c6nc(cs6)c7nc(cs7)C(=O)NCCCCN"	0	NA	NA	2	2	"301247"	NA
"304610"	304610	"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda(5)-oxazaphosphole"	"COc1ccc(cc1)C2=NOP(C2)(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	2	2	"9571209"	"71426749"
"304636"	304636	"ISUPSL100300"	"COc1cc2cnc(cc2cc1OC)c3ccccc3"	0	""	""	1	1	"327861"	"24285107"
"304940"	304940	"linichlorina a"	"CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]3OC(=O)C(=C)[C@H]13"	0	""	""	1	1	"182337"	"62462980"
"305222"	305222	"cytochalasin h"	"CC1C\C=C\C2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)\C=C\C(C)(O)C1"	0	NA	NA	12	10	"453690"	"53760193"
"305329"	305329	"3-(1H-benzimidazol-2-ylamino)isoindol-1-one"	"O=C1N\C(=N/c2nc3ccccc3[nH]2)\c4ccccc14"	0	""	""	1	1	"135452472"	"59548377"
"305352"	305352	"zimelidine hydrochloride"	"CN(C)C\C=C(\c1ccc(Br)cc1)/c2cccnc2"	0	NA	NA	1	1	"573216"	"60525157"
"305458"	305458	"2-propenamide, n-[2-(decylthio)-1-(hydroxymethyl)ethyl]-..."	"CCCCCCCCCCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	6	5	"453775"	NA
"305489"	305489	"pseudolycorine hydrochloride"	"COc1cc2CN3CCC4=CC(O)C(O)C(C34)c2cc1O"	0	NA	NA	1	1	"573226"	"82372676"
"305530"	305530	"1-[[5-(p-fluorophenyl)-2-furanyl]methyleneamino]hydantoin"	"Fc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)cc2"	0	""	""	1	1	"9568687"	"16118186"
"305761"	305761	"1-(3,4-dichlorophenyl)-3-(4-(1-ethylpiperidin-3-ylamino)..."	"CCN1CCCC(C1)Nc2cc(C)nc(NC(=N)Nc3ccc(Cl)c(Cl)c3)n2"	0	""	""	1	1	"54610863"	NA
"305762"	305762	"2-[(Z)-[(E)-1,3-bis(4-chlorophenyl)but-2-enylidene]amino]guanidine;hydrochloride"	"C\C(=C\C(=N\NC(=N)N)\c1ccc(Cl)cc1)\c2ccc(Cl)cc2"	0	""	""	2	1	"54602148"	"29456777"
"305767"	305767	"2,4-quinazolinediamine, 6-[(4-chlorophenyl)thio]-"	"Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1"	0	""	""	1	1	"328131"	"51124299"
"305768"	305768	"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine"	"Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)ccc2n1"	0	""	""	2	2	"328132"	"52128162"
"305780"	305780	"ethanol, compd. with 6-(2-naphthalenylthio)-2,4-quinazol..."	"Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1"	0	""	""	3	3	"16682542"	NA
"305782"	305782	"2,4-quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]th..."	"Nc1nc(N)c2cc(Sc3cccc(c3)C(F)(F)F)ccc2n1"	0	""	""	2	2	"100475"	"51123990"
"305783"	305783	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-"	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3ccccc3"	0	""	""	1	1	"328137"	"51123241"
"305784"	305784	"2,4-quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]su..."	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3cccc(c3)C(F)(F)F"	0	""	""	1	1	"328138"	"51123898"
"305787"	305787	"(6,8-dichloro-2-adamantylquinolin-4-yl)-(piperidin-2-yl)..."	"OC(C1CCCCN1)c2cc(nc3c(Cl)cc(Cl)cc23)C45CC6CC(CC(C6)C4)C5"	0	""	""	3	1	"470998"	NA
"305799"	305799	"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	"CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1"	0	""	""	2	2	"328145"	"51124028"
"305802"	305802	"2,4-quinazolinediamine, 5,6,7,8-tetrahydro-6-(2-naphthal..."	"Nc1nc(N)c2CC(CCc2n1)S(=O)(=O)c3ccc4ccccc4c3"	0	""	""	2	2	"173733"	"60368049"
"305805"	305805	""	"COc1cc(NC(C)CCCN)c2nccc(C)c2c1"	0	NA	NA	1	1	"453901"	"57514304"
"305819"	305819	"1-(2,8 -is(trifluoromethyl)quinolin-4-yl)-3-(tert-butyla..."	"CC(C)(C)NCCC(O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F"	0	""	""	3	2	"328154"	NA
"305884"	305884	"acodazole"	"CN(C(=O)C)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1"	0	NA	NA	15	11	"573290"	"55435659"
"305978"	305978	"Herbimycin"	"COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)C2=O"	0	NA	NA	2	2	"573302"	NA
"306107"	306107	"2-naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydrox..."	"Nc1ccc(cc1)C(OC(=O)c2cc3ccccc3c(Cc4c(O)c(cc5ccccc45)C(=O)OC(c6ccc(N)cc6)(c7ccc(N)cc7)c8ccc(N)cc8)c2O)(c9ccc(N)cc9)c%10ccc(N)cc%10"	0	""	""	1	1	"16129848"	NA
"306203"	306203	"2-butenamide, 4-(2,6-dichlorophenyl)-4-oxo-"	"NC(=O)\C=C\C(=O)c1c(Cl)cccc1Cl"	0	""	""	2	2	"5951628"	NA
"306365"	306365	"quino[8,7-h]quinoline-1,7-diamine, n,n'-bis[3-(dimethyla..."	"CN(C)CCCNc1cc(C)nc2c1ccc3c2ccc4c(NCCCN(C)C)cc(C)nc34"	0	""	""	2	2	"24198873"	NA
"306388"	306388	"gold, chloro(triphenylphosphine)-"	"[Cl-][Au+]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"454031"	"14243642"
"306393"	306393	"[4-[[3-[(4-azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver"	"Cc1noc(c1C)[Ag]NS(=O)(=O)c2ccc(cc2)N=Nc3cc(N=Nc4ccc(cc4)S(=O)(=O)N[Ag]c5onc(C)c5C)c6c(NC(=O)C(Cl)Cl)cccc6c3OC(=O)C(Cl)Cl"	0	""	""	1	1	"328256"	NA
"306455"	306455	"2,2'-(4,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))b..."	"OS(=O)(=O)c1ccc2cc3nn(nc3cc2c1)c4ccc(\C=C\c5ccc(cc5S(=O)(=O)O)n6nc7cc8ccc(cc8cc7n6)S(=O)(=O)O)c(c4)S(=O)(=O)O"	0	NA	NA	1	1	"573369"	NA
"306711"	306711	"cuprate(3-), [.mu.-[4-amino-6-[[4'-[[4,5-dihydro-3-methy..."	"[Na+].Cc1nn(c2[O-][Cu+2][O-]c3cc(ccc3[N+](=Nc12)C)c4ccc5N=[N+]6[Cu+2]([O-]c5c4)[O-]c7c6ccc8c(cc(c(N)c78)S(=O)(=O)[O-])S(=O)(=O)[O-])c9ccc(cc9)S(=O)(=O)[O-]"	0	NA	NA	1	1	"573395"	"813419931"
"306736"	306736	"2,3,7-trichloro-10H-phenothiazine-1,4-dione"	"ClC1=C(Cl)C(=O)C2=C(Nc3ccc(Cl)cc3S2)C1=O"	0	""	""	1	1	"328364"	NA
"306752"	306752	"STK061493"	"Clc1cccc(NC(=O)Nn2cnnc2)c1"	0	""	""	2	1	"328377"	"35224670"
"306822"	306822	""	"Cc1ccc(cc1)[Se](=C(C(=O)c2ccccc2)C(=O)c3ccccc3)c4ccc(C)cc4"	0	""	""	1	1	"328406"	NA
"306864"	306864	"Diosgenin tetraglycoside"	"CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(C)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C7OC%10OC(C)C(O)C(O)C%10O"	0	NA	NA	1	1	"454239"	"50773427"
"306911"	306911	".beta.-d-glucopyranose, 2,3-o-(diethylstannylene)-"	"CC[Sn]1(CC)OC2C(O)OC(CO)C(O)C2O1"	0	""	""	1	1	"16683462"	NA
"306951"	306951	"avarol"	"CC1CCC2(C)C(CCC=C2C)C1(C)Cc3cc(O)ccc3O"	0	NA	NA	10	3	"454306"	"55303985"
"306960"	306960	"CH-382"	"OC(=O)c1cnc2cc(OCc3ccccc3)ccc2c1O"	0	""	""	1	1	"328505"	"17825228"
"307241"	307241	"adriamycin deriv., mixt. with hydroxyethyl starch (cross..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	"573437"	NA
"307981"	307981	"Lonchocarpic acid"	"COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3OC(=O)C(=C(O)c13)c4ccc(O)cc4"	0	""	""	1	1	"54683839"	"5490471"
"307990"	307990	"5,12-naphthacenedione, 10-[(3,4-di-o-acetyl-2,6-dideoxy-..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(OC(=O)C)C(OC(=O)C)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	2	2	"454512"	"73113925"
"308606"	308606	"elatericin a"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	9	5	"454578"	"3877869"
"308787"	308787	"10-[(2-Ethoxyphenyl)methylidene]anthracen-9-one"	"CCOc1ccccc1C=C2c3ccccc3C(=O)c4ccccc24"	0	""	""	1	1	"328716"	NA
"308819"	308819	"1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2occc2"	0	""	""	1	1	"6310903"	"4280904"
"308846"	308846	"AG542XU5YV"	"COc1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	1	1	"328772"	"69408997"
"308847"	308847	"Amonafide"	"CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23"	0	"TOP2"	"Clinical trial"	14	2	"50515"	"69408817"
"308849"	308849	"1h-benz[de]isoquinoline-1,3(2h)-dione, 5-amino-2-[2-(1-p..."	"Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	2	1	"328774"	"69408839"
"308879"	308879	"panaxadiol"	"CC1(C)CCCC(C)(O1)C2CCC3(C)C2C(O)CC4C5(C)CCC(O)C(C)(C)C5CCC34C"	0	NA	NA	1	1	"454652"	"19666763"
"308881"	308881	"7h-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.be..."	"OCC1OC(C(O)C1O)n2ccc3c2ncn4ncnc34"	0	""	""	2	2	"328780"	"78582204"
"309401"	309401	"2h-pyrrolo[3,2-f]quinazoline-2,4(3h)-diamine, 3-[(3-amin..."	"Nc1ccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)cc1"	0	NA	NA	2	2	"573494"	"77681426"
"309451"	309451	"tetracenomycin c"	"[R]O.[R]OC.[R]=O.COC1C=C2C=C3C(C(=C2C(=C1C(=O)OC)C)O)C(=O)C4(O)CC=CCC4(O)C3=O"	0	""	""	1	1	"73632"	"71135223"
"309455"	309455	"benzenamine, n,n-bis(2-chloroethyl)-4-ethoxy-, hydrochlo..."	"CCOc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	"21144784"	NA
"309697"	309697	"acetamide, n-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NCc4ccccc4"	0	""	""	2	2	"84072"	"76129152"
"309883"	309883	"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline"	"FC(F)(F)c1cccc(c1)S(=O)(=O)N2C(c3cccnc3)c4cccn4c5ccccc25"	0	""	""	2	1	"328919"	NA
"309895"	309895	"4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile"	"Cc1cc(Cl)ccc1Nc2sc(C(=O)c3oc4ccc(Cl)cc4c3)c(N)c2C#N"	0	""	""	2	2	"328931"	NA
"309909"	309909	"nimbolide"	"COC(=O)CC1C2(C)C(OC3CC(C(=C23)C)c4cocc4)C5OC(=O)C6(C)C=CC(=O)C1(C)C56"	0	NA	NA	2	1	"454861"	"25990378"
"309962"	309962	""	"O[Mo](=O)(=O)O[As](=O)(O[Mo](=O)(=O)O)O[Mo](=O)(=O)O"	0	NA	NA	1	1	"454902"	NA
"310326"	310326	"Maybridge1_000249"	"Clc1ccccc1\N=C/2\SC(=C)C3(CCCCC3)N2C(=O)c4sc5ccccc5c4Cl"	0	""	""	1	1	"329165"	NA
"310340"	310340	"[(E)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate"	"COc1ccc(cc1CN2CCOCC2)\C(=N\OC(=O)c3c(C)onc3c4ccccc4Cl)\C"	0	""	""	1	1	"9555370"	NA
"310342"	310342	"carbamimidothioic acid, [3-(4-chlorophenyl)-1,2,4-oxadia..."	"NC(=N)SCc1onc(n1)c2ccc(Cl)cc2"	0	NA	NA	1	1	"573629"	NA
"310365"	310365	"2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline"	"Nc1ccccc1SCc2csc(n2)c3ccc(Cl)cc3"	0	""	""	2	2	"329202"	NA
"310547"	310547	""	"CSC1=S[Cu]234(S=C(N[N+]2=C(C5CCCCN35)c6ccccc6)SC)N7CCCCC7C(=[N+]4N1)c8ccccc8"	0	NA	NA	2	2	"573646"	NA
"310551"	310551	""	"CSC1=S[Cu]234(S=C(N[N+]2=CC5CCCC(C)N35)SC)N6C(C)CCCC6C=[N+]4N1"	0	NA	NA	2	2	"573650"	NA
"310618"	310618	"manicol"	"CC(=C)[C@@H]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O"	0	NA	NA	2	2	"455227"	NA
"311046"	311046	"Euserotin"	"CC\C(=C\C(=O)OC1C\C(=C\CC\C(=C\C2OC(=O)C(=C)C12)\C(=O)O)\C)\C"	0	""	""	1	1	"54602158"	NA
"311053"	311053	"encelin"	"CC12CC3OC(=O)C(=C)C3CC1C(=C)C(=O)C=C2"	0	NA	NA	2	2	"455305"	"15569503"
"311068"	311068	"pyrimidine, 4-[(2,4-dinitrophenyl)thio]-"	"[O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+](=O)[O-]"	0	""	""	2	2	"329304"	"73768680"
"311152"	311152	"9-hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate"	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1"	0	NA	NA	17	16	"573695"	"81531580"
"311153"	311153	"9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate"	"Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c4c5cc(O)ccc5[nH]c14"	0	NA	NA	8	6	"573696"	"81531604"
"311165"	311165	"benzenamine, n-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]..."	"CC1(C)CC2(C)OC2C3(C1)O\C(=N/c4ccccc4)\N=N3"	0	""	""	1	1	"329319"	NA
"311432"	311432	"STK788929"	"CC1=CC(=C(C(C2=C(O)C=C(C)NC2=O)c3ccncc3)C(=O)N1)O"	0	""	""	1	1	"54697754"	NA
"311725"	311725	"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine"	"[O-][N+](=O)c1cnc(Sc2ccncn2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"100519"	"75477699"
"311727"	311727	"5-nitro-2-(4-pyrimidylthio)thiazole"	"[O-][N+](=O)c1cnc(Sc2ccncn2)s1"	0	""	""	2	2	"100520"	"75464903"
"311978"	311978	"1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one"	"CC(C\N=C(\CC(=O)c1ccc(Br)cc1)/c2ccccc2)\N=C(\CC(=O)c3ccc(Br)cc3)/c4ccccc4"	0	""	""	1	1	"329419"	NA
"312033"	312033	"Straital B"	"CC(C)C1=C2[C@H]3[C@@H](O)C=C(C=O)[C@@H]4[C@H](O[C@@H]5OC[C@@H](OC(=O)C)C(=O)[C@]45O)[C@]3(C)CC[C@@]2(C)CC1"	0	""	""	3	2	"329431"	NA
"312439"	312439	"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate"	"[O-][N+](=O)C(F)(COC(=S)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"329459"	"70096912"
"312621"	312621	"prieurianin from guarea trichilioides"	"CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)C12C)C4(C)C(CC(=O)OC(C)(COC(=O)C)C4CC(=O)OC)OC(=O)C"	0	NA	NA	2	2	"455524"	"57672910"
"312825"	312825	"Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane"	"CC(C)(OCc1ccccc1)c2ccccc2P(c3ccccc3)c4ccccc4"	0	""	""	1	1	"329532"	"81073054"
"312887"	312887	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	15	11	"-1"	"75607679"
"313157"	313157	"4,7-quinolinediamine, n(4),n(4')-1,6-hexanediylbis(n(7),..."	"CN(C)c1ccc2c(NCCCCCCNc3cc(C)nc4cc(ccc34)N(C)C)cc(C)nc2c1"	0	""	""	1	1	"329576"	NA
"313158"	313158	"4,7-quinolinediamine, n(4),n(4')-1,8-octanediylbis(n(7),..."	"CN(C)c1ccc2c(NCCCCCCCCNc3cc(C)nc4cc(ccc34)N(C)C)cc(C)nc2c1"	0	""	""	1	1	"329577"	NA
"313159"	313159	"4,7-quinolinediamine, n(4),n(4')-1,6-hexanediylbis[n(7),..."	"CN(C)c1ccc2c(NCCCCCCNc3ccnc4cc(ccc34)N(C)C)ccnc2c1"	0	""	""	1	1	"329578"	NA
"313430"	313430	"2-[[2-Benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenylprop-2-en-1-one"	"CC(C)(C)N(CC(=C)C(=O)c1ccccc1)CC(=C)C(=O)c2ccccc2"	0	""	""	2	2	"329639"	"75030647"
"313432"	313432	"Etibendazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C3(OCCO3)c4ccc(F)cc4"	0	""	""	2	2	"71745"	"64420402"
"313680"	313680	"flubenol"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3"	0	""	""	2	2	"35802"	"31430156"
"313681"	313681	"peromide"	"O=C1Nc2ccccc2N1C3CCN(CCOc4ccccc4)CC3"	0	""	""	1	1	"68634"	"5322532"
"313935"	313935	"N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine"	"ClCCN(CCCl)c1ccc(\C=N\Nc2ccnc3ccccc23)cc1"	0	""	""	1	1	"9555375"	"91919550"
"313981"	313981	"gold, chloro(triethylphosphine)-"	"CCP(CC)(CC)[Au]Cl"	0	""	""	2	2	"6333884"	"15529905"
"313985"	313985	"gold(1+), bis(trimethylphosphine)-, chloride"	"CP(C)(C)[Au]P(C)(C)C"	0	NA	NA	2	2	"573851"	"38614538"
"313990"	313990	"gold (1+), [.mu.-(1-thio-.beta.-d-glucopyranose-2,3,4,6-..."	"CCP(CC)(CC)[Au][S+]([Au]P(CC)(CC)CC)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	"573852"	"74765789"
"314018"	314018	"Ansamitocin deriv"	"COC1\C=C\C=C(/C)\Cc2cc(O)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4"	0	NA	NA	2	2	"573858"	"72902386"
"314035"	314035	"Buddledin C"	"C\C\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O"	0	NA	NA	2	2	"455783"	"62346229"
"314055"	314055	"1h-imidazole-1-acetamide, n,n-bis(2-hydroxyethyl)-2-nitro-"	"OCCN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]"	0	""	""	8	2	"92390"	"74141745"
"314622"	314622	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	"TOP1"	""	5	5	"329826"	"66358494"
"315260"	315260	"n-deacetyl-n-formyl-n-methylcolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C=O"	0	""	""	4	2	"26819"	"14686614"
"315626"	315626	"Butyric acid, rhodium salt (4:2)"	"CCCC1=[O][Rh]234OC(=[O][Rh]2(OC(=[O]3)CCC)(O1)[O]=C(CCC)O4)CCC"	0	""	""	2	2	"432833"	"56281346"
"315844"	315844	"2(1h)-pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fl..."	"COC1=NC(=O)N(C=C1F)C2OC(=O)C=C2"	0	NA	NA	1	1	"456189"	NA
"316158"	316158	"1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione"	"OCCNCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	1	1	"432861"	NA
"316458"	316458	"neplanocin a"	"Nc1ncnc2c1ncn2C3C=C(CO)C(O)C3O"	0	NA	NA	2	2	"456272"	"72877500"
"317003"	317003	"9h-thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1ccc(C)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	3	3	"13504751"	"80568292"
"317605"	317605	"1h-indolo[3,2-c]quinoline-9-methanamine, 3-chloro-n,n-di..."	"CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC"	0	""	""	2	1	"330267"	"34374226"
"317615"	317615	"Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate"	"CCOC(=O)c1ccccc1SC(C[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	"330275"	NA
"317908"	317908	"(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide"	"CCCNC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	2	2	"5371176"	"75013659"
"317909"	317909	"(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide"	"C\C(=N/NC(=S)NCC#C)\c1ccccn1"	0	""	""	2	2	"12563275"	"71555594"
"317917"	317917	"1-propanone, 3-(dimethylamino)-2-[(dimethylamino)methyl]..."	"COc1ccc(cc1)C(=O)C(CN(C)C)CN(C)C"	0	NA	NA	1	1	"574076"	"90548622"
"317921"	317921	"9h-thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7..."	"CCN(CC)CCNc1ccc(C)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	2	2	"13504750"	"80568656"
"318460"	318460	"acetonitrile, 1,3-dithietan-2-ylidenenitro-"	"[O-][N+](=O)C(=C1SCS1)C#N"	0	""	""	1	1	"330355"	"38042136"
"318506"	318506	"lachnella fungus"	"CC1(C)C[C@H]2C=C(C=O)[C@]34C[C@@]3([C@H]2C1)C(=O)OC4O"	0	NA	NA	1	1	"456553"	"2212999"
"318509"	318509	"2(1h)-pyrimidinone, 5-fluoro-1-.beta.-d-ribofuranosyl-"	"OCC1OC(C(O)C1O)N2C=C(F)C=NC2=O"	0	""	""	3	1	"330359"	"64967164"
"318538"	318538	"2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	"CSC1(SC2=NCCN2)SC3(NCCN3)S1"	0	""	""	2	2	"330385"	"69754536"
"318800"	318800	"uridine, 5-fluoro-, 2',3',5'-triacetate"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2C=C(F)C(=O)NC2=O"	0	""	""	5	2	"330408"	"55474118"
"318805"	318805	"BRD-K96548276-001-01-3"	"C\C(=N/NC(=S)N1CCCC1)\c2ccccn2"	0	""	""	2	2	"5484394"	"71555265"
"318807"	318807	"1h-azepine-1-carbothioic acid, hexahydro-, [1-(2- pyridi..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2ccccn2"	0	""	""	4	2	"5494319"	"71555414"
"319023"	319023	"1-(4-Chloro-7-methoxy-2-quinolyl)-3-(2,6-xylyl)urea"	"COc1ccc2c(Cl)cc(NC(=O)Nc3c(C)cccc3C)nc2c1"	0	""	""	1	1	"330430"	NA
"319073"	319073	"OEG3LD2WZG"	"Cc1c2ccnc(C#N)c2c(C)c3c4ccccc4n(Cc5ccccc5)c13"	0	""	""	1	1	"330469"	"85619110"
"319078"	319078	"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	"CCOc1cc2c(NCCCN(CCO)CCO)ncnc2c(OCC)c1OCC"	0	""	""	3	1	"330472"	"33386399"
"319079"	319079	"4-Chloro-6,7,8-triethoxyquinazoline"	"CCOc1cc2c(Cl)ncnc2c(OCC)c1OCC"	0	""	""	2	1	"330473"	NA
"319095"	319095	""	"OC(=O)C1CSC2(CCCN(Cc3ccccc3)C2)N1"	0	NA	NA	2	1	"574114"	"66802617"
"319434"	319434	"Maybridge4_000689"	"COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1"	0	""	""	2	1	"330499"	NA
"319440"	319440	"Maybridge3_000858"	"Cc1ccc2c(NC(c3ccc(cc3)C(=O)O)c4cccn24)c1"	0	""	""	1	1	"330505"	NA
"319447"	319447	"2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one"	"COc1cc2Oc3ccccc3C(=O)c2cc1CSc4ccccc4N"	0	""	""	2	2	"330512"	NA
"319467"	319467	"Maybridge3_004599"	"CN(C)C(=O)Oc1cc2OC(=O)C=C(C)c2cc1Cl"	0	""	""	1	1	"330531"	NA
"319662"	319662	"3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole"	"Cc1[nH]nc(c2ccon2)c1N=O"	0	""	""	1	1	"330583"	NA
"319725"	319725	"thiosemicarbazone r"	"CN(C)C(=S)N\N=C(/C)\c1ccccn1"	0	""	""	3	2	"5843399"	"71555141"
"319726"	319726	"azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] h..."	"C\C(=N/NC(=S)N1CCC1)\c2ccccn2"	0	NA	NA	4	2	"456841"	"71555254"
"319730"	319730	"oridonin (thiol adduct of)"	"CCCCCCCSCC1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2O)C1=O"	0	NA	NA	1	1	"574139"	NA
"319947"	319947	"2,4-pyrimidinediamine, 5-(3-azido-4-chlorophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=[N+]=[N-]"	0	""	""	5	5	"343098"	NA
"319995"	319995	"1-(4-Chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea"	"COc1ccc2c(Cl)cc(NC(=S)Nc3ccccc3)nc2c1"	0	""	""	1	1	"3246633"	NA
"320209"	320209	"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione"	"CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c3cccc(O)c3O)C(=O)C1"	0	""	""	1	1	"330812"	NA
"320218"	320218	"1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea"	"CCn1c2ccccc2c3cc(NC(=O)Nc4ccc(cc4C)[N+](=O)[O-])ccc13"	0	""	""	1	1	"330820"	NA
"320301"	320301	"Colchicine Derivative"	"COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	"TUBB"	""	6	5	"-1"	"76129163"
"320308"	320308	"FCH1273090"	"NC1(CCCCC1)P(=O)(O)O"	0	""	""	1	1	"330854"	"67398112"
"320613"	320613	"3VL8VB55X4"	"Cc1c2c(nccc2c(C)c3c1c4ccccc4n3Cc5ccccc5)C(=O)N"	0	""	""	1	1	"330922"	"85619290"
"320846"	320846	"Batracylin"	"Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34"	0	"TOP2|TOP1"	"Clinical trial"	9	5	"-1"	"67199660"
"320877"	320877	"geldanamycin deriv"	"COC1CC(C)CC2=C(NCCCl)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C/C(C)C1O)\C)\C)C2=O"	0	NA	NA	5	3	"574214"	"71952926"
"320884"	320884	"hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl..."	"CNC(=N)N\N=C(/c1ccccc1)\c2ccc(Br)cc2"	0	""	""	2	1	"54611030"	"81728010"
"320931"	320931	"n-Decylaminoethanethiosulfuric acid"	"CCCCCCCCCCNCCSS(=O)(=O)O"	0	""	""	1	1	"77356"	"3752510"
"320951"	320951	"Bishelenalinyl malonate"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H]5C=CC(=O)[C@@]35C)OC(=O)C4=C)[C@@]6(C)[C@H]1C=CC6=O"	0	""	""	3	2	"330973"	"68322918"
"321206"	321206	""	"CSC1=S[Cu]2(Br)N3CCCCC3C(=[N+]2N1)c4ccccn4"	0	NA	NA	2	2	"574242"	NA
"321237"	321237	"mercury, (4-aminophenyl)(6-thioguanosinato-n7,s6)-"	"[Hg].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1.Nc4ccccc4"	0	""	""	2	2	"135403617"	NA
"321239"	321239	"mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-n(7..."	"[Hg].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1.Oc4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"135403618"	NA
"321240"	321240	""	"[Hg].Oc1ccc(cc1)[N+](=O)[O-].S=C2N=CNc3[nH]cnc23"	0	NA	NA	1	1	"574253"	NA
"321477"	321477	"Zexbrevin"	"CC1CC2OC(=O)C(=C)C2C(CC3(C)OC1=CC3=O)OC(=O)C(=C)C"	0	""	""	2	2	"331148"	"28644862"
"321491"	321491	"4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline"	"Clc1cc(CSc2nc3ccccc3n4cccc24)c5OCOCc5c1"	0	""	""	1	1	"331156"	NA
"321521"	321521	"auranofin"	"CCP(CC)(CC)[Au]SC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	"FDA approved"	2	1	"6333901"	"34031328"
"321522"	321522	"gold(1+), bis(triethylphosphine)-, chloride"	"CCP(CC)(CC)[Au]P(CC)(CC)CC"	0	""	""	2	1	"6333902"	"65583791"
"321785"	321785	"N-(4-cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea"	"Cc1noc(NC(=O)Nc2ccccc2F)c1C#N"	0	""	""	2	2	"331212"	NA
"322068"	322068	""	"CCN(CC)CCC(=O)c1ccccc1"	0	NA	NA	1	1	"574294"	NA
"322072"	322072	"(E)-4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide"	"CCCCCC(C[N+]1(C)CCOCC1)C(=O)\C=C\c2ccccc2"	0	""	""	2	2	"54610962"	NA
"322354"	322354	""	"O[C@H]1CC2=C([C@@H](O)[C@H]1O)C(=O)c3c(O)ccc(O)c3C2=O"	0	NA	NA	2	2	"457593"	"69286222"
"322355"	322355	"9,10-anthracenedione, 1,2,3,4-tetrahydro- 2,3,5,8-tetrah..."	"CC1(O)CC2=C(CC1O)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	"331314"	"69286175"
"322918"	322918	"Woodhousin"	"CC(C)C(=O)OC1CC2(C)CC(OC(=O)C)C(O)(O2)\C(=C/C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	"574344"	"33143543"
"322920"	322920	"(-)-eburnamonine"	"CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45"	0	""	""	2	2	"71203"	NA
"322921"	322921	"Pibenzimol"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6"	0	NA	NA	16	9	"574346"	"23491454"
"323229"	323229	"Coaracine (racemic)"	"OCC1OC(C(O)C1O)N2CCC(O)CNC2=O"	0	NA	NA	1	1	"457671"	NA
"323241"	323241	"3-azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-py..."	"C\C(=N/NC(=[Se])N1CC2CCC(CC2)C1)\c3ccccn3"	0	NA	NA	4	4	"457681"	"79514435"
"323721"	323721	"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc5cc(NS(=O)(=O)c6ccc(cc6)N=Nc7cc(N=Nc8ccc(cc8)S(=O)(=O)Nc9cc(C)nc(C)n9)c%10c(NC(=O)C(Cl)Cl)cccc%10c7OC(=O)C(Cl)Cl)nc(C)n5"	0	""	""	1	1	"331402"	NA
"323722"	323722	"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc5nnc(NS(=O)(=O)c6ccc(cc6)N=Nc7cc(N=Nc8ccc(cc8)S(=O)(=O)Nc9nnc(C)s9)c%10c(NC(=O)C(Cl)Cl)cccc%10c7OC(=O)C(Cl)Cl)s5"	0	""	""	1	1	"331404"	NA
"323918"	323918	"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile"	"Clc1ccc(cc1Cl)C2C(C#N)C(=O)NC(=O)C2C#N"	0	""	""	1	1	"331439"	NA
"324043"	324043	"Acnistin-E"	"CC12CC(OC(=O)[C@]1(C)O)[C@H](C2)[C@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)[C@H]5CC[C@]34C"	0	NA	NA	1	1	"457801"	"76994393"
"324051"	324051	"Rohituka 7"	"CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(CC(c3cocc3)C12C)OC(=O)C)C4(C)C=CC(=O)OC5(C)COC(=O)CC45"	0	NA	NA	1	1	"574424"	NA
"324065"	324065	"flavofungin"	"CC(C)C1OC(=O)\C=C\C=C\C=C\C=C\C=C\CC(O)C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C"	0	NA	NA	2	1	"457811"	"38328448"
"324368"	324368	"Edelfosine"	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	NA	NA	4	3	"574437"	"65492822"
"324579"	324579	"desmethylbouvardin"	"CC1NC(=O)C2Cc3ccc(O)c(Oc4ccc(cc4)C(O)C(N(C)C(=O)C(C)NC(=O)C(Cc5ccc(O)cc5)N(C)C(=O)C(C)NC1=O)C(=O)N2C)c3"	0	NA	NA	1	1	"574443"	"88360887"
"324646"	324646	"Malformin A"	"CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C2CSSCC(NC1=O)C(=O)N2)C(C)C"	0	"HDAC"	""	1	1	"4005"	NA
"324979"	324979	"copper, chloro[hexahydro-1h-azepine-1-carbothioic acid [..."	"CC1=[N+]2NC(=S[Cu]2(Cl)N3CCCCC13)N4CCCCCC4"	0	""	""	4	3	"9578788"	NA
"325014"	325014	"Bactobolin"	"C[C@H](N)C(=O)N[C@@H]1[C@@H]2[C@@H](O)[C@H](O)CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O"	0	""	""	14	7	"54676871"	"72615204"
"325268"	325268	"N-pyren-1-ylbenzenesulfonamide"	"O=S(=O)(Nc1ccc2ccc3cccc4ccc1c2c34)c5ccccc5"	0	""	""	1	1	"331581"	NA
"325308"	325308	"Sungucin"	"C\C=C/1\CN2CCC34C2CC1C5C=C(C6CC78C9CC(C%10C=CC(=O)N(C7%10)c%11ccccc8%11)\C(=C/C)\CN69)C(=O)N(C35)c%12ccccc4%12"	0	""	""	2	2	"54600645"	NA
"325319"	325319	"didemnin b"	"CC[C@@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)C(C)OC(=O)C(Cc3ccc(OC)cc3)N(C)C(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)C[C@H]1O)C(C)C"	0	NA	NA	31	5	"457933"	"77327050"
"325661"	325661	"sapindus saponin c"	NA	0	NA	NA	1	1	"457971"	NA
"325663"	325663	"saframycin a"	"COC1=C(C)C(=O)C2=C(C(CNC(=O)C(=O)C)N3C(C2)C4N(C)C(CC5=C4C(=O)C(=C(C)C5=O)OC)C3C#N)C1=O"	0	NA	NA	13	8	"457973"	"66082277"
"326061"	326061	"1-piperidinecarbothioic acid, 2-ethyl-, [1-(2-pyridinyl)..."	"CCC1CCCCN1C(=S)N\N=C(/C)\c2ccccn2"	0	""	""	2	2	"9602153"	"71555323"
"326182"	326182	"5-(benzo[d][1,3]dioxol-5-yl)-n-(2,4-dimethylphenyl)-1,3,..."	"Cc1ccc(Nc2oc(nn2)c3ccc4OCOc4c3)c(C)c1"	0	""	""	1	1	"331715"	"67829247"
"326203"	326203	"neolan yellow be"	"[Na+].CC1=NN(C2=O[Cr+3]3([O-])[O-]C(=O)c4ccc(cc4[N+]3=N[C-]12)S(=O)(=O)[O-])c5ccc(cc5C)S(=O)(=O)[O-]"	0	NA	NA	1	1	"574543"	"10127056"
"326231"	326231	"Buthionine sulphoximine"	"CCCCS(=N)(=O)CC[C@H](N)C(=O)O"	0	"AM"	"Clinical trial"	19	6	"-1"	"83730534"
"326233"	326233	"epiepoxydon"	"OCC1=C[C@H](O)[C@H]2O[C@H]2C1=O"	0	NA	NA	6	2	"458078"	"67772763"
"326374"	326374	"3-(3-(2-(1H-pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	"OC(=O)CCc1onc(n1)c2ccccc2n3cccc3"	0	""	""	1	1	"331761"	NA
"326408"	326408	"Rocaglamide"	"COc1ccc(cc1)[C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c5ccccc5)C(=O)N(C)C"	0	NA	NA	4	2	"458129"	"84573160"
"326420"	326420	"benzoic acid, 3,4,5-trimethoxy-, [(3-nitrophenyl)methyle..."	"COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	"6861410"	NA
"326757"	326757	"1,4-phenylenebis((4-hydroxyphenyl)methanone)"	"Oc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)c3ccc(O)cc3"	0	""	""	1	1	"331833"	"15517461"
"327182"	327182	"l-glutamic acid, n-[4-[[(2-amino-1,4-dihydro-4-oxo-6-qui..."	"Nc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1"	0	""	""	1	1	"135402053"	"76849199"
"327697"	327697	"(3Z)-5,7-dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one"	"CN(C)c1ccc(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)cc1"	0	""	""	1	1	"135452573"	NA
"327702"	327702	"3-(benzylthio)phenanthro[9,10-e][1,2,4]triazine"	"C(Sc1nnc2c3ccccc3c4ccccc4c2n1)c5ccccc5"	0	""	""	2	2	"332058"	"59851319"
"327705"	327705	"2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin  3-ylthio)n..."	"ClC1=C(Sc2nnc3c4ccccc4c5ccccc5c3n2)C(=O)c6ccccc6C1=O"	0	""	""	2	2	"332061"	NA
"327727"	327727	""	"CC(CN(C)C)C(=O)c1ccccc1"	0	NA	NA	2	2	"574619"	NA
"327929"	327929	"hydrazinecarboimidamide, 2,2'-(2,8-dibenzofurandiyldieth..."	"CNC(=N)N\N=C(/C)\c1ccc2oc3ccc(cc3c2c1)\C(=N\NC(=N)NC)\C"	0	""	""	2	2	"54601621"	NA
"327993"	327993	"roridin a, 8-hydroxy-9b,10b-epoxy-"	"CC(O)C1OCCC(C)C(O)C(=O)OCC23CC(O)C4(C)OC4C2OC5CC(OC(=O)\C=C\C=C\1)C3(C)C56CO6"	0	NA	NA	2	2	"574646"	"87532318"
"328005"	328005	"1,2-cyclohexanediamine, platinum complex (9ci)"	"OP(=O)(O)CC(=O)NC1CC(=O)O[Pt]2(NC3CCCCC3N2)OC1=O"	0	NA	NA	1	1	"574648"	"80205249"
"328084"	328084	"1-(2-bicyclo[2.2.1]heptanyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea"	"COc1cccc(\C=N\NC(=S)NC2CC3CCC2C3)c1O"	0	""	""	1	1	"135452578"	NA
"328130"	328130	"64C9BV8LPJ"	"SC1=NC2(CCCCCC2)NN1c3ccccc3"	0	""	""	2	2	"683248"	"39263826"
"328166"	328166	"8b-hydroxy-9b,10b-epoxyverrucarin a"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C5OC5(C)C(O)CC4(COC(=O)C1O)C2(C)C36CO6"	0	NA	NA	8	6	"574668"	"87532307"
"328186"	328186	"3',4',5'-trimethoxy-3-hydroxy flavone"	"COc1cc(cc(OC)c1OC)C2=C(O)C(=O)c3ccccc3O2"	0	""	""	2	2	"332208"	NA
"328403"	328403	"acetamide, n-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- tetr..."	"COC1=CC=C2C(=CC1=O)[C@H](CCc3c(C=O)c(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	5	5	"458640"	"2730827"
"328410"	328410	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC)c(OC)cc5nc34)C2=O"	0	"TOP1"	""	1	1	"190756"	NA
"328415"	328415	"ambruticin"	"CCC1OC(CC=C1C)\C(=C\C(C)\C=C\C2C(C)C2\C=C\C3OC(CC(=O)O)CC(O)C3O)\C"	0	""	""	1	1	"5477541"	"58857026"
"328416"	328416	"Withaferin-A diacetate"	"CC(C1CC(=C(COC(=O)C)C(=O)O1)C)C2CCC3C4CC5OC56C(OC(=O)C)C=CC(=O)C6(C)C4CCC23C"	0	NA	NA	2	2	"574691"	"22848799"
"328426"	328426	"phyllanthoside"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(OC(=O)C)C7O"	0	NA	NA	8	8	"458651"	"63166734"
"328477"	328477	"3'-chloro-3-nitro-o-salicylotoluidide"	"Cc1c(Cl)cccc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	2	2	"332278"	"73544884"
"328567"	328567	"benzoic acid, 2-hydroxy-, (2,6-pyridinediyldiethylidyne)..."	"C\C(=N/NC(=O)c1ccccc1O)\c2cccc(n2)\C(=N\NC(=O)c3ccccc3O)\C"	0	NA	NA	2	2	"574711"	NA
"328781"	328781	"iodeosin"	"Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I"	0	""	""	1	1	"3259"	"15905325"
"328784"	328784	"1-piperazinecarboselenoic acid, 4-(2-pyridinyl)-, [1-(2-..."	"C\C(=N/NC(=[Se])N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	NA	NA	3	2	"458736"	"79514413"
"328785"	328785	"Antineoplastic-328785"	"CN(C)C(=[Se])N\N=C(/C)\c1ccccn1"	0	""	""	4	2	"54607693"	"79514491"
"328786"	328786	"Dinaline"	"Nc1ccc(cc1)C(=O)Nc2ccccc2N"	0	""	""	2	2	"42725"	"58338593"
"329055"	329055	"N'-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide"	"CCOc1cccc(\C=N\NC(=O)C(=O)Nc2cccc(c2)C(F)(F)F)c1O"	0	""	""	1	1	"135452594"	NA
"329060"	329060	"N-(4-fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide"	"Oc1ccccc1\C=N\NC(=O)C(=O)Nc2ccc(F)cc2"	0	""	""	1	1	"135452595"	NA
"329063"	329063	"2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide"	"Oc1ccccc1\C=N\NC(=O)CSC2CCc3ccccc23"	0	""	""	1	1	"135452596"	NA
"329086"	329086	"mitomycin c,methylamine fr. streptomyces caespitosus"	"CNC1=C(C)C(=O)C2=C(C(COC(=O)N)C3(OC)C4NC4CN23)C1=O"	0	NA	NA	1	1	"458802"	"27066440"
"329124"	329124	"R6597"	"[O-][N+](=O)c1oc2ccc3ccccc3c2c1"	0	""	""	2	1	"50354"	"69267512"
"329125"	329125	"2-Nitrofuro[3,2-e][1]benzofuran"	"[O-][N+](=O)c1oc2ccc3occc3c2c1"	0	""	""	1	1	"332389"	"69267545"
"329127"	329127	"2,4-Dinitro-1-benzofuran"	"[O-][N+](=O)c1oc2cccc(c2c1)[N+](=O)[O-]"	0	""	""	1	1	"332391"	"69227685"
"329223"	329223	"r 7000"	"COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1"	0	""	""	2	1	"53424"	"75965741"
"329225"	329225	"naphtho[2,1-b]furan, 8-methoxy-2-nitro-"	"COc1ccc2ccc3oc(cc3c2c1)[N+](=O)[O-]"	0	""	""	1	1	"53425"	"75965752"
"329226"	329226	"4-Methoxy-2-nitronaphtho[2,1-b]furan"	"COc1cc2ccccc2c3cc(oc13)[N+](=O)[O-]"	0	""	""	3	2	"100603"	"75965729"
"329250"	329250	"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)Nc2nc3ccccc3s2)c(Cl)c1"	0	""	""	2	1	"332430"	NA
"329252"	329252	"N-(9H-carbazol-3-yl)-2-chlorobenzamide"	"Clc1ccccc1C(=O)Nc2ccc3[nH]c4ccccc4c3c2"	0	""	""	1	1	"332432"	NA
"329261"	329261	"STK828375"	"O=C1N(Cc2occc2)C(=S)S/C/1=C\c3cccnc3"	0	""	""	2	2	"1372564"	NA
"329273"	329273	"N-(fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide"	"COc1cc(cc(OC)c1OC)C(=O)NN=C2c3ccccc3c4ccccc24"	0	""	""	1	1	"332453"	NA
"329277"	329277	""	"CCOc1cccc(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)c1O"	0	NA	NA	1	1	"458905"	NA
"329278"	329278	"(3Z)-5,7-dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one"	"COc1ccc(OC)c(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)c1"	0	""	""	1	1	"135452600"	NA
"329287"	329287	"N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	1	1	"332467"	NA
"329488"	329488	"Sellowin A"	"CC(CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@@]5(C)[C@@H]3[C@H](OC5=O)[C@H]6O[C@@]126"	0	""	""	2	1	"73589"	"34198793"
"329507"	329507	"deoxyphorbol, 20-o-acetyl-13-o-isobutyryl-12-o-(z,e)-2,4-"	"CCC\C=C\C=C\C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(=CC2C4C(C)(C)C14OC(=O)C(C)C)COC(=O)C"	0	""	""	2	2	"5477555"	"71906600"
"329515"	329515	"Kijanimicin sodium salt"	"COC1C(O)CC(OC2C(C)OC(CC2OC3CC(O)C(O)C(C)O3)OC4CC(OC5C(C)CC(C)C6C5C=CC7\C(=C/CC(OC8CC(C)(C(NC(=O)OC)C(C)O8)[N+](=O)[O-])\C(=C/C9C=C(CO)C(C)CC9%10OC(=O)C(=C%10O)C(=O)C67C)\C)\C)OC(C)C4O)OC1C"	0	NA	NA	1	1	"574789"	"78798080"
"329680"	329680	"Hepsulfam"	"NS(=O)(=O)OCCCCCCCOS(=O)(=O)N"	0	"A7"	""	14	8	"100606"	"96892578"
"329690"	329690	"Acetyltifruticin"	"C\C=C(/C)\C(=O)OC1CC(C)(O)C2OC2C(OC(=O)C)\C(=C\C3OC(=O)C(=C)C13)\C"	0	NA	NA	1	1	"574797"	"56377594"
"329691"	329691	"hm-4"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(CC2O)\C(=C/C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	"574798"	"78657586"
"329692"	329692	"Deoxytifructin"	"C\C=C(/C)\C(=O)OC1CC(C)(O)\C=C/C(O)\C(=C\C2OC(=O)C(=C)C12)\C"	0	NA	NA	2	1	"574799"	"56377630"
"329695"	329695	"hm-9"	"C\C=C(/C)\C(=O)OC1CC(C)(O)C(O)CC(O)\C(=C\C2OC(=O)C(=C)C12)\C"	0	NA	NA	2	1	"574802"	NA
"329696"	329696	"hm-9-ao"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(C)(C)OC2CC(=O)\C(=C\C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	"574803"	NA
"330271"	330271	"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione"	"S=C1N=C(O\C(=N\C2CCCCC2)\N1C3CCCCC3)c4ccccc4"	0	""	""	1	1	"332594"	"69875441"
"330463"	330463	""	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)[N+]#N"	0	NA	NA	1	1	"574814"	NA
"330465"	330465	"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=NN(C)C"	0	""	""	3	3	"332598"	NA
"330499"	330499	"macbecin i"	"COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)\C(=C\C=C/C(C)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)C2=O"	0	NA	NA	3	2	"574815"	"73341727"
"330500"	330500	"Macbecin II"	"COC1CC(C)C(OC)c2cc(O)cc(NC(=O)\C(=C\C=C/C(C)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)c2O"	0	"HSP90"	""	10	9	"-1"	"73341738"
"330507"	330507	"Tanespimycin"	"CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	7	5	"-1"	"75747147"
"330512"	330512	"geldanamycin, n,n'-dimethyl"	"CNC(=O)OC1C(OC)\C=C/C=C(\C)/C(=O)N(C)C2=CC(=O)C(=C(CC(C)CC(OC)C(O)C(C)\C=C/1\C)C2=O)OC"	0	NA	NA	5	4	"574818"	"75747329"
"330516"	330516	"schisanterin a"	"COc1cc2C(OC(=O)c3ccccc3)C(C)(O)C(C)Cc4cc5OCOc5c(OC)c4c2c(OC)c1OC"	0	""	""	1	1	"332607"	NA
"330753"	330753	"baccatin iii"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](O)C(=C1C5(C)C)C"	0	NA	NA	1	1	"459096"	"27548932"
"330770"	330770	"carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccccc3"	0	""	""	3	3	"54888"	"82585919"
"330927"	330927	"ethericin a"	"Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1"	0	""	""	1	1	"100615"	"68027816"
"331120"	331120	"trichothec-9-ene-4,15-diol, 12,13-epoxy-, cyclic ester"	"CC(O)C(OCCC1=CC(=O)OC1)\C=C\C=C\C(=O)OC2CC3OC4C=C(C)CCC4(CO)C2(C)C35CO5"	0	NA	NA	1	1	"574846"	NA
"331121"	331121	"niveusin a"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(O)(CC2O)\C(=C/C3OC(=O)C(=C)C13)\CO"	0	NA	NA	2	2	"574847"	"75680261"
"331122"	331122	"Zonarol"	"CC1(C)CCC[C@@]2(C)[C@H](Cc3cc(O)ccc3O)C(=C)CC[C@H]12"	0	""	""	2	2	"332671"	NA
"331269"	331269	"oxirane, 2,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-"	"C(Oc1cc2ccccc2cc1OCC3CO3)C4CO4"	0	""	""	1	1	"332711"	"34898970"
"331757"	331757	"2-anthracenecarboxamide, n-[4-(diethylamino)-1-methylbut..."	"CCN(CC)CCCC(C)NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	4	2	"149896"	"81086046"
"331798"	331798	"2,1,3-benzothiadiazole, 7-bromo-5-methyl-4-nitro-"	"Cc1cc(Br)c2nsnc2c1[N+](=O)[O-]"	0	""	""	2	2	"332746"	"70733298"
"331935"	331935	"chalcone analog"	"COc1ccc(C(=O)\C=C\c2ccc3OCOc3c2)c(OCc4ccccc4)c1"	0	NA	NA	2	2	"459274"	NA
"331942"	331942	"terconazole"	"CC(C)N1CCN(CC1)c2ccc(OCC3COC(Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2"	0	NA	NA	2	1	"574871"	"67915315"
"331973"	331973	"2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol"	"CC(N1CCOCC1)C(O)(c2ccccc2)c3ccccn3"	0	""	""	1	1	"332785"	NA
"331974"	331974	"(E)-but-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate"	"COc1cc2c(NCCCCCCO[N+](=O)[O-])ncnc2c(OC)c1OC"	0	""	""	3	2	"6512032"	NA
"332172"	332172	"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile"	"COc1ccc(cc1)\C(=C/c2cc(OC)c(OC)c(OC)c2)\C#N"	0	""	""	1	1	"5831763"	"49581080"
"332186"	332186	"2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile"	"CC1=C(C(=N)C(C#N)C#N)C(=N)Oc2c1ccc3ccccc23"	0	""	""	1	1	"332834"	NA
"332292"	332292	"1-propylagroclavine tartrate"	"CCCn1cc2CC3C(C=C(C)CN3C)c4cccc1c24"	0	NA	NA	6	1	"574908"	"89930609"
"332421"	332421	"1,3-dioxolo[4,5-g]quinolin-8-amine, n-1,3-benzodioxol-5-..."	"Cc1cc(Nc2ccc3OCOc3c2)c4cc5OCOc5cc4n1"	0	""	""	2	2	"332900"	NA
"332424"	332424	""	"C\C(=N/Nc1ccc2ccccc2n1)\c3ccccn3"	0	NA	NA	2	2	"459414"	"70845340"
"332425"	332425	"2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone"	"Cc1cc(N\N=C\c2ccccn2)nc3ccccc13"	0	""	""	2	2	"9569341"	"71508719"
"332427"	332427	"4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"C\C(=N/Nc1cc(C)c2ccccc2n1)\c3ccccn3"	0	""	""	2	2	"9569343"	"70845373"
"332429"	332429	"4,6-dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine"	"Cc1ccc2nc(N\N=C\c3cccc(C)n3)cc(C)c2c1"	0	""	""	1	1	"5771681"	"71508786"
"332430"	332430	"4,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"C\C(=N/Nc1cc(C)c2cc(C)ccc2n1)\c3ccccn3"	0	""	""	2	2	"9569345"	NA
"332436"	332436	"6-methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"COc1ccc2nc(N\N=C(/C)\c3ccccn3)cc(C)c2c1"	0	""	""	2	2	"9569350"	NA
"332471"	332471	"Ethyl 4-(5,7-dimethyl-4-oxochromen-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(C)NC(=O)NC1C2=COc3cc(C)cc(C)c3C2=O"	0	""	""	2	2	"332937"	NA
"332488"	332488	"Anaxirone"	"O=C1N(CC2CO2)N(CC3CO3)C(=O)N1CC4CO4"	0	""	""	2	2	"71218"	"77658970"
"332595"	332595	"physalin b 5,6-epoxide"	"CC12CC3OC(=O)C1COC45OC6(C2C4=O)C3(C)OC(=O)C6(O)CCC7C5CC8OC89CC=CC(=O)C79C"	0	NA	NA	1	1	"574935"	NA
"332596"	332596	"b680433k349"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(OC(=O)C)C(O)C6OC7OC(C)C(O)C(OC(=O)C)C7O"	0	NA	NA	2	2	"574936"	"82209936"
"332598"	332598	"Rhizoxin"	"CO[C@@H]([C@H](C)[C@H]1C[C@@H](O)[C@]2(C)O[C@H]2\C=C\[C@H](C)[C@@H]3C[C@H](C[C@H]4O[C@@H]4C(=O)O1)CC(=O)O3)\C(=C\C=C\C(=C\c5coc(C)n5)\C)\C"	0	"TUBB"	""	27	13	"-1"	"90996546"
"332670"	332670	"phenol, 2-(1h-phenanthro[9,10-d]imidazol-2-yl)-"	"Oc1ccccc1c2nc3c4ccccc4c5ccccc5c3[nH]2"	0	""	""	1	1	"332972"	"24293672"
"332837"	332837	"carbamothioic acid, dimethyl-, s-[2-(2,6-dichlorophenyl)..."	"CN(C)C(=O)SC1=C(C(=O)c2ccccc12)c3c(Cl)cccc3Cl"	0	""	""	2	2	"333069"	NA
"332890"	332890	"carbamic acid, [5-amino-1,2-dihydro-3-(4-methoxyphenyl)p..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc(OC)cc3"	0	NA	NA	3	2	"574965"	NA
"332996"	332996	"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3ccc4ccccc4n3"	0	""	""	2	2	"6512080"	"35896243"
"333003"	333003	""	"N(\N=C(/c1ccccc1)\c2ccccn2)c3nc4ccccc4s3"	0	NA	NA	2	2	"459615"	NA
"333054"	333054	"Pirarubicin Hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	"6711233"	NA
"333205"	333205	"3,4-dithenoyl-1,2,5-oxadiazole-n2-oxide"	"[O-][n+]1onc(C(=O)c2cccs2)c1C(=O)c3cccs3"	0	""	""	2	2	"333142"	"7733962"
"333329"	333329	"(R)-Methyl 2-amino-3-(tritylthio)propanoate hydrochloride"	"COC(=O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"24199543"	"62675687"
"333571"	333571	"benzoic acid, 3,4,5-trihydroxy-, phenyl ester"	"Oc1cc(cc(O)c1O)C(=O)Oc2ccccc2"	0	""	""	1	1	"333279"	"70022138"
"333598"	333598	"tin, (2,2'-bipyridine-n,n')butyldichlorophenyl-"	"CCCC[Sn]1(Cl)(Cl)(N2CCCCC2C3CCCCN13)c4ccccc4"	0	""	""	1	1	"494241"	NA
"333843"	333843	"helenin"	"C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12.C[C@]45CCCC(=C)[C@@H]4C[C@H]6[C@@H](C5)OC(=O)C6=C"	0	NA	NA	2	2	"459883"	NA
"333856"	333856	"Tetrocarcin A, sodium salt"	"COC(=O)NC1C(C)OC(CC1(C)[N+](=O)[O-])OC2C\C=C(\C)/C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(=O)C)C(C)O5)C(C)CC(C)C4C3(C)\C(=C/9\C(=O)OC%10(CC(=CC(O)C%10\C=C/2\C)C=O)C9=O)\O"	0	NA	NA	12	4	"575022"	NA
"334043"	334043	"thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-"	"CC1=CN(C2CC(O)C(CNC(=O)CBr)O2)C(=O)NC1=O"	0	""	""	1	1	"100092"	"50700635"
"334072"	334072	"bisbenzimide"	"CCOc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6"	0	NA	NA	2	2	"575031"	"23491523"
"334352"	334352	"9h-thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1ccc(CO)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	3	3	"333459"	"86455916"
"334717"	334717	"2-propyn-1-one, 1-(2h-1-benzopyran-3-yl)-3-phenyl-"	"O=C(C#Cc1ccccc1)C2=Cc3ccccc3OC2"	0	""	""	2	2	"333501"	"86535720"
"335142"	335142	"6h-pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-,..."	"Cc1c2ccnc(C(=O)N)c2c(C)c3c4ccccc4[nH]c13"	0	""	""	6	2	"5351320"	"85619289"
"335663"	335663	"Acetylrolandrolide"	"CC(=O)OCC1=C2[C@@H](C\C(=C/[C@@H](C[C@](C)(O)\C=C/2\OC1=O)OC(=O)C)\C)OC(=O)C(=C)C"	0	""	""	2	2	"5384465"	NA
"335753"	335753	"Heliangolide"	"C\C=C(\C)/C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C13)\C"	0	""	""	2	2	"5384466"	NA
"335766"	335766	"quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-"	"CCc1ncnc2cc(OCC3CO3)c(OC)cc12"	0	""	""	2	2	"333565"	"83674935"
"335787"	335787	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-me..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3cccc(C)n3"	0	""	""	2	2	"9554702"	"86919597"
"335789"	335789	"3-azabicyclo[3.2.1]nonane-3-carbothioic acid, [1-(6-meth..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccc(C)n3"	0	NA	NA	3	3	"460186"	"86919586"
"335791"	335791	"3-azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyri..."	"CCC\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccccn3"	0	""	""	3	3	"5921457"	"86919633"
"335794"	335794	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"CCC\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	""	""	3	2	"5930549"	"86919644"
"335989"	335989	"colchine, 2-demethyl, n-trifluoro acetyl"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(O)c(OC)c23)NC(=O)C(F)(F)F"	0	""	""	2	2	"73627"	"86436466"
"335995"	335995	"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate"	"CC(=O)Oc1cc2C(=O)Oc3c(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c4C(=O)Oc(c1OC(=O)C)c2c34"	0	""	""	1	1	"333594"	NA
"336003"	336003	"2-Methylolivacinium acetate"	"Cc1c2cc[n+](C)c(C)c2cc3c4ccccc4[nH]c13"	0	""	""	12	11	"5458752"	"81531659"
"336032"	336032	"4h-[1]benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-..."	"Cc1ccccc1C2NC(=O)C3=Cc4ccccc4OC3=N2"	0	""	""	2	2	"333612"	"75586355"
"336043"	336043	"WGD1TVN7IQ"	"CCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"333618"	"81721768"
"336053"	336053	"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-"	"Nc1ccc2ccc(NS(=O)(=O)N3CCCCC3)cc2c1"	0	""	""	2	2	"333624"	NA
"336278"	336278	"ciclopirox olamine (usan)"	"CC1=CC(=O)N(O)C(=C1)C2CCCCC2"	0	NA	NA	1	1	"460263"	"41621492"
"336628"	336628	"merbarone"	"OC1=C(C(=O)Nc2ccccc2)C(=O)NC(=S)N1"	0	NA	NA	14	2	"460289"	"97534219"
"337581"	337581	"royleanone-7a-formyloxy-6b-hydroxy-eru 701"	"CC(C)C1=C(O)C(=O)C2=C(C(OC=O)C(O)C3C(C)(C)CCCC23C)C1=O"	0	""	""	1	1	"462176"	"65714774"
"337588"	337588	"anthelmycin"	"NC1C(O)C(CO)OC(OC(C(O)C(O)C(O)C(O)CO)C2OC(C(O)C(O)C2N)N3C=CC(=NC3=O)N)C1O"	0	NA	NA	1	1	"460359"	"12706944"
"337591"	337591	"et 12h"	"CCCCCCCCCCCCOCCCOP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	4	"209827"	"20545964"
"337766"	337766	"Bisantrene hydrochloride"	"C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC4=NCCN4)c5ccccc25)N1"	0	"TOP2"	""	24	15	"-1"	"71439684"
"337817"	337817	""	"NC(=O)N\N=C/1\CCC(O)CC1CC(=O)O"	0	NA	NA	1	1	"460444"	NA
"337827"	337827	"3-[(E)-2-phenylethenyl]benzoic acid"	"OC(=O)c1cccc(\C=C\c2ccccc2)c1"	0	""	""	1	1	"5964452"	"60901226"
"337851"	337851	"Predorine"	"CN(C)c1ccc2c(SCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5C(=O)C[C@]34C)c7ccc(cc7nc2c1)N(C)C"	0	""	""	2	2	"333830"	"83759460"
"337857"	337857	""	"CCCCCCC1=C2C3C4CCC(C4)C3[Pd]125Cl[Pd]67(Cl5)C8C9CCC(C9)C8C6=C7CCCCCC"	0	NA	NA	1	1	"575200"	NA
"337974"	337974	"acridine, 9-phenoxy-"	"O(c1ccccc1)c2c3ccccc3nc4ccccc24"	0	""	""	1	1	"100640"	"2148143"
"338005"	338005	"1-methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene"	"COc1ccccc1\C=C\C2=C(C)CCC(C2C)c3ccccc3OC"	0	""	""	2	2	"6299360"	NA
"338048"	338048	"2-(2,4-Dinitrophenyl)isoquinolinium chloride"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccc3ccccc3c2"	0	NA	NA	2	1	"575217"	"33107141"
"338258"	338258	"ellipticine, 9-(dimethylaminoethoxy)-, dihydrochloride"	"CN(C)CCOc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"	0	""	""	6	5	"54601911"	NA
"338259"	338259	"lycobetaine"	"Oc1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23"	0	NA	NA	2	2	"575254"	"2121166"
"338268"	338268	"Cristatic acid"	"CC(=Cc1occ(CCC\C(=C\Cc2c(O)cc(C)c(C(=O)O)c2O)\C)c1)C"	0	""	""	1	1	"5458761"	"80557137"
"338269"	338269	"Permethyl deriv. of cristatic acid"	"COC(=O)c1c(C)cc(OC)c(C\C=C(/C)\CCCc2coc(C=C(C)C)c2)c1OC"	0	""	""	1	1	"5458762"	"80557115"
"338304"	338304	"iron, dichloro[hexahydro-1h-azepine-1-carbothioic acid [..."	"CC1=[N+]2NC(=S[Fe]2(Cl)(Cl)N3CCCCC13)N4CCCCCC4"	0	""	""	2	2	"9578789"	"82641256"
"338423"	338423	"2-[(2-Bromo-4-methylphenoxy)methyl]oxirane"	"Cc1ccc(OCC2CO2)c(Br)c1"	0	""	""	1	1	"334089"	"68224000"
"338519"	338519	"(Z)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile"	"CN(CCC#N)c1ccc(\C=C(/C#N)\c2cccc(c2)C(F)(F)F)cc1"	0	""	""	1	1	"5919582"	NA
"338537"	338537	"benzoic acid, 2-amino-, [1-(2-hydroxyphenyl)ethylidene]h..."	"C\C(=N/NC(=O)c1ccccc1N)\c2ccccc2O"	0	""	""	1	1	"135493674"	NA
"338643"	338643	"6-phenyl-6h-indeno[1,2-c]isoquinoline-5,11-dione"	"O=C1N(C2=C(C(=O)c3ccccc23)c4ccccc14)c5ccccc5"	0	""	""	2	2	"334247"	"81721826"
"338644"	338644	"IRQ11YJ3RC"	"CCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"334248"	"81721735"
"338698"	338698	"6,9-ethanobenz[g]isoquinoline-5,10-dione, 6,9-dihydro-"	"O=C1C2=C(C3CCC2C=C3)C(=O)c4cnccc14"	0	""	""	2	2	"334273"	"96937790"
"338947"	338947	"Clomesone"	"CS(=O)(=O)CS(=O)(=O)OCCCl"	0	"A7"	""	8	3	"-1"	"88343720"
"338968"	338968	"Coumarin 337"	"O=C1Oc2c3CCCN4CCCc(cc2C=C1C#N)c34"	0	""	""	2	1	"72654"	"55804687"
"338969"	338969	"coumarin 355"	"CCN1CCCc2cc3C(=CC(=O)Oc3cc12)C(F)(F)F"	0	""	""	1	1	"72818"	"68975495"
"339004"	339004	"chloroquinoxaline sulfonamide"	"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3c(Cl)cccc3n2"	0	""	""	12	4	"72462"	"97919227"
"339124"	339124	"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate"	"O=C1CC(=O)N(C(=O)N1C2CCCCC2)c3ccccc3S(=O)(=O)Oc4ccccc4"	0	""	""	1	1	"334318"	NA
"339127"	339127	"((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid"	"Nc1nc(SCC(=O)O)nc(O)c1N"	0	""	""	1	1	"135403619"	NA
"339137"	339137	"Physalolactone"	"CC1=C(C)C(=O)OC(C1)C(C)(O)C2(O)CCC3(O)C4CC(Cl)C5(O)C(O)C=CC(=O)C5(C)C4CCC23C"	0	NA	NA	1	1	"575332"	"71339258"
"339176"	339176	"9-(2,6-dichlorobenzyl)-9h-purine-2,6-diamine"	"Nc1nc(N)c2ncn(Cc3c(Cl)cccc3Cl)c2n1"	0	""	""	1	1	"334344"	NA
"339281"	339281	"Actinomycin D 3-phenyloxazinone"	"CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3Oc4c(C)c5OC(=O)C(=Nc5c(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)c4Nc23)c8ccccc8)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	1	"575345"	"70570568"
"339316"	339316	""	"C\C(=N\NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	NA	NA	2	2	"461070"	"88324521"
"339496"	339496	"1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-"	"COc1cc(N)ccc1Nc2c3ccccc3nc4ccccc24"	0	""	""	2	1	"334401"	NA
"339555"	339555	"Bryostatin 1"	"CCC\C=C\C=C\C(=O)OC1\C(=C\C(=O)OC)\CC2CC(OC(=O)CC(O)CC3CC(OC(=O)C)C(C)(C)C(O)(CC4C\C(=C\C(=O)OC)\CC(O4)\C=C\C(C)(C)C1(O)O2)O3)C(C)O"	0	NA	NA	16	2	"575371"	"83314016"
"339570"	339570	"4h-1,4-oxaphosphorinium, 2,2'-methylenebis[4,4,6-triphen..."	"C(C1=C[P+](C=C(O1)c2ccccc2)(c3ccccc3)c4ccccc4)C5=C[P+](C=C(O5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	"54604547"	"21680897"
"339578"	339578	"TCMDC-124301"	"Nc1nc(N)c2c(ccc3[nH]ccc23)n1"	0	""	""	2	2	"334409"	"65795371"
"339579"	339579	"7h-pyrrolo[3,2-f]quinazoline-2,4-diamine, 7-[(3-nitrophe..."	"Nc1nc(N)c2c(ccc3c2ccn3Cc4cccc(c4)[N+](=O)[O-])n1"	0	NA	NA	2	2	"461133"	NA
"339585"	339585	"2-((3-(Dimethylamino)propyl)amino)-1,4-dihydroxyanthra-9,10-quinone"	"CN(C)CCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	1	1	"428781"	"3900434"
"339600"	339600	""	"Cc1cc(C)c(C#N)c(SCC(=O)c2sc3c(C#N)c(C)cc(C)[n+]3c2O)n1"	0	NA	NA	2	2	"575390"	NA
"339616"	339616	"2-naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluorom..."	"OC(=O)c1cc2ccccc2c(N=Nc3cc(ccc3Cl)C(F)(F)F)c1O"	0	""	""	1	1	"100655"	"52238945"
"339638"	339638	"fostriecin"	"[Na+].C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(=O)(O)O"	0	NA	NA	13	11	"461173"	"87810568"
"339660"	339660	"18-Acetoxyaphidicolin"	"CC(=O)OCC1(C)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO"	0	NA	NA	2	2	"575396"	"82026037"
"339672"	339672	"stypoldione"	"CC1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C14CC5=C(O4)C(=CC(=O)C5=O)C"	0	""	""	1	1	"3034636"	"71103054"
"339704"	339704	"POE5E5Q5PZ"	"CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"334473"	"81721746"
"339705"	339705	"5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione, 6-(2-hydrox..."	"OCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"334474"	"81721791"
"339768"	339768	"4-quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-flu..."	"Cc1c(nc2ccc(F)cc2c1C(=O)O)c3ccc(cc3)C4CCCCC4"	0	""	""	2	2	"5167181"	NA
"339866"	339866	"1h-isoindole-1,3(2h)-dione, 5,5'-dithiobis[6-chlorohexah..."	"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC(Cl)C(CC2C1=O)SSC3CC4C(CC3Cl)C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C4=O"	0	""	""	2	2	"334486"	NA
"339875"	339875	"Phorbol, diacetyl-12-octadienoyl-4-deoxy-"	"CCC\C=C\C=C/C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(=O)C)COC(=O)C"	0	NA	NA	6	5	"461217"	"71906586"
"339877"	339877	"4(1h)-quinazolinone, 2,3-dihydro-2-(1-methyl-1h-indol-3-..."	"Cn1cc(C2NC(=O)c3ccccc3N2)c4ccccc14"	0	""	""	2	2	"334489"	NA
"339908"	339908	"NOHFHPIPRSKJQF-UHFFFAOYSA-N"	"CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4)c3C(=O)N2C"	0	""	""	1	1	"334509"	"64769682"
"340005"	340005	"SANPAH"	"[O-][N+](=O)c1cc(ccc1NCCCCCC(=O)ON2C(=O)CCC2=O)N=[N+]=[N-]"	0	""	""	1	1	"3035550"	"64309053"
"340292"	340292	"Aphidicolin, 6-B-hydroxy-"	"CC1(CO)C(O)CCC2(C)C1C(O)CC3CC4CC23CCC4(O)CO"	0	NA	NA	6	1	"575477"	"82026071"
"340847"	340847	"4-selenazolecarboxamide, 2-.beta.-d-ribofuranosyl-"	"NC(=O)c1c[se]c(n1)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	"461455"	"83705139"
"341196"	341196	"1,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-cyclopropyl..."	"COc1cc(ccc1NC(=O)NC2CC2)c3ccc(NC(=O)NC4CC4)c(OC)c3"	0	""	""	2	2	"334739"	NA
"341651"	341651	"senecioylchaparrin, 6-alpha- (b815099k220)"	"CC1C(O)C2(O)OCC34C1CC(=O)OC3C(OC(=O)C=C(C)C)C5C(=CC(O)C(O)C5(C)C24)C"	0	NA	NA	5	5	"575537"	NA
"341931"	341931	"carbamic acid, [5-amino-3-(2,4-dichlorophenyl)-1,2-dihyd..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc(Cl)cc3Cl"	0	""	""	2	2	"100668"	"82585975"
"341936"	341936	"adenosine, 2-bromo-2'-deoxy-"	"Nc1nc(Br)nc2c1ncn2C3CC(O)C(CO)O3"	0	NA	NA	2	2	"461602"	"89178212"
"341956"	341956	"1h-indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2,3-dihy..."	"COC(=O)C1(C)Cc2cc(OC(=O)C)c(OC(=O)C)cc2N1"	0	""	""	2	2	"334839"	"72014018"
"341960"	341960	"Psoralin, B-diethylamino-5-ethoxy-"	"CCN(CC)CCOc1c2C=CC(=O)Oc2cc3occc13"	0	NA	NA	1	1	"575554"	"65799691"
"342435"	342435	"quinazolinone"	"Oc1ccc2NC(NC(=O)c2c1)c3cccc4ccccc34"	0	""	""	6	2	"334935"	NA
"342443"	342443	"Phyllanthoside, S3'-desacetyl-"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(O)C7O"	0	NA	NA	5	5	"575583"	NA
"342609"	342609	"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	"O=C1N(CC#C)C2=C(C(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"334955"	"81721780"
"342610"	342610	"STL523755"	"O=C1N(C2=C(C(=O)c3ccccc23)c4ccccc14)c5cccnc5"	0	""	""	2	2	"334956"	"81721837"
"342674"	342674	"chebulagic acid"	"OC1C2C(CC(=O)O)C(=O)OC3C4COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)OC3C(OC(=O)c7cc(O)c(O)c(OC1=O)c27)C(OC(=O)c8cc(O)c(O)c(O)c8)O4"	0	NA	NA	1	1	"461745"	NA
"342731"	342731	"Diosquinone"	"Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c3c(C)cc4C(=O)C5OC5C(=O)c4c3O"	0	""	""	2	2	"122720"	NA
"342913"	342913	"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	"OCCOCCOc1cccc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"335015"	NA
"342979"	342979	"1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one"	"CN(C)CCNc1ccc(C)c2Oc3ccc(O)cc3C(=O)c12"	0	""	""	2	2	"434117"	"86455961"
"343039"	343039	"2-propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-c..."	"COc1cc(\C=C(/C#N)\C(=O)N)cc(Br)c1O"	0	""	""	2	1	"709958"	NA
"343226"	343226	"Methanesulfonic acid;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline"	"[O-][N+](=O)c1ccc2c(ncnc2c1)N3CCC(CCCC4CCN(CC4)c5ncnc6cc(ccc56)[N+](=O)[O-])CC3"	0	""	""	2	2	"54611099"	"52791169"
"343231"	343231	"4-[(E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide"	"CN(C)c1ccc(\C=C\c2cc[n+](C)c(\C=C\c3ccc(cc3)N(C)C)c2)cc1"	0	""	""	2	2	"51062575"	NA
"343256"	343256	"Stubomycin"	"COC1CC2\C=C(\C)/C=C/C=C/C(=O)NC(C\C=C\CCC(O)CC(=O)C2=C1O)c3ccccc3"	0	NA	NA	2	2	"461879"	"77642194"
"343378"	343378	"1h-indene-1,3(2h)-dione, 2-[[(2-methylphenyl)imino]pheny..."	"Cc1ccccc1\N=C(\C2C(=O)c3ccccc3C2=O)/c4ccccc4"	0	""	""	1	1	"335118"	"90421935"
"343499"	343499	"CI-921: amsacrine derivative"	"CNC(=O)c1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3OC)c4cccc(C)c4nc12"	0	"TOP2"	""	7	7	"157348"	"80841481"
"343513"	343513	"Dihydrolenperone"	"OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(F)cc3"	0	""	""	14	2	"100146"	"38077122"
"343550"	343550	"1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole"	"Cc1cc(ccc1Br)n2nnnc2SCC#C"	0	""	""	1	1	"335168"	NA
"344003"	344003	"9,10-anthracenedione, 1,5-bis[[3-[(2-hydroxyethyl)amino]..."	"OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12"	0	""	""	1	1	"335352"	NA
"344007"	344007	"Piperazine"	"ClCCCN1CCN(CCCl)CC1"	0	"A7"	""	9	7	"-1"	NA
"344025"	344025	"sergiolide"	"COC(=O)C12OCC34C(CC5C(C)C6=CC(=O)OC6=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C)C24"	0	NA	NA	9	1	"575686"	"82290173"
"344270"	344270	"carbamic acid, (5-amino-3-phenyl-2h-pyrido[4,3-b]-1,4-ox..."	"CCOC(=O)Nc1cc2OCC(=Nc2c(N)n1)c3ccccc3"	0	""	""	2	2	"100678"	"87607292"
"344505"	344505	"5h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6h)-..."	"COc1cc2[C@@H]3[C@H](N(C)C(=O)c2cc1OC)c4cc5OCOc5cc4C3=O"	0	NA	NA	3	3	"462209"	"66358507"
"344688"	344688	"benzo[c]phenanthridinium, 2,3,8,9,12-pentamethoxy-5-meth..."	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OC)cc3c2cc1OC"	0	""	""	2	2	"21144847"	NA
"344832"	344832	"tricyclo[11.3.1.1(5,9)]octadeca-1(17),5,8,13,15-pentaene..."	"COc1cc2CCCC3=CC(=O)C=C(CCCc(c1)c2OC)C3=O"	0	NA	NA	2	2	"462261"	"71461295"
"345081"	345081	"NCIMech_000338"	"NP(=O)(Oc1c2OC(=O)C=Cc2cc3ccoc13)N(CCCl)CCCl"	0	""	""	1	1	"335450"	"88181195"
"345296"	345296	"N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide"	"CC(NNC(=S)N1CCCCCC1)c2ccc3ccccc3n2"	0	""	""	2	2	"3436670"	"90504226"
"345647"	345647	"Chaetochromin"	"CC1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)C1C)c4c(O)cc(O)c5c(O)c6C(=O)C(C)C(C)Oc6cc45"	0	NA	NA	1	1	"462348"	"75514373"
"345842"	345842	"mafosfamide"	"OS(=O)(=O)CCSC1CCOP(=O)(N1)N(CCCl)CCCl"	0	""	""	2	1	"335628"	NA
"345845"	345845	"4-quinolinamine, 3-(4,5-dimethylbenzo[h]-1,6-naphthyridi..."	"Cc1cc(nc2c3ccccc3nc(C)c12)c4c(C)nc5ccccc5c4N"	0	""	""	2	2	"335629"	"71993163"
"346098"	346098	"2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide"	"CC1=C[P+](c2ccccc2)(c3ccccc3)c4ccccc4O1"	0	""	""	1	1	"24199840"	NA
"346230"	346230	"Enviroxime"	"CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)\C(=N\O)\c3ccccc3"	0	""	""	1	1	"5748733"	"72301792"
"346243"	346243	""	"CC(CCc1ccc2c(c1)c(N)c3ccc(N)cc3[n+]2[O-])CC(C)(C)C"	0	NA	NA	1	1	"575779"	NA
"346882"	346882	"1,10-Phenanthroline-5,6-dione"	"O=C1C(=O)c2cccnc2c3ncccc13"	0	""	""	2	2	"72810"	"27318907"
"347217"	347217	"carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)py..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc4ccccc4c3"	0	NA	NA	2	2	"575821"	NA
"347466"	347466	"Selendale"	"O[Se](=O)O"	0	""	""	2	2	"54601159"	"10102188"
"347512"	347512	"flavone acetic acid"	"OC(=O)Cc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	20	3	"55748"	"87626559"
"348115"	348115	"Gilvocarcin V"	"COc1cc(C=C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C(C)O)C(O)C5O)c34)c12"	0	""	""	2	1	"334288"	"77879904"
"348121"	348121	"cyano-napa"	"COC1=C(C)C(=O)C2=C(C(CO)N3C(C#N)C4CC5C6OCCN6C2C3C5N4C)C1=O"	0	NA	NA	2	2	"575850"	NA
"348400"	348400	"9h-purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-d..."	"Nc1nc(Sc2ccc(c3nonc23)[N+](=O)[O-])c4ncn(C5OC(CO)C(O)C5O)c4n1"	0	""	""	2	2	"335945"	NA
"348401"	348401	"4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole"	"Nc1nc(Sc2ccc(c3nonc23)[N+](=O)[O-])c4nc[nH]c4n1"	0	""	""	3	3	"3246652"	NA
"348402"	348402	"7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole"	"[O-][N+](=O)c1ccc(Sc2ncnc3[nH]cnc23)c4nonc14"	0	""	""	1	1	"4982876"	"84458526"
"348894"	348894	"benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-n-(amin..."	"NC(=N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc4ccccc24)cc1"	0	""	""	5	5	"335981"	NA
"348900"	348900	"US9320734, 316"	"CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4"	0	""	""	1	1	"335987"	NA
"348948"	348948	"Cyclodisone"	"O=S1(=O)CS(=O)(=O)OCCO1"	0	"A7"	""	10	3	"57513"	"99591738"
"348977"	348977	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	""	""	4	3	"10248991"	"71555550"
"349051"	349051	"quinoline-4-amine, n,n'-1,6-hexanediylbis[6-chloro-, dih..."	"Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1"	0	""	""	4	2	"434361"	NA
"349155"	349155	"margetine"	"OC1C=C2C(NC(=O)c3cc4OCOc4cc23)C(O)C1O"	0	NA	NA	11	2	"575919"	"19622834"
"349156"	349156	"Pancratistatin"	"O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O"	0	NA	NA	16	2	"463016"	"96203702"
"349174"	349174	"Oxanthrazole"	"NCCCNc1ccc2c3c(nn2CCNCCO)c4c(O)ccc(O)c4C(=O)c13"	0	"TOP2"	""	18	16	"-1"	"105118125"
"349447"	349447	"tryptanthrin"	"O=C1N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	2	2	"73549"	"13220570"
"349460"	349460	"Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)"	"N[Pt]1(NC2CCC2)OC(=O)C3CCCCC3C(=O)O1"	0	""	""	1	1	"434393"	NA
"349622"	349622	"cytovaricin"	"CCC(O)CC1OC2(CCC1C)CC3OC(=O)\C=C/C(C)(O)C(O)C(C)C(O)C(OC4CC(OC)C(O)C(C)O4)C(O)C(C)(O)CCC\C=C\C5CC(C)COC5(O)CC(O2)C3C"	0	NA	NA	2	2	"575944"	"79553450"
"349644"	349644	"Cyanocycline A"	"COC1=C(C)C(=O)C2=C(C(CO)N3C(C#N)C4CC5C6OCCN6C2C3C5N4C)C1=O"	0	""	""	8	7	"100158"	"82423050"
"349856"	349856	"ARONIS020095"	"[O-][N+](=O)c1ccc2N=C3N(C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	"336271"	NA
"350013"	350013	"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate"	"CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1"	0	""	""	1	1	"336310"	"62415934"
"350102"	350102	"1,3-benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-"	"COc1ccc(cc1)C(C)c2cc3OCOc3cc2OC"	0	""	""	4	2	"72564"	"71712168"
"350378"	350378	"9h-purin-6-amine, 9-(2-azido-2-deoxy-.beta.-d-arabinofur..."	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3N=[N+]=[N-]"	0	NA	NA	3	2	"575984"	"69370827"
"350625"	350625	"tic10"	"Cc1ccccc1CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)N5CCN=C25"	0	""	"Clinical trial"	3	2	"-1"	"1616632779"
"350629"	350629	"2-propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-d-..."	"CN(C)CC(=C)C(=O)c1ccc(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)cc1"	0	""	""	4	4	"336424"	NA
"350895"	350895	"pingyangmycin"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCN"	0	NA	NA	2	1	"576000"	"11116328"
"351074"	351074	"3-azabicyclo[3.2.2]nonane-3-carbothioic acid,[1-(1-oxido..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccc[n+]3[O-]"	0	NA	NA	2	2	"463392"	"87587142"
"351075"	351075	"1h-azepine-1-carbothioic acid, hexahydro-, [1-(2- pyridi..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2cccc[n+]2[O-]"	0	NA	NA	4	3	"463393"	"87587040"
"351078"	351078	"hydrazinecarbothioamide, n,n-dimethyl-2-[1-(2-pyridinyl)..."	"CN(C)C(=S)N\N=C(/C)\c1cccc[n+]1[O-]"	0	""	""	6	4	"44384025"	"87587017"
"351105"	351105	"4,8-iminocyclohepta[c]pyrrole-1,3,5(2h)-trione, 3a,4,8,8..."	"O=C1C=CC2C3C(C1N2Cc4ccccc4)C(=O)N(C3=O)c5ccccc5"	0	""	""	3	1	"336482"	NA
"351239"	351239	"benzene, 1,4-dichloro-2,5-bis(2-nitroethenyl)-"	"[O-][N+](=O)\C=C\c1cc(Cl)c(\C=C\[N+](=O)[O-])cc1Cl"	0	""	""	2	2	"21140908"	"90876907"
"351478"	351478	"4-pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-di..."	"OCCN1N=C(C(=C(C#N)C1=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	2	2	"100710"	"75644052"
"351520"	351520	"5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol"	"OC1(N2CCNC2=Nc3ccccc13)c4ccccc4"	0	""	""	1	1	"336607"	"68210559"
"351521"	351521	"Piritrexim Isethionate"	"COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1"	0	NA	NA	2	2	"463557"	"79483695"
"351594"	351594	"tin, [1,4-butanediylbis[diphenylphosphine oxide]-o,o']di..."	"Cl[Sn]1(Cl)(c2ccccc2)(c3ccccc3)[O]=P(CCCCP(=[O]1)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	2	2	"576081"	"79138593"
"351710"	351710	"2-methylellpticinium"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	10	9	"21123185"	"66604680"
"351813"	351813	"N'-(2,3-dihydroxybenzylidene)benzohydrazide"	"Oc1cccc(\C=N/NC(=O)c2ccccc2)c1O"	0	""	""	2	2	"135403169"	NA
"351866"	351866	"4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one"	"CC1(C)NP2(Nc3ccccc3O2)OC1=O"	0	""	""	1	1	"6330525"	NA
"351907"	351907	"mastoparan"	"CCC(C)C(N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N"	0	NA	NA	2	1	"576126"	"72093211"
"351965"	351965	"AC1Ntnke"	"C\C(=C\1/N=C(OC1=O)c2ccccc2)\c3ccccc3"	0	""	""	1	1	"5384656"	"57427915"
"352122"	352122	"Trimetrexate glucuronate"	"COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.OC(C=O)C(O)C(O)C(O)C(=O)O"	0	"Df|DHFR"	"FDA approved"	19	10	"54949"	"82952645"
"352277"	352277	"colchicide.hcl"	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C=CC=C3c2c(OC)c1OC"	0	""	""	5	3	"120712"	"86436502"
"352299"	352299	"2-methylellpticinium"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	11	10	"24199985"	NA
"352330"	352330	"Bis(helenalinyl)glutarate"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CCCC(=O)O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H]5C=CC(=O)[C@@]35C)OC(=O)C4=C)[C@@]6(C)[C@H]1C=CC6=O"	0	""	""	3	3	"336831"	"77928519"
"352670"	352670	"benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-..."	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCc5ccccc5)cc3c2cc1OC"	0	""	""	2	2	"434589"	NA
"352671"	352671	"2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid"	"CCOc1cc2c(OCc3ccccc3)cc4c5cc(OC)c(OC)cc5c[n+](C)c4c2cc1OC"	0	""	""	2	2	"434591"	NA
"352692"	352692	"1,3-benzodioxole, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-prop..."	"COc1ccc(cc1)C(C)c2cc3OCOc3cc2OCC=C"	0	""	""	2	2	"336858"	NA
"352741"	352741	"N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide"	"CC(NNC(=S)N1CCN(CC1)c2ccccn2)c3cccc[n+]3[O-]"	0	""	""	1	1	"3003953"	"87587200"
"352752"	352752	"1h-pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,..."	"[R]CO.[R]COC(=O)NC.Clc1ccc(cc1Cl)c2ccc3CCCn23"	0	NA	NA	1	1	"576184"	NA
"352876"	352876	"ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-ben..."	"COc1cc(cc(OC)c1OC)C(C)c2cc3OCOc3cc2OCCO"	0	""	""	1	1	"336892"	NA
"352890"	352890	"9-deazaadenosine"	"Nc1ncnc2c(c[nH]c12)C3OC(CO)C(O)C3O"	0	""	""	4	2	"5351324"	"77691033"
"353076"	353076	"6h-pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]-5..."	"[Br-].[Br-].CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	10	9	"54600648"	NA
"353255"	353255	"Mercuric Chloride"	"Cl[Hg]Cl"	0	""	""	2	2	"24085"	"7487947"
"353281"	353281	"2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid"	"OC(=O)C(Cc1ccc(I)cc1)NC(=O)c2ccc(I)cc2"	0	""	""	2	1	"336952"	NA
"353286"	353286	"3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid"	"OC(=O)C(Cc1ccc(Cl)cc1)NC(=O)c2ccc(I)cc2"	0	""	""	2	1	"336957"	NA
"353451"	353451	"Mitozolomide"	"NC(=O)c1ncn2C(=O)N(CCCl)N=Nc12"	0	"A7"	""	10	6	"71766"	"85622953"
"353492"	353492	"8H-[1,3]Oxazolo[3,4-a]perimidin-10-one"	"O=C1OCC2=Nc3cccc4cccc(N12)c34"	0	""	""	1	1	"337010"	"61636213"
"353494"	353494	"colchicine analog"	"CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13"	0	NA	NA	7	4	"464008"	"86436353"
"353500"	353500	"[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate"	"O=C(O[Sn](OC(=O)c1ccccn1)(c2ccccc2)c3ccccc3)c4ccccn4"	0	""	""	1	1	"16683508"	"5271727"
"353527"	353527	"Antineoplastic-353527"	"CCOc1ccc(N\C(=O\[Sn+4]([ClH-])([C-]2CCCCC2)([C-]3CCCCC3)[C-]4CCCCC4)\[N-]C#N)cc1.CCN(CC)CC"	0	NA	NA	4	2	"576231"	NA
"353648"	353648	"1,3-benzodioxole, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-"	"CCOc1ccc(cc1)C(C)c2cc3OCOc3cc2OC"	0	""	""	1	1	"337030"	"90632705"
"353739"	353739	"Bismuthine, (acetyloxy)diphenyl-"	"CC(=O)O[Bi](c1ccccc1)c2ccccc2"	0	""	""	1	1	"16683509"	"4723244"
"353849"	353849	"teupensin"	NA	0	NA	NA	1	1	"464103"	NA
"353882"	353882	"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	"CN1C=C(C=C(C(=O)C)C(=O)C)C(=O)N(C)C1=O"	0	""	""	5	3	"337115"	"74442981"
"353896"	353896	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[1-(1-..."	"CC(NNC(=S)N1CCN(CC1)c2ccccn2)c3nccc4ccccc34"	0	""	""	2	2	"3000691"	"87555622"
"354049"	354049	"lmu-3 herz"	"CC(=O)OC\C=C(/C)\C(=O)OC1CC2(C)OC2\C=C/C(=C/C3OC(=O)C(=C)C13)/CO"	0	NA	NA	3	2	"576259"	"87376861"
"354051"	354051	"Liscunditrin"	"C\C=C(/COC(=O)C)\C(=O)OC1CC2(C)OC2C3OC3\C(=C\C4OC(=O)C(=C)C14)\CO"	0	NA	NA	3	2	"576261"	"57498881"
"354258"	354258	"8-Chloro-adenosine"	"Nc1ncnc2c1nc(Cl)n2C3OC(CO)C(O)C3O"	0	"AM"	"Clinical trial"	3	3	"337175"	"34408145"
"354437"	354437	"cordifene"	"C\C=C(/C)\C(=O)OC1CC2(C)OC2C3OC3C(=C)C(O)C4OC(=O)C(=C)C14"	0	NA	NA	1	1	"576292"	"65522329"
"354462"	354462	"Hypothemycin"	"COc1cc(O)c2C(=O)OC(C)C\C=C\C(=O)C3OC3CC(O)C(O)c2c1"	0	"PK:YK,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"76958673"
"354646"	354646	"Morpholinodoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N6CCOCC6)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP1"	""	36	5	"-1"	"89196043"
"354670"	354670	"3-azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thia..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3nccs3"	0	NA	NA	5	3	"464294"	NA
"354671"	354671	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2- t..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3nccs3"	0	NA	NA	4	3	"464295"	NA
"354843"	354843	"Albacarcin M"	"COc1cc(C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C)C(O)C(C)(O)C5O)c34)c12"	0	NA	NA	6	3	"464321"	"92934548"
"354844"	354844	"Albacarcin V"	"COc1cc(C=C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C)C(O)C(C)(O)C5O)c34)c12"	0	""	""	7	1	"122815"	"82196881"
"354961"	354961	"3-((9-amino-7-ethoxyacridin-3-yl)diazenyl)pyridine-2,6-d..."	"CCOc1ccc2nc3cc(ccc3c(N)c2c1)\N=N\c4ccc(N)nc4N"	0	NA	NA	2	2	"576325"	NA
"354974"	354974	"acetamide, n-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dime..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(OC)c23)NC(=O)C"	0	""	""	7	7	"100173"	"57866214"
"354975"	354975	"1,2-Didemethylcolchicine"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(O)c(O)c23)NC(=O)C"	0	""	""	4	4	"100174"	"78231831"
"355063"	355063	"granatomycin a"	NA	0	""	""	3	2	"135476747"	NA
"355081"	355081	"Quinterenol hydrochloride"	"CC(C)NCC(O)c1ccc(O)c2ncccc12"	0	NA	NA	1	1	"576339"	"31613920"
"355170"	355170	"9N2BLV59GJ"	"c1ccc(cc1)c2cnnc3c4c(c5ccccc5)c(nnc4nn23)c6ccccc6"	0	""	""	1	1	"337393"	"79441922"
"355171"	355171	"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	"COc1ccc(cc1)c2cnnc3c(cnn23)c4cccc(c4)C(F)(F)F"	0	""	""	1	1	"337394"	"79441933"
"355184"	355184	"9h-xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-h..."	"CN(C)CCNc1ccc(CO)c2Oc3ccc(O)cc3C(=O)c12"	0	""	""	2	1	"337396"	"86455983"
"355256"	355256	"benzamide, 3,4,5-trimethoxy-n-(5,6,7,9-tetrahydro-1,2,3,..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	7	7	"576358"	"86436397"
"355450"	355450	"acetamide, 2-phenoxy-n-(5,6,7,9-tetrahydro-1,2,3,10-tetr..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)COc4ccccc4"	0	""	""	8	4	"100175"	"86436455"
"355457"	355457	"11h-indeno[1,2-c]isoquinolinium, 9-hydroxy-2,3,8-trimeth..."	"COc1cc2c(Cc3c2[n+](C)cc4cc(OC)c(OC)cc34)cc1O"	0	NA	NA	2	2	"576368"	"96705565"
"355461"	355461	"Sesbanimide"	"CC1C(=C)COC1(O)C2OCOC(C3CC(=O)NC(=O)C3)C2O"	0	NA	NA	4	1	"464531"	NA
"355637"	355637	"colchicine, n-carbethoxy-deacetyl"	"CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13"	0	""	""	8	4	"55498"	"86436422"
"355638"	355638	"n-107-4 (streptomyces sp)"	NA	0	NA	NA	2	2	"464543"	NA
"355639"	355639	"8XC2K63IJD"	"CCCCCCN1CCN(Cc2ccc(cc2)N(CC)CC)C(=O)C1=O"	0	""	""	1	1	"100732"	"78201806"
"355644"	355644	"Anthrapyrazole derivative"	"CNCCNc1ccc2c3c(nn2CCNCCO)c4c(O)ccc(O)c4C(=O)c13.CC(=O)O"	0	"TOP2"	""	27	18	"-1"	NA
"356200"	356200	"1,3,5,2,4-trioxadistannin-6-one, 2,2,4,4-tetraethyl-"	"CC[Sn]1(CC)OC(=O)O[Sn](CC)(CC)O1"	0	""	""	2	2	"16683517"	"87880635"
"356207"	356207	"paulomycin a"	"CC[C@H](C)C(=O)O[C@H](C)C1(O)C(C)OC(CC1OC)OC2C(O)C(OC(COC(=O)C)C2OC(=O)\C(=C\C)\N=C=S)[C@]3(O)CC(=O)C(=C(C(=O)O)C3=O)N"	0	""	""	4	2	"135488940"	NA
"356232"	356232	"poly[1h-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-..."	"[R]CC(=O)O[Sn](CC)(CC)n1cc([R])c2ccccc12"	0	NA	NA	1	1	"576407"	NA
"356235"	356235	"l-cysteine, homopolymer, diphenyltin complex"	NA	0	NA	NA	1	1	"664294"	NA
"356244"	356244	"carbamic acid, (1-methylethyl)-, [5-(4-chlorophenyl)-2,3..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc(Cl)cc2)n3CCCc13"	0	""	""	2	2	"337614"	NA
"356363"	356363	""	"CN1CCN(CCCNN)CC1"	0	NA	NA	1	1	"576413"	NA
"356777"	356777	"2-propen-1-one, 3-(4-chlorophenyl)-1-(1-hydroxy-7-oxo- 1..."	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc(Cl)cc2"	0	""	""	2	2	"5918418"	NA
"356778"	356778	"2-propen-1-one, 1-(1-hydroxy-7-oxo-1,3,5-cycloheptriene-..."	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	2	"54604759"	NA
"356885"	356885	"antibiotic p 168"	"CCC(C)\C=C\C(=O)N1CC(C)CC1C(=O)NC(CC(C)CC(O)CC(=O)CC)C(=O)NC(C(O)C(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C"	0	NA	NA	2	2	"576440"	"76600389"
"356887"	356887	"Coumarin deriv"	"C\C(=C/COc1ccc2C=CC(=O)Oc2c1)\CC3OC(=O)C(=C3)C"	0	""	""	1	1	"5776876"	"51559332"
"356894"	356894	"Gusperimus Trihydrochloride"	"NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(=N)N"	0	NA	NA	18	2	"576444"	"85468015"
"356903"	356903	"3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one"	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	"5889984"	"77633057"
"357088"	357088	"coleonol"	"CC(=O)O[C@@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C"	0	NA	NA	1	1	"464872"	"64657110"
"357090"	357090	"Quettamine"	"COc1ccc2CC[N+](C)(C)[C@@H]3[C@H](Oc1c23)c4ccc(O)cc4"	0	""	""	1	1	"5458827"	"82373022"
"357092"	357092	"Carboxyphthalato platinum"	"OC(=O)c1ccc2C(=O)O[Pt]3(NC4CCCCC4N3)OC(=O)c2c1"	0	""	""	1	1	"6419850"	NA
"357114"	357114	"nitralamine hydrochloride(usan)"	"NCCSC(C[N+](=O)[O-])c1ccccc1Cl"	0	NA	NA	2	2	"576450"	"1432753"
"357288"	357288	"Liatris laevigata lactone #2"	"C\C=C(/C)\C(=O)OC1CC2(C)C(C3OC(=O)C(=C)C13)C(=C)CCC2=O"	0	""	""	2	2	"5477810"	NA
"357503"	357503	"25-Dihydrosaframycin A"	"COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)O)N3C(C2)C4N(C)C(CC5=C4C(=O)C(=C(C)C5=O)OC)C3C#N)C1=O"	0	NA	NA	4	4	"576458"	"81382094"
"357594"	357594	"Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate"	"Cc1cc2c(cc1C)[N+]3=Cc4c(CO)cnc(C)c4O[Mg]35Oc6c(C)ncc(CO)c6C=[N+]25"	0	""	""	1	1	"3332004"	NA
"357680"	357680	"Buellolide"	"COc1cc(Oc2c(C)c(Cl)c(OC)c(Cl)c2OC)c3C(=O)OCc3c1Cl"	0	""	""	1	1	"337850"	"69799333"
"357683"	357683	"echinosporin"	"NC(=O)C1=CC2C3C=CC2(O)C(=O)OC3O1"	0	""	""	2	2	"72542"	"79127358"
"357703"	357703	"5,12-naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)[N+]([O-])(Cc6ccccc6)Cc7ccccc7)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	"337853"	NA
"357704"	357704	"Cyanomorpholinodoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N6CCOCC6C#N)c4c(O)c3C(=O)c12)C(=O)CO"	0	"Db"	""	35	5	"-1"	"88254073"
"357757"	357757	"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one"	"COc1ccc2C(=O)C3=C(NCCc4cc5OCOc5cc34)c2c1OC"	0	""	""	1	1	"337866"	"81816059"
"357777"	357777	""	"NC(=N)c1ccc(cc1)N=Nc2c(O)ccc3c4ccccc4[nH]c23"	0	NA	NA	3	2	"576482"	NA
"357826"	357826	"thapsuine a"	"CC1OC(OC2C(O)C(O)C(OC3C(O)C(C)OC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)[C@@H]5C=C[C@]78OC[C@@]9(CCC(C)(C)CC79)CC[C@@]68C)[C@]4(C)CO)C3OC%10OC(CO)C(O)C(O)C%10O)OC2CO)C(O)C(O)C1O"	0	""	""	2	1	"5458837"	"76429000"
"357885"	357885	"biantrazole"	"OCCNCCNc1ccc2c3c(nn2CCNCCO)c4cccc(O)c4C(=O)c13"	0	NA	NA	3	3	"576488"	"88303611"
"357895"	357895	"2-Ethyl-1,2-benzothiazol-3-one"	"CCN1Sc2ccccc2C1=O"	0	""	""	2	2	"337889"	"4299063"
"358257"	358257	"butanamide, n-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(m..."	"CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	6	2	"337948"	NA
"358304"	358304	"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione"	"COc1ccc(cc1)C2=C(Cl)C(=O)N(C(=O)C2(Cl)Cl)c3ccc(OC)cc3OC"	0	""	""	1	1	"337974"	NA
"359079"	359079	"rebeccamycin"	"COC1C(CO)OC(C(O)C1O)n2c3c(Cl)cccc3c4c5C(=O)NC(=O)c5c6c7cccc(Cl)c7[nH]c6c24"	0	"TOP1"	""	6	3	"-1"	"93908022"
"359239"	359239	"Antibiotic X-14766A"	"CCOC(=O)C1OC(CC1O)C2(C)OC3(OC4(OC(C(C)C(=O)C(C)C(O)C(C)CC(C)c5c(Cl)cc(C)c(O)c5C(=O)O)C(C)CC4C)C=CC3O)C(C)C2OC"	0	NA	NA	3	2	"576536"	"75283066"
"359415"	359415	"1-methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride"	"CN1CCC(CC1)C(=O)NNc2ccccc2"	0	""	""	3	2	"24200122"	NA
"359416"	359416	"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-"	"CC12CCc3ccccc3C1=Nc4ccccc24"	0	""	""	1	1	"338174"	"26490835"
"359449"	359449	"ellipticine deriv sri-nb-b233-55-29"	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	9	6	"5458841"	NA
"359452"	359452	"oxanosine"	"NC1=Nc2c(ncn2C3OC(CO)C(O)C3O)C(=O)O1"	0	NA	NA	2	1	"465290"	"80394725"
"359454"	359454	""	"[O-][N+](=O)c1ccc(N\N=C/2\CCCC\C(=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\CS(=O)(=O)C2)c(c1)[N+](=O)[O-]"	0	NA	NA	2	1	"465292"	"71138493"
"359463"	359463	"1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride"	"CCN(CC)Cc1cc(ccc1O)\N=N\c2c(O)ccc3c(\N=N\c4ccc(O)c(CN(CC)CC)c4)c(O)ccc23"	0	""	""	2	2	"135488941"	NA
"359466"	359466	"4-[(4-carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride"	"NC(=N)c1ccc(cc1)N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccccc4"	0	""	""	2	2	"135502362"	NA
"359565"	359565	"6-Formylphenoxathiine-4-carboxylic acid"	"OC(=O)c1cccc2Sc3cccc(C=O)c3Oc12"	0	""	""	1	1	"338202"	NA
"359701"	359701	"Maybridge3_000341"	"CC(=O)NC1=Cc2cc(N)ccc2OC1=O"	0	""	""	1	1	"338232"	NA
"359708"	359708	"1h-azepine-1-carbothioic acid, hexahydro-, [1-(3-methylp..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2nccnc2C"	0	""	""	1	1	"5378367"	NA
"359892"	359892	"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-"	"Cc1ccc2OC3OC(C)(C(=O)C=C3)c2c1"	0	""	""	2	2	"434882"	NA
"360038"	360038	"Iridogermanal"	"CC(=CC(O)C\C(=C\CC\C(=C/CCC1(C)C(CCCO)\C(=C(\C)/C=O)\CCC1(C)O)\C)\C)C"	0	""	""	1	1	"5458843"	"81456986"
"360042"	360042	"Haginin A"	"COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1OC"	0	""	""	2	2	"338286"	"74174291"
"360072"	360072	"Zuihonin A"	"C[C@H]1[C@@H](C)[C@@H](O[C@H]1c2ccc3OCOc3c2)c4ccc5OCOc5c4"	0	""	""	1	1	"338287"	NA
"360215"	360215	"8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid"	"OC(=O)C1C2C=CC(=O)C(C1C(=O)O)N2Cc3ccccc3"	0	""	""	1	1	"434893"	NA
"360219"	360219	"N-(1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide"	"CN1C(CC(=O)C(NC(=O)C)C1c2ccccc2)c3ccccc3"	0	""	""	1	1	"338325"	NA
"360239"	360239	"piperidine, 2,6-diphenyl-1-methyl-4-[(phenylmethoxy)imin..."	"CN1C(CC(=NOCc2ccccc2)CC1c3ccccc3)c4ccccc4"	0	""	""	4	2	"338334"	NA
"360335"	360335	"2,4-hexanedione, 3-[(3,4-dichlorophenyl)methylene]-6-(di..."	"CC(CN(C)C)C(=O)\C(=C\c1ccc(Cl)c(Cl)c1)\C(=O)C"	0	""	""	1	1	"54607735"	NA
"360494"	360494	"1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	"OC(=O)c1nn(c2ccc(Cl)cc2)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	1	1	"338385"	"79712611"
"360702"	360702	"1-piperazinecarboxylic acid, 4-formyl-, 2-[2,5-bis(1-azi..."	"COC(COC(=O)N1CCN(CC1)C=O)C2=C(N3CC3)C(=O)C(=C(N4CC4)C2=O)C"	0	""	""	2	2	"338440"	"91706557"
"360852"	360852	"angelylgrandifloric acid"	"C\C=C(/C)\C(=O)OC1C(=C)C2CCC3C4(C)CCCC(C)(C4CCC13C2)C(=O)O"	0	NA	NA	1	1	"576635"	NA
"360853"	360853	"Methyl ciliarate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@@H]5[C@@H](C[C@@H]23)[C@]5(C)C4"	0	""	""	1	1	"338441"	NA
"361054"	361054	"3-methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole"	"CC1C(Nc2ccccc12)c3[nH]c4ccccc4c3C"	0	""	""	1	1	"338452"	"30697097"
"361126"	361126	"destruxin a"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	NA	NA	1	1	"576648"	NA
"361127"	361127	"destruxin e"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC3CO3)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	""	""	3	2	"107863"	NA
"361128"	361128	"Skyrin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)c4c(O)cc(O)c5C(=O)c6c(O)cc(C)cc6C(=O)c45"	0	""	""	6	2	"73071"	"602062"
"361413"	361413	"Neotenone"	"COc1cc2OCOc2cc1C3COc4cc5occc5cc4C3=O"	0	""	""	1	1	"73603"	"10091028"
"361589"	361589	"Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium"	"COc1cc2c[n+](C)c3c4cc(OC)c(OCc5ccccc5)cc4c(OCc6ccccc6)cc3c2cc1OC"	0	""	""	2	2	"24200166"	NA
"361605"	361605	"2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-[tetrahydro-5-oxo..."	"C[Si](C)(C)OC1CC(=O)OC1N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"434954"	NA
"361667"	361667	"N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide"	"CC(=O)NC1=Cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2OC1=O"	0	""	""	1	1	"338565"	NA
"361668"	361668	"N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide"	"CC(=O)NC1=Cc2cc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2OC1=O"	0	""	""	1	1	"338566"	NA
"361671"	361671	"4HO2NF1XS3"	"O=C1Oc2ccccc2C3=C1Sc4ccccc4N3"	0	""	""	1	1	"338569"	"75908144"
"361672"	361672	"STK865620"	"N(\N=C\c1cccnc1)c2nnc3c4ccccc4[nH]c3n2"	0	""	""	1	1	"5771686"	"73718282"
"361792"	361792	"Thiocolchicine"	"COc1c(O)cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC"	0	"TUBB"	""	9	6	"-1"	"87424257"
"361887"	361887	"1h-purine-2,6-dione, 8-[3-(dimethylamino)propoxy]-3,7- d..."	"CN(C)CCCOc1nc2N(C)C(=O)N(C)C(=O)c2n1C.SC3=NC=NC4=NC=NC34"	0	""	""	1	1	"5477848"	"80539942"
"362342"	362342	"6-Nitrobenzo[g]quinoxaline-5,10-dione"	"[O-][N+](=O)c1cccc2C(=O)c3nccnc3C(=O)c12"	0	""	""	1	1	"338711"	"72225231"
"362453"	362453	"butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyan..."	"OC(=O)CCC(=O)OCCN1N=C(C(=C(C#N)C1=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	4	2	"100760"	"82232197"
"362454"	362454	"4-pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-di..."	"OCCN1N=C(C(=C(C#N)C1=O)c2ccc(F)cc2)c3ccc(F)cc3"	0	""	""	3	2	"100761"	"75643560"
"362637"	362637	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide"	"NC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	"338739"	"77719949"
"362639"	362639	"2-(2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)ph..."	"OC(=O)C1=NN(C(=O)NC1=O)c2ccccc2C3=NNC(=O)NC3=O"	0	""	""	1	1	"338741"	"72177301"
"362664"	362664	"3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one"	"CN(\N=C\1/C(=O)Nc2ccccc12)c3ccccc3"	0	""	""	1	1	"135403203"	NA
"362868"	362868	"methanediamine, 1-(2-chlorophenyl)-n,n'-dipyrazinyl-"	"Clc1ccccc1C(Nc2cnccn2)Nc3cnccn3"	0	""	""	1	1	"100764"	"93371949"
"363002"	363002	"Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol"	"COc1cccc2C=[N+](c3cc(C)ccn3)[Cu]4(Oc5c(OC)cccc5C=[N+]4c6cc(C)ccn6)Oc12"	0	""	""	1	1	"435019"	NA
"363143"	363143	"stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13,16-..."	"Cl[Sn](Cl)(c1ccccc1)c2ccccc2.C3COCCOCCOCCOCCOCCO3"	0	""	""	2	2	"338856"	NA
"363182"	363182	"Kijanimicin deriv"	"COC1C(O)CC(OC2C(O)CC(OC3CC(OC4C(C)CC(C)C5C4C=CC6\C(=C/CC(OC7CC(C)(C(NC(=O)OC)C(C)O7)[N+](=O)[O-])\C(=C/C8C=C(CO)C(C)CC89OC(=O)C(=C9O)C(=O)C56C)\C)\C)OC(C)C3O)OC2C)OC1C"	0	NA	NA	8	4	"576756"	NA
"363250"	363250	"benzo[c]phenanthridinium, 2,12-dihydroxy-3,8,9-trimethox..."	"COc1cc2c(cc1O)c(O)cc3c4cc(OC)c(OC)cc4c[n+](C)c23"	0	""	""	2	2	"24200207"	NA
"363438"	363438	"1,2-Piid"	"c1ccc2c(c1)[nH]c3c2nc4ccccn34"	0	""	""	1	1	"100767"	"60067392"
"363785"	363785	"Veprisine"	"COc1ccc2C3=C(C=CC(C)(C)O3)C(=O)N(C)c2c1OC"	0	""	""	1	1	"338941"	"76525263"
"363787"	363787	"Bulleyanin"	"CC(=O)O[C@@H]1C(O)C2C[C@]3([C@@H](C[C@H]4C(C)(C)[C@@H](CC(OC(=O)C)C4(C)[C@@H]13)OC(=O)C)OC(=O)C)C(=O)C2=C"	0	NA	NA	3	3	"466138"	NA
"363811"	363811	"platinum, tetrachloro(1,2-cyclohexanediamine-n,n')-, [oc..."	"Cl[Pt]1(Cl)(Cl)(Cl)NC2CCCCC2N1"	0	NA	NA	1	1	"576793"	NA
"363812"	363812	"Tetraplatin"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])N[C@@H]2CCCC[C@H]2N1"	0	"A7"	""	9	4	"-1"	"62816982"
"363813"	363813	"platinum, tetrachloro(1,2-cyclohexanediamine-n,n')-, [oc..."	"Cl[Pt]1(Cl)(Cl)(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	"576795"	NA
"363916"	363916	"2,4-thiazolidinedione, 3-[(dimethylamino)methyl]-5-[1-[(..."	"CN(C)CN1C(=O)S\C(=C\2/C(=O)N(CN(C)C)c3ccccc23)\C1=O"	0	""	""	1	1	"3000988"	NA
"363951"	363951	"N-[(E)-1-quinolin-8-ylethylideneamino]azepane-1-carbothioamide"	"C\C(=N/NC(=S)N1CCCCCC1)\c2cccc3cccnc23"	0	""	""	2	2	"54601897"	NA
"363952"	363952	"4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide"	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3cccc4cccnc34"	0	""	""	2	1	"9554716"	NA
"363979"	363979	"active compound from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3[C@H]4CCC5Cc6nc7C[C@]8(C)C(CC[C@H]9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4CC(=O)[C@@]23CO[C@]1%13OC(C)(C)CC%13O"	0	NA	NA	10	9	"466261"	"112088569"
"363980"	363980	"active compound from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3[C@H]4CCC5Cc6nc7C[C@]8(C)C(CC[C@H]9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4(O)CC(=O)[C@@]23CO[C@]1%13OC(C)(C)CC%13O"	0	NA	NA	5	5	"466262"	NA
"363981"	363981	"from cephalodiscus gilchristi"	"CC1C(O)[C@@]2(OC[C@]34[C@@H](CC=C3[C@H]5CCC6Cc7nc8C[C@]9(C)C(CC[C@H]%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5(O)CC4=O)C2C)OC1(C)C"	0	""	""	1	1	"6711241"	NA
"363997"	363997	""	"OCCNCCNc1cccc2C(=O)c3c(NCCNCCO)cccc3C(=O)c12"	0	NA	NA	3	2	"576822"	NA
"363998"	363998	"anthracene-9,10-dione, 1,5-bis[3-[[(2-hydroxyethyl)amino..."	"OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12"	0	""	""	2	2	"5351330"	NA
"364163"	364163	"N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide"	"CC(=O)Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1"	0	""	""	2	1	"435113"	NA
"364170"	364170	"sergeolide,desacetyl"	"COC(=O)C12OCC34C(CC5C(C)C6=CC(=O)OC6=CC5(C)C3C(O)C1O)OC(=O)C(O)C24"	0	NA	NA	6	5	"576865"	NA
"364188"	364188	"4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole- 1,..."	"CN1CCN(CN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(CN7CCN(C)CC7)C6=O)C3C2=O)CC1"	0	""	""	1	1	"49861682"	NA
"364373"	364373	"3-hydroxyleptomycin b"	"CC\C(=C/C(C)C\C=C\C(=C\C(CO)C(=O)C(C)C(O)C(C)C\C(=C\C(=O)O)\C)\C)\C=C\C1OC(=O)C=CC1C"	0	NA	NA	4	2	"576894"	NA
"364432"	364432	"SarCNU"	"CN(CC(=O)N)C(=O)N(CCCl)N=O"	0	""	""	4	1	"100773"	"81965437"
"364433"	364433	"N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum"	"CC1=[N+]2NC(=S[Pt]2(Cl)(Cl)(Cl)N3CCCCC13)N4CC5CCC(CC5)C4"	0	""	""	2	2	"9578793"	NA
"364634"	364634	"CFHZNSBPDDMPQF-UHFFFAOYSA-N"	"c1ccc2c(c1)[nH]c3c2nc4sccn34"	0	""	""	1	1	"367303"	"60067405"
"364657"	364657	"[1,1'-biphenyl]-2-ol, 4'-chloro-5-[(7-chloro- 4-quinolin..."	"CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(c1O)c4ccc(Cl)cc4"	0	""	""	2	1	"54601565"	"93338115"
"364830"	364830	"Camptothecin Derivative"	"CCN(CC)CC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"462186"	NA
"365081"	365081	"IH1L3XQE7W"	"CC(=O)c1c(C)n(C)c2c3ccccc3nnc12"	0	""	""	1	1	"339250"	"82157888"
"365356"	365356	"Tetracenomycin C, amino-butyryl-"	"COC(=O)c1c(C)c2c(O)c3C(=O)C4(O)C(=O)C=C(OC)C(=C4C(=O)c3cc2cc1OC)OC(=O)CC(C)N"	0	NA	NA	1	1	"576948"	NA
"365360"	365360	"quinoline-4-amine, n,n'-[(piperazine-1,4-diyl)bis (propa..."	"COc1ccc2nccc(NCCCN3CCN(CCCNc4ccnc5ccc(OC)cc45)CC3)c2c1"	0	NA	NA	3	3	"576949"	NA
"365400"	365400	"(5Z)-2,9-dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium"	"COc1ccc2c(CCc3cc(OC)ccc3[N+](=[N+]2[O-])[O-])c1"	0	""	""	2	1	"135484514"	NA
"365712"	365712	"benzene, 1-bromo-2,3-dimethoxy-5-(2-nitroethenyl)-"	"COc1cc(\C=C\[N+](=O)[O-])cc(Br)c1OC"	0	""	""	1	1	"5858115"	"54291906"
"365793"	365793	"perezone"	"CC(CCC=C(C)C)C1=C(O)C(=O)C(=CC1=O)C"	0	""	""	2	2	"339385"	"13120666"
"365798"	365798	"Fostamatinib"	"Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1"	0	"Ds|Rs|PK:YK,SYK"	"Clinical trial"	2	2	"-1"	"10083246"
"366078"	366078	"N-Benzoyldeacetylthiocolchicine"	"COc1cc2CCC(NC(=O)c3ccccc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	6	2	"339411"	"63620473"
"366140"	366140	"Pyrazoloacridine"	"COc1ccc2Nc3c(ccc4c3c(nn4CCCN(C)C)c2c1)[N+](=O)[O-]"	0	"Db"	"Clinical trial"	8	2	"-1"	"99009219"
"366220"	366220	"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one"	"BrC1=C(Br)c2ccccc2C(=O)c3ccccc13"	0	""	""	1	1	"339483"	NA
"366241"	366241	"Ditercalinium dimethanesulfonate dimethanesulfonate"	"COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CC5)C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)cc4c3c2c1.CS(=O)(=O)O.CS(=O)(=O)O"	0	NA	NA	13	2	"577005"	NA
"366739"	366739	"chaetoglobosin a"	"CC1C\C=C\C2C3OC3(C)C(C)C4C(Cc5c[nH]c6ccccc56)NC(=O)C24C(=O)\C=C/C(=O)C(O)\C(=C\1)\C"	0	NA	NA	2	2	"577039"	NA
"367077"	367077	"5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine"	"CCOc1nc(N)nc(C)c1N=Nc2ccc(Cl)cc2"	0	""	""	1	1	"339620"	NA
"367084"	367084	"ethanaminium, n-[7-(diethylamino)-3h-phenoxazin-3-yliden..."	"CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC"	0	NA	NA	2	2	"577052"	"33203826"
"367089"	367089	"naphthol as-bi"	"COc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2O"	0	""	""	2	1	"71060"	"1237758"
"367413"	367413	"1h-pyrazolo[3,4-d]pyrimidine-3-carboximidamide, 4,5-dihy..."	"NC(=N)c1nn(C2OC(CO)C(O)C2O)c3N=CNC(=O)c13"	0	""	""	2	2	"135502367"	"90914480"
"367416"	367416	"MP2Y265TQ7"	"COc1ccc2Nc3nc4ccccc4nc3Sc2n1"	0	""	""	1	1	"339701"	"74396455"
"367428"	367428	"5-pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy..."	"COC1NC(=O)NC(=O)C1(F)C(=O)OC"	0	""	""	1	1	"339703"	"65905966"
"367480"	367480	"Maybridge1_004665"	"Clc1ccc(cc1)C(=O)Nc2cc(n[nH]2)c3ccccc3"	0	""	""	1	1	"339736"	NA
"368176"	368176	""	"CC1=[O][Ru]23([O]=C(C)CC(=[O]2)C)([O]=C(C)C1)[O]=C(C)C(C=O)C(=[O]3)C"	0	NA	NA	1	1	"577122"	"76790971"
"368252"	368252	"STK632730"	"COc1ccc(cc1OC)C(N2CCOCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	"339886"	NA
"368253"	368253	"1,3-benzodioxol-5-ol, 6-[1-piperidinyl(3,4,5-trimethoxyp..."	"COc1cc(cc(OC)c1OC)C(N2CCCCC2)c3cc4OCOc4cc3O"	0	""	""	2	1	"339887"	NA
"368390"	368390	"Brequinar"	"Cc1c(C(=O)O)c2cc(F)ccc2nc1c3ccc(cc3)c4ccccc4F"	0	"Ds|Rs"	""	17	11	"-1"	"96201886"
"368671"	368671	"Bruceanol E"	"CCCCCCCC\C=C\CC(=O)OC1C2C(=C)C(O)C3(O)OCC24C(CC5C(=CC(=O)C(O)C5(C)C34)C)OC1=O"	0	NA	NA	5	3	"577135"	NA
"368672"	368672	"Bruceanol E"	"CCCCC\C(=C\CC(=O)OC1C2C(=C)C(O)C3(O)OCC24C(CC5C(=CC(=O)C(O)C5(C)C34)C)OC1=O)\C"	0	""	""	7	5	"5458871"	NA
"368697"	368697	"benz[a]anthracene-1,7,12(12b-h)-trione, 2,3,4,4a-tetra- ..."	"CC1(O)CC2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)C2(O)C(=O)C1O"	0	""	""	5	5	"43854"	NA
"368891"	368891	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(CSc3ccccc3)c2"	0	NA	NA	1	1	"577158"	"87739400"
"369066"	369066	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine"	"[O-][N+](=O)c1cccc(c1)c2nc3ncccn3c2N=O"	0	""	""	1	1	"339983"	NA
"369067"	369067	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine"	"[O-][N+](=O)c1cccc(c1)c2nc3cnccn3c2N=O"	0	""	""	1	1	"339984"	NA
"369100"	369100	"Imiquimod"	"CC(C)Cn1cnc2c(N)nc3ccccc3c12"	0	"AM|TLR7|ImmuneResMod"	"FDA approved"	2	1	"-1"	"99011026"
"369289"	369289	"coumarin 340"	"FC(F)(F)C1=CC(=O)Oc2cc3NCCCc3cc12"	0	""	""	1	1	"100790"	"53518164"
"369310"	369310	""	"COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	"467326"	NA
"369327"	369327	"Elsamicin"	"COC1C(N)C(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C(O)C2(C)O)OC(C)C1O"	0	""	""	3	2	"5384876"	"97068309"
"369395"	369395	"10-aminocamptothecin"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	"TOP1"	""	2	2	"190763"	NA
"369397"	369397	"qinghaosu"	"CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4"	0	NA	NA	6	1	"577180"	"63968649"
"369504"	369504	"Dillapional"	"COc1c(OC)c(\C=C\C=O)cc2OCOc12"	0	""	""	1	1	"5458880"	"38971743"
"369937"	369937	"acetamide, n-[5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy..."	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1O)SC"	0	NA	NA	4	3	"577238"	"87424268"
"370284"	370284	"6-[(3,4,5-trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-be..."	"COc1cc(cc(OC)c1OC)C(N2CCCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	"340208"	"116409291"
"370463"	370463	"3-thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole"	"C1Cc2c(n[nH]c2c3cccs3)c4ccccc14"	0	""	""	2	2	"340251"	"52837613"
"370656"	370656	"imidazo[1,2-a]pyridinium, 2,2'-[(1,4-piperazinediyl)bis(..."	"C[n+]1c(cn2ccccc12)c3ccc(\C=N/N4CCN(CC4)\N=C\c5ccc(cc5)c6cn7ccccc7[n+]6C)cc3"	0	NA	NA	1	1	"577288"	NA
"370875"	370875	"D 15413"	"CCn1c(cc2c(Cl)cc(O)cc12)c3c(Cl)cc(O)cc3Cl"	0	""	""	1	1	"54995"	"83364038"
"371002"	371002	"podophyllotoxin deriv. (jurd)"	"COc1cc(cc(OC)c1OC)C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	2	2	"146614"	"116409257"
"371010"	371010	"6h-1,3-dioxolo[4,5-g][1]benzopyran, 7,8-dihydro-6,7- dim..."	"COc1cc(cc(OC)c1OC)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	2	"146609"	NA
"371168"	371168	"hydrazinecarboximidamide, 2-[(3,5-dibromo-2-hydroxypheny..."	"N\C(=N/O)\N\N=C\c1cc(Br)cc(Br)c1O"	0	NA	NA	2	2	"467868"	NA
"371189"	371189	"13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione"	"Clc1ccc(cc1)N2C3=C(\N=N\c4ccccc4)C(=Nc5ccccc5S3)N(C2=S)c6ccccn6"	0	""	""	1	1	"435511"	NA
"371488"	371488	"9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,..."	"CN(C)CC1CCC2=C(C(C3=C(CCC(CN(C)C)C3=O)O2)c4ccc(Cl)c(Cl)c4)C1=O"	0	NA	NA	2	2	"577336"	NA
"371722"	371722	"1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea"	"FC(F)(F)c1ccc(Cl)c(NC(=O)Nc2cccc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)c2)c1"	0	""	""	1	1	"340699"	NA
"371777"	371777	"Cyto9H5"	"Nc1ccccc1SC(C[N+](=O)[O-])c2ccc3OCOc3c2"	0	""	""	1	1	"340720"	NA
"371846"	371846	"NCIMech_000562"	"COc1ccc2c(CCc3c(n[nH]c23)c4n[nH]c5c4CCc6cc(OC)ccc56)c1"	0	""	""	1	1	"340765"	NA
"372074"	372074	"2-(5-(benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol"	"OC1=C(O)C(=N)OC1c2c[nH]c3ccc(OCc4ccccc4)cc23"	0	""	""	2	1	"340877"	NA
"372146"	372146	"1,3,5-triazine, 2-(1-methylethenyl)-2,4-diphenoxy-"	"CC(=C)c1nc(Oc2ccccc2)nc(Oc3ccccc3)n1"	0	""	""	4	2	"340916"	NA
"372155"	372155	"2-propenamide, n-[(cyanoamino)iminomethyl]-2-methyl-"	"CC(=C)C(=O)NC(=N)NC#N"	0	""	""	5	3	"135429904"	"7046959"
"372162"	372162	"chitosanbiguanide"	NA	0	NA	NA	2	1	"468264"	NA
"372208"	372208	"urdamycin a"	"CC1OC(CCC1O)OC23C(=O)CC(C)(O)CC2(O)C=CC4=C3C(=O)c5ccc(C6CC(OC7CCC(OC8CC(O)C(O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O"	0	NA	NA	1	1	"468274"	"98474216"
"372294"	372294	"7-(hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol"	"OC1=C2Nc3ccc(cc3N=C2OC1c4c[nH]c5ccc(COc6ccccc6)cc45)[N+](=O)[O-]"	0	""	""	1	1	"4066133"	NA
"372295"	372295	"7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one"	"OC1=C2Nc3ccc(cc3N=C2OC1c4ccc(cc4)C5OC6=Nc7cc(ccc7NC6=C5O)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"5086250"	NA
"372364"	372364	"15-[(11-Oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)sulfonyl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one"	"O=C1c2ccc(c3cccc(c4nc5ccccc5n14)c23)S(=O)(=O)c6ccc7C(=O)n8c(nc9ccccc89)c%10cccc6c7%10"	0	""	""	1	1	"341016"	NA
"372474"	372474	""	"[R]Cl.[R]C(=O)C(=C)CN1CCOCC1.c2ccccc2"	0	NA	NA	2	2	"577418"	NA
"372485"	372485	"17-ethoxy-10-thiocolchicine"	"CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	7	4	"468390"	"97043022"
"372486"	372486	"n-(butoxycarbonyl)deacetylthiocolchicine"	"CCCCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	7	2	"468391"	"97043044"
"372546"	372546	""	"Cl.[Pt].NC(=S)N\N=C\c1nccc2ccccc12"	0	NA	NA	2	2	"577437"	NA
"372547"	372547	""	"NC1=S[Zn]234(S=C(N)N[N+]2=CC5C6CCCCC6CCN35)N7CCC8CCCCC8C7C=[N+]4N1"	0	NA	NA	2	2	"577438"	NA
"372585"	372585	"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol"	"COc1ccc(cc1OC)C(NCCNC(c2ccc(OC)c(OC)c2)c3cc4OCOc4cc3O)c5cc6OCOc6cc5O"	0	""	""	2	2	"341099"	NA
"372848"	372848	"l-alanine, (dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrro..."	"CC(N)C(=O)OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C(C)N)C5=O)C2C1=O"	0	""	""	1	1	"435620"	NA
"372939"	372939	"NCI-372939"	"CCc1nc(N)nc(N)c1c2ccc(NCCN)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"3449946"	NA
"372944"	372944	"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(N3CCNCC3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"341263"	NA
"372950"	372950	"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)\N=C\N(C)C"	0	""	""	3	3	"341268"	NA
"373031"	373031	"n-formyldeacetylthiocolchicine"	"COc1cc2CCC(NC=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	NA	NA	8	2	"468637"	"2731239"
"373032"	373032	"N-(Vinyloxycarbonyl)deacetylthiocolchicine"	"COc1cc2CC[C@H](NC(=O)OC=C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	8	3	"341280"	"97043055"
"373045"	373045	"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate"	"CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)c2ccc(C)cc2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccc(C)cc4"	0	""	""	1	1	"341281"	NA
"373300"	373300	"[2-[(4-chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate"	"Cc1cc(Cl)ccc1NC(=O)NC(C)(C)COC(=O)Nc2cccc(Cl)c2"	0	""	""	1	1	"341374"	NA
"373355"	373355	"saframycin r"	"COC1=C(C)C(=O)C2=C([C@@H]3[C@@H]4Cc5c(OC(=O)CO)c(C)c(OC)c(O)c5[C@H](CNC(=O)C(=O)C)N4[C@@H](C#N)[C@H](C2)N3C)C1=O"	0	""	""	2	2	"341380"	NA
"373529"	373529	"4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3..."	"CN1CCN(CN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(CN7CCN(C)CC7)C6=O)C3C2=O)CC1"	0	""	""	2	1	"3246685"	NA
"373535"	373535	"N-(2,6-Dioxo-3-piperidinyl)benzamide"	"O=C(NC1CCC(=O)NC1=O)c2ccccc2"	0	""	""	1	1	"341427"	"91393021"
"373814"	373814	"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate"	"COC(=O)C1=C(C2OC1c3cc4ccccc4cc23)C(=O)OC"	0	""	""	2	2	"341502"	"85827970"
"373854"	373854	"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide"	"CCN1C(=NS(=O)(=O)c2ccccc12)Cl"	0	""	""	1	1	"198691"	"107089770"
"373911"	373911	"2-Chloro-6-methoxyquinoline-5,8-dione"	"COC1=CC(=O)c2nc(Cl)ccc2C1=O"	0	""	""	1	1	"341543"	"42065076"
"373965"	373965	"gulf compound, prodrug"	"NC(Cc1ccccc1)C(=O)OCN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(COC(=O)C(N)Cc7ccccc7)C6=O)C3C2=O"	0	""	""	1	1	"353257"	NA
"373980"	373980	"R 7371"	"Cc1c(oc2ccc3ccccc3c12)[N+](=O)[O-]"	0	""	""	1	1	"55508"	"86539675"
"373981"	373981	"r 7516"	"OCCc1c(oc2ccc3ccccc3c12)[N+](=O)[O-]"	0	""	""	2	2	"56909"	"95455020"
"374028"	374028	"Camptothecin Derivative"	"CCC1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCC3=C1C=C4N(Cc5cc6ccccc6nc45)C3=O"	0	"TOP1"	""	4	4	"-1"	NA
"374111"	374111	"7-imino-N,N-dimethylphenothiazin-3-amine"	"CN(C)c1ccc2N=C3C=CC(=N)C=C3Sc2c1"	0	""	""	1	1	"435683"	"93211804"
"374551"	374551	"Fenretinide"	"C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C"	0	"Ds"	"Clinical trial"	4	2	"-1"	"65646686"
"374898"	374898	"Magon"	"Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccccc4O)c2O)c(C)c1"	0	""	""	1	1	"100814"	"523671"
"374979"	374979	"Neuro_000210"	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC(=O)C)c1OC(=O)C)SC"	0	""	""	4	4	"435731"	NA
"374980"	374980	"acetamide, n-[2,3-bis(acetyloxy)-5,6,7,9-tetrahydro-1-me..."	"COc1c(OC(=O)C)c(OC(=O)C)cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c12)SC"	0	""	""	6	6	"435732"	NA
"374998"	374998	"1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ncccn3"	0	""	""	5	3	"9574395"	NA
"375086"	375086	"methanediamine, 1-(2,6-dichlorophenyl)-n,n'- bis(1,3,4-t..."	"Clc1cccc(Cl)c1C(Nc2nncs2)Nc3nncs3"	0	""	""	1	1	"341772"	NA
"375162"	375162	"imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dih..."	"C1CN=C(N\N=C\c2ccc(cc2)c3cn4cc(\C=N\NC5=NCCN5)ccc4n3)N1"	0	NA	NA	2	2	"577640"	NA
"375389"	375389	"9h-thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1cccc2Sc3ccc(O)cc3C(=O)c12"	0	""	""	1	1	"341818"	"86456317"
"375489"	375489	"forskolin"	"CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(C)(OC13C)C=C"	0	""	""	8	2	"47936"	"66575299"
"375501"	375501	"1-[7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6h-1,..."	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	2	"146604"	NA
"375505"	375505	"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol"	"COc1cccc(C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5)c1O"	0	""	""	2	2	"146599"	NA
"375575"	375575	"Cyclopentenyl Cytosine"	"NC1=NC(=O)N(C=C1)[C@@H]2C=C(CO)[C@@H](O)[C@H]2O"	0	""	""	19	8	"72828"	"90597221"
"375726"	375726	"Baccharinoid A-1 (busam)"	"CC(O)C1OCC(O)C(C)(CC(=O)OCC23CCC(=CC2OC4CC(OC(=O)\C=C\C=C\1)C3(C)C45CO5)C)OC(=O)C"	0	NA	NA	2	2	"577661"	"93633911"
"375985"	375985	"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol"	"CC1=CC(=O)Nc2cc3oc4ccccc4c3cc12"	0	""	""	2	2	"341872"	NA
"376111"	376111	"pancratium littorale"	NA	0	NA	NA	4	3	"469317"	NA
"376128"	376128	"Dolastatin 10"	"CC[C@@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@@H](OC)[C@H](C)C(=O)N[C@H](Cc2ccccc2)c3nccs3)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C"	0	"TUBB"	"Clinical trial"	10	4	"-1"	"110417884"
"376248"	376248	"Nordracorubin"	"COc1cc2OC3=CC(=O)C=C4OC(=CC(=C34)c2c5OC(CCc15)c6ccccc6)c7ccccc7"	0	""	""	1	1	"341882"	"35290223"
"376251"	376251	"carbamic acid, [5,6,7,9-tetrahydro-3-hydroxy-1,2-dimetho..."	"CCOC(=O)N[C@H]1CCc2cc(O)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	4	2	"341883"	NA
"376254"	376254	"indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl- 5-(methy..."	"COc1cc2[C@@H]3[C@H](N(C)C(=O)c2cc1OC)c4cc(OC)c(OS(=O)(=O)C)cc4C3=O"	0	NA	NA	3	3	"469353"	NA
"376265"	376265	"antineoplastic-376265"	"C\C(=N/NC(=S)N1CCN(CC1)C2CCCCCC2)\c3ccccn3"	0	""	""	5	4	"5351332"	NA
"376266"	376266	"1-piperazinethiocarboxylic acid, 4-(2-propynyl)- 2-[1-(2..."	"C\C(=N/NC(=S)N1CCN(CC#C)CC1)\c2ccccn2"	0	NA	NA	5	5	"469360"	NA
"376484"	376484	"3-pyrrolidinecarboxamide, n-(3,4-dichlorophenyl)-2,4-dio..."	"Clc1ccc(NC(=O)C2C(=O)CN(C2=O)c3ccccc3)cc1Cl"	0	""	""	1	1	"341959"	NA
"376598"	376598	"4,8-ethanopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3..."	"OCN1C(=O)C2C3CCC(C4C3C5C4C(=O)N(CO)C5=O)C2C1=O"	0	""	""	2	1	"341961"	NA
"376739"	376739	"5,12-naphthacenedione, 10-[(2,6-dideoxy-.alpha.-l-lyxo-h..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(O)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	3	3	"341996"	NA
"377174"	377174	"YNS772IK61"	"COC1=CC(=O)C(=CC1=O)C#C"	0	""	""	1	1	"342085"	"82511237"
"377396"	377396	"8-Quinolinyl 2,6-dichlorophenylcarbamate"	"Clc1cccc(Cl)c1NC(=O)Oc2cccc3cccnc23"	0	""	""	1	1	"342123"	NA
"377467"	377467	"benzofuran, 2-(4-chlorophenyl)-5-methoxy- 3-(4-methyl-1-..."	"COc1ccc2oc(c3ccc(Cl)cc3)c(N4CCN(C)CC4)c2c1"	0	""	""	2	1	"21144903"	NA
"377521"	377521	"2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one"	"COc1cc(cc(OC)c1OC)C2N3C(COC3=O)Cc4cc5OCOc5cc24"	0	""	""	2	2	"435851"	NA
"377686"	377686	"chlorinated cyclohexane der 4"	"CC1(Cl)CC(C)(\C=C\Cl)C(Cl)CC1Cl"	0	""	""	1	1	"5478047"	NA
"377852"	377852	"5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate"	"FC(F)(F)c1cccc(NC(=O)Oc2ccc(Cl)c3cccnc23)c1"	0	""	""	2	2	"342201"	NA
"378135"	378135	"juncusol deriv (compound 1)"	"COc1cc2CCc3ccccc3c2cc1C[N+](C)(C)CSc4ccccc4"	0	""	""	2	2	"24200489"	NA
"378695"	378695	"6h-pyrido[4,3-b]carbazolium, 11-[1-o-[(.alpha.-l- lyxofu..."	"Cc1c2cc[n+](C)cc2c(COC3OC(CO)C(O)C3O)c4c5ccccc5n(C)c14"	0	""	""	10	4	"435657"	NA
"378727"	378727	"from cephalodiscus gilchristi"	"CC1[C@@H]2C[C@@H]3O[C@@]34[C@H]5CCC6Cc7nc8C[C@]9(C)C(CC[C@H]%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5(O)CC(=O)[C@@]24CO[C@]1%14OC(C)(C)CC%14O"	0	""	""	1	1	"6711243"	NA
"378731"	378731	"from cephalodiscus gilchristi"	"C[C@@H]1[C@@H]2CC(O)c3c4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)c4cc(OC1%13OC(C)(C)C(C)C%13O)c23"	0	NA	NA	1	1	"469860"	NA
"378732"	378732	"from cephalodiscus gilchristi"	"C[C@@H]1[C@@H]2CC(O)c3c4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)c4cc(OC1%13OC(C)(C)CC%13O)c23"	0	NA	NA	1	1	"469861"	NA
"378734"	378734	"from cephalodiscus gilchristi"	"CC1[C@@H]2[C@H](O[C@]13CCC(C)(C)O3)C=C4C5CCC6Cc7nc8C[C@]9(C)C(CCC%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5C[C@H](O)[C@@]24CO"	0	""	""	4	4	"6711246"	NA
"378735"	378735	"from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3C4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4CC(=O)[C@@]23CO[C@@]1(O)C(O)CC(C)(C)O"	0	""	""	1	1	"6711247"	NA
"378736"	378736	"from cephalodiscus gilchristi"	"CC1[C@@]2(CCC(C)(C)O2)O[C@@H]3C=C4C5CCC6Cc7nc8C[C@]9(C)C(CCC%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5C[C@H](O)[C@@]4(C)[C@]13O"	0	NA	NA	5	5	"469865"	NA
"378842"	378842	""	"[R]CC(CC([R])C(=O)OCC(O)C1OC2OC(C)(C)OC2C1OC(=O)CCN3C=C(F)C(=O)NC3=O)C(=O)N"	0	NA	NA	1	1	"577872"	NA
"378881"	378881	"(E)-1-(3,4-dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride"	"CC(CN(C)C)C(=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	"14532213"	NA
"378896"	378896	""	"[R]CC(CC([R])C(=O)OCC(O)C1OC2OC(C)(C)OC2C1OC(=O)CCN3C=C(F)C(=O)NC3=O)C(=O)N"	0	NA	NA	1	1	"577891"	NA
"378901"	378901	"4'-I-Adriamycin"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(I)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	"24200508"	"83943833"
"378978"	378978	"Sipholenone-A"	"CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]3[C@@](C)(O)CC[C@H]4OC(C)(C)C(=O)CC[C@]34C"	0	""	""	1	1	"342375"	"78518748"
"379398"	379398	"SIEZLKYPPOEGKM-UHFFFAOYSA-N"	"CC1=CC(=O)Oc2cc(OCC(=C)Br)ccc12"	0	""	""	1	1	"342449"	"72478672"
"379399"	379399	"STK716556"	"CC1=CC(=O)Oc2cc(OCc3c(F)cccc3Cl)ccc12"	0	""	""	1	1	"342450"	NA
"379407"	379407	"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole"	"Cc1onc(c2c(F)cccc2Cl)c1c3oc(cn3)c4ccc(Cl)cc4"	0	""	""	1	1	"342458"	NA
"379468"	379468	"Q27183878"	"Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cn1"	0	""	""	1	1	"342499"	NA
"379507"	379507	""	"CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)CCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	1	1	"577925"	NA
"379546"	379546	"5-(4-tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide"	"CC(C)(C)c1ccc(cc1)c2nnc(SCc3ccc(Cl)cc3)n2c4cccc(c4)C(F)(F)F"	0	""	""	2	2	"342553"	NA
"379651"	379651	"2-(furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one"	"O=C1C=C(Nc2cc(nn12)c3occc3)c4ccccc4"	0	""	""	1	1	"342597"	NA
"379687"	379687	"l-proline, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,..."	"O=C(OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C6CCCN6)C5=O)C2C1=O)C7CCCN7"	0	""	""	2	1	"54607962"	NA
"379867"	379867	"SC-89018"	"[O-][N+](=O)c1ccc2OC(=O)C(=Cc2c1)NC(=O)c3cccs3"	0	""	""	1	1	"342620"	NA
"379880"	379880	"Q27183503"	"Cc1cc(Br)c(NC(=O)c2c(C)onc2c3c(Cl)cccc3Cl)c(Br)c1"	0	""	""	1	1	"342632"	NA
"379965"	379965	"(2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate"	"COc1cc2C(C)N(C)c3c(c(OC(=O)C)cc4cc(OC)c(OC)cc34)c2cc1OC"	0	""	""	2	1	"5191582"	"93772180"
"380212"	380212	"st-daae-1,4-(ii)"	"O=C1c2ccccc2C(=O)c3c(NCC4CO4)ccc(NCC5CO5)c13"	0	""	""	2	2	"100214"	"78146266"
"380271"	380271	"LHU96QSJ2E"	"O=C1SSc2ncccc12"	0	""	""	1	1	"342690"	"65282420"
"380482"	380482	""	"C[n+]1c(cn2ccsc12)c3ccc(\C=N\Nc4ccnc(N\N=C\c5ccc(cc5)c6cn7ccsc7[n+]6C)n4)cc3"	0	NA	NA	1	1	"577979"	NA
"380721"	380721	"eremantholide b"	"CCC(C)C1(O)OC2CC3(C)OC(=CC3=O)\C(=C/C4OC(=O)C1(C)C24)\C"	0	NA	NA	1	1	"577988"	"69883961"
"380725"	380725	"pyrrolo[2,1-b]thiazole-6,7-dimethanol, 5-(3,4-dichloro p..."	"CNC(=O)OCc1c(COC(=O)NC)c(c2ccc(Cl)c(Cl)c2)n3CCSc13"	0	""	""	3	3	"342837"	NA
"380803"	380803	"2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one"	"ON1C(=O)c2ccccc2N=C1c3ccc(Cl)cc3"	0	""	""	1	1	"342897"	"65772216"
"380804"	380804	"3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one"	"ON1C(=O)c2ccccc2N=C1c3cccc(c3)[N+](=O)[O-]"	0	""	""	2	1	"342898"	NA
"380856"	380856	"Acronycine, 2-nitro"	"COc1cc2OC(C)(C)C(=Cc2c3N(C)c4ccccc4C(=O)c13)[N+](=O)[O-]"	0	""	""	2	2	"342903"	"7095423"
"381578"	381578	"6h-1,3-dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-..."	"COc1cc(cc(OC)c1OC)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	"146631"	NA
"381586"	381586	"7,8-dihydro-6-hydroxy-7-methyl-8-(3,4,5-trimethoxyphenyl..."	"COc1cc(cc(OC)c1OC)C2C(C)C(O)Oc3cc4OCOc4cc23"	0	""	""	2	2	"146605"	NA
"381793"	381793	"N'-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine"	"Clc1ccc(NCNC2Nc3ccccc3N2)cc1Cl"	0	""	""	1	1	"343042"	NA
"381804"	381804	"2-(3,4-dichloro-2-isopropoxy-5-oxo-2,5-di-hydrofuran-2-y..."	"COC1=CC(=O)C(=CC1=O)C2(OC(C)C)OC(=O)C(=C2Cl)Cl"	0	""	""	1	1	"343052"	NA
"381810"	381810	"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine"	"Np1(Oc2ccc(F)cc2)np(N)(Oc3ccc(F)cc3)np(Oc4ccc(F)cc4)(Oc5ccc(F)cc5)n1"	0	""	""	1	1	"343057"	NA
"381811"	381811	"poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-[[3- (5..."	"COCCOC(=O)CCN1C=C(F)C(=O)NC1=O"	0	NA	NA	2	2	"578034"	NA
"381864"	381864	"piceatannol, 4,3',5'-trimethyl,1s0"	"COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1"	0	""	""	1	1	"5385086"	NA
"381866"	381866	"bafilomycin deriv"	"COC1\C=C\C=C(/C)\CC(C)C(O)C(C)\C=C(/C)\C=C(/OC)\C(=O)OC1C(C)C(O)C(C)C2(O)CC(O)C(C)C(O2)C(C)C"	0	NA	NA	3	2	"470677"	"88899552"
"381867"	381867	"bafilomycin antibiotic"	NA	0	NA	NA	4	2	"470678"	NA
"382000"	382000	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethy..."	"CN(C)CC(=C)C(=O)c1ccc(C)cc1C"	0	NA	NA	4	4	"578050"	NA
"382001"	382001	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(2,5-dimethy..."	"CN(C)CC(=C)C(=O)c1cc(C)ccc1C"	0	NA	NA	4	4	"578051"	NA
"382002"	382002	"2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride"	"CN(C)CC(=C)C(=O)c1ccccc1C"	0	""	""	2	2	"13958695"	NA
"382003"	382003	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(2-methoxy p..."	"COc1ccccc1C(=O)C(=C)CN(C)C"	0	NA	NA	3	3	"578053"	NA
"382005"	382005	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4,5- trim..."	"COc1cc(OC)c(cc1OC)C(=O)C(=C)CN(C)C"	0	""	""	3	3	"13958694"	NA
"382006"	382006	""	"CN(C)CC(=C)C(=O)c1ccc2OCOc2c1"	0	NA	NA	3	3	"578056"	NA
"382007"	382007	"2-propen-1-one, 1-(2-chlorophenyl)-2-[(dimethylamino) me..."	"CN(C)CC(=C)C(=O)c1ccccc1Cl"	0	""	""	2	2	"5351333"	NA
"382011"	382011	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hyd..."	"CN(C)CC(=C)C(=O)c1ccccc1"	0	""	""	3	3	"3063374"	NA
"382028"	382028	"Maxima isoflavone D"	"COc1ccc(cc1OC)C2=COc3c4OCOc4ccc3C2=O"	0	""	""	1	1	"343081"	"94413088"
"382032"	382032	"2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(N3CCOCC3)c(c2)N=[N+]=[N-]"	0	""	""	3	1	"3292208"	NA
"382034"	382034	"2,4-pyrimidinediamine, 6-ethyl-5-[4-(methylamino)- 3-nit..."	"CCc1nc(N)nc(N)c1c2ccc(NC)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"4602007"	NA
"382035"	382035	"2,4-pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl..."	"CCc1nc(N)nc(N)c1c2ccc(N(C)Cc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"72438"	"118344711"
"382046"	382046	"ZWX6M6AF6L"	"CCc1nc(N)nc(N)c1c2ccc(Cc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"343093"	NA
"382049"	382049	"2,4-pyrimidinediamine, 6-ethyl-5-[3-nitro- 4-[(2-phenyle..."	"CCc1nc(N)nc(N)c1c2ccc(NCCc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	"3795021"	NA
"382050"	382050	"M-Azidopyrimethamine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=[N+]=[N-]"	0	""	""	2	2	"343097"	NA
"382053"	382053	"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine"	"CCc1nc(N)nc(N)c1c2ccc3c(c2)nnn3CCc4ccccc4"	0	""	""	4	4	"343101"	NA
"382054"	382054	"1h-benzotriazolium, 6-(2,4-diamino-6-ethyl-5-pyrimidinyl..."	"CCc1nc(N)nc(N)c1c2ccc3n[n+](c4ccccc4)n(O)c3c2"	0	""	""	4	4	"135502406"	NA
"382103"	382103	"Gallicodazole"	"COC(=O)Nc1nc2c(OC)c(OC)c(OC)cc2[nH]1"	0	""	""	3	3	"343115"	NA
"382337"	382337	"cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid..."	"CC1=[N+]2NC(=S[Co]234(O[N+](=O)[O-])(S=C(N[N+]3=C(C)C5CCCCN45)N6CC7CCC(CC7)C6)N8CCCCC18)N9CC%10CCC(CC%10)C9"	0	NA	NA	1	1	"578102"	NA
"382386"	382386	"2,4-imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5- di..."	"O=C1NC(C(=O)N1CCCCCCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"343242"	NA
"382459"	382459	"antineoplastic-382459"	"Cn1c(\C=C/CO)c(CO)c2C(=O)C(=CC(=O)c12)N3CC3"	0	NA	NA	2	2	"470867"	NA
"382584"	382584	"3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Sc3ccccc23"	0	""	""	1	1	"343248"	NA
"382585"	382585	"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone"	"CCC1=C(C)N(N=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C(=O)C"	0	""	""	2	2	"343249"	"90140504"
"382761"	382761	"3,4-dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline"	"CC\C(=N/Nc1ccc(Cl)c(Cl)c1)\C=C\c2ccccc2"	0	""	""	1	1	"6244313"	NA
"382767"	382767	"(E)-4-bromo-4-methyl-1-phenylpent-1-en-3-one"	"CC(C)(Br)C(=O)\C=C\c1ccccc1"	0	""	""	2	2	"5944568"	NA
"382770"	382770	"(E)-4-bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one"	"COc1ccc(\C=C\C(=O)C(C)(C)Br)cc1"	0	""	""	1	1	"5798653"	NA
"382837"	382837	"4,11-diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 1..."	"CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)c4ccccc4"	0	""	""	1	1	"343412"	NA
"382936"	382936	"2,2-bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one"	"Nc1nnc2N=C(C(=O)n12)C3(Cc4ccccc4C3=O)C5=Nc6nnc(N)n6C5=O"	0	""	""	2	1	"135441703"	NA
"382988"	382988	"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol"	"CN(C)c1ccc(cc1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	"343521"	NA
"383031"	383031	"Rutacridone epoxide"	"CN1c2ccccc2C(=O)c3c(O)cc4OC(Cc4c13)C5(C)CO5"	0	""	""	3	3	"5281850"	"77996033"
"383336"	383336	"1h-indole-3-carbonitrile, 2-amino-5-(phenylthio)-"	"Nc1[nH]c2ccc(Sc3ccccc3)cc2c1C#N"	0	""	""	3	2	"146332"	NA
"383468"	383468	""	"CC1(CO)C(O)CCC2(C)C(C\C=C\3/C(O)COC3=O)C(=C)CCC12"	0	NA	NA	1	1	"471244"	NA
"383482"	383482	"goniothalenol"	"OC1C2OC(=O)C=CC2OC1c3ccccc3"	0	NA	NA	6	2	"471257"	NA
"400008"	400008	"antineoplastic-400008"	"Oc1ccc(cc1[N+](=O)[O-])[As](Br)c2ccc(O)c(c2)[N+](=O)[O-]"	0	""	""	2	2	"343613"	"7464666"
"400078"	400078	""	"[R][N+](=O)[O-].ClC1=C(N2CC2)C(=O)c3ccccc3C1=O"	0	NA	NA	1	1	"578152"	NA
"400085"	400085	"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	"O=C1C=C(NC2=C1CCCC2)c3ccccc3"	0	""	""	1	1	"343668"	"83842175"
"400245"	400245	"Chimaphilin"	"CC1=CC(=O)c2ccc(C)cc2C1=O"	0	""	""	1	1	"101211"	"482702"
"400492"	400492	""	"CN(C)CCC(C#N)(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	"578248"	"7475721"
"400529"	400529	"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol"	"CC1=C(C)Cc2c(O)ccc(O)c2C1"	0	""	""	1	1	"343914"	"7475969"
"400594"	400594	"(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron"	"CC[n+]1oc(C(=O)c2ccc(Cl)cc2)c(c3ccccc3)c1c4ccccc4.Cl[Fe](Cl)(Cl)Cl"	0	""	""	1	1	"436246"	NA
"400607"	400607	"Phenazine, 2-chloro-, 5,10-dioxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3cc(Cl)ccc13"	0	""	""	1	1	"343972"	"303797"
"400655"	400655	"N-[(Z)-(3-ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline"	"CCOC1=C\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\CCC1"	0	""	""	1	1	"5978780"	"7467176"
"400717"	400717	"1h-1,4-diazepine, 1-(p-bromo-.alpha.-phenylbenzyl)hexahy..."	"CN1CCCN(CC1)C(c2ccccc2)c3ccc(Br)cc3"	0	""	""	1	1	"24200713"	"7505682"
"400770"	400770	"Q27195907"	"Oc1ccc(cc1)c2ccc(cc2)C(=O)c3ccccc3"	0	""	""	2	2	"344075"	"5623461"
"400806"	400806	"1,3-propanediamine, n,n'-bis(2-cyclohexylethyl)-n,n'-dim..."	"CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2"	0	""	""	2	2	"24200736"	NA
"400905"	400905	"4-(Oxiran-2-yl)-2-phenylquinoline"	"C1OC1c2cc(nc3ccccc23)c4ccccc4"	0	""	""	1	1	"344157"	NA
"400938"	400938	"Hit compound, 9"	"Cc1ccc(cc1)N=Nc2c(O)ccc3[nH]nnc23"	0	""	""	1	1	"135441716"	"7467289"
"400944"	400944	"5,6-Quinolinedione"	"O=C1C=Cc2ncccc2C1=O"	0	""	""	2	2	"344174"	"7467336"
"400978"	400978	"Illudin M"	"CC1=C2[C@@H](O)C(C)(C)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	7	3	"471980"	"1146049"
"400979"	400979	"Illudin S"	"CC1=C2[C@@H](O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	3	2	"471981"	"1149991"
"400995"	400995	"2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol"	"CCN(CC)CC(O)C1CCC(CC1)c2ccccc2"	0	""	""	1	1	"344209"	NA
"401005"	401005	"pleurotine"	"CC1COC2C3C4C(CCC14)CC5C3C(OC5=O)C6=C2C(=O)C=CC6=O"	0	NA	NA	2	1	"472002"	"1404235"
"401030"	401030	"pyreno[2,1-b]pyridine"	"c1cnc2cc3ccc4cccc5ccc(c2c1)c3c45"	0	""	""	1	1	"344235"	"189899"
"401044"	401044	"N-[2-oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide"	"O=C(CNS(=O)(=O)Cc1ccccc1)NNc2ccccc2"	0	""	""	2	2	"344245"	"7475185"
"401077"	401077	"2-isoindolineacetic acid, .alpha.-(3-indolylmethyl)-1,3-..."	"OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)c4ccccc4C3=O"	0	""	""	1	1	"344265"	"32675711"
"401130"	401130	"1,2-naphthoquinone, 3,7-dimethyl-"	"CC1=Cc2ccc(C)cc2C(=O)C1=O"	0	""	""	2	2	"344295"	"7475016"
"401166"	401166	"4-Phenyliminonaphthalen-1-one"	"O=C1C=C\C(=N\c2ccccc2)\c3ccccc13"	0	""	""	1	1	"344314"	"7512494"
"401210"	401210	"4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol"	"Oc1ccc(c2ccccc12)C(O)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"344348"	NA
"401268"	401268	"psoralen quinone"	"O=C1OC2=C(C=C1)C(=O)c3ccoc3C2=O"	0	""	""	2	2	"68083"	"483363"
"401288"	401288	"Isopimpinellin"	"COc1c2OC(=O)C=Cc2c(OC)c3ccoc13"	0	NA	NA	1	1	"472244"	"482279"
"401414"	401414	""	"C[N+]1(C)CCC(CC1)(C#N)c2ccccc2"	0	NA	NA	1	1	"578476"	"7476279"
"401575"	401575	"benzimidazole, 5,6-dichloro-1-.beta.-d-ribofuranosyl- (8ci)"	"OCC1OC(C(O)C1O)n2cnc3cc(Cl)c(Cl)cc23"	0	NA	NA	2	1	"472455"	"53850"
"401586"	401586	"Hexyl 2-amino-3-(4-methoxyphenyl)propanoate;hydrochloride"	"CCCCCCOC(=O)C(N)Cc1ccc(OC)cc1"	0	""	""	1	1	"24200836"	"7507611"
"401699"	401699	"benzene, 1-(iodomethyl)-4-nitro- (9ci)"	"[O-][N+](=O)c1ccc(CI)cc1"	0	""	""	1	1	"76598"	"3145866"
"402083"	402083	"5-(Phenyldiazenyl)tropolone"	"OC1=CC=C(C=CC1=O)N=Nc2ccccc2"	0	""	""	1	1	"344925"	"3144556"
"402085"	402085	"5-[(4-Nitrophenyl)hydrazinylidene]cyclohepta-3,6-diene-1,2-dione"	"OC1=CC=C(C=CC1=O)N=Nc2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	1	1	"472884"	"33244132"
"402099"	402099	"2-Chloro-5-[(E)-phenyldiazenyl]cyclohepta-2,4,6-trien-1-one"	"ClC1=CC=C(C=CC1=O)N=Nc2ccccc2"	0	NA	NA	1	1	"472889"	"19240654"
"402109"	402109	"2h,9h-benzo[1,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,..."	"C(N1COc2c(C1)ccc3CN(Cc4ccccc4)COc23)c5ccccc5"	0	""	""	2	2	"344936"	NA
"402209"	402209	"1(2h)-naphthalenone, 2,2-dibromo-3,4-dihydro-"	"BrC1(Br)CCc2ccccc2C1=O"	0	""	""	2	2	"345009"	"51114706"
"402451"	402451	"quicifal"	"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O"	0	""	""	1	1	"54676825"	"137666"
"402471"	402471	"wln:  t56 bn dsj c1u1r dn1&1"	"CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1"	0	""	""	1	1	"5378081"	"1628586"
"402562"	402562	"bext (van)"	"CCOC(=S)SSSC(=S)OCC"	0	""	""	1	1	"15815"	"1851770"
"402590"	402590	"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol"	"Oc1ccc(N=Nc2ccc(Br)cc2)c(O)c1"	0	""	""	1	1	"345174"	"32919009"
"402717"	402717	"N-(3,5-dibenzhydryl-2-methylphenyl)acetamide"	"CC(=O)Nc1cc(cc(C(c2ccccc2)c3ccccc3)c1C)C(c4ccccc4)c5ccccc5"	0	""	""	1	1	"345248"	NA
"402867"	402867	"Antineoplastic-402867"	"Cc1ccc(N)cc1\[As]=[As]\c2cc(N)ccc2C"	0	""	""	2	2	"24201040"	NA
"402910"	402910	"Iodinin"	"Oc1cccc2c1[n+]([O-])c3cccc(O)c3[n+]2[O-]"	0	""	""	1	1	"135441735"	"68815"
"402959"	402959	"phenazinium, 3-[(5,10-dihydro-7-iodo-5-phenyl-3-phenazin..."	"Ic1ccc2Nc3ccc(Nc4ccc5nc6ccc(I)cc6[n+](c7ccccc7)c5c4)cc3N(c8ccccc8)c2c1"	0	NA	NA	1	1	"578891"	NA
"403144"	403144	"colchicamid"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)N"	0	""	""	2	2	"18397"	"3123895"
"403148"	403148	"anthricin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24"	0	""	""	7	4	"345501"	"19186357"
"403163"	403163	"[8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride"	"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(OC(=O)C[n+]4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	"24201072"	NA
"403169"	403169	"Acronine"	"COc1cc2OC(C)(C)C=Cc2c3N(C)c4ccccc4C(=O)c13"	0	""	""	1	1	"345512"	"7008426"
"403170"	403170	""	"[R]O.[R]OC.CC(=O)NC1CCc2ccccc2C3=CC=C(N)C(=O)C=C13"	0	NA	NA	5	4	"578905"	NA
"403186"	403186	"Stk521919"	"[O-][N+](=O)c1ccc(cc1)C(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	""	""	1	1	"345521"	"7501919"
"403376"	403376	"2-(4-Isothiocyanatophenyl)sulfanylacetic acid"	"OC(=O)CSc1ccc(cc1)N=C=S"	0	""	""	1	1	"345648"	"7501986"
"403468"	403468	"HYXALBNMTPMXOQ-UHFFFAOYSA-N"	"COC(C(O)CO)C(O)C(O)C(=O)NNc1ccccc1"	0	""	""	1	1	"345720"	"7404333"
"403529"	403529	"benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylene..."	"COc1cc(cc(OC)c1OC)C(=O)c2cc3OCOc3cc2C"	0	""	""	2	2	"345759"	NA
"403532"	403532	"pinacyanol"	"CCN1\C(=C\C=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	NA	NA	2	2	"578968"	"605914"
"403572"	403572	"p-Bromophenacyl benzoate"	"Brc1ccc(cc1)C(=O)COC(=O)c2ccccc2"	0	""	""	1	1	"345792"	"7506129"
"403734"	403734	"acetic acid, (amidinothio)-"	"NC(=N)SCC(=O)O"	0	""	""	1	1	"81899"	"7404504"
"403801"	403801	"1-Bis(4-chlorophenoxy)phosphorylaziridine"	"Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)N3CC3)cc1"	0	""	""	1	1	"345885"	NA
"403818"	403818	""	"O=C1SS\C(=N/c2ccccc2)\N1c3ccccc3"	0	NA	NA	1	1	"578993"	NA
"403831"	403831	"9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride"	"COc1ccc2cc3c4cc5OCOc5cc4cc[n+]3cc2c1OC"	0	""	""	2	2	"54607904"	"55971023"
"403856"	403856	"terpin (van)"	"CC(C)(O)C1CCC(C)(O)CC1"	0	NA	NA	1	1	"474118"	"80535"
"404027"	404027	"1,2-Dinitroso-1,2-dihydroacenaphthylene"	"O=NC1C(N=O)c2cccc3cccc1c23"	0	""	""	1	1	"346024"	NA
"404186"	404186	"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate"	"CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3N"	0	""	""	1	1	"346130"	NA
"404241"	404241	"ara-a"	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	6	3	"474469"	"5536174"
"404687"	404687	"3-nitro-1,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene"	"[O-][N+](=O)c1ccc2nnnn2c1"	0	""	""	1	1	"346452"	"35235735"
"404895"	404895	"[2-[2-(2-Boronophenyl)ethynyl]phenyl]boronic acid"	"OB(O)c1ccccc1C#Cc2ccccc2B(O)O"	0	""	""	1	1	"346619"	NA
"405029"	405029	"3,4-dichloro-N'-phenylbenzohydrazide"	"Clc1ccc(cc1Cl)C(=O)NNc2ccccc2"	0	""	""	2	2	"346727"	"7497134"
"405157"	405157	"(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	"O\N=C\1/C=C\C(=C(/C#N)\c2ccccc2)\C=C1Cl"	0	""	""	1	1	"54611238"	"958678"
"405158"	405158	"2,5-cyclohexadiene-.delta.1,.alpha.-acetonitrile, .alpha..."	"ON=C1C=CC(=C(C#N)c2ccc(Cl)cc2)C=C1"	0	""	""	1	1	"346832"	"958112"
"405159"	405159	"2,5-cyclohexadiene-.delta.1,.alpha.-acetonitrile, 4-oxo-..."	"ON=C1C=CC(=C(C#N)c2ccccc2)C=C1"	0	""	""	2	2	"346833"	"888391"
"405166"	405166	"Cyto9E5"	"COc1ccc(cc1)C(=C2C=CC(=NO)C=C2)C#N"	0	""	""	1	1	"346838"	"3122392"
"405646"	405646	""	"[R]Cl.[R]Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-].CC2CCCCC2"	0	NA	NA	1	1	"579193"	NA
"405647"	405647	"Scopoletin"	"COc1cc2C=CC(=O)Oc2cc1O"	0	""	""	7	2	"5280460"	"92615"
"405944"	405944	""	"OCC1OC(OCC(O)C(O)C(O)\C(=N\Nc2ccccc2)\C=N\Nc3ccccc3)C(O)C(O)C1O"	0	NA	NA	1	1	"475885"	"4746183"
"405962"	405962	"Maybridge3_002827"	"O=C1Nc2ccccc2C1Cc3ccccc3"	0	""	""	1	1	"347328"	"7511082"
"406034"	406034	"chelidonine"	"CN1Cc2c3OCOc3ccc2[C@@H]4[C@H](O)Cc5cc6OCOc6cc5[C@H]14"	0	NA	NA	2	2	"579248"	"4312316"
"406042"	406042	"Allocolchicine"	"COC(=O)c1ccc2c(c1)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	""	10	5	"347381"	"641281"
"406159"	406159	"5-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-1,3-benzodioxole"	"[O-][N+](=O)c1ccc(\C=C\c2ccc3OCOc3c2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"54612568"	NA
"406352"	406352	"N,O-Diacetyljervine"	"CC1CC2OC3(CCC4C5CC=C6CC(CCC6(C)C5C(=O)C4=C3C)OC(=O)C)C(C)C2N(C1)C(=O)C"	0	""	""	1	1	"347578"	"7622062"
"406472"	406472	"triton x"	"CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1"	0	NA	NA	1	1	"476378"	"9002931"
"406637"	406637	"(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile"	"COc1ccc(cc1)\C(=C\2/C=C\C(=N\O)\c3ccccc23)\C#N"	0	""	""	2	2	"6514025"	"741877"
"406666"	406666	"NLEOEXCPIKOHJB-UHFFFAOYSA-N"	"O=S(=O)(NNc1ccccc1)c2ccccc2"	0	""	""	1	1	"347804"	"6596696"
"407135"	407135	"tx-045816"	"Oc1ccc(cc1)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)cc5"	0	""	""	3	3	"348092"	"5627394"
"407260"	407260	"4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde"	"Oc1c(C=O)c(nc2ccccc12)c3ccccc3"	0	""	""	1	1	"348143"	"7509162"
"407286"	407286	"lagistase"	"Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34"	0	NA	NA	2	1	"477072"	"476664"
"407299"	407299	"sempervirine, nitrate, dihydrate"	"O[N+](=O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1"	0	NA	NA	1	1	"579318"	"17994159"
"407303"	407303	"cosmetin"	"OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O"	0	NA	NA	1	1	"477084"	"578745"
"407307"	407307	"Fauwolscine, hydrochloride"	"COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12"	0	NA	NA	1	1	"579320"	"6211321"
"407335"	407335	"Neuro_000222"	"CC(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	5	4	"348175"	NA
"407356"	407356	"4-[(E)-2-benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline"	"CN(C)c1ccc(\C=C\c2ccnc3ccc4ccccc4c23)cc1"	0	""	""	1	1	"5904653"	"7498182"
"407396"	407396	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"579334"	"426799"
"407613"	407613	"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone"	"O=C1CC2C(CCc3ccccc23)c4ccccc14"	0	""	""	1	1	"348345"	"7496051"
"407806"	407806	"echujetin"	"C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5"	0	NA	NA	2	2	"477480"	"143624"
"407807"	407807	"Gitoxigenin"	"C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5"	0	NA	NA	2	2	"477481"	"545266"
"407808"	407808	"korglykon"	"CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O"	0	NA	NA	2	1	"477482"	"508758"
"407809"	407809	"uzarin"	"CC12CCC(CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O"	0	""	""	2	2	"348483"	"20231816"
"407820"	407820	"(2-amino-2-oxoethyl) N,N-dimethylcarbamodithioate"	"CN(C)C(=S)SCC(=O)N"	0	""	""	1	1	"348488"	"816751"
"407959"	407959	"Allylhydroquinone"	"Oc1ccc(O)c(CC=C)c1"	0	NA	NA	1	1	"477622"	"5721211"
"408050"	408050	""	"CC(C)OC(=O)NNc1cc(Cl)ccc1Cl"	0	NA	NA	1	1	"477709"	"6941919"
"408090"	408090	""	"Nc1nc(S)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1"	0	NA	NA	1	1	"477740"	"15867024"
"408120"	408120	"Emodin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1"	0	NA	NA	2	1	"477762"	"518821"
"408169"	408169	""	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"579404"	"7621887"
"408170"	408170	"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;tin"	"[Sn+2].COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"54611128"	"7596772"
"408171"	408171	"Zinc;2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"54607968"	"7596103"
"408181"	408181	"ACM35283080"	"CCOC(=O)C#Cc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"348719"	"35283080"
"408191"	408191	"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one"	"Cc1ccc2ccc3ccc4ccccc4c3c2c1.[O-][N+](=O)c5ccc6c(c5)C(=O)c7cc(cc(c67)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"348728"	"17033680"
"408200"	408200	""	"Oc1ccccc1C(=O)NNC(=O)c2ccccc2O"	0	NA	NA	2	2	"477835"	"23647781"
"408383"	408383	"N-[7-(2,5-dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccc2c(Cc3cc(ccc23)N4C(=O)C=CC4=O)c1"	0	""	""	2	2	"348883"	NA
"408400"	408400	""	"CN(C)c1ccc(\C=C\c2ccnc3ccccc23)cc1N"	0	NA	NA	1	1	"478030"	"796576"
"408726"	408726	"2-Formamido-9-fluorenone"	"O=CNc1ccc2c3ccccc3C(=O)c2c1"	0	""	""	1	1	"349152"	NA
"409304"	409304	"8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile"	"COc1ccc2c(c1)[n+]([O-])c3cc(ccc3[n+]2[O-])C#N"	0	""	""	1	1	"349513"	NA
"409417"	409417	"LS-17699"	"CN(C)c1ccc2nc3ccc(cc3[o+]c2c1)N(C)C"	0	""	""	1	1	"209687"	"20161551"
"409663"	409663	"Ergocristine, dihydro-"	"CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O"	0	""	""	1	1	"3065"	NA
"409664"	409664	"berbamine"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6CN(C)Cc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	""	""	1	1	"437172"	NA
"409749"	409749	""	"[O-][N+](=O)c1ccc(cc1)C2OC2C(=O)c3ccccc3"	0	NA	NA	1	1	"479173"	"5633363"
"409962"	409962	"Carmustine"	"ClCCNC(=O)N(CCCl)N=O"	0	"A7|AlkAg"	"FDA approved"	136	48	"-1"	"154938"
"510656"	510656	"benzonitrile, 2-amino-3,5-dinitro- (9ci)"	"Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N"	0	""	""	1	1	"89765"	"22603538"
"512569"	512569	"wln: t5o-sn-stj b4 b4"	"CCCC[Sn]1(CCCC)OCCS1"	0	""	""	2	1	"16683030"	"27371955"
"516382"	516382	".beta.-hydromuconamide"	"NC(=O)C\C=C\CC(=O)N"	0	NA	NA	1	1	"480349"	"29221236"
"519153"	519153	"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole"	"Cc1nc(Sc2nc3ccc(cc3s2)[N+](=O)[O-])sc1C"	0	""	""	1	1	"351151"	NA
"520114"	520114	"STK347168"	"OC(=O)CNc1ccc(Cl)c(Cl)c1"	0	""	""	1	1	"351250"	"65051174"
"521586"	521586	"5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione"	"O=C1NC=C(\C=N\Nc2ccccc2)C(=O)N1"	0	""	""	1	1	"135455281"	"14859928"
"521777"	521777	"elatericin b"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	10	3	"481071"	"2222073"
"522958"	522958	"4(3h)-quinazolinone, 3-hydroxy-2-phenyl-"	"ON1C(=O)c2ccccc2N=C1c3ccccc3"	0	""	""	1	1	"351739"	"5319722"
"524442"	524442	"6-Methyl-2-aza-13-azoniapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3(8),4,6,9,11,14,16,18,20-decaene;iodide"	"Cc1ccc2c(ccc3c[n+]4c5ccccc5ccc4n23)c1"	0	""	""	1	1	"24201701"	"5485847"
"525040"	525040	"tecto"	"c1ccc2[nH]c(nc2c1)c3cscn3"	0	NA	NA	1	1	"481912"	"148798"
"525118"	525118	"ALBB-026253"	"[O-][N+](=O)c1cc(CCl)ccc1CCl"	0	""	""	2	2	"352121"	"16255508"
"525661"	525661	"flammulin"	NA	0	NA	NA	1	1	"482125"	NA
"526333"	526333	"2,5-cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-ox..."	"CC(=O)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1"	0	""	""	2	2	"352429"	"735488"
"526417"	526417	"echinomycin"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c3cnc4ccccc4n3)NC(=O)c5cnc6ccccc6n5"	0	NA	NA	31	8	"580231"	"512641"
"526598"	526598	"Mithramycin"	"[Mg+2].CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	"Db|Rs"	"FDA approved"	3	2	"-1"	"62345817"
"526645"	526645	"2'-deoxy-2'-fluorouridine"	"OCC1OC(C(F)C1O)N2C=CC(=O)NC2=O"	0	NA	NA	2	1	"482360"	"784714"
"526671"	526671	"2,5-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline"	"Clc1ccc(Cl)c(N\N=C\c2c[nH]c3ccccc23)c1"	0	""	""	1	1	"135455348"	"92428701"
"527017"	527017	"Amphotericin B"	"C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](OC3OC(C)C(O)C(N)C3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O"	0	""	"FDA approved"	5	2	"-1"	"1397893"
"527310"	527310	"[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate"	"Clc1ccc(CSC#N)cc1CSC#N"	0	""	""	2	2	"352645"	"93262830"
"527347"	527347	"picolinealdehyde-2-quinolylhydrazone"	"N1\C(=N/N=C/c2ccccn2)\C=Cc3ccccc13"	0	NA	NA	2	1	"482557"	"7385991"
"528004"	528004	"leurosine sulfate"	"CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C[C@@H](C3)[C@H]1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)[C@H]8[C@](O)([C@H](OC(=O)C)[C@]9(CC)C=CCN%10CC[C@]78[C@H]9%10)C(=O)OC"	0	NA	NA	2	2	"482734"	"23360921"
"528399"	528399	"spermidine hydrochloride"	"NCCCCNCCCN"	0	NA	NA	1	1	"580385"	"334509"
"529108"	529108	"4-Fluoro-D,L-tryptophan"	"NC(Cc1c[nH]c2cccc(F)c12)C(=O)O"	0	""	""	2	1	"101198"	"25631178"
"529180"	529180	"ara-fc"	"NC1=NC(=O)N(C=C1F)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	"482920"	"4298106"
"529432"	529432	"2'-deoxy-2'-fluorocytidine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2F"	0	NA	NA	2	2	"482965"	"10212201"
"529469"	529469	"alanosine"	"NC(CN(O)N=O)C(=O)O"	0	NA	NA	2	2	"482981"	"5854933"
"529861"	529861	"chlorasquin"	"Nc1nc(N)c2c(Cl)c(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	"483027"	"18921738"
"600018"	600018	"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate"	"CC(C)C(O)(C(C)O)C(=O)OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C(O)(C(C)C)C(C)O)C5=O)C2C1=O"	0	""	""	1	1	"353025"	NA
"600023"	600023	"6h-1,3-dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,..."	"COc1cc(cc(OC)c1OC)C2C(C)C(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	"146610"	NA
"600032"	600032	"b8173373k297"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O"	0	""	""	10	4	"5458993"	NA
"600060"	600060	"hydrazinecarbodithioic acid, [(6-methyl-2-pyridinyl) eth..."	"CSC(=S)N\N=C(/C)\c1cccc(C)n1"	0	""	""	3	2	"9574347"	NA
"600166"	600166	"benzo[1,2-b:3,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,..."	"COC(=O)c1c(O)c2CCC(C)(C)Oc2c3CCC(C)(C)Oc13"	0	""	""	1	1	"353071"	NA
"600167"	600167	"diazene, hydroxy(5-phenyl-2-pyridinyl)-, sodium salt"	"[Na+].ON=Nc1ccc(cn1)c2ccccc2"	0	NA	NA	2	2	"483088"	NA
"600220"	600220	"benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-(4..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"6711254"	NA
"600221"	600221	".beta.-phenylalanine, n-benzoyl-2-[[(2-carboxyethyl) car..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"54608019"	NA
"600222"	600222	"Benzenepropanoic acid"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)CCC(=O)O"	0	"TUBB"	""	2	2	"6711255"	NA
"600223"	600223	"benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-(4..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)CCC(=O)O"	0	""	""	2	2	"54608020"	NA
"600285"	600285	"6,7-dihydroxy-4-methoxyisoflavan"	"COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2"	0	""	""	6	4	"156398"	NA
"600286"	600286	"6,7-Dihydroxy-4'-methylisoflavan"	"Cc1ccc(cc1)C2COc3cc(O)c(O)cc3C2"	0	""	""	6	4	"353126"	NA
"600287"	600287	"6,7-Diacetoxy-4'-methoxyisoflavan"	"COc1ccc(cc1)C2COc3cc(OC(=O)C)c(OC(=O)C)cc3C2"	0	""	""	6	5	"353127"	NA
"600288"	600288	"6,7-Diacetoxy-4'-methylisoflavan"	"CC(=O)Oc1cc2CC(COc2cc1OC(=O)C)c3ccc(C)cc3"	0	""	""	6	2	"353128"	NA
"600289"	600289	"6,7-Diacetoxyisoflavan"	"CC(=O)Oc1cc2CC(COc2cc1OC(=O)C)c3ccccc3"	0	""	""	6	5	"353129"	NA
"600290"	600290	"4',6,7-Triacetoxyisoflavan"	"CC(=O)Oc1ccc(cc1)C2COc3cc(OC(=O)C)c(OC(=O)C)cc3C2"	0	""	""	6	2	"353130"	NA
"600291"	600291	"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan"	"COc1ccc(cc1OC)C2COc3c(C2)ccc(O)c3C"	0	""	""	6	2	"353131"	NA
"600292"	600292	"3-pyridinecarboxamide, 6-(hydroxyazo)-, sodium salt"	"[Na+].NC(=O)c1ccc(N=NO)nc1"	0	NA	NA	2	1	"483151"	NA
"600301"	600301	""	"[Cl-][Pt+4]([Cl-])([Cl-])([Cl-])(NC[Si](C)(C)C)NC[Si](C)(C)C"	0	NA	NA	1	1	"580470"	NA
"600391"	600391	"antibiotic 2-79-a(5)"	NA	0	NA	NA	2	2	"483160"	NA
"600392"	600392	"antibiotic mixture b-1625 fa2 & fa3"	NA	0	NA	NA	2	2	"483161"	NA
"600472"	600472	"Picodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc[nH]3"	0	NA	NA	2	2	"483177"	NA
"600473"	600473	"2h-1,3,5-thiadiazino[3,2-a]benzimidazol-2,4(3h)-dithione..."	"CN1C(=S)Sc2nc3ccccc3n2C1=S"	0	""	""	1	1	"353156"	NA
"600586"	600586	"Candidine"	"O=C1N2C(=Nc3ccccc13)\C(=C\4/Nc5ccccc5C4=O)\c6ccccc26"	0	""	""	2	1	"5320815"	NA
"600681"	600681	"(6aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid"	"CCCCCn1cc2C[C@@H]3C(C=C(C)CN3C)c4cccc1c24.Cc5ccc(cc5)C(=O)OC(C(OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O"	0	""	""	6	2	"353191"	NA
"600684"	600684	"2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide"	"CC(C)c1ccc2N=C3C=CC(=CN3C(=O)c2c1)C(=O)NCCN4CCN(CC4)c5ccccc5"	0	""	""	1	1	"353192"	NA
"600758"	600758	"9-[(5-Nitro-2-pyridyl)sulfanyl]acridine"	"[O-][N+](=O)c1ccc(Sc2c3ccccc3nc4ccccc24)nc1"	0	""	""	2	2	"353206"	NA
"600759"	600759	"diazene, hydroxy[5-[(2-naphthalenyl)thio]-2-pyridinyl]-,..."	"[Na+].ON=Nc1ccc(Sc2ccc3ccccc3c2)cn1"	0	NA	NA	1	1	"483232"	NA
"600768"	600768	"ChemDivAM_001114"	"Cc1ccc2N=C(CC(=O)Nc2c1)c3ccccc3"	0	""	""	1	1	"353213"	NA
"600882"	600882	"1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-"	"CN(C)c1ccc(cc1)\N=C(/C)\c2ccccc2"	0	""	""	1	1	"353259"	NA
"601098"	601098	"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1ccc(cc1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	2	1	"146591"	NA
"601100"	601100	"7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1cccc(c1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	"146671"	NA
"601101"	601101	"2-[2-[(E)-2-(1,2-benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride"	"CCN(CC)CCOc1ccccc1\C=C\c2noc3ccccc23"	0	""	""	1	1	"5351338"	NA
"601346"	601346	".alpha.-cyclodextrin, compd. with hydroxy(2-pyridinyl) d..."	"[Na+].OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC1C(O)C2O.ON=Nc8ccccn8"	0	NA	NA	2	1	"483387"	NA
"601347"	601347	"dimethyl-4-oxo-1,2,3,4-tetrahydroquinazoline  2,2-diyl-d..."	"COC(=O)NC1(NC(=O)OC)NC(=O)c2ccccc2N1"	0	""	""	1	1	"353373"	NA
"601348"	601348	"Methyl 4-hydroxy-2-quinazolinylcarbamate"	"COC(=O)NC1=NC(=O)c2ccccc2N1"	0	""	""	1	1	"135429915"	NA
"601351"	601351	"rsu 1165"	"C[C@H]1[C@H](C)N1CC(O)Cn2ccnc2[N+](=O)[O-]"	0	NA	NA	2	1	"483390"	"105027789"
"601353"	601353	"isoalantolactone"	"C[C@]12CCCC(=C)C1CC3C(C2)OC(=O)C3=C"	0	NA	NA	1	1	"483392"	NA
"601359"	601359	"n-(4-bromonaphthalen-1-yl)-1-hydroxy-2-naphthamide"	"Oc1c(ccc2ccccc12)C(=O)Nc3ccc(Br)c4ccccc34"	0	""	""	1	1	"353380"	NA
"601361"	601361	"D,L-Buthionine Sulfoxide"	"CCCCS(=O)CCC(N)C(=O)O"	0	""	""	1	1	"353382"	NA
"601363"	601363	"5-Chloro-4-hydrazinoquinazoline"	"NNc1ncnc2cccc(Cl)c12"	0	""	""	1	1	"353384"	NA
"601364"	601364	"ferene"	"OS(=O)(=O)c1oc(cc1)c2nnc(nc2c3oc(cc3)S(=O)(=O)O)c4ccccn4"	0	NA	NA	1	1	"483400"	"79551147"
"601422"	601422	"Quinocarcin monocitrate"	"COc1cccc2C[C@@H]3C4[C@H](CC([C@@H]5OC[C@@H](N35)c12)N4C)C(=O)O"	0	""	""	7	2	"353396"	NA
"601518"	601518	"9-[(6-Nitro-3-pyridyl)sulfanyl]acridine"	"[O-][N+](=O)c1ccc(Sc2c3ccccc3nc4ccccc24)cn1"	0	""	""	2	2	"353415"	NA
"601679"	601679	"Ilmofosine"	"CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)OCC[N+](C)(C)C"	0	""	""	2	2	"55008"	NA
"601811"	601811	"benzyl N-(trimethylsilylmethyl)carbamate"	"C[Si](C)(C)CNC(=O)OCc1ccccc1"	0	""	""	1	1	"353436"	NA
"601851"	601851	"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate"	"COC(=O)NC1=NNC(=O)c2ccccc2N1"	0	""	""	2	1	"353471"	NA
"601852"	601852	"Veracoquinazole"	"COC(=O)NC1=NC(=O)c2cc(OC)c(OC)cc2N1"	0	""	""	1	1	"135416663"	NA
"601853"	601853	"Gallibiscoquinazole"	"COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1"	0	""	""	1	1	"353472"	NA
"601854"	601854	"Verabiscoquinazole"	"COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)cc2N1"	0	""	""	1	1	"353473"	NA
"601904"	601904	"Matsutakeside I"	"COc1cc(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc4cc(oc14)c5ccc6OCOc6c5"	0	""	""	6	1	"353479"	NA
"601980"	601980	"(E)-3-Methyl-2-(2-phenylhydrazono)-1,2-dihydroquinoxaline"	"CC1=Nc2ccccc2N/C/1=N/Nc3ccccc3"	0	NA	NA	4	4	"483512"	"91757469"
"601994"	601994	"N-[(E)-(6-methylchromen-4-ylidene)amino]aniline"	"Cc1ccc2OC=C\C(=N/Nc3ccccc3)\c2c1"	0	""	""	1	1	"5838964"	NA
"602022"	602022	"1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-pyrimidin..."	"Fc1cccc(F)c1C(=O)NC(=O)Nc2cccc(Oc3ncc(Cl)cn3)c2"	0	""	""	6	2	"353513"	NA
"602066"	602066	"1-penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)..."	"CCN(CC)CC(C)(C)C(=O)\C=C\c1ccc(\C=C\C(=O)C(C)(C)CN(CC)CC)cc1"	0	NA	NA	2	2	"483541"	NA
"602069"	602069	"3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol"	"[O-][N+](=O)c1cccnc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	"4418979"	NA
"602077"	602077	""	"OP(=O)(O)CC(=O)NC(CC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	1	1	"483548"	NA
"602130"	602130	"13-Desoxyphomenone"	"C[C@H]1C(O)CCC2=CC(=O)C3(OC3[C@]12C)C(=C)C"	0	""	""	1	1	"353550"	NA
"602132"	602132	"N,N-dimethyl-1-(1H-perimidin-2-yl)methanamine"	"CN(C)CC1=Nc2cccc3cccc(N1)c23"	0	""	""	1	1	"353551"	NA
"602313"	602313	"2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(c(Cl)c2)[N+](=O)[O-]"	0	""	""	4	4	"353606"	NA
"602340"	602340	"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1cccc(C2CC(C)(O)Oc3cc4OCOc4cc23)c1O"	0	""	""	2	2	"146661"	NA
"602610"	602610	"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-"	"Cc1nc2C(=O)C3=C(C4CCC3C=C4)C(=O)c2nc1C"	0	""	""	2	2	"353637"	NA
"602613"	602613	"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione"	"O=C1C2C3CC(C=C3)C2C(=O)c4ncccc14"	0	""	""	1	1	"353640"	NA
"602617"	602617	"benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-"	"Cc1nc2C(=O)c3ccccc3C(=O)c2nc1C"	0	""	""	5	5	"353644"	NA
"602670"	602670	"timazid"	"CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O"	0	""	"FDA approved"	12	1	"-1"	"30516871"
"602849"	602849	"2,9-Bis(chloromethyl)-1,10-phenanthroline"	"ClCc1ccc2ccc3ccc(CCl)nc3c2n1"	0	""	""	2	1	"353740"	NA
"602850"	602850	"2,9-Bis(bromomethyl)-1,10-phenanthroline"	"BrCc1ccc2ccc3ccc(CBr)nc3c2n1"	0	""	""	2	2	"353741"	NA
"602881"	602881	"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	"COC(=O)C1(F)C(O)NC(=O)NC1=O"	0	""	""	2	1	"353769"	NA
"602891"	602891	"1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium"	"CCn1ncc2c1nc(c[n+]2[O-])c3ccccc3"	0	""	""	1	1	"494317"	NA
"602949"	602949	""	"[R]N(CCCl)CCCl.NC1(CCc2ccccc2C1)C(=O)O"	0	NA	NA	1	1	"580518"	NA
"603071"	603071	"Aminocamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	"TOP1"	""	7	5	"72402"	"91421431"
"603072"	603072	"12-nitro-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cccc(c5nc34)[N+](=O)[O-])C2=O"	0	NA	NA	1	1	"440669669"	NA
"603073"	603073	"12-amino-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cccc(N)c5nc34)C2=O"	0	NA	NA	1	1	"440669670"	NA
"603074"	603074	"9-nitro-10-methoxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(c(OC)ccc5nc34)[N+](=O)[O-])C2=O"	0	"TOP1"	""	2	2	"-1"	NA
"603075"	603075	"9-amino-10-methoxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)c(OC)ccc5nc34)C2=O"	0	NA	NA	2	2	"440669672"	NA
"603076"	603076	"9-nitro-10-hydroxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(c(O)ccc5nc34)[N+](=O)[O-])C2=O"	0	"TOP1"	""	2	2	"-1"	NA
"603077"	603077	"9-acetamido-10-hydroxy-20-(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	""	2	2	"-1"	NA
"603084"	603084	"2-butene, 2,3-dibromo-1,4-bis[(3,4-dichloro-2,5-dihydro-..."	"ClC1=C(Cl)C(=O)OC1OC\C(=C(/Br)\COC2OC(=O)C(=C2Cl)Cl)\Br"	0	""	""	3	3	"3005840"	NA
"603086"	603086	"2-butene, 2,3-dibromo-1,4-bis[(3,4-dichloro-2,5-dihydro-..."	"ClC1=C(Cl)C(=O)OC1OC\C(=C(\Br)/COC2OC(=O)C(=C2Cl)Cl)\Br"	0	NA	NA	2	2	"483854"	NA
"603098"	603098	"N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine"	"Cc1ccc(cn1)c2ccc(Nc3c4ccccc4nc5ccccc35)cc2"	0	""	""	1	1	"353840"	NA
"603108"	603108	"clanfenur (inn)"	"CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2"	0	""	""	2	2	"68684"	NA
"603335"	603335	"2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-"	"OCC1OC(C(O)C1O)N2C=CC(=C(Cl)C2=O)O"	0	""	""	4	4	"54716343"	NA
"603534"	603534	"diazene, hydroxy[5-(phenylsulfinyl)-2-pyridinyl]-, sodiu..."	"[Na+].ON=Nc1ccc(cn1)S(=O)c2ccccc2"	0	NA	NA	2	1	"483921"	NA
"603553"	603553	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(4-methoxy p..."	"COc1ccc(cc1)C(=O)C(=C)CN(C)C"	0	NA	NA	4	4	"483929"	NA
"603555"	603555	"2-propen-1-one, 2-[(dimethylamino)methyl]-1-(4-phenoxy p..."	"CN(C)CC(=C)C(=O)c1ccc(Oc2ccccc2)cc1"	0	NA	NA	4	4	"483931"	NA
"603577"	603577	"platinum, dichloro[dimethylsilylenebis(methanamine)]-, (..."	"[Cl-][Pt+2]1([Cl-])NC[Si](C)(C)CN1"	0	""	""	1	1	"498227"	NA
"603578"	603578	"platinum, tetrachloro[dimethylsilylenebis(methanamine)]-..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](C)(C)CN1"	0	NA	NA	3	3	"580529"	NA
"603624"	603624	"NCIMech_000418"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2=NC(C)(C)N(C(=N2)N)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"353973"	NA
"603661"	603661	"methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate"	"COC(=O)C1(CCC(C1)[C@H](C(C)[N+](=O)[O-])c2ccccc2)N3CCOCC3"	0	""	""	1	1	"353993"	NA
"603719"	603719	"NCIMech_000107"	"Oc1ccc2NC(=O)Oc2c1"	0	""	""	1	1	"157167"	NA
"603831"	603831	"kusaginin"	"CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)\C=C\c4ccc(O)c(O)c4)C(O)C(O)C1O"	0	NA	NA	1	1	"484025"	"61276173"
"603974"	603974	"EH00008"	"ClC1=NSN=C(Cl)C1=O"	0	""	""	2	2	"354026"	NA
"603976"	603976	"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol"	"OCCN1CCN(CC1)C2Cc3ccc(F)cc3Sc4ccc(cc24)[N+](=O)[O-]"	0	""	""	1	1	"354028"	NA
"603977"	603977	"7H-Thieno[2,3-c]thiopyran-4-one"	"O=C1CSCc2sccc12"	0	""	""	1	1	"354029"	NA
"603989"	603989	"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-b]phenazine"	"CC1(C)N=C2C=C3N(c4ccc(Cl)cc4)c5ccccc5N=C3C=C2N1c6ccc(Cl)cc6"	0	""	""	1	1	"354039"	NA
"604294"	604294	""	"CCN(CC)CCN(C)CC(C)(C)C(=O)\C=C\c1ccccc1"	0	NA	NA	1	1	"484083"	NA
"604558"	604558	"[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride"	"CN(C)c1ccc2nc3c(cc(NCCCNc4cc5[o+]c6cc(ccc6nc5c7ccccc47)N(C)C)c8ccccc38)[o+]c2c1"	0	""	""	2	2	"354083"	"63617549"
"604574"	604574	"2-(4-Iodobenzyl)ellipticine, hydrochloride"	"Cc1c2cc[n+](Cc3ccc(I)cc3)cc2c(C)c4c5ccccc5[nH]c14"	0	""	""	6	5	"354096"	NA
"604586"	604586	"2-butenamide, n-(4-chlorophenyl)-4,4,4-trichloro-"	"Clc1ccc(NC(=O)\C=C\C(Cl)(Cl)Cl)cc1"	0	""	""	2	2	"5927763"	NA
"604869"	604869	"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione"	"[O-][N+](=O)c1c2OCOc2cc3C(=O)c4ccccc4C(=O)c13"	0	""	""	1	1	"354141"	NA
"604976"	604976	"Baccharinoid B4"	"CC(O)C1CCCCC(=O)O[C@@H]2C[C@H]3OC4C=C(C)[C@H](O)CC4(COC(=O)C5OC5(C)C(O)CO1)[C@]2(C)[C@@]36CO6"	0	NA	NA	2	2	"484169"	NA
"604979"	604979	"2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone"	"NC1=NC(=C(Br)C(=O)N1)c2cccc(c2)[N+](=O)[O-]"	0	""	""	3	1	"135415735"	NA
"605099"	605099	"b676297k277 3',4'-deoxypsorospermin 3',4'-chlorohydrin"	"COc1cc2OC(Cc2c3Oc4c(O)cccc4C(=O)c13)C(C)(O)CCl"	0	""	""	2	2	"354175"	NA
"605100"	605100	"B676297K152 3',4'-Deoxypsorospermin"	"COc1cc2OC(Cc2c3Oc4c(O)cccc4C(=O)c13)C(=C)C"	0	""	""	1	1	"354176"	NA
"605440"	605440	"isothiazolo[2,3-a]azepine, 5,7-bis(trifluoromethyl)- 2,3..."	"FC(F)(F)C1=CN2C(=CC(=C1)C(F)(F)F)CCS2(=O)=O"	0	""	""	4	4	"354292"	NA
"605471"	605471	"[3,4-Dibenzoyloxy-5-(3-cyano-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate"	"O=C(OCC1OC(C(OC(=O)c2ccccc2)C1OC(=O)c3ccccc3)n4nc(C#N)c5C(=O)NC=Nc45)c6ccccc6"	0	""	""	1	1	"135429918"	NA
"605583"	605583	"miltefosin c"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	NA	NA	5	3	"484338"	NA
"605607"	605607	""	"[Na+].ON=Nc1nc(nc2ccccc12)c3ccccn3"	0	NA	NA	1	1	"484339"	NA
"605756"	605756	"Proflavine HCl"	"Nc1ccc2cc3ccc(N)cc3nc2c1"	0	""	""	1	1	"197873"	NA
"605762"	605762	"ChemDiv1_019776"	"CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C(C)(C)CC"	0	""	""	1	1	"122566"	NA
"605763"	605763	"N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide"	"CCCC(=O)Nc1cc(c(cc1OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"354341"	NA
"606092"	606092	"1,2-cyclohexanediamine, platinum complex"	"NC1C(=O)[O-][Pt+2]2(NC3CCCCC3N2)[O-]C1=O"	0	""	""	1	1	"24201925"	NA
"606170"	606170	"Zalcitabine"	"NC1=NC(=O)N(C=C1)C2CCC(CO)O2"	0	"Ds"	"FDA approved"	11	2	"-1"	"7481892"
"606172"	606172	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccc(C=O)cc5nc34)C2=O"	0	"TOP1"	""	4	4	"184077"	NA
"606173"	606173	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccc(CO)cc5nc34)C2=O"	0	"TOP1"	""	2	2	"354395"	NA
"606174"	606174	"10,11-Methylenedioxy-20(RS)-camptothecin"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	""	""	6	2	"366358"	NA
"606194"	606194	"Annonacin"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O"	0	""	""	7	3	"354398"	NA
"606195"	606195	"from marine animal dolabella auricularia"	"CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O"	0	""	""	4	3	"354399"	NA
"606295"	606295	""	"C1CN=C(NNc2ccccc2)N1"	0	NA	NA	1	1	"484421"	NA
"606307"	606307	"curromycin a.b mixture"	"CNC1C(=O)C(C)C(O)(C(CC(C)C(O)\C=C\C=C\CNC(=O)C(C)(C)C(O)\C(=C\C=C/C=C/Cc2oc(C)nc2)\C)OC)C13C(C)OC3=O.CNC4C(=O)C(C)C(O)(C(CC(C)C(O)\C=C\C=C\CNC(=O)C(C)(C)C(O)\C(=C\C=C/C=C/Cc5oc(C)nc5)\C)OC)C46C(COC)OC6=O"	0	NA	NA	2	2	"484430"	NA
"606397"	606397	"urdamycin a"	"CC1OC(CCC1O)OC23C(=O)CC(C)(O)CC2(O)C=CC4=C3C(=O)c5ccc(C6CC(OC7CCC(OC8CC(O)C(O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O"	0	""	""	1	1	"340932"	"98474216"
"606398"	606398	"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	"CCCCCCCCCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N"	0	""	""	2	2	"354440"	NA
"606488"	606488	"tris(2-cyanoethyl)phosphine gold 2,3,4,6 tetra-o- acetyl..."	"CC(=O)OCC1OC([SeH3-][Au+]P(CCC#N)(CCC#N)CCC#N)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	1	"6330648"	NA
"606497"	606497	"Camptothecin Derivative"	"CCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	"489614"	NA
"606498"	606498	"Camptothecin Derivative"	"CCCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	1	1	"-1"	NA
"606499"	606499	"Camptothecin Derivative"	"CCCCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	NA
"606537"	606537	"[3,4-Dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate"	"O=C(OCC1OC(C(OC(=O)c2ccccc2)C1OC(=O)c3ccccc3)n4ccn5ncc(C#N)c45)c6ccccc6"	0	""	""	2	1	"354533"	NA
"606538"	606538	""	"CN(C)CCN(C)CCC(=O)\C=C\c1ccccc1"	0	NA	NA	2	2	"484542"	NA
"606566"	606566	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile"	"CC1=CC2=C(C#N)C(=O)OC2(C)C(C1)c3ccccc3"	0	""	""	1	1	"354550"	NA
"606567"	606567	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide"	"CC1=CC2=C(C(=O)N)C(=O)OC2(C)C(C1)c3ccccc3"	0	""	""	1	1	"354551"	NA
"606698"	606698	"Rapamycin"	"COC1CC(CC(C)C2CC(=O)C(C)\C=C(/C)\C(OC(=O)CN(C)C)C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(\C)/C(CC3CCC(C)[C@](O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O"	0	"PK:STK,MTOR"	"FDA approved"	2	2	"-1"	NA
"606699"	606699	"rapamycin prodrug, mono-(28)-n,n-diethylpropionate-, hyd..."	"CCN(CC)CCC(=O)OC1C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(\C)/C(CC2CCC(C)[C@](O)(O2)C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C)\C=C\1/C)C(C)CC4CCC(O)C(C4)OC)OC"	0	NA	NA	2	2	"484576"	NA
"606869"	606869	"Clofarabine"	"Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3F"	0	"Ds"	"FDA approved"	3	3	"354624"	"123318821"
"606985"	606985	"Camptothecin Derivative"	"CCC1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	6	5	"-1"	NA
"606986"	606986	"Camptothecin Derivative"	"[Cl-].CCC1(OC(=O)CNC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	NA
"607088"	607088	""	"[ClH-][Mn+2]12O=C(N[N+]1=Cc3cc(Br)ccc3[O-]2)c4ccccc4"	0	NA	NA	2	2	"484709"	NA
"607097"	607097	"7-Cyanoquinocarcinol"	"COc1cccc2CC3C4C(CC(C(C#N)N3C(CO)c12)N4C)C(=O)O"	0	NA	NA	9	6	"484717"	"96251591"
"607173"	607173	"Hymenialdisine"	"NC1=NC(=O)\C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)\N1"	0	NA	NA	2	2	"484744"	NA
"607281"	607281	""	"Cc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(C)cc3)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	2	1	"580587"	NA
"607301"	607301	"l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl) methy..."	"Nc1nc(N)c2nc(CNc3ccc(cc3F)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	""	""	2	2	"354767"	NA
"607320"	607320	"GCFLTOLIWWOBOI-UHFFFAOYSA-N"	"CC(=O)C(=Cc1ccc(C=C(C(=O)C)C(=O)C)cc1)C(=O)C"	0	""	""	3	2	"354777"	NA
"607347"	607347	"benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-"	"Fc1ccc(SC(CCl)CCl)cc1"	0	""	""	2	2	"354778"	NA
"607568"	607568	"2-furancarboxaldehyde, 5-nitro-, (5-hydroxy-6-methyl- 1,..."	"Cc1nnc(N\N=C\c2oc(cc2)[N+](=O)[O-])nc1O"	0	""	""	2	1	"135455470"	NA
"607740"	607740	""	"[O-][N+](=O)\C=C\c1cc2ccc3ccccc3c2[nH]1"	0	NA	NA	2	2	"484953"	NA
"607759"	607759	"linolenic acid methyl ester"	"CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC"	0	""	""	2	1	"5319706"	NA
"607993"	607993	"2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol"	"COc1ccc(cc1)c2onc(c2)c3cc(C)cc(Br)c3O"	0	""	""	1	1	"355054"	NA
"608003"	608003	"l-phenylalanine, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahy..."	"NC(Cc1ccccc1)C(=O)OCN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(COC(=O)C(N)Cc7ccccc7)C6=O)C3C2=O.OCC(O)C(O)C(O)C(O)C(=O)O.[Na]Cl"	0	NA	NA	1	1	"485053"	NA
"608068"	608068	"CBMicro_024229"	"Oc1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3"	0	""	""	1	1	"135455478"	NA
"608069"	608069	"2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-"	"Oc1ccc2C(=C(C(=O)Oc2c1)c3nc4ccccc4s3)C#N"	0	""	""	1	1	"135455479"	NA
"608210"	608210	"Vinorelbine"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.O[C@H]([C@@H](O)C(=O)O)C(=O)O"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	"25136944"	"125317397"
"608329"	608329	"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	"CCNCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNCC)ccc3C(=O)c2c1"	0	""	""	1	1	"355146"	NA
"608462"	608462	"dichloro-bis(4-fluorophenyl)[?]"	"Fc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(F)cc3)[n+]4ccccc4c5cccc[n+]25"	0	""	""	1	1	"494335"	NA
"608463"	608463	"tin, dichloro[1,10-phenanthroline-n(1),n(10)] bis[4-(tri..."	"FC(F)(F)c1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(cc3)C(F)(F)F)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	""	""	1	1	"498233"	NA
"608465"	608465	""	"Fc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(F)cc3)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	1	1	"580611"	NA
"608776"	608776	"4h-1-benzopyran-4-one, 2,3-dihydro-7,8-dimethoxy- 3-[(di..."	"[Cl-].COc1ccc2C(=O)C(CN(C)C)COc2c1OC"	0	NA	NA	2	2	"485357"	NA
"608832"	608832	"Taxol derivative"	"CN(C)CCCNC(=O)CCCC(=O)OC(C(NC(=O)c1ccccc1)c2ccccc2)C(=O)O[C@H]3C[C@@]4(O)C(OC(=O)c5ccccc5)C6C7(COC7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	"TUBB"	""	6	6	"-1"	NA
"608858"	608858	"2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate"	"CC(C)NC(=O)OCCS(=O)c1c(Cl)c(Cl)nn1C"	0	""	""	1	1	"355403"	NA
"608970"	608970	""	"OC(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl.C12=C3[CH-]4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10"	0	NA	NA	1	1	"580625"	NA
"608972"	608972	"Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron"	"[ClH-][Fe+3]([ClH-])([ClH-])[O-2][Fe+3]([ClH-])([ClH-])[ClH-].C12=C3[CH-]4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10"	0	""	""	1	1	"498236"	NA
"608974"	608974	"Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron"	"[O-]C(=O)CC[C-]12C3=C4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	""	""	1	1	"498239"	NA
"608979"	608979	""	"CC1#[N+][Ti+4]123456789([ClH-])(C%10=C2[CH-]3C4=C5%10)C%11=C6[CH-]7C8=C9%11.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	NA	NA	1	1	"580634"	NA
"608984"	608984	"leucinostatine d"	NA	0	""	""	2	2	"5459065"	"39405646"
"609077"	609077	""	"COc1ccc(cc1)C(OCC2OC(C(O)C2O)N3C=CC(=NC3=O)NC(=O)c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"485442"	NA
"609259"	609259	"2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one"	"COc1c(CCl)cc(cc1CCl)C2=CC(=O)c3ccccc3S2"	0	""	""	2	2	"355507"	NA
"609356"	609356	"1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole"	"CC(=O)On1c(nc2ccccc12)c3ccccc3c4nc5ccccc5n4OC(=O)C"	0	""	""	1	1	"355531"	NA
"609394"	609394	"homohalichondrin b"	"CC1C[C@@]2(CC(C)[C@@H]3O[C@@]4(CC5OC6C(CC5O4)O[C@H]7C[C@H]8OC(CC[C@@H]9OC(CC[C@@]%10%11CC%12O[C@@H]%13C(O[C@H]%14CC[C@H](CC(=O)OC7C6C)OC%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15CC%16OC(CC%16O[C@@H]1%15)C(O)CO"	0	""	""	5	3	"6711269"	NA
"609395"	609395	"Halichondrin B"	"CC1C[C@@]2(CC(C)[C@@H]3O[C@@]4(CC5OC6C(CC5O4)O[C@H]7C[C@H]8OC(CC[C@@H]9OC(CC[C@@]%10%11CC%12O[C@@H]%13C(O[C@H]%14CC[C@H](CC(=O)OC7C6C)OC%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H](O[C@@H]1%15)C(O)CC(O)CO"	0	"TUBB"	""	12	3	"-1"	NA
"609397"	609397	"from combretum caffrum plant"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	4	4	"485522"	NA
"609694"	609694	"bis(3-chloropropyl)disulfide"	"ClCCCSSCCCCl"	0	""	""	2	2	"355642"	NA
"609695"	609695	"disulfoxide, bis(3-chloropropyl)"	"ClCCCSS(=O)(=O)CCCCl"	0	""	""	3	2	"355643"	NA
"609699"	609699	"Topotecan"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	20	19	"-1"	"119413546"
"609700"	609700	"asimicin"	"CCCCCCCCCCC(O)[C@H]1CCC(O1)C2CC[C@@H](O2)[C@H](O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	2	2	"6711271"	NA
"609815"	609815	"2-Benzoylaminobenzamide, N-thiazol-2-yl-"	"O=C(Nc1ccccc1C(=O)Nc2nccs2)c3ccccc3"	0	""	""	1	1	"355710"	NA
"609821"	609821	"herbasterol"	"CC(C)CCCC(C)[C@H]1CCC(C2C[C@@H](O)[C@@H]3CC(O)[C@@H](O)C[C@]3(CO)C2=O)[C@]1(C)CCO"	0	""	""	2	1	"355716"	NA
"609964"	609964	""	"O=C1\C(=C\c2ccccc2)\CNC/C/1=C\c3ccccc3"	0	NA	NA	2	2	"485737"	NA
"610173"	610173	"5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one"	"COC1=C(Oc2c(OC)cc(OC)c(O)c2C1=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"355799"	NA
"610187"	610187	"Erbstatin"	"Oc1ccc(O)c(\C=C\NC=O)c1"	0	NA	NA	3	2	"485794"	"100827289"
"610188"	610188	""	"COc1ccc(OC)c(\C=C\[N+](=O)[O-])c1"	0	NA	NA	3	2	"485795"	NA
"610190"	610190	"6h-pyrido[4,3-b]carbazole, 5-hydroxymethyl-11-methyl-, n..."	"CNC(=O)OCc1c2ccncc2c(C)c3c4ccccc4[nH]c13"	0	""	""	2	2	"130066"	NA
"610456"	610456	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)CCC(=O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	"-1"	NA
"610457"	610457	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)C(N)CCCCN)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	"-1"	NA
"610458"	610458	"Camptothecin Derivative"	"CC[C@@]1(OP(=O)(O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	"5459073"	NA
"610459"	610459	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)C(N)CCC(=O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	NA
"610507"	610507	"EN300-04882"	"Cc1cc(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	"355876"	NA
"610686"	610686	"3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile"	"CSC1=NN(CCC#N)C(=O)N=C1SC"	0	""	""	1	1	"355930"	NA
"610744"	610744	"Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-"	"[O-][N+](=O)c1ccc(cc1)c2cn(cn2)c3ccc(Cl)cc3"	0	""	""	1	1	"355940"	NA
"610782"	610782	"1-Methylchromeno[2,3-b]pyridine-2,5-dione"	"CN1C(=O)C=CC2=C1Oc3ccccc3C2=O"	0	""	""	1	1	"355947"	NA
"610898"	610898	""	"C[n+]1c(\C=C\c2ccc(\C=N\NC(=O)c3ccc(cc3)C(=O)N\N=C\c4ccc(\C=C\c5cn6ccccc6[n+]5C)cc4)cc2)cn7ccccc17"	0	NA	NA	1	1	"485958"	NA
"610930"	610930	"2,8-bis(2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyld..."	"CC1=C(Nc2c(C)cc(O)cc2O)C(=O)C=C3OC4=CC(=O)C(=C(C)C4=C13)Nc5c(C)cc(O)cc5O"	0	""	""	1	1	"72685"	"1400620"
"610938"	610938	""	"[Na+].OC(=O)C1=C\C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)\c5ccccc5C1=O"	0	NA	NA	1	1	"485976"	NA
"610965"	610965	"2-chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide"	"ClCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCl)ccc3C(=O)c2c1"	0	""	""	1	1	"355988"	NA
"610970"	610970	"Raptinal;NSC 610970"	"O=CC1(c2ccccc2c3ccccc13)C4(C=O)c5ccccc5c6ccccc46"	0	""	""	3	1	"355994"	NA
"611228"	611228	"1,2-hydroxy-3-naphthoic acid"	"OC(=O)c1cc2ccccc2c(O)c1O"	0	""	""	2	2	"356138"	NA
"611261"	611261	"(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate"	"CN1C(=O)C2(C3CC4C(CO3)C5C2C4(COC(=O)C)CN5C#N)c6ccccc16"	0	""	""	1	1	"356178"	NA
"611266"	611266	"(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol"	"COc1ccc2C[C@H]3N(C)CC[C@@]4(CCCC=C34)c2c1O"	0	""	""	1	1	"6711279"	NA
"611372"	611372	"4-Amino-1,2-dihydrobenz(cd)indol-2-one"	"Nc1cc2C(=O)Nc3cccc(c1)c23"	0	""	""	1	1	"356218"	NA
"611377"	611377	"Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate"	"CCOC(=O)C1CN(C)c2cc3CN(C(=O)C)c4cccc(c2C1)c34"	0	""	""	1	1	"356223"	NA
"611388"	611388	"Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate"	"CCOC(=O)C(C#N)C1=CC(=O)C(=O)c2ccc(OC)cc12"	0	""	""	1	1	"356235"	NA
"611701"	611701	"3-Hydroxy-1,10-dimethylacridin-9-one"	"CN1c2ccccc2C(=O)c3c(C)cc(O)cc13"	0	""	""	1	1	"5386484"	NA
"611747"	611747	"calyculin a"	"COCC([C@@H](O)C(O)C(=O)NCC[C@@H](C)c1occ(\C=C\CC2OC3(C[C@H](O)C2C)OC(C(C[C@@H](O)C(C)[C@@H](O)C(C)\C=C(/C)\C(=C\C=C\C(=C\C#N)\C)\C)OC)[C@@H](OP(=O)(O)O)C3(C)C)n1)N(C)C"	0	NA	NA	1	1	"486315"	NA
"611750"	611750	"3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol"	"COc1cc(C(O)CCBr)c(OC)cc1C"	0	""	""	2	2	"356336"	NA
"612115"	612115	"colchicine analog"	"CCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)OC"	0	""	""	7	5	"356433"	NA
"612116"	612116	"colchicine analog"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC(=O)C)c(OC(=O)C)c(OC)c23)NC(=O)C"	0	""	""	5	4	"356434"	NA
"612223"	612223	"3-(2-Quinolyl)-6-(3,4,5-trimethoxyphenyl)pyridine-2,4-diol"	"COc1cc(cc(OC)c1OC)c2cc(O)c(c(O)n2)c3ccc4ccccc4n3"	0	""	""	4	3	"135429924"	NA
"612789"	612789	"Acrovestone"	"COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(=O)C)c2O)c(O)c1C(=O)C"	0	""	""	2	2	"159969"	NA
"612828"	612828	"(1R,2R,7S)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde"	"O=C[C@]12CC=C3OC4OC5(CCCCC5)OC4[C@H]3[C@H]1C(=O)C=CC2=O"	0	""	""	1	1	"356542"	NA
"612941"	612941	"1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide"	"CC(=O)c1ccc2c(c1)c3c(C)c4c[n+](C)ccc4c(C)c3n2C"	0	""	""	2	2	"356564"	NA
"612955"	612955	"1,5-dihydroxy-1,5-di(pyridin-3-yl)pentan-3-one"	"OC(CC(=O)CC(O)c1cccnc1)c2cccnc2"	0	NA	NA	2	2	"486563"	NA
"612975"	612975	"[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone"	"COc1ccc(OC)c(c1)C(=O)c2cccc(n2)C(=O)c3cc(OC)ccc3OC"	0	""	""	1	1	"356573"	NA
"613001"	613001	"N-[9-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	""	""	1	1	"356578"	NA
"613002"	613002	"O-[5-(6-benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate"	"CSC(=S)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	""	""	4	2	"356579"	NA
"613004"	613004	""	"CC(C)(C)[Si](C)(C)OCC1CCC(O1)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	NA	NA	1	1	"486573"	NA
"613009"	613009	"jaspamide"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)NC(C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4"	0	NA	NA	7	2	"486578"	"102396247"
"613011"	613011	"Latrunculin A"	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	"445420"	"76343936"
"613012"	613012	"bengamide a"	"CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)C(O)C(O)C(O)\C=C\C(C)C)C(=O)NC1"	0	""	""	5	4	"5386504"	"104947684"
"613056"	613056	"2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol"	"CSc1nc(SC)c2c(C)cn(C3OC(C)C(O)C(O)C3O)c2n1"	0	""	""	1	1	"356592"	NA
"613238"	613238	"Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine"	"CN(C)C(n1cc2CN=C(c3ccccc3F)c4cc(Cl)ccc4c2c1)n5cc6CN=C(c7ccccc7F)c8cc(Cl)ccc8c6c5"	0	""	""	1	1	"356626"	NA
"613244"	613244	"urdamycin a, pentaacetate"	"[R]C(=O)C.CC1OC(CCC1OC2CC(OC(=O)C)C(OC(=O)C)C(C)O2)OC3CC(OC(C)C3OC(=O)C)c4ccc5C(=O)C6=C(C=C[C@@]7(O)C[C@](C)(O)CC(=O)[C@@]67OC8CCC(OC(=O)C)C(C)O8)C(=O)c5c4O"	0	""	""	2	2	"5459094"	"104542485"
"613327"	613327	"Gemcitabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F"	0	"Ds"	"FDA approved"	10	9	"60750"	"122111039"
"613467"	613467	"formamide, n-[2-(3-hydroxyphenyl)ethene-1-yl]-, (e)-"	"Oc1cccc(\C=C\NC=O)c1"	0	""	""	5	2	"5386517"	NA
"613493"	613493	"1-[3-[2,4-Dimethyl-5-(methylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoyl]-5-fluoropyrimidine-2,4-dione"	"CNC1=C(C)C(=O)C(=C(C1=O)C(C)(C)CC(=O)N2C=C(F)C(=O)NC2=O)C"	0	""	""	2	2	"356667"	NA
"613575"	613575	"CDPI-trimer methyl ester"	"COC(=O)c1cc2c3CCN(C(=O)c4cc5c6CCN(C(=O)c7cc8c9CCN(C(=O)N)c9ccc8[nH]7)c6ccc5[nH]4)c3ccc2[nH]1"	0	""	""	2	2	"356692"	NA
"613662"	613662	"N-[4-[4-(acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine"	"N(c1ccc(Oc2ccc(Nc3c4ccccc4nc5ccccc35)cc2)cc1)c6c7ccccc7nc8ccccc68"	0	""	""	3	2	"356733"	NA
"613668"	613668	""	"Cc1ncc(CO)c2C=[N+]3NC(=S[Cu+2]3([ClH-])[O-]c12)N"	0	NA	NA	2	1	"486737"	NA
"613678"	613678	""	NA	0	NA	NA	1	1	"486745"	NA
"613690"	613690	"7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide"	"C(OC1=CC=CN2C[n+]3cccc(OCc4ccccc4)c3N=C12)c5ccccc5"	0	""	""	1	1	"356739"	NA
"613729"	613729	"Combretastatin A4"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	13	6	"486760"	"117048596"
"613752"	613752	"3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol"	"COc1ccc(\C=C/c2cc(OC)c3OCOc3c2)c(O)c1O"	0	""	""	2	2	"5386543"	NA
"613777"	613777	"3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	"5386558"	NA
"613799"	613799	"20(s)-camptothecin-21-lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	"440669677"	NA
"614049"	614049	"1-phenazinol, 7,8-bis[(4-morpholinyl)methyl]-, 5,10- dio..."	"Oc1cccc2c1[n+]([O-])c3cc(CN4CCOCC4)c(CN5CCOCC5)cc3[n+]2[O-]"	0	""	""	2	2	"135455540"	NA
"614050"	614050	"1-phenazinol, 7,8-bis(bromomethyl)-, 5,10-dioxide"	"Oc1cccc2c1[n+]([O-])c3cc(CBr)c(CBr)cc3[n+]2[O-]"	0	""	""	2	2	"135435456"	NA
"614314"	614314	"N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide"	"O=C(Cc1ccc(OCc2ccccc2)cc1)NCc3ccc4OCOc4c3"	0	""	""	1	1	"356825"	NA
"614339"	614339	""	"C[N+]1(C)C[C@@H]2[C@@H](C1)P(c3ccccc3)(c4ccccc4)[Rh+]567(C8=C5CCC6=C7CC8)P2(c9ccccc9)c%10ccccc%10"	0	NA	NA	2	1	"486889"	NA
"614383"	614383	"Crc 86-05"	"CCCCCCCCCCCCCCCCCCOCC1(COP(=O)(O)OCC[N+](C)(C)C)CCCO1"	0	""	""	1	1	"130724"	NA
"614491"	614491	"8-Chloro-cyclicamp"	"Nc1ncnc2c1nc(Cl)n2C3OC4COP(=O)(O)OC4C3O"	0	NA	NA	2	2	"486989"	NA
"614495"	614495	"b723735k022"	"O\N=C(/Cc1ccc(O)c(Br)c1)\C(=O)NCCSSCCNC(=O)\C(=N\O)\Cc2ccc(O)c(Br)c2"	0	NA	NA	2	2	"486993"	NA
"614496"	614496	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)[C@H]2C3[C@@H](COC3=O)Cc4cc5OCOc5cc24"	0	""	""	2	2	"356942"	NA
"614539"	614539	"1-(2-aminophenyl)-3-(1H-indol-3-yl)propan-1-one"	"Nc1ccccc1C(=O)CCc2c[nH]c3ccccc23"	0	""	""	1	1	"356984"	NA
"614554"	614554	"ajoene, trans-"	"C=CCSS\C=C\CS(=O)CC=C"	0	""	""	2	2	"5386591"	NA
"614566"	614566	"2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide"	"CC1=C(NC(=O)CCl)C(=O)Oc2c(C)c3OC=CC(=O)c3cc12"	0	""	""	1	1	"356997"	NA
"614633"	614633	"2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride"	"Oc1cccc2c1[n+]([O-])c3cc4CN(CCN5CCOCC5)Cc4cc3[n+]2[O-]"	0	""	""	1	1	"135455545"	NA
"614642"	614642	"Irisquinone"	"CCCCCC\C=C/CCCCCCCCCC1=CC(=O)C=C(OC)C1=O"	0	NA	NA	1	1	"487107"	NA
"614643"	614643	""	"CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)C(O)(CC)c3ccc(Cl)cc3)C12"	0	NA	NA	2	1	"487108"	NA
"614644"	614644	""	"CCC(O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)C12)c4ccc(Cl)cc4"	0	NA	NA	2	1	"487109"	NA
"614795"	614795	"Mimdtc"	"CSC(=S)N\N=C\c1nccc2ccccc12"	0	""	""	2	2	"9554742"	NA
"614802"	614802	"Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate"	"CSC1=S[Pt+2]2([ClH-])([ClH-])[N+](=Cc3c4ccccc4cc[n+]23)N1"	0	""	""	2	1	"9578810"	NA
"614826"	614826	"bisacodyl, active ingredient of viraplex"	"CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3"	0	"NonCan:Cath"	"FDA approved"	6	6	"-1"	NA
"614887"	614887	"platinum, (1,2-cyclohexanediamine-n,n')bis (4-morpholine..."	"O=S(=O)(CCCN1CCOCC1)[O-][Pt+2]2(NC3CCCCC3N2)[O-]S(=O)(=O)CCCN4CCOCC4"	0	""	""	2	2	"24201983"	NA
"614925"	614925	"Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium"	"CC(C)(C)[O+]1[O-][V+4]123(=O)[O-]c4ccc(Cl)cc4C=[N+]2c5ccc(Cl)cc5[O-]3"	0	""	""	1	1	"6711291"	NA
"614937"	614937	""	"IC1CC(OC1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=NC5=O)NC(=O)c6ccccc6"	0	NA	NA	3	1	"487204"	NA
"615035"	615035	"Pdtpt"	"Cc1nc(sc1C)[n+]2nc(nn2c3ccccc3)c4ccncc4"	0	""	""	1	1	"357140"	NA
"615258"	615258	"B817373K389 from Combetum caffrum"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC"	0	""	""	2	2	"5386627"	NA
"615291"	615291	"Bizelesin"	"Cc1c[nH]c2c(O)cc3N(C[C@@H](CCl)c3c12)C(=O)c4cc5cc(NC(=O)Nc6ccc7[nH]c(cc7c6)C(=O)N8C[C@@H](CCl)c9c8cc(O)c%10[nH]cc(C)c9%10)ccc5[nH]4"	0	""	""	7	2	"60794"	"129655216"
"615296"	615296	"Haloperidol"	"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3"	0	""	"FDA approved"	1	1	"-1"	NA
"615376"	615376	"2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)"	"Clc1cc(Cl)c2[O-][Co+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7)O=C(N[N+]5=Cc2c1)c8ccccc8"	0	""	""	1	1	"9569757"	NA
"615441"	615441	"1h-dibenz[de,h]isoquinoline-1,3-dione, 2,2'- [(1,2-ethan..."	"O=C1N(CCCNCCNCCCN2C(=O)c3cccc4cc5ccccc5c(C2=O)c34)C(=O)c6c7ccccc7cc8cccc1c68"	0	""	""	2	2	"357254"	NA
"615443"	615443	"2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione"	"CN(CCN1C(=O)c2cc(cc3cc(cc(C1=O)c23)[N+](=O)[O-])[N+](=O)[O-])CCN4C(=O)c5cc(cc6cc(cc(C4=O)c56)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"357257"	NA
"615484"	615484	"Bullatacin"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCC[C@H](O)CC3=CC(C)OC3=O"	0	""	""	4	2	"5459105"	NA
"615534"	615534	"1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one"	"CN1c2ccc(cc2C(=O)c3c(O)cc(O)cc13)[N+](=O)[O-]"	0	""	""	1	1	"5386678"	NA
"615537"	615537	""	"[Cl-][Pt+]([Cl-])([Sn](Cl)(Cl)Cl)[Sn](Cl)(Cl)Cl"	0	NA	NA	2	1	"487482"	NA
"615538"	615538	"antineoplastic-615538"	"Cl[Sn](Cl)(Cl)[Pt]([ClH-])(C#O)[Sn](Cl)(Cl)Cl.c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	3	2	"487483"	NA
"615539"	615539	""	"CC[N+](CC)(CC)CC.Cl[Sn](Cl)(Cl)[Pt]([ClH-])(C#O)[Sn](Cl)(Cl)Cl"	0	NA	NA	1	1	"487484"	NA
"615542"	615542	"Carbon monoxide;platinum;trichlorotin;triphenylphosphanium"	"Cl[Sn](Cl)(Cl)[Pt](C#O)(P(c1ccccc1)(c2ccccc2)c3ccccc3)(P(c4ccccc4)(c5ccccc5)c6ccccc6)[Sn](Cl)(Cl)Cl"	0	""	""	1	1	"6392756"	NA
"615552"	615552	"STK680281"	"O=C(c1ccccc1)c2ccc3n[se]nc3c2"	0	""	""	1	1	"357318"	NA
"615578"	615578	"6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione"	"Cc1ccc(cc1)N2C(=O)C3CSCN3C2=O"	0	""	""	2	1	"357328"	NA
"615580"	615580	"cycleanine plus mixture of other alkaloids"	"COc1cc2CCN(C)C3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)C(Cc7ccc(Oc(c1OC)c23)cc7)c56)cc4"	0	""	""	1	1	"357329"	NA
"615590"	615590	"platinum, (1,2-cyclohexanediamine-n,n') bis[4-(2-hydroxy..."	"OCCN1CCN(CCCS(=O)(=O)[O-][Pt+2]2(NC3CCCCC3N2)[O-]S(=O)(=O)CCCN4CCN(CCO)CC4)CC1"	0	""	""	2	2	"24201990"	NA
"615592"	615592	"platinum, (1,2-cyclohexanediamine-n,n')bis[2-[(3-bromo- ..."	"Oc1ccc(cc1Br)\C(=C/2\C=CC(=O)C(=C2)Br)\c3ccccc3S(=O)(=O)[O-][Pt+2]4(NC5CCCCC5N4)[O-]S(=O)(=O)c6ccccc6\C(=C\7/C=CC(=O)C(=C7)Br)\c8ccc(O)c(Br)c8"	0	""	""	1	1	"24201992"	NA
"615604"	615604	"4-butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione"	"CCCCC1(C2c3ccccc3Oc4ccccc24)C(=O)N(N(C1=O)c5ccccc5)c6ccccc6"	0	""	""	2	2	"357337"	NA
"615606"	615606	"5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole"	"COc1ccc2[nH]cc(\C=C(\C)/c3ccncc3)c2c1"	0	""	""	2	2	"5386680"	NA
"615791"	615791	"N-[2-(dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1c2ccccc2cc3ccccc13"	0	""	""	1	1	"357356"	NA
"615794"	615794	"STK807039"	"COC(CN1C(=O)c2cccc3cccc(C1=O)c23)OC"	0	""	""	1	1	"357360"	NA
"615796"	615796	"2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile"	"[O-][N+](=O)c1cc2C(=O)N(CC#N)C(=O)c3cccc(c1)c23"	0	""	""	1	1	"357362"	NA
"615797"	615797	"Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate"	"CCOC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-]"	0	""	""	1	1	"357363"	NA
"615798"	615798	"2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile"	"[O-][N+](=O)c1cc2C(=O)N(CC#N)C(=O)c3cc(cc(c1)c23)[N+](=O)[O-]"	0	""	""	2	1	"357364"	NA
"615799"	615799	"1h-benz[de]isoquinoline-2(3h)-acetic acid, 5,8-dinitro- ..."	"CCOC(=O)CN1C(=O)c2cc(cc3cc(cc(C1=O)c23)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	5	5	"357365"	NA
"615801"	615801	"8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid"	"CN(C)CCN(C)C(=O)c1cccc2cccc(C(=O)O)c12"	0	""	""	1	1	"357368"	NA
"615802"	615802	"2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride"	"CN(CCCN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-])CCN(C)CCCN4C(=O)c5cccc6cc(cc(C4=O)c56)[N+](=O)[O-]"	0	""	""	1	1	"357369"	NA
"615803"	615803	"1h-benz[de]isoquinoline-1,3(2h)-dione, 2,2'-[1,2- ethane..."	"[O-][N+](=O)c1cc2C(=O)N(CCCNCCNCCCN3C(=O)c4cc(cc5cc(cc(C3=O)c45)[N+](=O)[O-])[N+](=O)[O-])C(=O)c6cc(cc(c1)c26)[N+](=O)[O-]"	0	NA	NA	3	2	"487545"	NA
"615804"	615804	"Antineoplastic-615804"	"[O-][N+](=O)c1cc2C(=O)N(CCNCCNCCNCCN3C(=O)c4cccc5cc(cc(C3=O)c45)[N+](=O)[O-])C(=O)c6cccc(c1)c26"	0	NA	NA	2	1	"487546"	NA
"615806"	615806	""	"CN(C)CCNC(=O)c1cccc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	"487548"	NA
"616231"	616231	"5-hexyl-2'-deoxyuridine"	"CCCCCCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O"	0	NA	NA	2	1	"487603"	NA
"616232"	616232	"dibromodulcitol"	"OC(CBr)C(O)C(O)C(O)CBr"	0	NA	NA	2	2	"487604"	NA
"616241"	616241	"antineoplastic-616241"	"CCC1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	"440669678"	NA
"616271"	616271	""	"IC[P+]1(CCCC1)c2ccccc2"	0	NA	NA	1	1	"487632"	NA
"616273"	616273	"4-Tert-Butyl-1-phenyl-cyclohexanol"	"CC(C)(C)C1CCC(O)(CC1)c2ccccc2.CC(C)(C)[C@@H]3CC[C@](O)(CC3)c4ccccc4"	0	""	""	1	1	"357449"	NA
"616348"	616348	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	9	7	"-1"	"100286906"
"616355"	616355	"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine"	"CC(C)(C)[Si](C)(C)OCC1CCC(O1)n2cnc3c(N)ncnc23"	0	""	""	1	1	"357470"	NA
"616356"	616356	"9h-purin-6-amine, 9-[[5-[(1,1-dimethylethyl)dimethylsily..."	"CC(C)(C)[Si](C)(C)OCC1OC(C=C1)n2cnc3c(N)ncnc23"	0	""	""	3	1	"357471"	NA
"616357"	616357	"4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(=S)OC12)n3cnc4c(N)ncnc34"	0	""	""	1	1	"357472"	NA
"616358"	616358	"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1OS(=O)(=O)C)n2cnc3c(N)ncnc23"	0	""	""	1	1	"357473"	NA
"616359"	616359	"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione"	"COC(=S)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	""	""	1	1	"357474"	NA
"616362"	616362	"2-methoxycarbonyl-3,4-dichloro-5-nitrofuran"	"COC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-]"	0	""	""	3	2	"147711"	NA
"616511"	616511	"[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol"	"CSc1nc(SC)c2c(CO)c(Br)n(Cc3ccccc3)c2n1"	0	""	""	1	1	"357482"	NA
"616950"	616950	""	"O=C1CN2Cc3cc(ccc3N=C2N1)N4CCOCC4"	0	NA	NA	1	1	"487708"	NA
"616960"	616960	"ranunculin (8ci)"	"OCC1OC(OC[C@H]2OC(=O)C=C2)C(O)C(O)C1O"	0	NA	NA	2	2	"487710"	NA
"617012"	617012	"N-(2-methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide"	"COc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc2nc(cs2)c3ccccc3"	0	""	""	1	1	"357548"	NA
"617043"	617043	"1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate"	"Cc1ccc(C[P+]2(CCCCC2)c3ccccc3)cc1"	0	""	""	1	1	"24202004"	NA
"617047"	617047	"1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide"	"CC1CCC[P+](Cc2ccccc2)(CC1)c3ccccc3"	0	""	""	1	1	"357562"	NA
"617076"	617076	"Free base of NSC 610966"	"CNCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC)ccc3C(=O)c2c1"	0	""	""	1	1	"355990"	NA
"617128"	617128	"cis-7,9-diphenyl-3-methylene-1,8-dioxaspirodecan-2-one"	"C=C1CC2(C[C@H](O[C@H](C2)c3ccccc3)c4ccccc4)OC1=O"	0	""	""	3	3	"357605"	NA
"617129"	617129	"7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	"Clc1ccccc1C2CC3(CC(O2)c4ccccc4Cl)CC(=C)C(=O)O3"	0	""	""	4	2	"357606"	NA
"617130"	617130	"7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	"COc1ccccc1C2CC3(CC(O2)c4ccccc4OC)CC(=C)C(=O)O3"	0	""	""	3	3	"357607"	NA
"617131"	617131	"3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one"	"Cc1ccccc1C2CC3(CC(O2)c4ccccc4C)CC(=C)C(=O)O3"	0	""	""	3	3	"357608"	NA
"617140"	617140	"[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene"	"FC(F)(F)C1(Br)C(=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	"357616"	NA
"617145"	617145	"(2,2-dimethyl)-1,3-propandiyl-bis(2,3-dichloro)maleimide"	"CC(C)(CN1C(=O)C(=C(Cl)C1=O)Cl)CN2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	3	3	"357621"	NA
"617156"	617156	"6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid"	"CC(C)(C)c1cc(C(=O)O)c2c(c1)C(=O)OC2(c3ccccc3)c4ccccc4C(=O)O"	0	""	""	2	1	"357632"	NA
"617157"	617157	"5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid"	"CC(C)(C)c1cc(C(=O)O)c(C(c2ccccc2)c3ccccc3C(=O)O)c(c1)C(=O)O"	0	""	""	1	1	"357633"	NA
"617158"	617158	"4h,12h-dibenzo[cd,mn]pyrene-4,12-dione, 2-(1,1-dimethyle..."	"CC(C)(C)c1cc2C(=O)c3cccc4c(O)c5cccc6C(=O)c(c1)c2c(c56)c34"	0	""	""	1	1	"357634"	NA
"617189"	617189	"cyclopentaneethanol, 3-[1-(2-aminophenyl)ethenyl]-.alpha..."	"C\C=C(\CO)/[C@@H]1C[C@H](NCc2ccccc2)[C@](O)(C1)C(=C)c3ccccc3N"	0	""	""	1	1	"11969729"	NA
"617208"	617208	"KSC495O7F"	"COc1ccc(C=O)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"357691"	NA
"617260"	617260	"RLKHNNGEYFFESK-UHFFFAOYSA-N"	"O=C(CNC(=O)OCc1ccccc1)Oc2ccccc2"	0	""	""	2	1	"357740"	NA
"617263"	617263	"(4R,5S)-4-methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one"	"CC(C)C(=O)N1[C@H](C)[C@@H](OC1=O)c2ccccc2"	0	""	""	2	1	"357742"	NA
"617277"	617277	"Hexanal, 4-methyl-6-(phenylmethoxy)-"	"CC(CCOCc1ccccc1)CCC=O"	0	""	""	3	1	"357756"	NA
"617309"	617309	"benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate"	"COCOCC[C@@H]1CC=CC(NC(=O)OCc2ccccc2)C1\C=C\C(=O)CCC3OCCO3"	0	""	""	2	1	"5386713"	NA
"617318"	617318	"1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone"	"CCCCCC(=C)CN1CCCC1C(=O)C"	0	""	""	2	1	"357791"	NA
"617330"	617330	"RADNLYZNRNNWSG-UHFFFAOYSA-N"	"COCCCCCC(=O)CP(=O)(OC)OC"	0	""	""	2	1	"357802"	NA
"617347"	617347	"Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2"	"CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](N)CC(=O)N)C(C)C)C(=O)N"	0	""	""	1	1	"6711308"	NA
"617369"	617369	"[(E)-3-trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate"	"C\C=C(/CCOS(=O)(=O)c1ccc(C)cc1)\[Si](C)(C)C"	0	""	""	1	1	"357836"	NA
"617372"	617372	"4-methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine"	"CCCN1CCC=CC1"	0	""	""	1	1	"357839"	NA
"617381"	617381	"1-Phenyl-1,2,3,6-tetrahydropyridine"	"C1CN(CC=C1)c2ccccc2"	0	""	""	1	1	"357849"	NA
"617394"	617394	""	"COCCOCOC(C)(C)[C@H](CCOC(=O)C)O[Si](c1ccccc1)(c2ccccc2)C(C)(C)C"	0	NA	NA	1	1	"488037"	NA
"617412"	617412	"A818317"	"ClCc1ccc(cc1)C2OCCO2"	0	""	""	2	1	"357878"	NA
"617418"	617418	"1-(3-Iodopropyl)cyclopentane-1-carbonitrile"	"ICCCC1(CCCC1)C#N"	0	""	""	1	1	"357884"	NA
"617422"	617422	""	"CCCC[C@@H](OC(=O)N[C@H](C)c1ccccc1)C#C"	0	NA	NA	1	1	"488065"	NA
"617553"	617553	"dexniquldipine hcl"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)C"	0	""	""	2	1	"357904"	NA
"617562"	617562	""	"[Cl-].CC1=[N+]2NC(=O[Ni+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6cccnc6)c7cccnc7"	0	NA	NA	1	1	"580808"	NA
"617563"	617563	""	"[Cl-].CC1=[N+]2NC(=O[Cu+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6cccnc6)c7cccnc7"	0	NA	NA	1	1	"580809"	NA
"617564"	617564	"zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate"	"CC(=O)[O-].CC(=O)[O-][Zn+2]1234O=C(N[N+]1=C(C)c5cccc(C(=[N+]2NC(=O3)c6cccnc6)C)[n+]45)c7cccnc7"	0	""	""	2	2	"24202006"	NA
"617566"	617566	"manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid..."	"[Cl-].CC1=[N+]2NC(=O[Mn+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	5	2	"580811"	NA
"617567"	617567	"iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi..."	"[Cl-].CC1=[N+]2NC(=O[Fe+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	4	3	"580812"	NA
"617568"	617568	"2-hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate"	"CC1=[N+]2NC(=O[Fe+2]234(O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)[O-]S(=O)(=O)[O-])c7ccccc7O"	0	""	""	1	1	"24202007"	NA
"617569"	617569	""	"[Cl-].CC1=[N+]2NC(=O[Co+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	3	2	"580814"	NA
"617570"	617570	"nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi..."	"[Cl-].CC1=[N+]2NC(=O[Ni+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	5	2	"580815"	NA
"617571"	617571	""	"[Cl-].CC1=[N+]2NC(=O[Cu+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	3	1	"580816"	NA
"617572"	617572	""	"[Cl-].CC1=[N+]2NC(=O[Zn+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	1	1	"580817"	NA
"617573"	617573	"benzoic acid, 2-hydroxy-, (2,6-pyridinediyldiethylidyne)..."	"C\C(=N/NC(=O)c1ccccc1O)\c2cccc(n2)\C(=N\NC(=O)c3ccccc3O)\C"	0	NA	NA	5	3	"488089"	NA
"617574"	617574	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	"Oc1ccccc1C2=O[Mn+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569769"	NA
"617575"	617575	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	"[Cl-].Oc1ccccc1C2=O[Fe+3]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569770"	NA
"617576"	617576	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	"Oc1ccccc1C2=O[Fe+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569771"	NA
"617577"	617577	"cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Co+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569772"	NA
"617578"	617578	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	"Oc1ccccc1C2=O[Ni+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569773"	NA
"617579"	617579	"copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Cu+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569774"	NA
"617580"	617580	"zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Zn+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	"9569775"	NA
"617581"	617581	"ARONIS017955"	"Oc1ccccc1C(=O)N\N=C\c2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	"135455583"	NA
"617582"	617582	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	"Oc1ccccc1C2=O[Mn+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	2	1	"9569776"	NA
"617583"	617583	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	"[Cl-].Oc1ccccc1C2=O[Fe+3]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569777"	NA
"617584"	617584	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	"Oc1ccccc1C2=O[Fe+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569778"	NA
"617585"	617585	"cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Co+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569779"	NA
"617586"	617586	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	"Oc1ccccc1C2=O[Ni+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569780"	NA
"617587"	617587	"copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Cu+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569781"	NA
"617588"	617588	"zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Zn+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	"9569782"	NA
"617591"	617591	"meldola's blue"	"CN(C)c1ccc2cc3Nc4ccccc4Oc3cc2c1.Cl[Zn]Cl"	0	""	""	1	1	"357925"	NA
"617593"	617593	"Methylene Blue"	"CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	NA	NA	2	2	"488109"	NA
"617594"	617594	"goniothalamicin"	"CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCC(O)CC2=CC(C)OC2=O"	0	""	""	1	1	"357928"	NA
"617595"	617595	"Isoxazolyl-prodrug of distamycin (stallimycin)"	"CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4c(C)onc4c5ccccc5)cn3C)cn2C)cn1C"	0	""	""	1	1	"357929"	NA
"617602"	617602	"Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate"	"O=CC1CCC=CC1NC(=O)OCc2ccccc2"	0	""	""	1	1	"357934"	NA
"617603"	617603	"1,1-dimethylethyl methyl diester, (z, e)"	"COC(=O)\C(=C/Sc1ccccc1)\C=C\C(=O)OC(C)(C)C"	0	""	""	2	2	"5386766"	NA
"617609"	617609	"2-((Phenylthio)methylene)malononitrile"	"N#CC(=CSc1ccccc1)C#N"	0	""	""	1	1	"357940"	NA
"617623"	617623	""	"C\C=C(/CCC1NCCc2c1[nH]c3ccccc23)\[Si](C)(C)C"	0	NA	NA	2	1	"488139"	NA
"617634"	617634	""	"O=C(NC1CCC[C@H]1OC(=O)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"488150"	NA
"617636"	617636	""	"CC(C)(C)OC(=O)NC1CCC[C@H]1O"	0	NA	NA	1	1	"488152"	NA
"617639"	617639	"6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde"	"COC(OC)c1cc2OCOc2cc1C=O"	0	""	""	1	1	"357964"	NA
"617640"	617640	"5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole"	"CO\C=C\c1cc2OCOc2cc1C(OC)OC"	0	""	""	1	1	"5386778"	NA
"617644"	617644	"acetonitrile, [[[2-(1-phenylethenyl)-2-hydroxycyclobutyl..."	"O[C@@]1(CC[C@@H]1N(CC#N)Cc2ccccc2)C(=C)c3ccccc3"	0	NA	NA	3	1	"488160"	"96617231"
"617668"	617668	"b720389k237"	"COC1=CC(=O)N(C1Cc2ccccc2)C(=O)C(OC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)C(C)C"	0	NA	NA	7	5	"488180"	NA
"617669"	617669	""	"CCOC(=O)C(C)(NC(=O)c1ccc(NCc2ccc3nc(NC(=O)c4ccccc4)nc(NC(=O)c5ccccc5)c3c2)cc1)C(=O)OCC"	0	NA	NA	1	1	"488181"	NA
"617743"	617743	"pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-..."	"COc1ccc(cc1)c2cc(c3ccccc3)[n+](c4ccc(C)cc4)c(c2)c5ccccc5"	0	NA	NA	2	2	"488228"	NA
"617768"	617768	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid"	"OC(=O)\C=C\C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	3	2	"5386793"	NA
"617806"	617806	"1-Bromo-2-pentadecanone"	"CCCCCCCCCCCCCC(=O)CBr"	0	""	""	3	3	"125829"	NA
"617822"	617822	"(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride"	"C\C(=C/c1ccccc1)\C(=O)CCN2CCOCC2"	0	""	""	2	2	"5386794"	NA
"617823"	617823	"4-morpholinepentanoic acid, .alpha.-(phenylmethylene)- ...."	"CCOC(=O)\C(=C/c1ccccc1)\C(=O)CCN2CCOCC2"	0	""	""	4	4	"5386796"	NA
"617824"	617824	"4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride"	"O=C(CCN1CCOCC1)C(=Cc2ccccc2)C(=O)CCN3CCOCC3"	0	""	""	2	2	"358056"	NA
"617826"	617826	"(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride"	"O=C(CCN1CCOCC1)\C(=C\c2ccccc2)\c3ccccc3"	0	""	""	2	1	"5386798"	NA
"617844"	617844	"Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-"	"CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-]"	0	""	""	2	2	"135435952"	NA
"617846"	617846	"4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide"	"Cc1cc[n+]2CC[n+]3ccc(C)cc3c2c1"	0	""	""	2	1	"358067"	NA
"617930"	617930	"N-[2-(dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccc(O)cc3"	0	""	""	3	2	"358074"	NA
"617931"	617931	"N-[2-(dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccncc3"	0	""	""	1	1	"358076"	NA
"617932"	617932	"2-(4-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccc(Br)cc3"	0	""	""	2	1	"358078"	NA
"617936"	617936	"6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(Cl)cc2ccc(nc12)c3ccccc3"	0	""	""	2	1	"358086"	NA
"617937"	617937	"NIOSH/VD1581000"	"CN(C)CCNC(=O)c1cccc2ncc(nc12)c3ccccc3"	0	""	""	2	1	"358088"	NA
"617950"	617950	"N-[2-(dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccccc4"	0	""	""	1	1	"358111"	NA
"617951"	617951	"N-[2-(dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4cccnc4"	0	""	""	1	1	"358113"	NA
"617952"	617952	"N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccc(F)cc4"	0	""	""	1	1	"358115"	NA
"617953"	617953	"N-[2-(dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccncc4"	0	""	""	1	1	"358117"	NA
"617956"	617956	"N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride"	"CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Oc12"	0	""	""	2	1	"183394"	NA
"617957"	617957	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride"	"CN(C)CCNC(=O)c1cccc2Sc3ccccc3Nc12"	0	""	""	2	1	"183397"	NA
"617958"	617958	"4-acridinecarboxamide, n-[2-(dimethylamino)ethyl]-5- met..."	"CN(C)CCNC(=O)c1cccc2cc3cccc(C)c3nc12"	0	""	""	2	2	"358122"	NA
"617959"	617959	"N-[2-(dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride"	"COc1ccc2nc3c(cccc3cc2c1)C(=O)NCCN(C)C"	0	""	""	2	1	"358123"	NA
"617960"	617960	"N-[2-(dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12"	0	""	""	2	1	"358124"	NA
"617961"	617961	"N-[2-(dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(C)cc2cc3ccccc3nc12"	0	""	""	2	2	"358126"	NA
"617963"	617963	"N-[2-(dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3cc(C)ccc3nc12"	0	""	""	2	1	"358128"	NA
"617964"	617964	"N-[2-(dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3c(C)cccc3nc12"	0	""	""	2	1	"358130"	NA
"617965"	617965	"N-[2-(dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3ccc4ccccc4c3nc12"	0	""	""	2	1	"358132"	NA
"617966"	617966	"2-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12"	0	""	""	2	1	"358134"	NA
"617967"	617967	"N-[2-(dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1ccc(C)c2cc3ccccc3nc12"	0	""	""	1	1	"358135"	NA
"617969"	617969	"1,4-acridinedicarboxamide, n,n'-bis[2-(dimethylamino) et..."	"CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12"	0	""	""	2	1	"358138"	NA
"617971"	617971	"N-(2-aminoethyl)acridine-4-carboxamide;hydrochloride"	"NCCNC(=O)c1cccc2cc3ccccc3nc12"	0	""	""	2	2	"358141"	NA
"617976"	617976	"benzo(a)phenazine-8-carboxamide, n-[2-(dimethylamino)eth..."	"CN(C)CCNC(=O)c1cccc2nc3c(ccc4ccccc34)nc12"	0	""	""	4	2	"358150"	NA
"617977"	617977	"N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3ccc4ccccc4c3nc12"	0	""	""	1	1	"358152"	NA
"617979"	617979	"7-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3cc(Cl)ccc3nc12"	0	""	""	2	2	"358156"	NA
"617985"	617985	"N-[3-(dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride"	"CN(C)CCCNC(=O)c1cccc2nc3ccccc3nc12"	0	""	""	2	2	"358168"	NA
"617987"	617987	"N-[2-(dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3ccc4cccnc4c3nc12"	0	""	""	1	1	"358172"	NA
"617988"	617988	"dibenzo[a,c]phenazine-10-carboxamide, n-[2- (dimethylami..."	"CN(C)CCNC(=O)c1cccc2nc3c4ccccc4c5ccccc5c3nc12"	0	""	""	4	2	"358174"	NA
"617989"	617989	"3-deazaneplanocin, hydrochloride"	"Nc1nccc2c1ncn2C3C=C(CO)C(O)C3O"	0	NA	NA	17	11	"488343"	NA
"617999"	617999	"Azidopine"	"CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OCCNC(=O)c3ccc(cc3)N=[N+]=[N-])C"	0	""	""	3	1	"656406"	NA
"618048"	618048	"6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CCCCCNc4ccc(cc4[N+](=O)[O-])N=[N+]=[N-]"	0	""	""	2	2	"3003993"	NA
"618049"	618049	"4-azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4ccc(cc4)N=[N+]=[N-]"	0	""	""	3	2	"3003994"	NA
"618059"	618059	"1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride"	"O=C(CCN1CCOCC1)\C=C\c2ccccc2"	0	""	""	5	4	"5386805"	"84175279"
"618069"	618069	"7-chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine"	"ClCc1nnc2CSc3cc(Cl)ccc3n12"	0	""	""	2	1	"358192"	NA
"618070"	618070	"2-chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide"	"ClCC(=O)NNC1=Nc2ccc(Cl)cc2SC1"	0	""	""	2	2	"358193"	NA
"618077"	618077	"phenol, 4-ethyl-2-[(e)-[[3-[[3-[[(1e)-(2-hydroxy- 5-meth..."	"CCc1ccc2[O-][Co+3]34([O-]c5ccc(C)cc5C=[N+]3CCCN(C)CCC[N+]4=Cc2c1)[NH-]=[N+]=[N-]"	0	""	""	3	2	"5459108"	NA
"618093"	618093	"[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate"	"CC1OC(C=C(OC(=O)C)C1=O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	2	"358202"	NA
"618100"	618100	"(1R,4R)-1,4-bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione"	"COc1ccc(cc1)[C@@H]2OC(=O)C3[C@@H](OC(=O)C23)c4ccc(OC)cc4"	0	""	""	1	1	"358209"	NA
"618115"	618115	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/Cl)\c2ccc(OC)c(OC)c2)\C=O"	0	""	""	1	1	"5386811"	NA
"618116"	618116	"(E)-3-chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Cl)cc2)\Cl"	0	""	""	1	1	"5386812"	NA
"618120"	618120	"(E)-3-chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(Cl)cc2)\Cl"	0	""	""	1	1	"5386813"	NA
"618121"	618121	"2-propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	11	2	"3001008"	NA
"618123"	618123	"ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate"	"CCOC(=O)Cc1cc(OC)c(OC)cc1\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	1	1	"5386814"	NA
"618142"	618142	""	"Cn1cc[n+]2c1C[NH+]3Cc4[n+](ccn4C)[Cu+2]23([BrH3-])[BrH3-]"	0	NA	NA	1	1	"580828"	NA
"618144"	618144	"copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate"	"CC(=O)[O-][Cu+2]12[NH+](Cc3[n+]1ccn3C)Cc4[n+]2ccn4C.[O-]Cl(=O)(=O)=O"	0	""	""	1	1	"24202012"	NA
"618145"	618145	"Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate"	"Cn1cc[n+]2c1CN3Cc4[n+](ccn4C)[Cu+2]23([O-][N+](=O)[O-])[O-][N+](=O)[O-]"	0	""	""	1	1	"358228"	NA
"618201"	618201	"1,4-anthracenedione, 5-hydroxy-"	"Oc1c2C(=O)C=CC(=O)c2cc3ccccc13"	0	""	""	4	4	"358258"	"74553574"
"618207"	618207	"2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde"	"COc1cccc(C=O)c1C(=O)c2cc(O)ccc2O"	0	""	""	2	1	"358264"	NA
"618228"	618228	"1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol"	"Cc1ccc(cc1)S(=O)(=O)N2CCCCC2CCO"	0	""	""	1	1	"358286"	NA
"618229"	618229	"2-[(E)-4-chlorobut-2-enoxy]oxane"	"ClC\C=C\COC1CCCCO1"	0	""	""	1	1	"5386823"	NA
"618230"	618230	"(4aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile"	"N#CN1CC[C@@H]2CC3(CCC2C1)OCCO3"	0	""	""	1	1	"358288"	NA
"618231"	618231	"8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile"	"O=C(N1CCC2(CC1C#N)OCCO2)c3ccccc3"	0	""	""	1	1	"358289"	NA
"618234"	618234	"2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one"	"O=C(N1CCC2CC(=O)NCCC2C1)c3ccccc3"	0	""	""	1	1	"358292"	NA
"618235"	618235	"(4aR)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile"	"O=C(N1CC2CCC3(C[C@H]2CC1C#N)OCCO3)c4ccccc4"	0	""	""	2	1	"358293"	NA
"618236"	618236	"BIBSDXWBPGZTKL-UHFFFAOYSA-N"	"CCOC(=O)C=C1CCN(CC1)C(=O)c2ccccc2"	0	""	""	1	1	"358294"	NA
"618237"	618237	"1-Benzoyl-2-benzylpiperidine-2-carbonitrile"	"O=C(N1CCCCC1(Cc2ccccc2)C#N)c3ccccc3"	0	""	""	1	1	"358295"	NA
"618238"	618238	"Cmldbu00002581"	"COC(=O)C(C1CCCC(=O)C1)C(=O)OC"	0	""	""	1	1	"358296"	NA
"618239"	618239	"2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile"	"O=C(N1CCC2CC3(CCC2C1C#N)OCCO3)c4ccccc4"	0	""	""	1	1	"358297"	NA
"618240"	618240	"methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate"	"COC(=O)CC1C[C@H](C#N)N(C[C@@H]1CC[N+](=O)[O-])C(=O)c2ccccc2"	0	""	""	1	1	"358298"	NA
"618261"	618261	"2h-1-benzopyran, 6-methoxy-3-nitro-2-[2,2,2',2'-tetramet..."	"COc1ccc2OC(C3OC(C)(C)OC3C4COC(C)(C)O4)C(=Cc2c1)[N+](=O)[O-]"	0	""	""	3	2	"358300"	NA
"618262"	618262	"4,4,11,11-tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane"	"CC1(C)OC2OC(\C=C\[N+](=O)[O-])C3OC(C)(C)OC3C2O1"	0	""	""	2	2	"5386824"	NA
"618267"	618267	"1-diazo-N,N-dimethylmethanamine"	"CN(C)C=[N+]=[N-]"	0	""	""	1	1	"358305"	NA
"618270"	618270	"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one"	"CN1CN(C2OC(CO)C(O)C2O)C3=C1C(=O)NC(=N3)N"	0	""	""	1	1	"135422750"	NA
"618272"	618272	"UWHFXNUVALKMIU-UHFFFAOYSA-N"	"CC(=CC(=O)Oc1ccc(cc1)[N+](=O)[O-])C"	0	""	""	1	1	"358311"	NA
"618296"	618296	"2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one"	"O=C1C=CC=CC=C1NCCCCCCCCCNC2=CC=CC=CC2=O"	0	""	""	1	1	"358331"	NA
"618298"	618298	"2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one"	"O=C1C=CC=CC=C1NCCCCCCCCNC2=CC=CC=CC2=O"	0	""	""	1	1	"358333"	NA
"618305"	618305	"STK699265"	"Cc1ccccc1C(=O)Oc2ccc(OCc3ccccc3)cc2"	0	""	""	1	1	"358340"	NA
"618308"	618308	"DA-23553"	"COc1ccc(O)c(C#N)c1C#N"	0	""	""	1	1	"358343"	NA
"618313"	618313	"(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate"	"CC(=O)Oc1ccc(O)c2CCCCc12"	0	""	""	2	1	"358348"	NA
"618314"	618314	"ghl.PD_Mitscher_leg0.158"	"COC12CCC(C=C1)c3c(O)ccc(O)c23"	0	""	""	2	1	"358349"	NA
"618315"	618315	"1,4-Naphthalenedione, 5-methoxy-"	"COc1cccc2C(=O)C=CC(=O)c12"	0	""	""	3	3	"123220"	NA
"618317"	618317	"1,4-Bis(2-ethoxyethoxy)benzene"	"CCOCCOc1ccc(OCCOCC)cc1"	0	""	""	2	2	"358350"	NA
"618319"	618319	"1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene"	"COCCOCOc1ccc(OCc2ccccc2)cc1"	0	""	""	2	1	"358352"	NA
"618332"	618332	"1,4-naphthalenedione, 2,3-diphenyl-"	"BrC1=C(Br)C(=O)c2ccccc2C1=O"	0	NA	NA	4	2	"488543"	"13243657"
"618403"	618403	"N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide"	"Cc1ccc2nc([nH]c2c1)\C(=C\c3ccc(\C=C(/NC(=O)c4ccccc4)\c5nc6ccc(C)cc6[nH]5)c(C)c3)\NC(=O)c7ccccc7"	0	""	""	1	1	"5386833"	NA
"618447"	618447	"methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate"	"COC(=O)N\N=C(\CC1(O)C(=O)Nc2ccc(cc12)[N+](=O)[O-])/c3ccccc3"	0	""	""	2	1	"9555771"	NA
"618487"	618487	"Staurosporine"	"CN[C@H]1C[C@@H]2OC(C)([C@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35"	0	"PK:PRKCA,SRC,Multikinase"	"Clinical trial"	7	3	"-1"	NA
"618489"	618489	"methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate"	"COC(=O)N\N=C(/C)\C1=C(O)C=C(C)OC1=O"	0	""	""	1	1	"135455594"	NA
"618495"	618495	""	"NC(=N)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	"488664"	NA
"618500"	618500	"Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate"	"COC(=O)CCC(=O)C(C#N)c1ccc(Cl)cc1Cl"	0	""	""	1	1	"358492"	NA
"618541"	618541	"STK544180"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccc3)C(=O)Nc4ccccc4"	0	""	""	1	1	"358533"	NA
"618571"	618571	"Isoannonacin"	"CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC2CC(CC(=O)C)C(=O)O2"	0	""	""	3	2	"128014"	NA
"618605"	618605	"2-butenoic acid, 2,3-dichloro-4-[(2,6-diethylphenyl) ami..."	"CCc1cccc(CC)c1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	""	""	3	1	"9948812"	NA
"618619"	618619	"N-[(Z)-2-[2-[(Z)-2-acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide"	"CC(=O)N\C(=C/c1ccccc1\C=C(/NC(=O)C)\c2nc3cc(C)c(C)cc3[nH]2)\c4nc5cc(C)c(C)cc5[nH]4"	0	""	""	1	1	"5386905"	NA
"618621"	618621	"N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide"	"Clc1ccc(\C=C(\NC(=O)c2ccccc2)/c3nc4ccccc4s3)c(Cl)c1"	0	""	""	1	1	"5386906"	NA
"618622"	618622	"4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene"	"CC(C)(C)c1cc2nc(c1)C(OB(Br)OC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358615"	NA
"618630"	618630	"1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol"	"OC(c1ccccc1Br)(c2ccccc2Br)C(F)(F)F"	0	""	""	1	1	"358622"	NA
"618631"	618631	"5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene"	"CC(=C)c1cc(cc(C(=C)C)c1S(=O)(=O)C)C(C)(C)C"	0	""	""	1	1	"358623"	NA
"618635"	618635	"3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane"	"CC12O[Te]34OC(C)(C1(C)O3)C2(C)O4"	0	""	""	1	1	"358627"	NA
"618636"	618636	"1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol"	"CC1(O)C(C)(O)C2(C)O[Te]3(OC4(C)C(C)(O)C(C)(O)C4(C)O3)OC12C"	0	""	""	1	1	"358628"	NA
"618641"	618641	"7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium"	"CC(C)(C)[Si-]12(OC(c3ccccc13)(C(F)(F)F)C(F)(F)F)OC(c4ccccc24)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358630"	NA
"618642"	618642	"6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one"	"CC(C)(C)c1cc(c2c(c1)C(OC23c4ccccc4C(=O)c5ccccc35)(C(F)(F)F)C(F)(F)F)C(OCCl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358632"	NA
"618645"	618645	"2-[2,6-ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)c1cc(c2NC(C)(OC(c2c1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358635"	NA
"618646"	618646	"2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)C1Nc2c(cc(cc2C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358636"	NA
"618647"	618647	"2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)c1cc(c2NC(OC(c2c1)(C(F)(F)F)C(F)(F)F)(c3ccccc3)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"358637"	NA
"618654"	618654	"Ammonium Trichlorotellurate"	"N.[ClH-][Te+4]1([ClH-])([ClH-])[O-]CC[O-]1"	0	NA	NA	1	1	"488819"	NA
"618659"	618659	"2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate"	"CCc1cccc(C(C)C)c1NC2=C(C(=O)c3ccccc3C2=O)[n+]4ccc(C)cc4"	0	""	""	2	2	"24202023"	NA
"618757"	618757	"piperidinium, 3,5-bis[4-[(dimethylamino)phenyl]methylene..."	"CN(C)c1ccc(\C=C\2/C[N+](C)(C)C\C(=C/c3ccc(cc3)N(C)C)\C2=O)cc1"	0	""	""	3	3	"5386914"	"122864737"
"618758"	618758	"(E)-5-(dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide"	"CN(C)CC(C)(C)C(=O)\C=C\c1ccc(\C=C\C(=O)C(C)(C)CN(C)C)cc1"	0	""	""	1	1	"5386916"	NA
"618759"	618759	"4-penten-3-one, 5,5'-(1,4-phenylenbis)bis[2,2-dimethyl- ..."	"CC(C)(CN1CCCCC1)C(=O)\C=C\c2ccc(\C=C\C(=O)C(C)(C)CN3CCCCC3)cc2"	0	""	""	4	4	"5386918"	NA
"618760"	618760	"(E)-1-[4-[(E)-4,4-dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide"	"CC(C)(CN1CCOCC1)C(=O)\C=C\c2ccc(\C=C\C(=O)C(C)(C)CN3CCOCC3)cc2"	0	""	""	1	1	"5386920"	NA
"618763"	618763	"(E)-1-(diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide"	"CCN(CC)CC(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	"5386925"	NA
"618765"	618765	"(E)-5-(dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide"	"CN(C)CCC(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	"5386929"	NA
"618766"	618766	"(E)-5-(diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide"	"CCN(CC)CC(C)C(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	"5386931"	NA
"618768"	618768	"(3E,5E)-3,5-dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide"	"C[N+]1(C)C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	1	1	"5386935"	NA
"618770"	618770	"piperidin-4-ol, n-ethyl-n-methyl-3-(1-oxo-3-phenyl-2-pro..."	"CC[N+]1(C)CCC(O)(\C=C\c2ccccc2)C(C1)C(=O)\C=C\c3ccccc3"	0	""	""	4	4	"5386939"	NA
"618824"	618824	""	"[Cl-][Fe+3]12([Cl-])(S=C3C=CC=C[N-]13)[O]=P(CP(=[O]2)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	1	1	"488923"	NA
"618826"	618826	""	"[Cl-][Cu+2]1(S=C2C=CC=CN2[O-]1)P(CCCCP(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	1	"488925"	NA
"618857"	618857	"4-piperidinone, 3,5-bis[[(4-methylthio)phenyl]methylene]..."	"CSc1ccc(\C=C\2/CNC\C(=C/c3ccc(SC)cc3)\C2=O)cc1"	0	NA	NA	5	2	"488954"	NA
"618861"	618861	"8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(cc(OC)c1OC)C2C3=C(CCC3=O)Oc4cc5OCOc5cc24"	0	""	""	1	1	"358792"	NA
"618862"	618862	"furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxole-8-one, 6,9..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	4	2	"358793"	NA
"618927"	618927	"Demethylnobiletin"	"COc1ccc(cc1OC)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	"358832"	NA
"618928"	618928	"3-Methoxynobiletin"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"150893"	NA
"618932"	618932	"MEGxp0_000612"	"COC1=C(Oc2c(OC)c(O)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	""	""	2	2	"5386961"	NA
"618933"	618933	"LMPK12113330"	"COC1=C(Oc2c(OC)c(O)c(OC)c(O)c2C1=O)c3ccc(O)c(O)c3"	0	""	""	1	1	"5386962"	NA
"618935"	618935	"07JTS22V9J"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	2	2	"136417"	NA
"618939"	618939	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)CN(C)C)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	5	5	"-1"	NA
"619003"	619003	"MX2 HCl"	"CC[C@@]1(O)CC(OC2CC(C(O)C(C)O2)N3CCOCC3)c4c(O)c5C(=O)c6c(O)cccc6C(=O)c5c(O)c4[C@H]1O"	0	""	""	23	12	"5351347"	NA
"619007"	619007	"2,3',3''-SEtNMe2-4,6-diPh-Pyr"	"CN(C)CCSc1cccc(c1)c2cc(nc(SCCN(C)C)n2)c3cccc(SCCN(C)C)c3"	0	""	""	1	1	"358880"	NA
"619012"	619012	"RD3GVR673P"	"CN1CCN(CCSc2ncc(C)c(n2)c3cc4ccccc4s3)CC1"	0	""	""	1	1	"358883"	NA
"619013"	619013	"2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine"	"CN(C)CCSc1nccc(n1)c2cc3ccccc3s2"	0	""	""	1	1	"358884"	NA
"619029"	619029	"carzelesin"	"CCN(CC)c1ccc2cc(oc2c1)C(=O)Nc3ccc4[nH]c(cc4c3)C(=O)N5CC(CCl)c6c5cc(OC(=O)Nc7ccccc7)c8[nH]cc(C)c68"	0	NA	NA	2	1	"489094"	"119813104"
"619030"	619030	"analog of cc-1065"	NA	0	NA	NA	2	2	"489095"	NA
"619031"	619031	"analog of cc-1065"	NA	0	NA	NA	3	2	"489096"	NA
"619042"	619042	"cyclohexanone, 2,6-bis[(dimethylamino)methyl]-, dihydroc..."	"CN(C)CC1CCCC(CN(C)C)C1=O"	0	NA	NA	7	7	"489097"	NA
"619102"	619102	"4-methoxy-1,5-benzothiazepine-1,1-dioxide"	"COC1=Nc2ccccc2S(=O)(=O)C=C1"	0	""	""	3	2	"358940"	"111888325"
"619103"	619103	"thymidine, 3'-azido-5-bromo-3'-deoxy-5,6-dihydro-6-methoxy-"	"OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO"	0	NA	NA	1	1	"489152"	NA
"619147"	619147	"SR 4482"	"[O-][n+]1cn[n+]([O-])c2ccccc12"	0	""	""	1	1	"358960"	NA
"619156"	619156	"3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone"	"Cc1nn(c(S)c1C(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	"4989771"	NA
"619161"	619161	"3-phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione"	"S=C1ON=C(/C/1=C/Nc2ccccc2)c3ccccc3"	0	""	""	1	1	"3259678"	NA
"619164"	619164	"Deplancheine"	"C\C=C\1/CCC2N(CCc3c2[nH]c4ccccc34)C1"	0	""	""	1	1	"5386990"	NA
"619166"	619166	"(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine"	"C\C=C/1\CCC2N(CCc3c2[nH]c4ccccc34)C1"	0	""	""	1	1	"5386991"	NA
"619171"	619171	"F9994-6556"	"FC(F)(F)C(=O)NC1CCCC1=O"	0	""	""	1	1	"358975"	NA
"619173"	619173	""	"CC(C)(C)OC(=O)N1C2CCCC23O[C@@H]1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"489198"	NA
"619178"	619178	"Antineoplastic-619178"	"[O-]C(C([O-])C(=O)[O-])C(=O)[O-].c1ccc(cc1)c2cc[n+]3c4c2ccc5c(cc[n+](c45)[Co+3]367([n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]6c%11c8%10)c%12ccccc%12)[n+]%13ccc(c%14ccccc%14)c%15ccc%16c(cc[n+]7c%16c%13%15)c%17ccccc%17)c%18ccccc%18"	0	""	""	1	1	"24202028"	NA
"619184"	619184	""	"[ClH-][Ru+2]12([ClH-])([n+]3ccc(c4ccccc4)c5ccc6c(cc[n+]1c6c35)c7ccccc7)[n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]2c%11c8%10)c%12ccccc%12"	0	NA	NA	1	1	"580861"	NA
"619187"	619187	""	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].c1ccc2c(c1)C3=[NH+][Ru+2]45([NH+]=C6C(=[NH+]4)c7ccccc7c8ccccc68)([NH+]=C3c9ccccc29)[n+]%10ccccc%10c%11cccc[n+]5%11"	0	NA	NA	1	1	"580864"	NA
"619192"	619192	"5-Amino-2-glyceryl-1,2,4-thiadiazol-3-one"	"NC1=NC(=O)N(CC(O)CO)S1"	0	""	""	1	1	"358985"	NA
"619195"	619195	"4-N-[12-[(2-amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-2,4-diamine"	"Nc1nc(Cl)cc(NCCCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	"358988"	NA
"619196"	619196	"4-N-[12-[(5-amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine"	"Nc1c(Cl)ncnc1NCCCCCCCCCCCCNc2ncnc(Cl)c2N"	0	""	""	1	1	"358989"	NA
"619214"	619214	"dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate"	"COC(=O)C1[C@@H](c2cc(OC)c(OC)c(OC)c2)c3c(OC)c(OC)c(OC)cc3C=C1C(=O)OC"	0	""	""	1	1	"359002"	NA
"619216"	619216	"dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate"	"COC(=O)C1[C@@H](c2ccc3OCOc3c2)c4cc5OCOc5cc4C=C1C(=O)OC"	0	""	""	1	1	"359004"	NA
"619217"	619217	"methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate"	"COC(=O)C1=C(O)c2cc3OCOc3cc2[C@@H](C1)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"54676212"	NA
"619222"	619222	"Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(OC(C1)c2ccc3OCOc3c2)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"359010"	NA
"619223"	619223	"Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(OC(C1)c2cc(OC)c(OC)c(OC)c2)c3ccc4OCOc4c3"	0	""	""	1	1	"359011"	NA
"619230"	619230	"20-amino-20-deoxy-20(rs)-camptothecin"	"CCC1(N)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	"440812185"	NA
"619232"	619232	"9-glycinamido-20(rs)-camptothecin hydrochloride"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CN)cccc5nc34)C2=O"	0	"TOP1"	""	4	4	"-1"	NA
"619296"	619296	""	"CC1CCCCN1C2=S[Pd+2]3([SH-]C(=S3)N4CCCCC4C)[SH-]2"	0	NA	NA	1	1	"489247"	NA
"619298"	619298	""	"CC1CCN(CC1)C2=S[Pt+2]3([SH-]C(=S3)N4CCC(C)CC4)[SH-]2"	0	NA	NA	1	1	"489249"	NA
"619301"	619301	""	"CC1CCN(CC1)C2=S[Ir+3]34([SH-]C(=S3)N5CCC(C)CC5)([SH-]C(=S4)N6CCC(C)CC6)[SH-]2"	0	NA	NA	1	1	"489252"	NA
"619310"	619310	""	"CC1CCCN(C1)C2=S[Cu+2]3([SH-]C(=S3)N4CCCC(C)C4)[SH-]2"	0	NA	NA	2	2	"489255"	NA
"619311"	619311	""	"CC1CCN(CC1)C2=S[Cu+2]3([SH-]C(=S3)N4CCC(C)CC4)[SH-]2"	0	NA	NA	1	1	"489256"	NA
"619321"	619321	""	"C1CN(CCO1)C2=S[Cu+2]3([SH-]C(=S3)N4CCOCC4)[SH-]2"	0	NA	NA	3	2	"489266"	NA
"619324"	619324	""	"CN1CCN(CC1)C2=S[Cu+2]3([SH-]C(=S3)N4CCN(C)CC4)[SH-]2"	0	NA	NA	4	2	"489269"	NA
"619378"	619378	"1,3,5-triazin-4-one, 4,5-dihydro-2-amino- 5-.beta.-d-ara..."	"[Li+].NC1=NC(=O)N(C=N1)C2OC(COP(=O)(O)O)C(O)C2O"	0	NA	NA	3	3	"489271"	NA
"619390"	619390	""	"Oc1cccc(\C=C\2/COc3ccccc3C2=O)c1"	0	NA	NA	2	2	"489282"	NA
"619531"	619531	"2-Chloro-2',3'-dideoxyadenosine"	"Nc1nc(Cl)nc2c1ncn2C3CCC(CO)O3"	0	NA	NA	1	1	"489311"	NA
"619533"	619533	"9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester"	"COC(=O)c1cc(c2cccn2C)c3c(c1C(=O)OC)c4ccccc4n3C"	0	""	""	1	1	"359066"	NA
"619674"	619674	"5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione"	"O=C(C#CC1=CNC(=O)NC1=O)c2ccccc2"	0	""	""	1	1	"359098"	NA
"619675"	619675	"SC-28992"	"Clc1ccccc1C(=O)C#CC2=CNC(=O)NC2=O"	0	""	""	1	1	"359099"	NA
"619677"	619677	"5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione"	"COc1ccc(cc1)C(=O)C#CC2=CNC(=O)NC2=O"	0	""	""	2	2	"359101"	NA
"619688"	619688	"8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1ccc(cc1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	1	1	"359106"	NA
"619830"	619830	"2-Thioxo-5-benzyl-5-methylimidazolidine-4-one"	"CC1(Cc2ccccc2)NC(=S)NC1=O"	0	""	""	1	1	"3765805"	NA
"619837"	619837	"6-Bromo-3H-1,2,3-benzodithiazole-2-oxide"	"Brc1ccc2NS(=O)Sc2c1"	0	""	""	1	1	"359157"	NA
"619859"	619859	"1h-3-benzazepin-2-one, 2,3,4,5-tetrahydro-7,8-dimethoxy-..."	"COc1cc2CCN(Cc3cccc(OC)c3OC)C(=O)C(SC)c2cc1OC"	0	""	""	5	2	"359177"	NA
"619860"	619860	"benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2h,6h)-tetraimine"	"N=C1NC(=N)c2cc3C(=N)NC(=N)c3cc12"	0	""	""	3	3	"359178"	NA
"619874"	619874	"2,4-Dimethoxy-3-phenylmethoxybenzamide"	"COc1ccc(C(=O)N)c(OC)c1OCc2ccccc2"	0	""	""	1	1	"359192"	NA
"619875"	619875	"5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole"	"CC1(SCCCS1)c2cc3OCOc3cc2Br"	0	""	""	1	1	"359193"	NA
"619876"	619876	"5-[Bis(ethylsulfanyl)methyl]-6-bromo-1,3-benzodioxole"	"CCSC(SCC)c1cc2OCOc2cc1Br"	0	""	""	1	1	"359194"	NA
"619904"	619904	"3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one"	"CN(C)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3)N(C)C)\C2=O)cc1"	0	""	""	1	1	"5387024"	NA
"619905"	619905	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid"	"OC(=O)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	2	2	"5387025"	NA
"619906"	619906	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester"	"COC(=O)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	1	1	"5387026"	NA
"619913"	619913	"1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole"	"Cn1c(cc(c2cccs2)c1c3cccs3)c4ccccc4"	0	""	""	2	1	"359203"	NA
"619937"	619937	"ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate"	"CCOC(=O)\C=C\1/CCCC12OCCO2"	0	""	""	1	1	"5387033"	NA
"619939"	619939	"Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate"	"COC(=O)C1CC(OC(=O)C)C=C2C1CCC2=O"	0	""	""	1	1	"359230"	NA
"619946"	619946	"N-(4-tert-butyl-1-ethenylcyclohexyl)benzamide"	"CC(C)(C)C1CCC(CC1)(NC(=O)c2ccccc2)C=C"	0	""	""	2	1	"359237"	NA
"619961"	619961	"primaquine diphosphate"	"COc1cc(NC(C)CCCN)c2ncccc2c1"	0	NA	NA	4	1	"489497"	NA
"619972"	619972	"6-ethoxy-3,6-dihydro-2H-pyran"	"CCOC1OCCC=C1"	0	""	""	1	1	"359256"	NA
"619981"	619981	"[(5E,9E)-11-chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate"	"C\C(=C/CC\C(=C\C(CC(=C)CO)OC(=O)C)\C)\CCl"	0	""	""	1	1	"5387049"	NA
"619990"	619990	"(Z)-3-iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol"	"OC\C=C(/I)\CCCOCOCc1ccccc1"	0	""	""	1	1	"5387054"	NA
"620050"	620050	"GNF-Pf-1921"	"COC(=O)CS(=O)c1ccccc1"	0	""	""	1	1	"84191"	NA
"620055"	620055	"1,2-benzo-8-(2-aminoethyl)-3-phenoxazone"	"NCCc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1"	0	""	""	2	2	"359305"	NA
"620056"	620056	"1h-benzocycloheptene-1,4,7-trione, 4,7-dihydro-"	"O=C1C=CC2=C(C=C1)C(=O)C=CC2=O"	0	""	""	3	3	"359306"	NA
"620077"	620077	"HOWZFOFUOIGPRL-UHFFFAOYSA-N"	"OC1CC(=O)C(=C1)Nc2ccc(Cl)cc2"	0	""	""	1	1	"359314"	NA
"620107"	620107	"pentamidine isethionate"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	"FDA approved"	1	1	"-1"	"140647"
"620109"	620109	"propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester"	"COC(=O)C(CBr)CBr"	0	""	""	5	4	"140895"	NA
"620124"	620124	"SWNKZFSGGJUUGT-UHFFFAOYSA-N"	"C[Si](C)(C)OCC#C[Si](C)(C)C"	0	""	""	2	2	"359338"	NA
"620129"	620129	"propanenitrile, 2-chloro-3-(phenylsulfonyl)-"	"ClC(CS(=O)(=O)c1ccccc1)C#N"	0	""	""	4	3	"121458"	NA
"620256"	620256	"6h-pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-..."	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13.[ClH-][Pt+2]([ClH-])([ClH-])[ClH-]"	0	""	""	2	2	"6477738"	NA
"620257"	620257	"6h-pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ..."	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.[ClH-][Pt+2]([ClH-])([ClH-])[ClH-]"	0	""	""	2	2	"3005580"	NA
"620258"	620258	"9-succinamido-20(rs)-camptothecin, sodium salt"	"[Na+].CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CCC(=O)O)cccc5nc34)C2=O"	0	"TOP1"	""	3	3	"-1"	NA
"620277"	620277	"4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline"	"Fc1ccc(cc1)\N=C/c2ccc(cc2)N(CCC#N)CCC#N"	0	""	""	3	2	"359414"	NA
"620278"	620278	"3-[N-(2-cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile"	"COc1ccc(cc1)\N=C/c2ccc(cc2)N(CCC#N)CCC#N"	0	""	""	4	3	"359415"	NA
"620315"	620315	"6-nitro-1-phenyl-9H-pyrido[3,4-b]indole"	"[O-][N+](=O)c1ccc2[nH]c3c(nccc3c2c1)c4ccccc4"	0	""	""	2	2	"359450"	NA
"620317"	620317	"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-"	"Nc1ccc2[nH]c3c(nccc3c2c1)c4ccccc4"	0	""	""	2	1	"359452"	NA
"620319"	620319	"9h-pyrido[3,4-b]indol-8-amine, n-(2,4-dinitrophenyl)- 1-..."	"[O-][N+](=O)c1ccc(Nc2cccc3c4ccnc(c5ccccc5)c4[nH]c23)c(c1)[N+](=O)[O-]"	0	""	""	2	1	"3406978"	NA
"620322"	620322	"4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine"	"CSc1nc(SC)c2cnn(CC3CO3)c2n1"	0	""	""	2	1	"359457"	NA
"620323"	620323	"methyl (E)-2-acetyl-5-phenylhex-4-enoate"	"COC(=O)C(C\C=C(/C)\c1ccccc1)C(=O)C"	0	""	""	2	1	"5387097"	NA
"620324"	620324	"methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate"	"COC(=O)C(C\C=C(/C)\c1ccc(Cl)cc1)C(=O)C"	0	""	""	2	1	"5387098"	NA
"620325"	620325	"spiro[cyclohexane-1,9'-naphtho[1',2':4,5]furo[2,3-d][1,3..."	"COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3C1C(=O)C=CC2=O"	0	""	""	5	2	"359460"	NA
"620326"	620326	"(E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine"	"C(O\N=C\1/CCCc2ccccc12)C3CO3"	0	""	""	1	1	"5932316"	NA
"620327"	620327	"carbonimidodithioic acid, [5-(4-nitrophenyl)-1,3,4- thia..."	"CSC(=Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-])SC"	0	""	""	4	1	"359462"	NA
"620330"	620330	"7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene"	"CN1CCc2c1nc(c3CCN(C)c23)c4ccc(Cl)cc4"	0	""	""	1	1	"359465"	NA
"620333"	620333	"2-(6-amino-9h-purin-9-yl)-5-((4-chlorobenzylthio)methyl)..."	"Nc1ncnc2c1ncn2C3OC(CSCc4ccc(Cl)cc4)C(O)C3O"	0	""	""	1	1	"359468"	NA
"620358"	620358	"methyl 13-hydroxy-15-oxo-kaurenoate"	"COC(=O)C1(C)CCCC2(C)[C@@H]1CCC34CC(O)(CC[C@@H]23)C(=C)C4=O"	0	""	""	2	2	"359473"	NA
"620462"	620462	"NIOSH/BR9826000"	"C[N+](C)(C)CC1CCCCC1=O"	0	""	""	1	1	"359483"	NA
"620465"	620465	"2-[(E)-[(2-hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol"	"COc1cccc(\C=N\C(\N=C\c2cccc(OC)c2O)c3cccc(OC)c3O)c1O"	0	""	""	1	1	"135455640"	NA
"620480"	620480	"3-aza-a-homoandrost-4a-en-4-one, 17-[[[4-[bis(2-chloroet..."	"C[C@]12CCC3[C@@H](CCC4=CC(=O)NCC[C@]34C)C1CC[C@@H]2OC(=O)COc5ccc(cc5)N(CCCl)CCCl"	0	NA	NA	3	3	"489770"	NA
"620487"	620487	"3-[18-[3-(diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide"	"CCN(CC)C(=O)CCC1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)N(CC)CC)c5C)c(C)c4C=C)c(C)c3C=C"	0	""	""	1	1	"359506"	NA
"620514"	620514	"1,4-naphthalenedione, 7-(benzoyloxy)-5-methoxy-"	"COc1cc(OC(=O)c2ccccc2)cc3C(=O)C=CC(=O)c13"	0	""	""	5	4	"359531"	NA
"620515"	620515	"1,4-naphthalenedione, 2-chloro-8-hydroxy-6-methoxy-7-met..."	"COc1cc2C(=O)C=C(Cl)C(=O)c2c(O)c1C"	0	""	""	4	4	"359532"	NA
"620517"	620517	"naphtho[2,1-b]furan-6,9-dione, 7-chloro-1,2-dihydro- 5-h..."	"COC1(C)Cc2c(O1)c(C)c(O)c3C(=O)C(=CC(=O)c23)Cl"	0	""	""	3	3	"359534"	NA
"620520"	620520	"1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde"	"O=CC1=CCCC2(C1)OCCO2"	0	""	""	1	1	"359537"	NA
"620569"	620569	"(5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one"	"CC1CC2OC(=O)CC2C[C@@H]1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	"359577"	NA
"620573"	620573	"Bestmann Ylide"	"O=C=C=P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"359581"	NA
"620580"	620580	"1'-phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one"	"O=C1OC(C2CC3CC4(CCC3CN12)OCCO4)c5ccccc5"	0	""	""	1	1	"359586"	NA
"620581"	620581	"(1'R,8'aS)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one"	"O=C1O[C@@H]([C@@H]2CC3(CCN12)OCCO3)c4ccccc4"	0	""	""	1	1	"359587"	NA
"620595"	620595	"bullatacinone"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H](O1)[C@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCC[C@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	1	1	"5459112"	NA
"620616"	620616	"tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate"	"CCOP(=O)(C\C(=C\1/C(=O)C(CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)\O)OCC"	0	""	""	1	1	"54676215"	NA
"620621"	620621	"sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate"	"CCOP(=O)(C\C(=C\1/C(=O)C(CCCNC(=O)OC(C)(C)C)N(Cc2ccc(OC)c(OC)c2)C1=O)\O)OCC"	0	""	""	1	1	"54708176"	NA
"620635"	620635	".beta.-d-ribofuranosylamine, n-(8-methoxypyrimido[5,4-d]..."	"COc1ncnc2c(NC3OC(CO)C(O)C3O)ncnc12"	0	NA	NA	2	2	"489892"	"118515483"
"620674"	620674	"[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	"COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(OS(=O)(=O)c3ccc(C)cc3)C(COS(=O)(=O)c4ccc(C)cc4)O1"	0	""	""	1	1	"359615"	NA
"620676"	620676	"[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate"	"COC1OC(C)C(OC(=O)C(C)(C)C)C(OS(=O)(=O)c2ccc(C)cc2)C1OS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"359617"	NA
"620678"	620678	"[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	"COC1OC(COS(=O)(=O)c2ccc(C)cc2)C(O)C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"359619"	NA
"620687"	620687	"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate"	"CC1(C)OC2OC(COC(=O)C(c3ccccc3)c4ccccc4)C5OC(C)(C)OC5C2O1"	0	""	""	2	1	"359628"	NA
"620753"	620753	"bch-189"	"NC1=NC(=O)N(C=C1)C2CSC(CO)O2"	0	NA	NA	11	1	"489929"	NA
"621095"	621095	"4-[[1-[3-(4-fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid"	"OC(=O)c1ccc(cc1)N=NC2C(=O)N(N=C2c3ccccc3)C(=O)CC(=O)Nc4ccc(F)cc4"	0	""	""	1	1	"359681"	NA
"621097"	621097	"Citreopyrone B"	"COC1=CC(=O)OC(=C1C)\C=C\C=O"	0	""	""	1	1	"5387141"	NA
"621179"	621179	"spiro[3h-indole-3,2'-oxirane]-2-one, 3'- (4-chlorophenyl..."	"Clc1ccc(cc1)C(=O)C2OC23C(=O)Nc4ccccc34"	0	""	""	3	3	"359733"	NA
"621184"	621184	"3'-benzoylspiro[1H-indole-3,2'-oxirane]-2-one"	"O=C(C1OC12C(=O)Nc3ccccc23)c4ccccc4"	0	""	""	1	1	"359738"	NA
"621196"	621196	"4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1cc(Cl)c2ns[s+]c2c1Cl"	0	""	""	1	1	"359752"	NA
"621197"	621197	"Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride"	"CCOC(=N)CC(=O)Nc1cccc(Cl)c1"	0	""	""	1	1	"359754"	NA
"621198"	621198	"6-Bromo-1,2,3-benzodithiazol-1-ium;chloride"	"Brc1ccc2ns[s+]c2c1"	0	""	""	2	2	"359756"	NA
"621199"	621199	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine"	"[O-][N+](=O)c1ccc(Cl)c(c1)C2CC(=Nc3ccccc3S2)c4cccc5ccccc45"	0	""	""	2	2	"359758"	NA
"621321"	621321	""	"[ClH-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"490058"	NA
"621322"	621322	""	"[BrH3-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"490059"	NA
"621324"	621324	""	"[R][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"490061"	NA
"621325"	621325	""	"C=CC[CH2-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"580910"	NA
"621326"	621326	""	"C[S+](C)[CH2-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	1	1	"580911"	NA
"621331"	621331	""	"COC(=[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8)C.[F-][B+3]([F-])([F-])[F-]"	0	NA	NA	1	1	"490064"	NA
"621332"	621332	""	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[O+]#[N+][Re+]12345(C=S1)([C-]6C2=C3C4=C56)P(c7ccccc7)(c8ccccc8)c9ccccc9"	0	NA	NA	2	2	"580914"	NA
"621334"	621334	""	"COC([O-])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	"490066"	NA
"621335"	621335	""	"[O-]C(O[Ge](c1ccccc1)(c2ccccc2)c3ccccc3)[Re+]4567([N+]#[O+])([C-]8C4=C5C6=C78)P(c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	1	1	"490067"	NA
"621336"	621336	""	"[O-]C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)[Re+]4567([N+]#[O+])([C-]8C4=C5C6=C78)P(c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	2	2	"490068"	NA
"621337"	621337	""	"C[Sn](C)(C)OC([O-])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"490069"	NA
"621339"	621339	""	"[R][Pb+2]([R])([R])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	"490070"	NA
"621343"	621343	"5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1cc2ns[s+]c2cc1Cl"	0	""	""	2	2	"359774"	NA
"621351"	621351	"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	"Fc1ccccc1C2CC(=Nc3ccccc3S2)c4ccc5ccccc5c4"	0	""	""	1	1	"359787"	NA
"621352"	621352	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide"	"[O-][N+](=O)c1ccc(Cl)c(c1)C2CC(=Nc3ccccc3S2=O)c4cccc5ccccc45"	0	""	""	2	2	"359788"	NA
"621353"	621353	"Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride"	"CCOC(=N)CC(=O)Nc1cccc(C)c1C"	0	""	""	1	1	"359789"	NA
"621360"	621360	"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4Cl"	0	""	""	2	2	"359799"	NA
"621364"	621364	"STK054077"	"[O-][N+](=O)c1cccc(\C=C\C(=O)c2cccnc2)c1"	0	""	""	2	1	"5387156"	NA
"621365"	621365	"4-Methyl-4'-nitrochalcone"	"Cc1ccc(\C=C\C(=O)c2ccc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	"5387157"	NA
"621376"	621376	"6-Chloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1ccc2ns[s+]c2c1"	0	""	""	3	3	"359816"	NA
"621393"	621393	""	"C[C@H]1CC(C)C(O)C(C1)C(O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2"	0	NA	NA	1	1	"490119"	NA
"621456"	621456	"2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol"	"NC1=NC(CC(=N1)c2cc(Cl)cc(Br)c2O)c3ccccc3"	0	""	""	3	1	"359846"	NA
"621457"	621457	"pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl..."	"Nc1nc(c(Cl)c(n1)c2cc(Cl)ccc2O)c3ccccc3"	0	""	""	3	1	"359847"	NA
"621476"	621476	"(E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one"	"Cc1c(C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"5387180"	NA
"621486"	621486	"quinoxaline, 3-[3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]-2..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)\C=C\c3ccccc3[N+](=O)[O-])c(C)[n+]2[O-]"	0	""	""	5	2	"5351352"	NA
"621495"	621495	"3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Cc1ccc(cc1)c2c(N)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	"135406287"	NA
"621496"	621496	"3-amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide"	"Nc1c(C(=O)Nc2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"135483915"	NA
"621631"	621631	"8-Methoxy-3-prop-2-enylchromen-2-one"	"COc1cccc2C=C(CC=C)C(=O)Oc12"	0	""	""	1	1	"359919"	NA
"621686"	621686	"9-diethylaminoethoxy-20(rs)-camptothecin hydrochloride"	"CCN(CC)CCOc1cccc2nc3C4=CC5=C(COC(=O)C5(O)CC)C(=O)N4Cc3cc12"	0	NA	NA	3	3	"440801132"	NA
"621719"	621719	"3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccc(Cl)cc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"135416920"	NA
"621724"	621724	"3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccc(cc2)c3c(N)[n+]([O-])c4ccccc4[n+]3[O-])[n+]([O-])c5ccccc5[n+]1[O-]"	0	""	""	1	1	"135484683"	NA
"621727"	621727	"3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccccc2c3c(N)[n+]([O-])c4ccccc4[n+]3[O-])[n+]([O-])c5ccccc5[n+]1[O-]"	0	""	""	2	1	"135496475"	NA
"621755"	621755	"2-(2,4-dibromophenoxy)-N-ethylacetamide"	"CCNC(=O)COc1ccc(Br)cc1Br"	0	""	""	1	1	"360019"	NA
"621812"	621812	"ptmc"	NA	0	NA	NA	4	4	"490347"	NA
"621845"	621845	"Diclofenac Amide"	"Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23"	0	""	""	1	1	"27211"	NA
"621847"	621847	"N-[2-[[2-(2,2-dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide"	"COc1cccc(NC(=O)C(C)(C)C)c1SSc2c(NC(=O)C(C)(C)C)cccc2OC"	0	""	""	2	1	"360049"	NA
"621854"	621854	"2-(2,5-diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one"	"O=C1C=C(NC1(c2ccccc2)c3cc([nH]c3c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"360056"	NA
"621855"	621855	"2-phenyl-2-(2-phenyl-1H-indol-3-yl)-1H-indol-3-one"	"O=C1c2ccccc2NC1(c3ccccc3)c4c([nH]c5ccccc45)c6ccccc6"	0	""	""	1	1	"360057"	NA
"621864"	621864	"9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one"	"COC12CCC(=O)C=C1c3ccccc3N2C(=O)C"	0	""	""	1	1	"360066"	NA
"621866"	621866	"4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid"	"COc1ccc(cc1)C2=CC(=O)c3cc(C)c(C)c(C(=O)O)c3O2"	0	""	""	1	1	"360068"	NA
"621867"	621867	"2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid"	"Cc1cc2C(=O)c3ccccc3Nc2c(C(=O)O)c1C"	0	""	""	1	1	"360069"	NA
"621868"	621868	"3,5,6-trimethyl-2H-indazole-7-carboxylic acid"	"Cc1cc2c(C)n[nH]c2c(C(=O)O)c1C"	0	""	""	1	1	"360070"	NA
"621871"	621871	"Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate"	"COC(=O)C1=C(O)c2cc(c3ccccc3)c(c4ccccc4)c(C#N)c2NC(=O)C1"	0	""	""	1	1	"54676222"	NA
"621887"	621887	"(3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride"	"CSc1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(SC)cc3)\C2=O)cc1"	0	""	""	1	1	"54602249"	NA
"621888"	621888	"cyclopentanone, 2-[(dimethylamino)methyl]-, hydrochlorid..."	"CN(C)CC1CCCC1=O"	0	NA	NA	4	4	"490387"	"42746872"
"621889"	621889	"cyclopentanemethanaminium, n,n,n-trimethyl-2-oxo-, iodide"	"C[N+](C)(C)CC1CCCC1=O"	0	""	""	3	3	"360085"	NA
"621967"	621967	"5-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine"	"COc1ccc(cc1)C2CC(=NN2)c3sc(Nc4ccc(C)cc4)nc3C"	0	""	""	2	1	"360113"	NA
"621968"	621968	"Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate"	"COC(=O)C1=Cc2cn(c3cccc(C(C=C(C)C)N1C(=O)C)c23)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"360114"	NA
"622004"	622004	"cyclopentane-1,2,3-trione 2-p-methoxyphenylhydrazone"	"COc1ccc(NN=C2C(=O)CCC2=O)cc1"	0	""	""	1	1	"135503400"	NA
"622070"	622070	"propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OC(C)C)C(=O)\C(=C\c3cc(OC)c(OC)c(C)c3OC)\N(Cc4ccccc4)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	"5387228"	NA
"622071"	622071	"propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1ccc(CN2C(=O)C(Cc3cc(OC)c(OC)c(C)c3OC)N(C(=O)OC(C)C)C(=O)/C/2=C/c4cc(OC)c(OC)c(C)c4OC)cc1"	0	""	""	1	1	"5387229"	NA
"622072"	622072	"benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OCc3ccccc3)C(=O)\C(=C\c4cc(OC)c(OC)c(C)c4OC)\N(Cc5ccccc5)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	"5387230"	NA
"622073"	622073	"2-methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OCC(C)C)C(=O)\C(=C\c3cc(OC)c(OC)c(C)c3OC)\N(Cc4ccccc4)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	"5387231"	NA
"622074"	622074	"propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate"	"COc1cc(\C=C\2/[C@@H]3N([C@@H](Cc4c(OC)c(C)c(OC)c(OC)c34)C(=O)N2Cc5ccccc5)C(=O)OC(C)C)c(OC)c(C)c1OC"	0	""	""	1	1	"6330788"	NA
"622075"	622075	"propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate"	"COc1ccc(CN2C(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H](N3C(=O)OC(C)C)/C/2=C\c5cc(OC)c(OC)c(C)c5OC)cc1"	0	""	""	1	1	"6330789"	NA
"622076"	622076	"2-methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate"	"COc1cc(\C=C\2/[C@@H]3N([C@@H](Cc4c(OC)c(C)c(OC)c(OC)c34)C(=O)N2Cc5ccccc5)C(=O)OCC(C)C)c(OC)c(C)c1OC"	0	""	""	2	1	"6330790"	NA
"622081"	622081	""	"COC(=O)N1[C@H]2Cc3c(OC)c(C)c(OC)c(OC)c3[C@@H]1\C(=C/c4cc(OC)c(OC)c(C)c4OC)\N(Cc5ccccc5)C2=O"	0	NA	NA	1	1	"490458"	NA
"622084"	622084	"AG-205/06490006"	"C\C(=N/NS(=O)(=O)c1ccccc1)\c2ccccc2"	0	""	""	2	1	"9569840"	NA
"622093"	622093	"methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(O[C@@H]([C@H]1COC(=O)C)c2cc(OC)c(OC)c(OC)c2)c3ccc4OCOc4c3"	0	""	""	1	1	"360160"	NA
"622096"	622096	""	"COC(=O)[C@H]1C(c2ccc3OCOc3c2)c4c(OC)c(OC)c(OC)cc4C(=C1C(=O)OC)O"	0	NA	NA	1	1	"490473"	NA
"622106"	622106	""	NA	0	NA	NA	1	1	"490483"	NA
"622114"	622114	""	NA	0	NA	NA	4	3	"490491"	NA
"622115"	622115	""	NA	0	NA	NA	1	1	"490492"	NA
"622124"	622124	"molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu...."	NA	0	NA	NA	4	4	"490499"	NA
"622154"	622154	"4-oxo-1,2,4-trithiolane"	"O=S1CSSC1"	0	""	""	1	1	"360183"	NA
"622155"	622155	"8,15-Diisocyano-11(20)-amphilectene"	"CC1C[C@H](CC(C)(C)[N+]#[C-])C2[C@@H]3C1CCC(C)C3(CCC2=C)[N+]#[C-]"	0	""	""	1	1	"360184"	NA
"622170"	622170	"sceptrin"	"Nc1ncc([nH]1)[C@H]2C(CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c4cc(Br)c[nH]4)C2c5cnc(N)[nH]5"	0	NA	NA	1	1	"490531"	NA
"622190"	622190	"benzo[f]quinazoline-7,10-dione, 1-amino-7,10-dihydro-8-m..."	"COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O"	0	""	""	3	2	"3711067"	"108599322"
"622243"	622243	"6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione"	"Cc1nc2C(=O)C3=C(N=C(CBr)NC3=O)C(=O)c2n1C"	0	""	""	1	1	"135503402"	NA
"622281"	622281	"4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-"	"CS(=O)C1=CC(=O)c2ccccc2S1"	0	""	""	9	6	"360259"	"112519514"
"622282"	622282	"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-"	"CS(=O)(=O)C1=CC(=O)c2ccccc2S1"	0	""	""	9	8	"360260"	"112519525"
"622293"	622293	"LS-20267"	"CN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c3ccccc13"	0	""	""	2	1	"60242"	NA
"622294"	622294	"9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene"	"CCN1CCCC(C1)NCc2c3ccccc3c(CNC4CCCN(CC)C4)c5ccccc25"	0	""	""	2	2	"360269"	NA
"622297"	622297	""	"CN(C)CCSc1nccc(n1)c2ccc(s2)c3ccnc(SCCN(C)C)n3"	0	NA	NA	2	2	"490611"	NA
"622299"	622299	"Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3ccccc3c2)CCCCC(=O)N1"	0	""	""	1	1	"360274"	NA
"622300"	622300	"Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3ccccc3c2)CCCCCN1"	0	""	""	1	1	"360275"	NA
"622316"	622316	"(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccccc2F"	0	""	""	1	1	"5387272"	NA
"622327"	622327	"3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide"	"Clc1cccc(Cl)c1NC(=O)C(=O)C(C#N)c2ccccc2"	0	""	""	2	1	"360292"	NA
"622341"	622341	"3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione"	"Cc1cccc(c1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	2	1	"360306"	NA
"622343"	622343	"PQ637VI0V3"	"CCOC(=O)C1=C(C)Nc2ccccc2S1"	0	""	""	1	1	"360308"	NA
"622344"	622344	"2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid"	"Cc1c(Cl)cccc1NC(=O)\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	1	1	"3003998"	NA
"622369"	622369	"Dubamine"	"C1Oc2ccc(cc2O1)c3ccc4ccccc4n3"	0	""	""	1	1	"360322"	NA
"622373"	622373	"ZB0703"	"Cc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	1	1	"360325"	NA
"622378"	622378	"2-butenoic acid, 2,3-dichloro-4-[(4-methylphenyl)amino]-..."	"Cc1ccc(NC(=O)\C(=C(\Cl)/C(=O)O)\Cl)cc1"	0	NA	NA	1	1	"490679"	NA
"622379"	622379	""	"Cc1cc(Cl)ccc1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	NA	NA	1	1	"490680"	NA
"622380"	622380	""	"Cc1cccc(C)c1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	NA	NA	3	2	"490681"	NA
"622381"	622381	""	"OC(=O)\C(=C(\Cl)/C(=O)Nc1cccc(Cl)c1)\Cl"	0	NA	NA	3	2	"490682"	NA
"622384"	622384	"Fluoroimide"	"Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	3	2	"93228"	NA
"622391"	622391	""	"Oc1ccc2ccccc2c1C(=O)N\N=C(\CCCC(=O)Nc3cccc(c3)[N+](=O)[O-])/C(C#N)c4nc5ccccc5s4"	0	NA	NA	1	1	"490692"	NA
"622398"	622398	"Fascaplysine"	"O=C1c2ccccc2[n+]3ccc4c5ccccc5[nH]c4c13"	0	""	""	2	2	"73292"	NA
"622400"	622400	"14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene"	"CC12Oc3ccc4ccccc4c3CC1Cc5c(O2)ccc6ccccc56"	0	""	""	1	1	"360350"	NA
"622426"	622426	"4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	"C1Cc2cn[nH]c2c3ccccc3O1"	0	""	""	2	1	"360365"	NA
"622427"	622427	"8-methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	"COc1ccc2c(OCCc3cn[nH]c23)c1"	0	""	""	1	1	"360366"	NA
"622429"	622429	"12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene"	"COc1ccc2c(CCCc3cn[nH]c23)c1"	0	""	""	2	1	"360368"	NA
"622453"	622453	"1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine"	"CN1CCN(CC1)P2(=S)Oc3ccc4ccccc4c3c5c(O2)ccc6ccccc56"	0	""	""	2	1	"360388"	NA
"622456"	622456	"2-(4-methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine"	"Cc1ccc(cc1)N2Cc3c(OP2(=S)N4CCCC4)ccc5ccccc35"	0	""	""	2	1	"360391"	NA
"622458"	622458	"3-(4-chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide"	"Cc1ccc(cc1)N2Cc3c(OP2(=O)Oc4ccc(Cl)c(C)c4)ccc5ccccc35"	0	""	""	2	1	"360393"	NA
"622459"	622459	"8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline"	"O(c1cccc2cccnc12)P34(Oc5cc6ccccc6cc5O3)Oc7cc8ccccc8cc7O4"	0	""	""	2	2	"360394"	NA
"622460"	622460	"8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline"	"CC(C)(C)c1ccc2OP3(Oc4cccc5cccnc45)(Oc6ccc(cc6O3)C(C)(C)C)Oc2c1"	0	""	""	2	2	"360395"	NA
"622462"	622462	"2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide"	"Clc1ccc(OP2(=O)Oc3cc4ccccc4cc3O2)c(Cl)c1"	0	""	""	2	1	"360397"	NA
"622463"	622463	"11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran"	"Cc1c2ccccc2cc3ccc4oc(cc4c13)[N+](=O)[O-]"	0	""	""	1	1	"360398"	NA
"622480"	622480	""	"CCCCCCCCCCC\C(=N\O)\c1ccc(O)c2ncccc12"	0	NA	NA	1	1	"490760"	NA
"622482"	622482	"11-Nitronoracronycin"	"CN1c2c3C=CC(C)(C)Oc3cc(O)c2C(=O)c4cccc(c14)[N+](=O)[O-]"	0	""	""	1	1	"5387300"	NA
"622488"	622488	"3-butoxycarbonyl-3-demethylthiocolchicine"	"CCCCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	4	3	"360414"	NA
"622492"	622492	"methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate"	"COC(=O)C(O)[C@H]1C(C)(C)[C@H](CC2O[C@]34[C@H](O)C(=O)OC(c5cocc5)C3(C)C(CC(C4=C)[C@]12C)OC(=O)C)OC(=O)C"	0	""	""	1	1	"360417"	NA
"622493"	622493	".beta.-cyclodextrin"	NA	0	NA	NA	1	1	"490771"	NA
"622494"	622494	".beta.-cyclodextrin"	NA	0	NA	NA	1	1	"490772"	NA
"622503"	622503	"5,7-dimethyl-3H-indolizin-4-ium;perchlorate"	"Cc1cc(C)[n+]2CC=Cc2c1"	0	""	""	1	1	"13860657"	NA
"622505"	622505	"5-ethyl-7-methyl-3H-indolizin-4-ium;perchlorate"	"CCc1cc(C)cc2C=CC[n+]12"	0	""	""	1	1	"14114373"	NA
"622570"	622570	"N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide"	"Clc1ccc(NC(=O)CCC(=O)CC(=O)\C=C\c2ccccc2)cc1"	0	""	""	1	1	"5387303"	NA
"622575"	622575	"benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate"	"CN(C)\C(=N\C(=S)Nc1ccccc1)\SCc2ccccc2"	0	""	""	1	1	"6375381"	NA
"622577"	622577	"(3Z)-1,1-dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/c2ccccc2)\N1c3ccccc3"	0	""	""	1	1	"9569854"	NA
"622578"	622578	"(3Z)-3-[(5Z)-5-(benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/S(=O)(=O)c2ccccc2)\N1c3ccccc3"	0	""	""	1	1	"9569855"	NA
"622579"	622579	"carbamimidothioic acid, n,n-dimethyl-n'-[(phenylimino) (..."	"CS\C(=N/c1ccccc1)\N=C(/SCc2ccccc2)\N(C)C"	0	""	""	2	2	"9569856"	NA
"622580"	622580	"dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate"	"CS\C(=N/c1ccccc1)\N(c2ccccc2)c3nc([s+]s3)N(C)C"	0	""	""	1	1	"24202068"	NA
"622582"	622582	"(3Z)-3-[(5Z)-4-[4-(dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc(cc2)N(C)C"	0	""	""	3	2	"9569857"	NA
"622586"	622586	"(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"COc1ccc(cc1)N2\C(=N\C(=S)N(C)C)\SS/C/2=N\C(=S)N(C)C"	0	""	""	1	1	"9569860"	NA
"622588"	622588	"[5-(N-[(Z)-N-(dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide"	"CS\C(=N/C(=S)N(C)C)\N(c1ccccc1)c2nc(s[s+]2)N(C)C"	0	""	""	1	1	"9569862"	NA
"622589"	622589	"(3Z)-3-[(5Z)-4-(1,3-benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc3OCOc3c2"	0	""	""	1	1	"9569863"	NA
"622592"	622592	"(3Z)-3-[(5Z)-4-cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1C2CCCCC2"	0	""	""	1	1	"9569864"	NA
"622595"	622595	"(3Z)-3-[(5Z)-4-(4-chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc(Cl)cc2"	0	""	""	1	1	"9569867"	NA
"622596"	622596	"1,1-Dimethyl-5-(2-naphthalenyl)dithiobiuret"	"CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1"	0	""	""	2	2	"3004012"	NA
"622597"	622597	"[5-(N-(2-ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide"	"CCOC(=O)CN(c1ccccc1)c2nc(s[s+]2)N(C)C"	0	""	""	1	1	"360463"	NA
"622598"	622598	"ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate"	"CCOC(=O)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	2	2	"9569868"	NA
"622599"	622599	""	"CN(C)C1=N\C(=N\c2ccc3ccccc3c2)\SS1"	0	NA	NA	1	1	"490816"	NA
"622600"	622600	"(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea"	"CN(C)C(=O)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	3	2	"9569869"	NA
"622604"	622604	"Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate"	"COC(=O)C1=C(SC(=NC(=S)N2CCCCC2)S1)C(=O)OC"	0	""	""	1	1	"360472"	NA
"622606"	622606	"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-(dimethylamino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)N1\C(=N\C(=S)N(C)C)\SS/C/1=N\S(=O)(=O)c2ccccc2"	0	""	""	1	1	"9569870"	NA
"622607"	622607	""	"CN(c1ccccc1)c2nc(s[s+]2)N3CCCC3"	0	NA	NA	1	1	"580971"	NA
"622608"	622608	"1,2,4-dithiazol-3-amine, 5-[(2-furanyl)methylimino]- n,n..."	"CN(C)C1=N\C(=N\Cc2occc2)\SS1"	0	""	""	4	2	"360474"	NA
"622611"	622611	"N'-[(E)-[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide"	"CC(NC(=O)C(=O)N\N=C\1/C[C@H](Nc2ccccc12)c3ccccc3)c4ccccc4"	0	""	""	1	1	"135510060"	NA
"622613"	622613	"3h-naphtho[1,8-bc]furan-2-carboxylic acid, 4,5-dihydro-6..."	"CCOC(=O)c1oc2ccc(c3CCCc1c23)[N+](=O)[O-]"	0	""	""	4	1	"360479"	NA
"622616"	622616	"NCIMech_000091"	"CCOC(=O)CCC1=C(C)c2c(O)cc(O)cc2OC1=O"	0	""	""	2	1	"5351353"	NA
"622624"	622624	"1-(1-adamantyl)-3-[(E)-benzylideneamino]thiourea"	"S=C(N\N=C\c1ccccc1)NC23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	"9569873"	NA
"622626"	622626	"GS-2004"	"[O-][N+](=O)c1cc(cc(c1C#N)[N+](=O)[O-])C(F)(F)F"	0	""	""	2	2	"360492"	NA
"622627"	622627	"2-(Chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene"	"[O-][N+](=O)c1cc(cc(c1CCl)[N+](=O)[O-])C(F)(F)F"	0	""	""	2	2	"360493"	NA
"622630"	622630	"Isopropyl 2,6-bis(hydroxy(oxido)amino)-4-(trifluoromethyl)phenylcarbamate"	"CC(C)OC(=O)Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"	0	""	""	3	2	"360496"	NA
"622645"	622645	""	"CS\C(=N/C)\N(C)c1nc(s[s+]1)N(C)C"	0	NA	NA	1	1	"580975"	NA
"622646"	622646	""	"CSC(=[N+](C)C)\N=C\1/SS\C(=N\C)\N1C"	0	NA	NA	1	1	"580976"	NA
"622647"	622647	"Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide"	"CN(C)c1nc([s+]s1)N2CCOCC2"	0	""	""	1	1	"360510"	NA
"622648"	622648	""	"CCSc1nc(s[s+]1)N2CCCC2"	0	NA	NA	3	2	"580977"	NA
"622652"	622652	"5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione"	"S=C1SSC(=N1)N2CCCCC2"	0	""	""	1	1	"360516"	NA
"622657"	622657	"QDQACASBAIWXJJ-UHFFFAOYSA-N"	"CN(C)C(=O)NC(=S)N(C)C"	0	""	""	1	1	"3004018"	NA
"622666"	622666	"4-Methyl-3-nitro-5-(4-nitrophenyl)-4,5-dihydro-6H-pyrazolo[4,3-c][1,2]selenazol-6-one"	"CN1N(C(=O)c2n[se]c(c12)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"360531"	NA
"622672"	622672	""	"CN(C)c1nc([s+]s1)N(C)Cc2ccccc2"	0	NA	NA	1	1	"490880"	NA
"622673"	622673	"N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea"	"C\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	2	1	"9569880"	NA
"622674"	622674	"(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CCCCN1\C(=N\C(=S)N(C)C)\SS/C/1=N\C(=S)N(C)C"	0	""	""	1	1	"5934800"	NA
"622676"	622676	"N-(piperidine-1-carboximidoyl)piperidine-1-carbothioamide"	"N=C(NC(=S)N1CCCCC1)N2CCCCC2"	0	""	""	1	1	"9569882"	NA
"622677"	622677	""	"C1CN(CCO1)C2=N\C(=N/c3ccccc3)\SS2"	0	NA	NA	1	1	"580978"	NA
"622680"	622680	"N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1c2ccccc2"	0	""	""	1	1	"9569883"	NA
"622687"	622687	"N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1C2CCCCC2"	0	""	""	1	1	"5907910"	NA
"622688"	622688	"3h-1,2,4-dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-..."	"CCOC(C\N=C\1/SSC(=N1)N(C)C)OCC"	0	NA	NA	4	3	"490894"	NA
"622689"	622689	""	"CN(C)C1=N\C(=N\c2cccc(Cl)c2)\SS1"	0	NA	NA	1	1	"490895"	NA
"622690"	622690	""	"CN(C)C1=N\C(=C/2\C=C(C)N=C2C)\SS1"	0	NA	NA	1	1	"580980"	NA
"622691"	622691	"thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazoli..."	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2occc2"	0	""	""	3	2	"5836849"	NA
"622693"	622693	"1,1-Dimethyl-3-(methylcarbamothioyl)thiourea"	"CNC(=S)NC(=S)N(C)C"	0	""	""	1	1	"3004022"	NA
"622696"	622696	"thioperoxydicarbonic diamide, tetramethyl-"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	3	3	"490901"	NA
"622698"	622698	"[(E)-1-(3,4-dimethylphenyl)ethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc(C)c(C)c1"	0	""	""	1	1	"9569886"	NA
"622700"	622700	"methanaminium, (2-oxo-1,3-cyclohexanediyl)bis(methyl)bis..."	"C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O"	0	""	""	5	5	"360569"	NA
"622701"	622701	"[(E)-1-(2,4-dimethylphenyl)ethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc(C)cc1C"	0	""	""	1	1	"9569887"	NA
"622726"	622726	"(2E)-5-methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	"CN1C(=O)C\C(=C/C(=O)C)\Nc2ccccc12"	0	""	""	1	1	"5387358"	NA
"622727"	622727	"(2E)-5-ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	"CCN1C(=O)C\C(=C/C(=O)C)\Nc2ccccc12"	0	""	""	2	1	"5387359"	NA
"622732"	622732	"NCIMech_000330"	"Cn1ncc2cc3c(Nc4ccc(Cl)cc4)cccc3nc12"	0	""	""	1	1	"360580"	NA
"622759"	622759	"[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate"	"COC1=NC(=C(\N=C(/C)\C(=O)C)C(=O)N1C)NC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	"360584"	NA
"622761"	622761	"[4,5-diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate"	"CSC1=NC(=C(\N=C(/C)\C(=O)C)C(=O)N1)NC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	"135463879"	NA
"622769"	622769	"pyrimidine-5,6-diamine, n(5),n(5')- (1,2-ethanediylidene..."	"CSC1=NC(=C(\N=C\C=N\C2=C(NC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N=C(SC)N(C)C2=O)C(=O)N1C)NC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C"	0	NA	NA	5	2	"490932"	NA
"622774"	622774	"W-204029"	"COC1=Nc2[nH]ccc2C(=O)N1"	0	""	""	1	1	"135474991"	NA
"622776"	622776	"N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide"	"COC1=NC(=C(NC(=O)C)C(=O)N1C)N"	0	""	""	1	1	"360601"	NA
"622809"	622809	"4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide"	"O=C1CCCn2c3ccccc3c4ccnc1c24"	0	""	""	2	1	"360605"	NA
"622811"	622811	"Apigenin 7-O-"	"OC1C(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)OC(C(O)C1O)C(=O)O"	0	""	""	1	1	"5387370"	NA
"622918"	622918	"2-nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide"	"[O-][N+](=O)c1ccccc1C(=O)Nc2ccc3[nH]c4c(nccc4c3c2)c5ccccc5"	0	""	""	1	1	"3809354"	NA
"622919"	622919	"2-nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide"	"[O-][N+](=O)c1ccccc1C(=O)Nc2cccc3c4ccnc(c5ccccc5)c4[nH]c23"	0	""	""	1	1	"4435439"	NA
"622920"	622920	"6-(1-Benzofuran-2-yl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile"	"CSC1=C(C#N)C(=O)OC(=C1)c2oc3ccccc3c2"	0	""	""	1	1	"360615"	NA
"622921"	622921	"6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxo-2H-pyran-3-carbonitrile"	"CC1CCN(CC1)C2=C(C#N)C(=O)OC(=C2)c3oc4ccccc4c3"	0	""	""	1	1	"360616"	NA
"622924"	622924	"6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)-2H-pyran-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)O2)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	"360619"	NA
"622926"	622926	"4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)O2)N3CCN(CC3)c4ccc(Cl)cc4"	0	""	""	1	1	"360621"	NA
"622930"	622930	"(Z)-N-(oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine"	"C(O\N=C/1\CCCCc2ccccc12)C3CO3"	0	""	""	1	1	"6288461"	NA
"622932"	622932	"2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid"	"CC(SC1=CC(=O)c2c(O)ccc(O)c2C1=O)C(=O)O"	0	""	""	2	1	"360627"	NA
"622934"	622934	"ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate"	"CCOC(=O)\C=C(/C)\c1ccc(C)cc1C"	0	""	""	1	1	"5387373"	NA
"622936"	622936	"4-Amino-1-[(2-hydroxyethoxy)methyl]-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one"	"NC1=NC(=O)Nc2c1cnn2COCCO"	0	""	""	1	1	"135503407"	NA
"622937"	622937	"4-Amino-1-benzyl-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one"	"NC1=NC(=O)Nc2c1cnn2Cc3ccccc3"	0	""	""	2	1	"135478196"	NA
"622938"	622938	"2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol"	"CCCCCCCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23"	0	""	""	1	1	"360632"	NA
"622939"	622939	"methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate"	"COC1=CC(=C(C#N)\C(=N/c2ccccc2)\SC)C=C(OC)C1=O"	0	""	""	1	1	"360633"	NA
"622946"	622946	"Hypericin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56"	0	NA	NA	2	2	"580981"	NA
"622958"	622958	"3-{2-[4,6-Bis(trifluoromethyl)pyrimidin-2(5h)-ylidene]hydrazinyl}-5,6-diphenyl-1,2,4-triazine"	"FC(F)(F)C1=NC(=NNc2nnc(c3ccccc3)c(n2)c4ccccc4)N=C(C1)C(F)(F)F"	0	""	""	2	2	"360651"	NA
"622983"	622983	"1,2'-Spirobiindane-1',3'-dione"	"O=C1c2ccccc2C(=O)C13CCc4ccccc34"	0	""	""	1	1	"360665"	NA
"622984"	622984	"spiro(3-cyclopentene-1,1'-indane)-2,5-dione, 3-bromo-"	"BrC1=CC(=O)C2(CCc3ccccc23)C1=O"	0	""	""	4	4	"360666"	NA
"622985"	622985	"Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione"	"O=C1C=CC(=O)C12CCc3ccccc23"	0	""	""	2	1	"360667"	NA
"622990"	622990	"(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate"	"CC(=O)Oc1cc(OC(=O)C)c(OC(=O)C)c2CC3C(Cc12)C(=O)C4(CCc5ccccc45)C3=O"	0	""	""	1	1	"360672"	NA
"623017"	623017	"An Antifol"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	"Df"	""	2	2	"-1"	NA
"623038"	623038	"3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide"	"CCc1cccc(C)c1NC(=O)C(=O)Cc2nc3ccccc3s2"	0	""	""	1	1	"360702"	NA
"623078"	623078	"(8E)-3,5a,9-Trimethyl-8-(phenylimino)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one"	"CC1C2CCC3(C)C=C\C(=N/c4ccccc4)\C(=C3C2OC1=O)C"	0	""	""	2	1	"360739"	NA
"623081"	623081	"14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide"	"CC(C)(C)c1ccc2OCCOCCOCCOc3ccc(cc3S(=O)(=O)Nc4cc(Cl)ccc4NS(=O)(=O)c2c1)C(C)(C)C"	0	""	""	1	1	"360742"	NA
"623082"	623082	"2,2'-[Oxybis(ethane-2,1-diyloxy)]bis(5-tert-butylbenzenesulfonamide)"	"CC(C)(C)c1ccc(OCCOCCOc2ccc(cc2S(=O)(=O)N)C(C)(C)C)c(c1)S(=O)(=O)N"	0	""	""	1	1	"360743"	NA
"623084"	623084	"5-tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide"	"CC(C)(C)c1ccc(OCCOCCOc2ccc(cc2S(=O)(=O)Nc3ccc(cc3)[N+](=O)[O-])C(C)(C)C)c(c1)S(=O)(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"360745"	NA
"623087"	623087	"N-[2-[3-[2-(ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccccc1C2=NNC(=NC2=O)SCC(=O)NC(=O)NC=C"	0	""	""	1	1	"135416967"	NA
"623089"	623089	"N-[2-(2,4-dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide"	"CN1N=C(C(=O)N(C)C1=S)c2ccccc2NC(=O)C(F)(F)F"	0	""	""	1	1	"360750"	NA
"623092"	623092	"N-[2-[2,4-Bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccccc1C2=NN(C(=S)NC=C)C(=S)N(C(=S)NC=C)C2=O"	0	""	""	1	1	"3000332"	NA
"623093"	623093	"NCIMech_000199"	"FC(F)(F)C(=O)Nc1ccccc1C2=NN(C(=S)Nc3ccccc3)C(=S)N(C(=S)Nc4ccccc4)C2=O"	0	""	""	2	1	"3001564"	NA
"623094"	623094	"3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-"	"FC(F)(F)C(=O)n1c2ccccc2c3nnc(S)nc13"	0	""	""	1	1	"3000333"	NA
"623122"	623122	"[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate"	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COP(=O)(O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC"	0	""	""	1	1	"360773"	NA
"623128"	623128	"14-Fluoro-4-demethoxydaunorubicin"	"CC1OC(CC(N)C1O)OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CF"	0	""	""	3	3	"6711360"	NA
"623132"	623132	"4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine"	"C1CC(Sc2ccccc2)C(Sc3ccccc3)c4ccccc4S1"	0	""	""	1	1	"360777"	NA
"623137"	623137	"LS-40021"	"Fc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45"	0	""	""	1	1	"51254"	NA
"623138"	623138	"LS-40023"	"Fc1cccc2cc3ccc4cccc5ccc(c12)c3c45"	0	""	""	1	1	"52859"	NA
"623158"	623158	"[chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate"	"CN(C)c1ccc(\C=N\N=C(\S[Sn](Cl)(c2ccccc2)c3ccccc3)/C#N)cc1"	0	""	""	1	1	"9569898"	NA
"623164"	623164	"1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene"	"COc1cc2C(Cl)C(=C(Cl)c2cc1OC)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"360783"	NA
"623166"	623166	"2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene"	"COc1cc2C(Cl)C(=C(Cl)c2cc1OC)c3ccc(Br)cc3"	0	""	""	3	1	"360785"	NA
"623172"	623172	"(E)-3-chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal"	"CCOc1ccc(cc1)\C(=C(/Cl)\c2ccc(OC)cc2)\C=O"	0	""	""	2	2	"5387393"	NA
"623173"	623173	"(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(F)cc2)\Cl"	0	""	""	1	1	"5387394"	NA
"623175"	623175	"(E)-3-chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(cc2)[N+](=O)[O-])\Cl"	0	""	""	2	2	"5387396"	NA
"623176"	623176	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(cc2)[N+](=O)[O-])\Cl"	0	""	""	2	2	"5387397"	NA
"623178"	623178	"(E)-3-chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Cl)c(Cl)c2)\Cl"	0	""	""	1	1	"5387399"	NA
"623180"	623180	"(E)-2-(4-bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Br)cc2)\Cl"	0	""	""	2	1	"5387401"	NA
"623229"	623229	"N-[(E)-[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide"	"O=S(=O)(N\N=C\c1ccc(\C=N\NS(=O)(=O)c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	"9569900"	NA
"623234"	623234	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2cc(OC)c(OC)c(OC)c2)\Cl"	0	""	""	2	1	"5387416"	NA
"623310"	623310	"prostratin"	"CC1CC2(OC(=O)C)C([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)C13O)C2(C)C"	0	NA	NA	3	3	"491201"	"60857081"
"623315"	623315	""	"CC(=O)OC1CC2[NH2+][Pt+2]([ClH-])([ClH-])[NH2+]C2CC1OC(=O)C"	0	NA	NA	1	1	"580994"	NA
"623318"	623318	""	"OC1CCC2[NH2+][Pt+2]([ClH-])([ClH-])[NH2+][C@@H]2C1"	0	NA	NA	1	1	"580997"	NA
"623319"	623319	""	"[Cl-][Pt+2]1([Cl-])N[C@@H]2C[C@H](O)CCC2N1"	0	NA	NA	1	1	"580998"	NA
"623433"	623433	"ovb3-pe"	NA	0	NA	NA	2	2	"491228"	NA
"623435"	623435	"il6-pe40"	NA	0	NA	NA	2	1	"491230"	NA
"623436"	623436	"tgf.alpha.-pe40"	NA	0	NA	NA	2	2	"491231"	NA
"623452"	623452	"1,3-Dimethyl-10-phenyl-5,10-dihydrophenophosphazinine"	"Cc1cc(C)c2P(c3ccccc3)c4ccccc4Nc2c1"	0	""	""	1	1	"360852"	NA
"623519"	623519	"dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate"	"COC(=O)[C@@]12ON=C3CC[C@H](OCc4ccccc4)[C@@H](C5OC(C)(C)OC5C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	1	1	"360858"	NA
"623520"	623520	"dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate"	"COC(=O)[C@@]12ON=C3CC[C@H](OCc4ccccc4)[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	2	2	"360859"	NA
"623521"	623521	"dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate"	"COC(=O)[C@@]12ON=C3CCC(OCc4ccccc4)[C@@H]([C@@H]5OC(C)(C)O[C@@H]5C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	1	1	"360860"	NA
"623527"	623527	"pyrrolidinium, n-(5-carboxypentyl)-n- [2-[2-[3-(octadecy..."	"CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCCCC(=O)O)CCCC1)Oc2ncccn2"	0	""	""	4	3	"360861"	"129655067"
"623560"	623560	"1,3-Benzodithiol-2-yl 2-methylpropyl ether"	"CC(C)COC1Sc2ccccc2S1"	0	""	""	1	1	"360877"	NA
"623596"	623596	"4-methyl-1,2,4-benzotriazin-3(4h)-imine 1-oxide"	"CN1C(=N)N=[N+]([O-])c2ccccc12"	0	""	""	1	1	"360889"	NA
"623599"	623599	"4-methyl-1,2,4-benzotriazin-3(4h)-imine 1-oxide, hydroch..."	"CN1C(=N)N=[N+]([O-])c2ccccc12"	0	NA	NA	2	2	"491282"	NA
"623600"	623600	"7-(3-n-ethylacetamido-2-hydroxypropoxy)-1,2,4-benzo tria..."	"CCN(CC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(=O)C"	0	""	""	1	1	"135503408"	NA
"623606"	623606	"7-Nitro-1,2,4-benzotriazin-3-amine-1,4-dioxide"	"Nc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	1	1	"135427573"	NA
"623619"	623619	"Sulfoquinovoside"	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC"	0	NA	NA	1	1	"491293"	NA
"623626"	623626	"1-[(E)-benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea"	"S=C(N\N=C\c1ccccc1)NC2CC(Oc3ccccc23)c4ccccc4"	0	""	""	1	1	"9569902"	NA
"623633"	623633	"3-[3-(2-oxopropyl)thio][1,2,4]triazolyl triphenylphospho..."	"[Cl-].[Cl-].O=C(CSc1nnc[nH]1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"491305"	NA
"623636"	623636	"1,4-benzoquinone, 2-bromo-5-methoxy-"	"COC1=CC(=O)C(=CC1=O)Br"	0	""	""	1	1	"360922"	NA
"623637"	623637	"benzoic acid, [(6-methyl-2-oxo-2h-benzopyran- 4-yl)metho..."	"COC(=O)c1ccccc1OCC2=CC(=O)Oc3ccc(C)cc23"	0	""	""	2	1	"360923"	NA
"623639"	623639	"cyclopentanone, 2,5-bis[(trimethylamino)methyl]-, iodide"	"C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=O"	0	""	""	4	3	"360925"	NA
"623650"	623650	"Chloro-[(1-nitrocyclohexyl)methyl]mercury"	"[O-][N+](=O)C1(CCCCC1)[CH-][Hg+2][ClH-]"	0	""	""	2	2	"498301"	NA
"623654"	623654	"mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy..."	"CC(C)(C)C1CCC(CC1)([CH-][Hg+2][ClH-])[N+](=O)[O-]"	0	""	""	3	3	"498302"	NA
"623660"	623660	""	"COC1OC2=CCC3C(C2[C@H](OCc4ccccc4)C1OCc5ccccc5)C(=O)NC3=O"	0	NA	NA	1	1	"491330"	NA
"623712"	623712	"1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-"	"ClC1c2ccccc2C3(OOC1(O3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"360981"	NA
"623723"	623723	"3-[(3,5-Dichlorobenzyl)(methyl)amino]-1,2-diphenylpropan-1-one"	"CN(CC(C(=O)c1ccccc1)c2ccccc2)Cc3cc(Cl)cc(Cl)c3"	0	""	""	2	2	"360991"	NA
"623725"	623725	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide"	"CC1=C(Sc2ccccc2N1)C(=O)CC(=O)C(=O)Nc3ccccc3C(F)(F)F"	0	""	""	1	1	"360993"	NA
"623731"	623731	""	"Clc1ccc(Cl)c(c1)N2C(=O)C(=O)C(\C(=N/NC(=O)CC#N)\C2=O)c3nc4ccccc4s3"	0	NA	NA	1	1	"491385"	NA
"623753"	623753	"STK021220"	"CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1"	0	""	""	1	1	"55294"	NA
"623757"	623757	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide"	"CCOc1ccccc1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"361023"	NA
"623758"	623758	"naphth[2,3-d]thiazole-4,9-dione, 2-[(2-methylphenyl)amino]-"	"Cc1ccccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	3	2	"361024"	NA
"623761"	623761	"naphth[2,3-d]thiazole-4,9-dione, 2-[(2-chloro-4- methyl)..."	"Cc1cc(Cl)ccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	3	2	"361027"	NA
"623765"	623765	"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]amino]-2-hydroxybenzamide"	"Oc1ccccc1C(=O)N\N=C/2\C(C(=O)C(=O)N(C2=O)c3nccs3)c4nc5ccccc5s4"	0	""	""	1	1	"9555785"	NA
"623768"	623768	""	"Cc1ccc(C)c(c1)N2C(=O)C(=O)C(\C(=N/NC(=O)c3ccccc3O)\C2=O)c4oc5ccccc5n4"	0	NA	NA	1	1	"491422"	NA
"623772"	623772	"4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone"	"Cc1cccc(N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3)c1C"	0	""	""	1	1	"361038"	NA
"623773"	623773	"DA-09193"	"CCOC(=O)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F"	0	""	""	1	1	"361039"	NA
"623785"	623785	"Artemisetene"	"CC1CCC2C(=C)C(=O)O[C@@H]3OC4(C)CCC1C23OO4"	0	""	""	2	2	"361042"	NA
"623794"	623794	"1,4-benzodioxin-2-carboxamide, 6-(4-oxo-4-h-1- benzopyra..."	"O=C(NCc1cccnc1)C2COc3cc(ccc3O2)C4=CC(=O)c5ccccc5O4"	0	""	""	3	3	"361051"	NA
"623870"	623870	"2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cccc4ccccc34)C(=O)Nc5ccccc5"	0	""	""	1	1	"361066"	NA
"623872"	623872	"Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate"	"COC(=O)CCC(=O)Nc1ccc(Cl)cc1C"	0	""	""	2	2	"361068"	NA
"623873"	623873	"N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide"	"Cc1cccc(C)c1NC(=O)C2C(=O)N(C(=O)/C/2=N\N)c3c(C)cccc3C"	0	""	""	1	1	"6105822"	NA
"623878"	623878	""	"CCOc1ccc(NC(=O)\C(=C/c2ccc(C)cc2)\C(=O)C)cc1"	0	NA	NA	1	1	"491474"	NA
"623879"	623879	"3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3occc3)C(=O)Nc4ccccc4OC)C"	0	""	""	3	2	"361074"	NA
"623885"	623885	"STK537384"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccc3Cl)C(=O)Nc4ccccc4"	0	""	""	1	1	"361080"	NA
"623897"	623897	"N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccc(OC)c(NC(=O)C2=C(C)NC(=C(C2c3ccccc3)C(=O)Nc4cc(OC)ccc4OC)C)c1"	0	""	""	1	1	"361092"	NA
"623902"	623902	""	"[O-][N+](=O)c1cccc(\C=C(\NC(=O)c2ccccc2)/c3nc4cc(Cl)ccc4[nH]3)c1"	0	NA	NA	1	1	"491498"	NA
"623905"	623905	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc1"	0	NA	NA	1	1	"491501"	NA
"623919"	623919	"[5-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-4-yl]methyl methylcarbamate"	"CNC(=O)OCc1nc(SC)n(C)c1CO"	0	""	""	2	1	"361110"	NA
"623925"	623925	"[2-(Tert-butyldisulfanyl)-1-methyl-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)"	"CNC(=O)OCc1nc(SSC(C)(C)C)n(C)c1COC(=O)NC"	0	""	""	5	4	"361115"	NA
"623950"	623950	"Antineoplastic-623950"	"O=C1N(CCNCCNCCNCCN2C(=O)c3cccc4cc5ccccc5c(C2=O)c34)C(=O)c6c7ccccc7cc8cccc1c68"	0	""	""	2	1	"361120"	NA
"623953"	623953	"15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride"	"CN(C)CCNc1c2ccccc2c3C(=O)N(CCN(C)C)C(=O)c4cccc1c34"	0	""	""	2	1	"361124"	NA
"623954"	623954	"2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride"	"CN(C)CCNc1c(cc2C(=O)N(CCN(C)C)C(=O)c3cccc1c23)[N+](=O)[O-]"	0	""	""	2	1	"361126"	NA
"623955"	623955	""	"OC(=O)C1Cc2c(C=N1)[nH]c3ccccc23"	0	NA	NA	2	1	"491528"	NA
"623958"	623958	"Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate"	"CCOC(=O)C(=CNC(Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)OCC"	0	""	""	1	1	"361132"	NA
"623959"	623959	"Harman-3-carbonsaure"	"CC1=NC(Cc2c1[nH]c3ccccc23)C(=O)O"	0	""	""	1	1	"189011"	NA
"623968"	623968	"[(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone"	"O=S(=O)(C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"5387479"	NA
"623970"	623970	"1-[2-(2,4-Dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C(=C)C(=C)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"361138"	NA
"623978"	623978	"2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane"	"Brc1ccc(cc1)C2CC3(ON2CC3S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	"361146"	NA
"623984"	623984	"Methyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2-carboxylate"	"COC(=O)C1=CC2OC1(C)C3(CC3)C2=O"	0	""	""	1	1	"361152"	NA
"623989"	623989	"1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane"	"O=S(=O)(C1CN(Cc2ccccc2)CCN(Cc3ccccc3)C1)c4ccccc4"	0	""	""	2	2	"361157"	NA
"623990"	623990	""	"[I-].C=C(CS(=O)(=O)c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"491558"	NA
"623993"	623993	"2,2-Dichlorocyclopropyl 4-methylphenyl sulfone"	"Cc1ccc(cc1)S(=O)(=O)C2CC2(Cl)Cl"	0	""	""	1	1	"361162"	NA
"624053"	624053	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-"	"COc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"361181"	NA
"624114"	624114	"C18281"	"O=C1Oc2c(C=C1)cc3ccc4cccc5ccc2c3c45"	0	""	""	1	1	"361185"	NA
"624153"	624153	""	"Cc1ccc(SSCC(O)C(O)CSSc2ccc(C)cc2)cc1"	0	NA	NA	1	1	"491596"	NA
"624157"	624157	"[1-Oxo-5-(p-tolylsulfonyloxy)dithian-4-yl] 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"361194"	NA
"624158"	624158	"benzenesulfonothioic acid, 4-methyl-,2-butene-1,4-diyl e..."	"Cc1ccc(cc1)S(=O)(=O)SC\C=C/CSS(=O)(=O)c2ccc(C)cc2"	0	""	""	4	4	"5351357"	"111238610"
"624162"	624162	"JZSROASPVXWQLK-UHFFFAOYSA-N"	"O=S1Cc2ccccc2CSS1"	0	""	""	1	1	"361198"	NA
"624165"	624165	""	"OS(=O)CCCCSSCc1ccccc1CSSCCCCS(=O)O"	0	NA	NA	1	1	"491608"	NA
"624166"	624166	""	"NCCCNCCSSCCCCS(=O)O"	0	NA	NA	1	1	"491609"	NA
"624167"	624167	""	"NCCSSC\C=C/CSSCCN"	0	NA	NA	2	1	"491610"	NA
"624170"	624170	""	"NCCCNCCSSC\C=C/CSSCCNCCCN"	0	NA	NA	1	1	"491613"	NA
"624171"	624171	""	"NCCCNCCSSC\C=C/CSSCCNCCCN"	0	NA	NA	1	1	"491614"	NA
"624172"	624172	""	"NCCCNCCSSCc1ccccc1CSSCCNCCCN"	0	NA	NA	1	1	"491615"	NA
"624187"	624187	"2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate"	"COS(=O)CCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCS(=O)OC"	0	""	""	1	1	"361230"	NA
"624190"	624190	""	"Cc1ccc(SSCCCCCS(=O)O)cc1"	0	NA	NA	1	1	"491633"	NA
"624191"	624191	""	"OS(=O)CCCCCSSc1ccccc1"	0	NA	NA	1	1	"491634"	NA
"624192"	624192	""	"OS(=O)CCCCCSSSCCCCCS(=O)O"	0	NA	NA	1	1	"491635"	NA
"624195"	624195	""	"Cc1ccc(SSCCCS(=O)O)cc1"	0	NA	NA	1	1	"491638"	NA
"624199"	624199	""	"Cc1ccc(SSCCCCS(=O)O)cc1"	0	NA	NA	1	1	"491642"	NA
"624201"	624201	""	"[Na+].OS(=O)CCCCSSCCCCS(=O)(=O)S"	0	NA	NA	1	1	"491644"	NA
"624202"	624202	""	"OC(CSSCCCCS(=O)O)C(O)CSSCCCCS(=O)O"	0	NA	NA	1	1	"491645"	NA
"624203"	624203	""	"OC(CSSCCCCS(=O)O)C(O)CSSCCCCS(=O)O"	0	NA	NA	1	1	"491646"	NA
"624205"	624205	""	"OS(=O)CCCCSSCCCCSSCCCCS(=O)O"	0	NA	NA	1	1	"491648"	NA
"624206"	624206	"C19H33Cl2NS2"	"CCCCCCCCCCNCCSSCc1ccc(Cl)cc1"	0	""	""	1	1	"361263"	NA
"624208"	624208	"2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one"	"CCOCC1=CC(=O)c2c(O)cc3OC(C)(C)CCc3c2O1"	0	""	""	1	1	"361266"	NA
"624213"	624213	"2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one"	"CC1(C)CCc2cc3C(=O)CC(C)(C)Oc3cc2O1"	0	""	""	1	1	"361271"	NA
"624221"	624221	"2-Cyclohexylphenyl phenylcarbamate"	"O=C(Nc1ccccc1)Oc2ccccc2C3CCCCC3"	0	""	""	1	1	"361278"	NA
"624227"	624227	"4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene"	"Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1"	0	""	""	1	1	"361284"	NA
"624229"	624229	""	"Cc1ccc(Oc2ccccc2N)cc1"	0	NA	NA	1	1	"491672"	NA
"624233"	624233	"2NO2Ph-S-4MeOPh"	"COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1"	0	""	""	1	1	"361291"	NA
"624239"	624239	"polyethylene glycol l-asparaginase"	NA	0	NA	NA	1	1	"491682"	NA
"624280"	624280	"5-[d-manno-pentitol-1-yl]tetrazole"	"OCC(O)C(O)C(O)C(O)c1nnn[nH]1"	0	NA	NA	1	1	"491694"	NA
"624285"	624285	"benzamide, n-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- nitro..."	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(c2)[N+](=O)[O-]"	0	""	""	4	3	"361311"	NA
"624350"	624350	""	"CC(C)C1CC[C@@H](C)C[C@@]1(O)CC(=O)N"	0	NA	NA	1	1	"491721"	NA
"624351"	624351	"N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine"	"C(C\N=C\c1cccc2ccccc12)\N=C\c3cccc4ccccc34"	0	""	""	1	1	"361325"	NA
"624352"	624352	"12-Methylidene-7-methylsulfonyltricyclo[6.3.1.02,7]dodecan-2-ol"	"CS(=O)(=O)C12CCCCC1(O)C3CCCC2C3=C"	0	""	""	1	1	"361326"	NA
"624358"	624358	"tricyclo[4.4.0.0(2,7)]decane-5-one, 4,4-dibromo-2-methyl-"	"CC12CC(Br)(Br)C(=O)C3C1CCCC23"	0	""	""	5	3	"361332"	NA
"624379"	624379	""	"CC1(C)[C@@H](O)CC[C@]2(C)C(=O)CCC=C12"	0	NA	NA	1	1	"491750"	NA
"624384"	624384	"4-oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid"	"OC(=O)C1CCC(=O)C2=C1CCCC2"	0	""	""	3	1	"361358"	NA
"624392"	624392	"ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCO)CCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	2	1	"361366"	NA
"624401"	624401	"2-Hydroxy-3-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	"COc1ccc(cc1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3ccc4cccnc4c3O"	0	""	""	1	1	"361375"	NA
"624404"	624404	""	"[Na+].CC(C)C1=CC(=O)C(=C(C=C1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3ccc(OCC(=O)O)cc3)O"	0	NA	NA	1	1	"491775"	NA
"624406"	624406	"5,7-Dihydroxy-6-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-phenylchromen-4-one"	"COc1ccc(cc1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3c(O)cc4OC(=CC(=O)c4c3O)c5ccccc5"	0	""	""	1	1	"361382"	NA
"624409"	624409	"5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC1CC2C(C(=O)NC2=O)c3[nH]c4ccccc4c13"	0	""	""	1	1	"361385"	NA
"624411"	624411	"12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"O=C1c2ccccc2C(=O)c3c1ccc4c5ccccc5n(Cc6ccccc6)c34"	0	""	""	1	1	"361387"	NA
"624412"	624412	"1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole"	"CC(C)(c1cn(Cc2ccccc2)c3ccccc13)c4cn(Cc5ccccc5)c6ccccc46"	0	""	""	1	1	"361388"	NA
"624414"	624414	"4-Amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide"	"Nc1ccc(cc1)C(=O)N\C(=C/c2cccc(c2)[N+](=O)[O-])\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3"	0	""	""	1	1	"5387512"	NA
"624417"	624417	"4-Amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide"	"Nc1ccc(cc1)C(=O)N\C(=C/c2ccc3OCOc3c2)\c4nc5ccc6C(=O)c7ccccc7C(=O)c6c5[nH]4"	0	""	""	1	1	"135429947"	NA
"624418"	624418	"N-[(Z)-1-(6,11-Dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide"	"[O-][N+](=O)c1cccc(\C=C(/NC(=O)c2ccccc2)\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3)c1"	0	""	""	1	1	"5387516"	NA
"624419"	624419	""	"Oc1nc(S)nc2[nH]c(nc12)\C(=C\c3cc(Cl)ccc3Cl)\NC(=O)c4ccccc4"	0	NA	NA	2	1	"491790"	NA
"624420"	624420	"benzamide, 4-amino-n-[2-(3-nitrophenyl)-1- (2-thio-6-hyd..."	"Nc1ccc(cc1)C(=O)N\C(=C/c2cccc(c2)[N+](=O)[O-])\c3nc4c(O)nc(S)nc4[nH]3"	0	""	""	4	2	"11979426"	NA
"624426"	624426	"benzamide, 4-amino-n-[1-(6,11-dihydro-6,11-dioxo-3h-anth..."	"Nc1ccc(cc1)C(=O)N\C(=C/C=C/c2occc2)\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3"	0	""	""	1	1	"5387523"	NA
"624431"	624431	"benzamide, n-[1-(6,11-dihydro-6,11-dioxo-1h-anthra[1,2-d..."	"COc1cc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc(OC)c1OC"	0	""	""	1	1	"135429949"	NA
"624432"	624432	"N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	"CC(=O)Nc1ccc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc1"	0	""	""	1	1	"135429950"	NA
"624433"	624433	""	"Clc1ccc2[nH]c(nc2c1)\C(=C\c3ccc(\C=C(/NC(=O)c4ccccc4)\c5nc6cc(Cl)ccc6[nH]5)cc3)\NC(=O)c7ccccc7"	0	NA	NA	1	1	"491804"	NA
"624434"	624434	""	"CC(=O)N\C(=C/c1ccc(\C=C(/NC(=O)C)\C2=NC3C(N2)C(=O)c4ccccc4C3=O)cc1)\C5=NC6C(N5)C(=O)c7ccccc7C6=O"	0	NA	NA	1	1	"491805"	NA
"624439"	624439	"acetamide, n-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dio..."	"CC(=O)N\C(=C/c1cccc(c1)[N+](=O)[O-])\c2nc3ccc4C(=O)c5ccccc5C(=O)c4c3[nH]2"	0	""	""	2	1	"5387535"	NA
"624482"	624482	"saponaceolide a"	"CC1(C)O[C@@]2(C)CC[C@]1(O)O[C@@]23CC[C@@H](CCC4CCC(=C)[C@H](C\C=C\5/[C@@H](O)COC5=O)C4(C)C)CO3"	0	NA	NA	2	2	"491853"	NA
"624488"	624488	"streptomyces antibiotic sf-2446-a-1"	"COC1C(C)OC(NC2=CC(=O)c3c(O)c4C(=O)C5(OC)C(O)Cc6cc(C)c(C(=O)OC)c(O)c6C5(O)C(=O)c4cc3C2=O)C(OC)C1O"	0	""	""	2	1	"197261"	NA
"624508"	624508	""	"CN(C)C1=CC(=O)OC(C1)\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	1	1	"491866"	NA
"624512"	624512	"(4Z,6Z)-4,6-dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one"	"CC1(C)O\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\O1"	0	""	""	1	1	"5387558"	NA
"624523"	624523	"7'-But-3-en-2-yl-7'-(3-phenylmethoxypropyl)spiro[1,3-dioxolane-2,2'-3,4,7a,8,9,10-hexahydro-1H-cyclopenta[i]indolizine]-6'-thione"	"CC(C=C)C1(CCCOCc2ccccc2)C3CCCC34CC5(CCN4C1=S)OCCO5"	0	""	""	1	1	"361486"	NA
"624544"	624544	"nitro trifluoro benzylurea"	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(c2)C(F)(F)F"	0	""	""	4	2	"361500"	NA
"624545"	624545	"benzamide, n-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- methy..."	"Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc3ncc(Cl)cn3"	0	""	""	2	2	"361501"	NA
"624546"	624546	"Acylurea"	"CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc3ncc(Cl)cn3"	0	""	""	3	2	"361502"	NA
"624547"	624547	"benzamide, n-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4- methy..."	"Cc1ccc(NC(=O)NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1Oc3ncc(Cl)cn3"	0	""	""	2	2	"361503"	NA
"624548"	624548	"benzamide, n-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chloro..."	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(Cl)c2"	0	""	""	7	2	"128803"	NA
"624575"	624575	"benzoic acid, 2-chloro-5-[[(2-methoxyphenyl)carbonyl] am..."	"COc1ccccc1C(=O)Nc2ccc(Cl)c(c2)C(=O)OC(C)C"	0	""	""	2	1	"361504"	NA
"624589"	624589	"Claenone"	"CC(=C1C2CC\C(=C/CCC3(C)O[C@@H]3C[C@]2(C)CC1=O)\C)C"	0	""	""	2	1	"5459116"	"112790428"
"624625"	624625	"7-Methyljuglone"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1"	0	NA	NA	2	2	"491914"	NA
"624656"	624656	"Methanediyl bis(dimethylcarbamate)"	"CN(C)C(=O)OCOC(=O)N(C)C"	0	""	""	2	1	"361531"	NA
"624657"	624657	"antineoplastic-624657"	"[ClH-][Sn+4]1([ClH-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	2	1	"581017"	NA
"624658"	624658	"antineoplastic-624658"	"[IH-][Sn+4]1([IH-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	2	1	"581018"	NA
"624659"	624659	"antineoplastic-624659"	"[BrH3-][Sn+4]1([BrH3-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	5	2	"581019"	NA
"624661"	624661	"1-(Diphenylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline"	"COc1cc2CCN(C)C(C(c3ccccc3)c4ccccc4)c2cc1OC"	0	""	""	2	1	"361533"	NA
"624664"	624664	"Bractein"	"OCC1OC(Oc2cc(O)cc3O\C(=C/c4cc(O)c(O)c(O)c4)\C(=O)c23)C(O)C(O)C1O"	0	""	""	1	1	"5387564"	NA
"624721"	624721	"N,N-diphenylbenzamidine"	"N=C(N(c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"361541"	NA
"624722"	624722	""	"N=C(N1CCCCC1)c2ccccc2"	0	NA	NA	1	1	"491954"	NA
"624725"	624725	""	"CN(\C(=N/O)\c1ccccc1)c2ccccc2"	0	NA	NA	1	1	"491957"	NA
"624738"	624738	"N'-[(1E)-(3-Fluorophenyl)methylene]isonicotinohydrazide"	"Fc1cccc(\C=N\NC(=O)c2ccncc2)c1"	0	""	""	1	1	"6791533"	NA
"624760"	624760	"(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	"COc1cc(Cl)c2CCCc3c(oc1c23)C(=O)c4ccccc4"	0	""	""	1	1	"361579"	NA
"624761"	624761	"(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	"COc1ccc2CCCc3c(oc1c23)C(=O)c4ccccc4"	0	""	""	1	1	"361580"	NA
"624769"	624769	"5-(2-Bromo-5-methoxyphenyl)pentanoic acid"	"COc1ccc(Br)c(CCCCC(=O)O)c1"	0	""	""	1	1	"361588"	NA
"624771"	624771	"5h-benzocyclohepten-5-one, 4-(acetyloxy)-6,6-dibromo- 6,..."	"CC(=O)Oc1cccc2CCCC(Br)(Br)C(=O)c12"	0	""	""	3	3	"361590"	NA
"624773"	624773	"7-tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone"	"CC(C)(C)c1cc(O)c2CCCC(=O)c2c1O"	0	""	""	1	1	"361592"	NA
"624796"	624796	"4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate"	"COc1ccc(OC(=O)C)c2C(=O)C=CCCc12"	0	""	""	1	1	"361611"	NA
"624800"	624800	"4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one"	"COc1ccc(O)c2C(=O)C=CC=Cc12"	0	""	""	1	1	"361615"	NA
"624806"	624806	".alpha.-boswellic acid acetate"	"CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4[C@@H]5CC(C)(C)CCC5(C)CCC34C)[C@@]1(C)C(=O)O"	0	""	""	6	2	"6711382"	NA
"624808"	624808	"1-(3,4,5-Trihydroxyoxan-2-yl)-3-[6-[(3,4,5-trihydroxyoxan-2-yl)carbamoylamino]hexyl]urea"	"OC1COC(NC(=O)NCCCCCCNC(=O)NC2OCC(O)C(O)C2O)C(O)C1O"	0	""	""	1	1	"361623"	NA
"624849"	624849	"(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate"	"CC(=O)Oc1cc2c(cc1OC(=O)C)C3(C)CCC2(C)c4cc(OC(=O)C)c(OC(=O)C)cc34"	0	""	""	1	1	"361632"	NA
"624851"	624851	"1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane"	"BrC1C(Br)C(=C(Br)Br)C1=C(Br)Br"	0	""	""	3	2	"361635"	NA
"624872"	624872	"CP-50"	"CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	""	""	1	1	"5030"	NA
"624873"	624873	"CP-49"	"CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCC"	0	""	""	1	1	"361655"	NA
"624876"	624876	"7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one"	"COc1ccc2oc3C(=O)CCC4CCc1c2c34"	0	""	""	1	1	"361658"	NA
"624880"	624880	"Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate"	"CCOC(=O)c1oc2c(OC)ccc3CCCc1c23"	0	""	""	1	1	"361662"	NA
"624883"	624883	"Ethyl 2-[[4-(2-ethoxy-2-oxo-ethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate"	"CCOC(=O)COc1ccc(OCC(=O)OCC)c2C(=O)CCCC(=O)c12"	0	""	""	1	1	"361665"	NA
"624902"	624902	""	"[Cl-][Pt+2]([Cl-])(P(C1CCCCC1)(C2CCCCC2)C3CCCCC3)P(C4CCCCC4)(C5CCCCC5)C6CCCCC6"	0	NA	NA	2	1	"492094"	NA
"624907"	624907	"Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCNCCO)C(=O)NC1=O"	0	""	""	1	1	"361688"	NA
"624943"	624943	""	"CC1=NC(=O)N2CCCNC2=C1C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	"492111"	NA
"624944"	624944	"N-(3,5-dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide"	"CC1=NNC2=C(C(=O)Nc3cc(Cl)cc(Cl)c3)C(=NC(=O)N12)C"	0	""	""	1	1	"135416664"	NA
"624946"	624946	""	"OCCN1CCN2C(=O)N=C(\C=C\c3ccccc3Cl)C=C12"	0	NA	NA	1	1	"492114"	NA
"624947"	624947	"pyrimidine-5-carboxamide, n-(4-chlorophenyl)-4- [2-[(4-c..."	"CC1=C(C(=O)Nc2ccc(Cl)cc2)C(=NC(=O)N1)N\N=C\c3ccc(Cl)cc3"	0	""	""	5	2	"5351359"	NA
"624948"	624948	"LS-134826"	"Clc1ccc(cc1)C(=O)NC2=C(NC(=O)NC2=O)C(=O)NC3CCCCC3"	0	""	""	1	1	"361707"	NA
"624954"	624954	"Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate"	"CCOC(=O)CN1CCS/C/1=N/C#N"	0	""	""	2	1	"361713"	NA
"624971"	624971	"Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate"	"COC(=O)C(=C=C)S(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	3	1	"361729"	NA
"624975"	624975	"2,5-norbornadiene-2-carboxylic acid, 3-formyl-, methylester"	"COC(=O)C1=C(C=O)C2CC1C=C2"	0	""	""	4	2	"361733"	NA
"624978"	624978	""	"O=C1\C(=C/c2ccccc2)\C3C(\C(=C\c4ccccc4)\C(=O)/C/3=C/c5ccccc5)/C/1=C\c6ccccc6"	0	NA	NA	1	1	"492145"	NA
"624982"	624982	"2,4-cyclopentadien-1-one, 2-bromo-3,4,5-triphenyl- (9ci)"	"BrC1=C(C(=C(C1=O)c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	4	4	"361740"	"73442554"
"625008"	625008	"Myricoidine Picrate"	"CC\C=C/C\C=C/C1CC(=O)NCCCNCCCCN1"	0	NA	NA	1	1	"492153"	NA
"625012"	625012	"CS-0110392"	"c1cc(cc(c1)c2cn[nH]c2)c3cn[nH]c3"	0	""	""	1	1	"361746"	NA
"625018"	625018	"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide"	"O=C(N(CCC#N)CCC#N)c1cccc(c1)C(=O)N(CCC#N)CCC#N"	0	""	""	2	1	"361752"	NA
"625020"	625020	"Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate"	"COC(=O)\C(=C(/N)\C(Cl)(Cl)Cl)\C#N"	0	""	""	1	1	"3004059"	NA
"625024"	625024	"1-methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole"	"Cn1ccnc1Cn2cc(cn2)c3cccc(c3)c4cn[nH]c4"	0	""	""	1	1	"361758"	NA
"625037"	625037	"1-(Bis(phenylthio)methyl)cycloheptanol"	"OC1(CCCCCC1)C(Sc2ccccc2)Sc3ccccc3"	0	""	""	1	1	"361771"	NA
"625045"	625045	"5,5-Bis(phenylthio)pentanal"	"O=CCCCC(Sc1ccccc1)Sc2ccccc2"	0	""	""	1	1	"361778"	NA
"625049"	625049	"Trimethyl(tris(phenylthio)methyl)silane"	"C[Si](C)(C)C(Sc1ccccc1)(Sc2ccccc2)Sc3ccccc3"	0	""	""	1	1	"361782"	NA
"625065"	625065	"Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane"	"C[Si](C)(C)C1(Sc2ccccc2)SCCCS1"	0	""	""	1	1	"361793"	NA
"625110"	625110	"Suillin"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\Cc1c(O)c(O)ccc1OC(=O)C)\C)\C)\C)C"	0	""	""	1	1	"5387599"	"103538030"
"625111"	625111	"2-(4-Nitrophenyl)-1-oxido-indol-1-ium-3-one"	"[O-][N+](=O)c1ccc(cc1)C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	1	1	"361797"	NA
"625122"	625122	""	"c1ccc(cc1)P(=C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"492213"	NA
"625129"	625129	""	"CCC1=C(C)\C(=C\c2[nH]c(CBr)c(CC)c2C)\N=C1CBr"	0	NA	NA	1	1	"492220"	NA
"625130"	625130	""	"CCC1=C(C)\C(=C\c2[nH]c(C(Br)Br)c(CC)c2C)\N=C1C(Br)Br"	0	NA	NA	1	1	"492221"	NA
"625133"	625133	"cyclohepta-1,3-diene-1,2,3,4,5,5,6,7-octacarboxylic acid..."	"COC(=O)C1C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(=C(C(=O)OC)C(=C1C(=O)OC)C(=O)OC)C(=O)OC"	0	""	""	3	3	"361816"	NA
"625134"	625134	"Tetrabromo-3-cyclopentene-1,2-dione"	"BrC1=C(Br)C(Br)(Br)C(=O)C1=O"	0	""	""	1	1	"361817"	NA
"625145"	625145	""	"CCOc1ccc(OCC)c(c1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"492235"	NA
"625146"	625146	"Phosphonium, (2-ethoxy-5-hydroxyphenyl)triphenyl-, iodide"	"CCOc1ccc(O)cc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"361829"	NA
"625150"	625150	"ethyl heptamethyl[?]carboxylate"	"CCOC(=O)C1(C)c2oc(cc2)C(C)(C)c3oc(cc3)C(C)(C)c4oc(cc4)C(C)(C)c5oc1cc5"	0	""	""	1	1	"361834"	NA
"625154"	625154	"21-oxabicyclo[16.2.1]heneicosane-4,9,14,18,20-pentaene, ..."	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)c2oc(cc2)C(C)(C)C(=O)\C=C/C1=O"	0	""	""	3	3	"5387611"	NA
"625155"	625155	"Octamethyl-cycloeicosa-4,9,14,19-tetraen-1,3,6,8,11,13,16,18-octaone"	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C1=O"	0	""	""	3	3	"5387612"	NA
"625156"	625156	"(4Z)-14,15-dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone"	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)c2oc(cc2)C(C)(C)C(=O)C(Br)C(Br)C(=O)C(C)(C)c3oc1cc3"	0	""	""	4	4	"5387613"	NA
"625171"	625171	"4-Amino-5-nitro-9H-fluoren-9-one"	"Nc1cccc2C(=O)c3cccc(c3c12)[N+](=O)[O-]"	0	""	""	1	1	"5144559"	NA
"625174"	625174	"propanedinitrile, 2-(phenylmethyl)thio-"	"N#CC(SCc1ccccc1)C#N"	0	""	""	3	2	"361853"	NA
"625178"	625178	"4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione"	"O=C(CC(=S)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3)C=P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"361857"	NA
"625192"	625192	"N,N'-(1,2-Phenylene)bis(triphenylphosphine imide)"	"c1ccc(cc1)P(=Nc2ccccc2N=P(c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"361870"	NA
"625193"	625193	"Ferprenin"	"CC(=CCC\C(=C\CCC1(C)OC2=C(C=C1)C(=O)Oc3ccccc23)\C)C"	0	""	""	2	1	"5387614"	NA
"625195"	625195	"3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	1	1	"361873"	NA
"625218"	625218	""	"C\C(=N/NC(=S)N)\c1ccc(cc1)C2CCCCC2"	0	NA	NA	1	1	"492285"	NA
"625220"	625220	"N-[(E)-[3-(dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride"	"CN(C)CC\C(=N/Nc1ccccc1)\c2ccccc2"	0	""	""	1	1	"9569913"	NA
"625223"	625223	"STL297573"	"C\C(=N/NC(=S)N)\c1ccc(Oc2ccccc2)cc1"	0	""	""	1	1	"9569914"	NA
"625224"	625224	""	"CCOC(=O)c1ccc(cc1)\C(=N\NC(=S)N)\C"	0	NA	NA	1	1	"492291"	NA
"625255"	625255	"benfluron"	"CN(C)CCOc1cc2C(=O)c3ccccc3c2c4ccccc14"	0	""	""	2	2	"54569"	NA
"625257"	625257	"benfluron, n-oxide-"	"C[N+](C)([O-])CCOc1cc2C(=O)c3ccccc3c2c4ccccc14"	0	""	""	2	1	"124631"	NA
"625298"	625298	"(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](C)(CC)CN1"	0	""	""	1	1	"498319"	NA
"625299"	625299	"(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum"	"[Cl-][Pt+2]1([Cl-])NC[Si](C)(CC)CN1"	0	""	""	1	1	"498321"	NA
"625300"	625300	"N-[(E)-2-(2,5-dihydroxyphenyl)vinyl]-N-methyl-formamide"	"CN(C=O)\C=C\c1cc(O)ccc1O"	0	""	""	3	2	"5916696"	NA
"625301"	625301	"N-(2,5-dihydroxystyryl)acetamide"	"CC(=O)N\C=C\c1cc(O)ccc1O"	0	""	""	3	2	"6105823"	NA
"625314"	625314	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-"	"Cc1cc(C)c2N3CN(Cc2c1C)c4c(C)cc(C)c(C)c4C3"	0	""	""	1	1	"361902"	NA
"625315"	625315	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-"	"Cc1cc(C)c2N3CN(Cc2c1)c4c(C)cc(C)cc4C3"	0	""	""	1	1	"361903"	NA
"625316"	625316	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-"	"COc1cc(C)c2N3CN(Cc2c1)c4c(C)cc(OC)cc4C3"	0	""	""	1	1	"361904"	NA
"625317"	625317	"2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine"	"Cc1ccc2NCc3cc(C)ccc3NCc2c1"	0	""	""	1	1	"361905"	NA
"625318"	625318	"2-(5,13-Dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-17-yl)phenol"	"Cc1ccc2N3Cc4cc(C)ccc4N(Cc2c1)C3c5ccccc5O"	0	""	""	1	1	"361906"	NA
"625324"	625324	"dermazin"	"Nc1ccc(cc1)S2(=O)=O[Ag+][n+]3cccnc3[N-]2"	0	NA	NA	2	2	"581027"	"22199082"
"625326"	625326	"2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid"	"NC1=C(C(=O)O)C(=O)C(=CC1=O)Nc2c(O)cccc2C(=O)O"	0	""	""	2	1	"135429956"	NA
"625328"	625328	"Osthenol"	"CC(=CCc1c(O)ccc2C=CC(=O)Oc12)C"	0	""	""	2	1	"5320318"	NA
"625349"	625349	"1,3-Benzodioxol-5-ylmethyl(2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate"	"O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)OCc3ccc4OCOc4c3"	0	""	""	2	1	"361914"	NA
"625350"	625350	"benzenepropanoic acid, .beta.-(benzoylamino)-.alpha.- hy..."	"OC(C(NC(=O)c1ccccc1)c2ccccc2)C(=O)OCc3ccc4C(=O)c5ccccc5C(=O)c4c3"	0	""	""	8	6	"361915"	NA
"625351"	625351	"12-Phenyl-10,12,14-triazatetracyclo[7.5.1.01,5.010,14]pentadeca-5,7-diene-4,11,13-trione"	"O=C1CCC23CC(C=CC=C12)N4N3C(=O)N(C4=O)c5ccccc5"	0	""	""	2	1	"361916"	NA
"625352"	625352	"2-[5-(2-hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one"	"Oc1ccccc1C(=O)C2=CC(=C(NC2=O)c3ccccc3O)c4ncc5C(=O)c6ccccc6Oc5n4"	0	""	""	2	1	"361917"	NA
"625353"	625353	"11,12-Dihydroquino[2,3-b][1,5]benzoxazepine"	"C1Nc2ccccc2Oc3nc4ccccc4cc13"	0	""	""	2	1	"361918"	NA
"625354"	625354	"2-Hydroxy-4-oxo-1-(prop-2-yn-1-yl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile"	"OC1=C(C#N)C(=O)N(CC#C)c2nc3ccccc3cc12"	0	""	""	2	1	"54676230"	NA
"625355"	625355	"1-(2'-deoxy-2'-fluoro-d-arabinofuranosyl)- 1,2-pyrimidin..."	"OCC1OC(C(F)C1O)N2C=CC=NC2=O"	0	""	""	3	1	"361920"	NA
"625409"	625409	"3-((1h-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1h-indole-..."	"[O-][N+](=O)c1ccc2c(c1)c(Cn3ccnc3)c(C=O)n2Cc4ccccc4"	0	""	""	2	1	"361928"	NA
"625413"	625413	"2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone"	"CC1C(CCC1=O)C(Sc2ccccc2)(Sc3ccccc3)Sc4ccccc4"	0	""	""	1	1	"361932"	NA
"625418"	625418	"n-benzyl-2(r)-formyl-3(r),4(r),5(s)-tribenzyloxy  piperi..."	"O\N=C\C1C(OCc2ccccc2)C(OCc3ccccc3)C(CN1Cc4ccccc4)OCc5ccccc5"	0	NA	NA	1	1	"492357"	NA
"625425"	625425	"10-ketostearic acid"	"CCCCCCCCC(=O)CCCCCCCCC(=O)O"	0	""	""	1	1	"361941"	NA
"625431"	625431	"8-oxostearic acid"	"CCCCCCCCCCC(=O)CCCCCCC(=O)O"	0	""	""	1	1	"361946"	NA
"625447"	625447	"octyl glyceryl ether"	"CCCCCCCCOCC(O)CO"	0	""	""	1	1	"112041"	NA
"625456"	625456	"[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide"	"CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1"	0	""	""	1	1	"361972"	NA
"625457"	625457	"Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCC)cc1"	0	""	""	2	1	"361974"	NA
"625458"	625458	"[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCCCC)cc1"	0	""	""	1	1	"361976"	NA
"625459"	625459	""	"CCCCCCCCCCCCCCCCOP(=O)(O)Oc1ccc(\C=C/c2ccc(OP(=O)(O)OCCCCCCCCCCCCCCCC)cc2)cc1"	0	NA	NA	1	1	"492398"	NA
"625473"	625473	"Benzimidazole derivative"	"Fc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"361994"	NA
"625474"	625474	"1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Brc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"361995"	NA
"625475"	625475	"1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Brc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"361996"	NA
"625476"	625476	"1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"361997"	NA
"625482"	625482	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-"	"Clc1cccc(Cl)c1C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362003"	NA
"625492"	625492	"bismuth, dichloro(1-piperidinylcarbamodithioato-s,s')-, ..."	"[Cl-][Bi+3]1([Cl-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	4	3	"492427"	NA
"625493"	625493	""	"[Cl-][Bi+3]1([Cl-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	2	2	"492428"	NA
"625494"	625494	""	"[I-][Bi+3]1([I-])[SH-]C(=S1)N2CCSCC2"	0	NA	NA	1	1	"492429"	NA
"625495"	625495	"1-piperidinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]1([Br-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	3	2	"492430"	NA
"625496"	625496	""	"[I-][Sb+3]1([I-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	"492431"	NA
"625497"	625497	"4-thiomorpholinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]1([Br-])[SH-]C(=S1)N2CCSCC2"	0	NA	NA	3	3	"492432"	NA
"625498"	625498	"4-morpholinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]12([Br-][Sb+3]3([Br-])([SH-]C(=S3)N4CCOCC4)S=C([SH-]1)N5CCOCC5)[SH-]C(=S2)N6CCOCC6"	0	NA	NA	5	2	"492433"	NA
"625499"	625499	"antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi..."	"[I-][Sb+3]12([I-][Sb+3]3([I-])([SH-]C(=S3)N4CCSCC4)S=C([SH-]1)N5CCSCC5)[SH-]C(=S2)N6CCSCC6"	0	NA	NA	4	2	"492434"	NA
"625500"	625500	""	"[Cl-][Bi+3]12([SH-]C(=S1)N3CCSCC3)[SH-]C(=S2)N4CCSCC4"	0	NA	NA	1	1	"492435"	NA
"625501"	625501	"1-piperidinecarbodithioic acid, antimony complex"	"[Cl-][Sb+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	4	3	"492436"	NA
"625502"	625502	"4-morpholinecarbodithioic acid, antimony complex"	"[Cl-][Sb+3]12([SH-]C(=S1)N3CCOCC3)[SH-]C(=S2)N4CCOCC4"	0	NA	NA	3	3	"492437"	NA
"625503"	625503	""	"[Br-][Bi+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	1	1	"492438"	NA
"625504"	625504	""	"[Br-][Sb+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	1	1	"492439"	NA
"625505"	625505	""	"[Br-][Sb+3]12([SH-]C(=S1)N3CCSCC3)[SH-]C(=S2)N4CCSCC4"	0	NA	NA	1	1	"492440"	NA
"625507"	625507	""	"[Br-][Bi+3]1([Br-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	1	1	"492442"	NA
"625508"	625508	""	"[Br-][Bi+3]1([Br-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	"492443"	NA
"625509"	625509	""	"[I-][Bi+3]1([I-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	"492444"	NA
"625510"	625510	""	"[I-][Sb+3]1([I-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	1	1	"492445"	NA
"625513"	625513	"Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate"	"CCOC(=O)NC(=O)C1=CN(CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	1	1	"362009"	NA
"625516"	625516	"Trunculin A"	"C[C@H]([C@H]1CC[C@@](C)(CCC2=C(C)CC3C=C(C)CCC3C2(C)C)OO1)C(=O)O"	0	""	""	2	2	"5459125"	NA
"625517"	625517	"Trunculin B"	"C[C@H]([C@H]1CC[C@](C)(OO1)[C@H]2CC3C(C)(C)[C@H]4CCC(=C[C@H]4C[C@@]3(C)O2)C)C(=O)O"	0	NA	NA	1	1	"492452"	NA
"625537"	625537	"10-(2',4'-Dichlorophenyl)-3-methylflavin"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3Cl)c4ccccc4N=C2C1=O"	0	""	""	1	1	"362038"	NA
"625538"	625538	"manganese, bis(acetato-o)[(phenyl-2-pyridinyl-methanone(..."	"CC(=O)[O-][Mn+2]12([O-]C(=O)C)[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	3	2	"581028"	NA
"625539"	625539	"iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-..."	"[ClH-][Fe+3]12([ClH-])([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	2	2	"9578814"	NA
"625540"	625540	""	"[O-]S(=O)(=O)[O-][Fe+2]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	1	1	"581030"	NA
"625541"	625541	"Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine"	"[ClH-][Co+2]12([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	1	1	"9578816"	NA
"625542"	625542	"methanone, phenyl-2-pyridyl-, 2-pyridylhydrazone, nickel..."	"CC(=O)[O-][Ni+]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	4	3	"581032"	NA
"625543"	625543	"antineoplastic-625543"	"[ClH-][Cu+2]12([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	4	4	"9578818"	NA
"625544"	625544	""	"CC(=O)[O-][Zn+]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	2	2	"581034"	NA
"625545"	625545	"Phenazinomycin"	"C\C(=C/CN1C2=CC=CC(=O)C2=Nc3ccccc13)\CC[C@@H]4C(=C)CCCC4(C)C"	0	""	""	2	1	"5459126"	NA
"625546"	625546	"Cordigone"	"Oc1ccc(cc1)C2OC(C(C2C(=O)c3ccc(O)cc3O)C(=O)c4ccc(O)cc4O)c5ccc(O)cc5"	0	""	""	1	1	"362039"	"117458374"
"625547"	625547	"Itomanindole A"	"CSc1c([nH]c2cc(Br)cc(Br)c12)S(=O)C"	0	""	""	1	1	"362040"	NA
"625558"	625558	""	"OCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)O"	0	NA	NA	1	1	"492483"	NA
"625563"	625563	""	"COC(=O)\C=C/C1C(C(=O)OC)C2(CCC1(N2)C(=O)OC)C(=O)OC"	0	NA	NA	2	2	"492486"	NA
"625564"	625564	"Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate"	"COC(=O)\C=C\C(=O)C1C(C(=O)OC)C2(CCC1(N2)C(=O)OC)C(=O)OC"	0	""	""	1	1	"5777548"	NA
"625565"	625565	""	"OC[C@@H]1CC#C\C=C/C#CC[C@@H]1CO"	0	NA	NA	1	1	"492488"	NA
"625566"	625566	"5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione"	"CC(O[Si](C)(C)C)C1C=CC(C)N2N1C(=O)N(C2=O)c3ccccc3"	0	""	""	1	1	"362054"	NA
"625567"	625567	""	"COC(=O)C12N(C)C(=O)C(C)C1(O)[C@@H](C)OC2=O"	0	NA	NA	1	1	"492490"	NA
"625568"	625568	""	"C[C@H]1OC(=O)C2(CO)N(C)C(=O)C(C)C12O"	0	NA	NA	1	1	"492491"	NA
"625582"	625582	"N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine"	"N(c1ccccc1)c2c(\C=C\c3ccccc3)ccc4ccccc24"	0	""	""	2	1	"5387657"	NA
"625584"	625584	"1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one"	"Clc1ccc(cc1)C2(OC(=O)c3ccc4ccccc4c23)c5ccc(Cl)cc5"	0	""	""	1	1	"362062"	NA
"625587"	625587	"9'-Methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one"	"COc1cccc2ccc3c(C(=O)OC34CCc5c(C)cccc45)c12"	0	""	""	3	2	"362065"	NA
"625592"	625592	"3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	"FC(F)(F)c1cccc(c1)C2OC(=O)c3c2ccc4ccccc34"	0	""	""	2	1	"362069"	NA
"625603"	625603	"3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	"FC(F)(F)c1cccc(c1)C2(OC(=O)c3c2ccc4ccccc34)c5cccc(c5)C(F)(F)F"	0	""	""	2	1	"362080"	NA
"625612"	625612	"6-(2-((5-((2-((5-Cyanopentyl)oxy)ethoxy)methyl)-2,2-bis(7-(3,5-di-tert-butylphenyl)heptyl)-1,3-dioxolan-4-yl)methoxy)ethoxy)hexanenitrile"	"CC(C)(C)c1cc(CCCCCCCC2(CCCCCCCc3cc(cc(c3)C(C)(C)C)C(C)(C)C)OC(COCCOCCCCCC#N)C(COCCOCCCCCC#N)O2)cc(c1)C(C)(C)C"	0	""	""	1	1	"362089"	NA
"625624"	625624	"7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-"	"CC12OOC(c3ccccc13)c4c2ccc5ccccc45"	0	""	""	3	3	"362095"	NA
"625625"	625625	"benz[a]anthracene-1,4-dione, 1,4-dihydro-7,12-dimethyl-"	"Cc1c2ccccc2c(C)c3c4C(=O)C=CC(=O)c4ccc13"	0	""	""	2	2	"362096"	NA
"625626"	625626	"FGSXSCOUEIAMOA-UHFFFAOYSA-N"	"Cc1cc(C)c2c(CSCc3cc(C)cc(C)c23)c1"	0	""	""	1	1	"362097"	NA
"625635"	625635	"Mercury;naphthalene-1,8-dicarboxylic acid"	"[Hg+].OC(=O)c1cccc2cccc(C(=O)O)c12"	0	""	""	1	1	"24202090"	NA
"625637"	625637	"10,10-Dibromo-9(10H)-anthracenone"	"BrC1(Br)c2ccccc2C(=O)c3ccccc13"	0	""	""	2	1	"362108"	NA
"625639"	625639	""	"Cc1ccccc1NC(=O)\C=N\O"	0	NA	NA	1	1	"492544"	NA
"625642"	625642	"Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-"	"Cc1ccccc1C2OC(=O)c3ccc4ccccc4c23"	0	""	""	2	2	"362113"	NA
"625709"	625709	"1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione"	"CN1C(=O)c2ccccc2NC(=O)c3cnn(C)c13"	0	""	""	2	1	"362133"	NA
"625731"	625731	"N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine"	"CC(C)CC\N=C/1\C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	""	""	2	1	"362143"	NA
"625732"	625732	"1-[3-[(Z)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one"	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N/CCCN5CCCC5=O)c6ccc(Cl)cc6)cc1"	0	""	""	2	2	"362144"	NA
"625733"	625733	"2-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1c2ccccc2c(Cl)c3ccccc13"	0	""	""	2	1	"9569917"	NA
"625734"	625734	""	"ONC(=N)N\N=C/c1cccc(CC=C)c1O"	0	NA	NA	2	1	"492581"	NA
"625735"	625735	""	"ONC(=N)N\N=C\c1cc2OCOc2cc1Cl"	0	NA	NA	2	1	"492582"	NA
"625736"	625736	"2-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C\c1ccc2OCCOc2c1"	0	""	""	2	1	"9569923"	NA
"625737"	625737	"1-hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"135510075"	NA
"625738"	625738	""	"ONC(=N)N\N=C/c1cc(Cl)cc(Cl)c1O"	0	NA	NA	2	2	"492585"	NA
"625741"	625741	"1-hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1ccccc1O"	0	""	""	2	2	"135510083"	NA
"625742"	625742	"1-hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C\c1ncccc1O"	0	""	""	2	2	"135510085"	NA
"625746"	625746	"4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one"	"CC1Cc2c(N)nc(nc2NC1=O)N3CCOCC3"	0	""	""	1	1	"362168"	NA
"625769"	625769	"brominated ata polymer, bromine content 28.9%"	NA	0	NA	NA	1	1	"492611"	NA
"625774"	625774	"N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine"	"CN(COC(=O)c1ccccc1)c2nc(nc(n2)N(C)COC(=O)c3ccccc3)N(C)COC(=O)c4ccccc4"	0	""	""	2	2	"362185"	NA
"625783"	625783	""	"COCOC1C[C@]23CCC[C@@]2(C1)C(=C)C(=O)C3"	0	NA	NA	2	1	"492622"	NA
"625801"	625801	"2-(5',7'-Dimethoxyspiro[1,3-dithiolane-2,4'-2,3-dihydro-1H-naphthalene]-2'-yl)acetonitrile"	"COc1cc2CC(CC#N)CC3(SCCS3)c2c(OC)c1"	0	""	""	1	1	"362202"	NA
"625814"	625814	"1,2-Bis(4,5-dichloro-6-oxopyridazin-1(6H)-yl)ethane-1,2-dione"	"ClC1=C(Cl)C(=O)N(N=C1)C(=O)C(=O)N2N=CC(=C(Cl)C2=O)Cl"	0	""	""	2	2	"362212"	NA
"625817"	625817	"2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid"	"OC(=O)\C(=C(/Cl)\C=N\NC(=O)c1cc2ccccc2cc1O)\Cl"	0	""	""	1	1	"9569937"	NA
"625818"	625818	"STL505784"	"COC(=O)CSc1nnc([nH]1)c2ccccc2"	0	""	""	1	1	"362215"	NA
"625823"	625823	"N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide"	"Sc1nnc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]1"	0	""	""	1	1	"3004072"	NA
"625828"	625828	"N-(4-Methylphenyl)-3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide"	"Cc1ccc(NC(=O)CCc2nnc3S\C(=C/C=C/c4ccccc4)\C(=O)n23)cc1"	0	""	""	4	1	"5387697"	NA
"625839"	625839	"4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	"NNC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	"362235"	NA
"625840"	625840	"N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide"	"CCOc1ccccc1NC(=O)CCC(=O)NN"	0	""	""	1	1	"362236"	NA
"625855"	625855	"6-(2-Naphthalen-2-yl-2-oxoethyl)-3-[7-[6-(2-naphthalen-2-yl-2-oxoethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one"	"O=C(CC1=Nc2nnc(CCCCCCCc3nnc4N=C(CC(=O)c5ccc6ccccc6c5)C(=O)n34)n2C1=O)c7ccc8ccccc8c7"	0	""	""	1	1	"362251"	NA
"625857"	625857	""	"Clc1cc(Cl)c2[O-][Mn+2]3([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	NA	NA	1	1	"581042"	NA
"625858"	625858	"Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron"	"Clc1cc(Cl)c2[O-][Fe+3]3([ClH-])([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	""	""	1	1	"135484778"	NA
"625860"	625860	""	"Clc1cc(Cl)c2[O-][Co+2]3([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	NA	NA	1	1	"492690"	NA
"625861"	625861	"1-[?]ethanone"	"CC(=O)[O-][Ni+2]12(Oc3c(Cl)cc(Cl)cc3C=[N+]1NC(=O2)c4ccncc4)[O-]C(=O)C"	0	""	""	1	1	"135508855"	NA
"625863"	625863	""	"CC(=O)[O-][Zn+2]12[O-]c3c(Cl)cc(Cl)cc3C=[N+]1Nc4cccc[n+]24"	0	NA	NA	1	1	"492693"	NA
"625864"	625864	""	"CC(=O)[O-][Mn+2]12(O=C(N[N+]1=Cc3cc(Cl)cc(Cl)c3[OH+]2)c4ccncc4)[O-]C(=O)C"	0	NA	NA	1	1	"581044"	NA
"625866"	625866	""	"[O-]S(=O)(=O)[O-][Fe+2]12O=C(N[N+]1=Cc3cc(Cl)cc(Cl)c3[OH+]2)c4ccncc4"	0	NA	NA	1	1	"581045"	NA
"625873"	625873	"[3,4,5-Triacetyloxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-sulfanylidene-1,2,4-triazin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccccc1CC2=NC(=NN(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C2=S)c4ccccc4"	0	""	""	2	2	"362262"	NA
"625875"	625875	"2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide"	"CCOc1ccc(NC(=O)\C(=C\c2ccccc2)\C(=O)C)cc1"	0	""	""	2	1	"5387707"	NA
"625876"	625876	""	"COc1ccc(NC(=O)\C(=C\c2ccccc2)\C(=O)C)cc1"	0	NA	NA	1	1	"492702"	NA
"625878"	625878	"dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate"	"COC(=O)C1CC(C(=O)OC)c2nc3cc(ccc3nc12)[N+](=O)[O-]"	0	""	""	2	2	"362267"	NA
"625882"	625882	"2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Cc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c(C)c1"	0	""	""	2	1	"362271"	NA
"625883"	625883	"2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Cc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	1	1	"362272"	NA
"625894"	625894	"N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide"	"Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CC/C/2=N\NC(=O)c3cc4ccccc4cc3O)cc1C"	0	""	""	1	1	"9569938"	NA
"625902"	625902	""	"NC1=NN(C(=O)C1\C(=N/NC(=O)c2cc3ccccc3cc2O)\C(=O)Nc4nc(cs4)[N+](=O)[O-])c5ccccc5"	0	NA	NA	2	1	"492728"	NA
"625985"	625985	"2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine"	"CCN(CC)CCSc1c2ccccc2nc3c(OC)ccc(OC)c13"	0	""	""	3	2	"362326"	NA
"625991"	625991	"1,4-Dihydroxy-9(10H)-acridinone"	"Oc1ccc(O)c2C(=O)c3ccccc3Nc12"	0	""	""	2	1	"5387718"	NA
"626016"	626016	"12-[11-[4-[2-(4-Oxocyclohexa-2,5-dien-1-ylidene)ethylidene]pyridin-1-yl]undecanoylamino]-N-pentyldodecanamide"	"CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1"	0	""	""	1	1	"362343"	NA
"626029"	626029	"naphth[2,3-d]oxazol-4(9h)-one, 2-(1,1-dimethylethyl)-9- ..."	"CC(C)(C)c1oc2\C(=N/c3ccccc3)\c4ccccc4C(=O)c2n1"	0	""	""	4	4	"362344"	NA
"626030"	626030	"naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4- ..."	"CC(C)(C)c1oc2\C(=N/c3ccc(F)cc3)\c4ccccc4C(=O)c2n1"	0	""	""	4	3	"362345"	NA
"626097"	626097	"4-[(4-Chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-(p-tolyl)tetrahydrofuran-3-ol"	"Cc1ccc(cc1)C2OC(COCc3ccc(Cl)cc3)C(OCc4ccc(Cl)cc4)C2O"	0	""	""	1	1	"362352"	NA
"626099"	626099	"4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran"	"COC1OC(COCc2ccc(Cl)cc2)C(OCc3ccc(Cl)cc3)C1N=[N+]=[N-]"	0	""	""	1	1	"362354"	NA
"626103"	626103	""	"Cc1cccc2c(C3Cc4ccccc4N3)c(C)[nH]c12"	0	NA	NA	1	1	"492793"	NA
"626105"	626105	""	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccccc3"	0	NA	NA	1	1	"492795"	NA
"626106"	626106	"2-(o-tolyl)-1-oxido-indol-1-ium-3-one"	"Cc1ccccc1C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	1	1	"362360"	NA
"626107"	626107	"5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one"	"[O-][N+]1=C(C(=O)c2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	"362361"	NA
"626108"	626108	"1-Oxido-2-(p-tolyl)indol-1-ium-3-one"	"Cc1ccc(cc1)C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	2	1	"362362"	NA
"626109"	626109	"3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide"	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccc(Cl)cc3"	0	""	""	1	1	"362363"	NA
"626112"	626112	"2-(4-Bromophenyl)-1-oxido-indol-1-ium-3-one"	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccc(Br)cc3"	0	""	""	1	1	"362366"	NA
"626114"	626114	""	"Cc1cccc2CC(Nc12)c3c(C)[nH]c4ccccc34"	0	NA	NA	1	1	"492804"	NA
"626121"	626121	"4-quinolinemethanol,  6-methoxy-2-(2-thienyl)-.alpha.-[(..."	"COc1ccc2nc(cc(C(O)CN3CCSCC3)c2c1)c4cccs4"	0	""	""	1	1	"362377"	NA
"626146"	626146	"4,13.alpha.-epoxymuzigadial"	"CC1CCC2(C)C(CC=C(C=O)C2(O)C=O)C13CO3"	0	""	""	2	1	"362379"	NA
"626151"	626151	"1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea"	"S=C(NCCCCCCNC(=S)Nc1c2ccccc2nc3ccccc13)Nc4c5ccccc5nc6ccccc46"	0	""	""	4	1	"3004086"	NA
"626155"	626155	"2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-"	"CCCCC1=C(Br)C(=C(Br)Br)OC1=O"	0	""	""	2	1	"362385"	NA
"626156"	626156	"Sterol sulphate"	"CC(=O)[C@H]1CCC2[C@@H]3CC=C4C(O)C(CC[C@]4(C)C3CC[C@]12C)OS(=O)(=O)O"	0	""	""	2	1	"362386"	NA
"626158"	626158	"Hymenialdisine"	"NC1=NC(=O)\C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)\N1"	0	NA	NA	2	2	"492824"	NA
"626159"	626159	"Girolline"	"NCC(Cl)C(O)c1c[nH]c(N)n1"	0	""	""	2	2	"362388"	NA
"626161"	626161	"2-Hydroxy discorhabdin D"	"OC12C[C@@]34CC(NC5=C3C6=[N+]1CCc7c[nH]c(C5=O)c67)SC4=CC2=O"	0	""	""	2	1	"362391"	NA
"626162"	626162	"Discorhabdin C . TFA"	"BrC1=CC2(CCNC3=C2C4=NCCc5c[nH]c(C3=O)c45)C=C(Br)C1=O"	0	""	""	5	5	"362393"	NA
"626163"	626163	"Discorhabdin C-nitrodienone . TFA"	"[O-][N+](=O)C12CCNC3=C(C4=NCCc5c[nH]c(C3=O)c45)C1=C(Br)C(=O)C(=C2)Br"	0	""	""	2	1	"362394"	NA
"626164"	626164	"Discorhabdin C-phenol . TFA"	"Oc1c(Br)cc2CCNC3=C(C4=NCCc5c[nH]c(C3=O)c45)c2c1Br"	0	""	""	2	1	"362396"	NA
"626166"	626166	"Discorhabdin C-dienol . TFA"	"OC1C(=CC2(CCNC3=C2C4=NCCc5c[nH]c(C3=O)c45)C=C1Br)Br"	0	""	""	2	2	"362400"	NA
"626167"	626167	"Aplidazole C . TFA"	"COc1cc(ccc1O)C2(SSSCC2O)c3ncc[nH]3"	0	""	""	2	2	"362402"	NA
"626171"	626171	"7,17,18-trimethoxy mycalamide a"	"COC[C@H](C[C@H]1OC2[C@@H](NC(=O)C(OC)C3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)OCO[C@@H]2C(OC)C1(C)C)OC"	0	""	""	1	1	"6711422"	NA
"626172"	626172	"7,17,18-trimethoxy, n-methyl mycalamide a"	"COC[C@H](C[C@H]1OC2[C@H](OCO[C@@H]2N(C)C(=O)C(OC)C3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)C(OC)C1(C)C)OC"	0	""	""	1	1	"6711423"	NA
"626174"	626174	"5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine"	"C[N+]12c3ccccc3[O-][B+3]1([O-]c4ccccc24)[c-]5ccccc5"	0	""	""	1	1	"494513"	NA
"626176"	626176	"Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate"	"COC1=C(C(=O)OC(C)(C)C)C23CCCCC2(C1C(=O)OC(C)(C)C)C(=C(OC)C3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	"362411"	NA
"626303"	626303	"2,6-dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine"	"Cc1oc2\C(=N\c3ccccc3)\c4nc(C)oc4\C(=N/c5ccccc5)\c2n1"	0	""	""	1	1	"362418"	NA
"626306"	626306	"Austrocortilutein"	"COc1cc(O)c2C(=O)C3=C(C[C@](C)(O)CC3O)C(=O)c2c1"	0	""	""	2	1	"5459129"	NA
"626307"	626307	"austrocortirubin"	"COC1=CC(=O)c2c(O)c3C(O)C[C@@](C)(O)Cc3c(O)c2C1=O"	0	""	""	5	2	"5459130"	NA
"626314"	626314	""	"COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)[C@@H](NC(=O)c4cccs4)c5cc6OCOc6cc25"	0	NA	NA	2	2	"492870"	NA
"626316"	626316	""	"COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)C(NCC(O)CO)c4cc5OCOc5cc24"	0	NA	NA	1	1	"492872"	NA
"626317"	626317	""	"COc1cc(CNC2C3COC(=O)[C@@H]3C(c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25)cc(OC)c1OC"	0	NA	NA	1	1	"492873"	NA
"626364"	626364	""	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(N)c4cc5OCOc5cc24"	0	NA	NA	1	1	"492876"	NA
"626369"	626369	"illudin s"	"CC1=C2C(O)C(C)(CO)C=C2C(=O)C(C)(O)C13CC3"	0	NA	NA	5	5	"492878"	"1149991"
"626370"	626370	"illudin m"	"CC1=C2C(O)C(C)(C)C=C2C(=O)C(C)(O)C13CC3"	0	NA	NA	5	4	"492879"	"1146049"
"626380"	626380	"5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCC1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	"362431"	NA
"626381"	626381	"5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC(C)CCC1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	"362432"	NA
"626382"	626382	"5-Isobutyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC(C)CC1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	2	2	"362433"	NA
"626387"	626387	""	"O=C1C2C3CCCCCCCCCC[C@H]3c4c([nH]c5ccccc45)C2C(=O)N1c6ccccc6"	0	NA	NA	1	1	"492888"	NA
"626388"	626388	"2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	"O=C1C2C3CCCCCC3c4c([nH]c5ccccc45)C2C(=O)N1c6ccccc6"	0	""	""	2	2	"362439"	NA
"626390"	626390	"5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccccc6c25"	0	""	""	2	2	"362441"	NA
"626391"	626391	"3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	"O=C1NC(=O)C2C1C3CCCC3c4c2[nH]c5ccccc45"	0	""	""	1	1	"362442"	NA
"626392"	626392	""	"CCCCN1C(=O)C2C3CCCC[C@H]3c4c([nH]c5ccccc45)C2C1=O.CCCCN6C(=O)C7C8CCCCC8c9c([nH]c%10ccccc9%10)C7C6=O"	0	NA	NA	1	1	"492893"	NA
"626396"	626396	"9-Tert-butyl-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	"362449"	NA
"626402"	626402	"5-[(Z)-1-chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one"	"[O-][N+](=O)c1cc2c(cc1\C(=C\c3ccccc3)\Cl)C(=O)C(=[N+]2[O-])c4ccccc4"	0	""	""	1	1	"5704789"	NA
"626405"	626405	"1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile"	"O=C1CC(C(=O)N1c2ccccc2)C3(CCCCC3=O)C#N"	0	""	""	1	1	"362458"	NA
"626410"	626410	"17.alpha.-methyl-4-androsteno[3,2-c]isoxaole-4,17-diol"	"C[C@]1(O)CCC2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"492909"	NA
"626411"	626411	"4-oxo-5.alpha.-androstano[2,3-d]isoxazol-17.beta.-ol ace..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4C(=O)c5oncc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"492910"	NA
"626412"	626412	"3-oxo-4-androstene-2-carbonitrile-4,17.beta.-diol"	"C[C@]12CCC3[C@@H](CCC4=C(O)C(=O)C(C[C@]34C)C#N)C1CC[C@@H]2O"	0	NA	NA	1	1	"492911"	NA
"626414"	626414	"4,17.beta.-dihydroxy-3-oxo-4-androstene -2-carbonitrile-..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(O)C(=O)C(C[C@]4(C)C3CC[C@]12C)C#N"	0	NA	NA	1	1	"492913"	NA
"626421"	626421	"11h-1,2,4-triazolo[4',3':2,3]pyridazino[4,5-b]indole, 8-..."	"COc1ccc2[nH]c3c(cnn4cnnc34)c2c1"	0	""	""	1	1	"135429957"	NA
"626424"	626424	""	"COC(=O)\C=C\1/C2CC3CC(C2)C(O)C1C3"	0	NA	NA	1	1	"492922"	NA
"626433"	626433	"3-Nitro-5-formylisoxazole"	"[O-][N+](=O)c1cc(on1)C=O"	0	""	""	1	1	"362479"	NA
"626482"	626482	"1,5,10-trihydroxy-7-methoxy-3-methyl-1h-naphtho[2,3-c]py..."	"COC1=CC(=O)c2c(O)c3C(O)OC(=Cc3c(O)c2C1=O)C"	0	""	""	3	2	"148043"	NA
"626516"	626516	"Cambridge id 7137130"	"OC(=O)c1ccccc1NC(=O)C2CCCCC2"	0	""	""	1	1	"362493"	NA
"626519"	626519	"OVIZECCRTFGJFQ-UHFFFAOYSA-N"	"COC(=O)c1ccc(Cl)cc1NC(=O)C2CCCCC2"	0	""	""	1	1	"362496"	NA
"626527"	626527	"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol"	"Oc1c(cnc2cc(c(cc12)\C(=C\c3ccccc3)\Cl)[N+](=O)[O-])c4ccccc4"	0	""	""	2	1	"5903258"	NA
"626539"	626539	"3,5-Bis(methylsulfanyl)dithiol-1-ium-4-olate"	"CSc1[s+]sc(SC)c1O"	0	""	""	1	1	"362515"	NA
"626540"	626540	"1,3-propanediamine, n-(2-chloroethyl)-n'-(2-methoxy-9- a..."	"COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1"	0	NA	NA	4	3	"492966"	NA
"626541"	626541	""	"CCN(CCCl)CCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	2	2	"492967"	NA
"626552"	626552	"N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine"	"CN(COC(=O)C(C)(C)C)c1nc(nc(n1)N(C)COC(=O)C(C)(C)C)N(C)COC(=O)C(C)(C)C"	0	""	""	1	1	"362525"	NA
"626554"	626554	"Diazaquinomycin A"	"CCCC1=C(C)C(=O)NC2=C1C(=O)C3=C(NC(=O)C(=C3CCC)C)C2=O"	0	""	""	1	1	"122105"	NA
"626577"	626577	"(-)-Roemeridine"	"CO[C@@H]1C[C@]2(CC[C@]13NCCc4c3[nH]c5cc(OC)c(OC)cc45)CC6N(C)CCc7cc(OC)c(O)c2c67"	0	""	""	1	1	"5459132"	NA
"626608"	626608	"santolina polyacetylene 18"	"CC#CC#C\C=C/1\OC2(OC=CC2OC(=O)C)C=C1"	0	NA	NA	2	1	"493033"	NA
"626621"	626621	"2-{(E)-[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid"	"CC1=NN(C(=O)c2ccc(C)cc2)C(=O)C1N=Nc3ccccc3C(=O)O"	0	""	""	2	1	"362547"	NA
"626622"	626622	"2-[(E)-(1-Benzoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid"	"CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc3ccccc3C(=O)O"	0	""	""	2	2	"362548"	NA
"626628"	626628	"1,3-bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea"	"Oc1ccc(Br)cc1\C=N\NC(=O)N\N=C\c2cc(Br)ccc2O"	0	""	""	1	1	"135429959"	NA
"626629"	626629	"butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-me..."	"CC(C(=O)O)\C(=C/c1ccc2OCOc2c1)\C(=O)O"	0	NA	NA	4	2	"493053"	NA
"626645"	626645	"erybraedin a"	"CC(=CCc1c(O)ccc2C3Oc4c(CC=C(C)C)c(O)ccc4C3COc12)C"	0	""	""	2	1	"362562"	NA
"626661"	626661	"3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone"	"CN(C1C(\C=C\c2ccccc2)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"5387746"	NA
"626669"	626669	"Dioxidanium;benzeneseleninate;platinum(2+)"	"[OH2+][Pt+2]([OH2+])([SeH](=O)([O-])c1ccccc1)[SeH](=O)([O-])c2ccccc2"	0	""	""	2	2	"24202093"	NA
"626670"	626670	"Copper;(dioxo-lambda5-selanyl)benzene"	"O[SeH](=O)([Cu+2][SeH](=O)(O)c1ccccc1)c2ccccc2"	0	""	""	2	1	"6381338"	NA
"626673"	626673	"4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one"	"OC1C2C(CCC2=C)C(=C)CC3OC(=O)C(=C)C13"	0	""	""	1	1	"362584"	NA
"626674"	626674	""	"CCCC(C)OC1[C@@H](O)[C@@H](C)C(O)C2O[C@]2(C)[C@@H](O)[C@@H]3OC(=O)C(=C)C13"	0	NA	NA	1	1	"493085"	NA
"626676"	626676	""	"C[C@H]1CCC2[C@@H](CN(C)C)C(=O)OC2[C@]3(C)C(=O)C=CC13O"	0	NA	NA	2	2	"493087"	NA
"626677"	626677	""	"C[C@H]1CCC2C(CN3CCCCC3)C(=O)OC2[C@]4(C)C(=O)CC(N5CCCCC5)C14O"	0	NA	NA	1	1	"493088"	NA
"626715"	626715	"10-edam"	"CCC(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	"54586"	"80576836"
"626734"	626734	"4-piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1..."	"COc1ccc(cc1)C2C(C)C(=O)C(C)C(N2N=O)c3ccc(OC)cc3"	0	""	""	7	5	"362604"	NA
"626735"	626735	"4-piperidinone, 3,5-dimethyl-1-nitroso-2,6-diphenyl-"	"CC1C(N(N=O)C(C(C)C1=O)c2ccccc2)c3ccccc3"	0	""	""	6	2	"362605"	NA
"626736"	626736	"1-Nitroso-2,6-diphenylpiperidine"	"O=NN1C(CCCC1c2ccccc2)c3ccccc3"	0	""	""	2	1	"362606"	NA
"626737"	626737	"2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one"	"COc1ccc(cc1)C2C3CCCC(C(N2N=O)c4ccc(OC)cc4)C3=O"	0	""	""	2	1	"362607"	NA
"626741"	626741	"3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one"	"O=NN1C(C2CCCC(C1c3ccccc3)C2=O)c4ccccc4"	0	""	""	2	1	"362611"	NA
"626742"	626742	"3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	"CC1NC(=O)C(C)C(N(N=O)C1c2ccccc2)c3ccccc3"	0	""	""	2	1	"362612"	NA
"626744"	626744	"3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	"CC1NC(=O)CC(N(N=O)C1c2ccccc2)c3ccccc3"	0	""	""	2	1	"362614"	NA
"626757"	626757	"1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1ccccc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362616"	NA
"626758"	626758	"1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1ccccc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362617"	NA
"626759"	626759	"1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362618"	NA
"626760"	626760	"1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362619"	NA
"626764"	626764	"3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol"	"Oc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362623"	NA
"626767"	626767	"1-(5-Chloro-2-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"[O-][N+](=O)c1ccc(Cl)cc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	"362626"	NA
"626773"	626773	"[(4S,5S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol"	"C[C@]12CCC3C4(C)CCC[C@](C)(CO)[C@H]4CCC3(C1)C=C2"	0	""	""	2	1	"5459140"	NA
"626775"	626775	""	"C[C@H]1CCC2[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)C3CC[C@@]2(C)C14Cc5c(OC(=O)C)c(OC(=O)C)cc(C)c5O4"	0	NA	NA	1	1	"493132"	NA
"626778"	626778	"7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene"	"CC(Cl)(\C=C\Cl)C(Cl)\C=C\C(Cl)(CCl)CBr"	0	""	""	2	1	"5387751"	NA
"626819"	626819	""	NA	0	NA	NA	1	1	"493150"	NA
"626826"	626826	"1,3,4-thiadiazole, 2,3-dihydro-3,5-diphenyl-2- (1,2,3,4-..."	"OCC(O)C(O)C(O)C1SC(=NN1c2ccccc2)c3ccccc3"	0	""	""	4	1	"362640"	NA
"626850"	626850	"Furan-2-glyoxal-2'-amino thiophenol"	"Sc1ccccc1\N=C\C(=O)c2occc2"	0	""	""	1	1	"362641"	NA
"626858"	626858	""	"O=C1[O-][Co+2]234(O=C(C=[N+]2c5ccccc5C(=O)[O-]3)c6cccs6)O=C(C=[N+]4c7ccccc17)c8cccs8"	0	NA	NA	1	1	"493165"	NA
"626867"	626867	"Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid"	"CCCSCC(P(=O)(O)O)P(=O)(O)O"	0	""	""	2	1	"362651"	NA
"626868"	626868	"naphtho[2,3-d]-1,3-dioxepin-6,11-dione, 4-methyl-"	"CC1=CC2=C(OCO1)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"362653"	NA
"626874"	626874	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(2-methoxy-..."	"COc1ccccc1\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	5	3	"5387758"	NA
"626875"	626875	"KACHONGZICJHPM-KRWCAOSLSA-N"	"CCOC(=O)COc1ccccc1\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	3	2	"5387760"	NA
"626876"	626876	"2-cyclopenten-1-one, 5-[(dimethylamino)methyl]-2-[2-[4- ..."	"CC(C)Cc1ccc(cc1)C(C)CC2=CCC(CN(C)C)C2=O"	0	""	""	4	3	"362663"	NA
"626877"	626877	"5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride"	"CCCCCCCCC1=CCC(CN(C)C)C1=O"	0	""	""	2	1	"362665"	NA
"626878"	626878	"cyclopentanone, 2-[(dimethylamino)methyl]-5-pentylidene-..."	"CCCC\C=C/1\CCC(CN(C)C)C1=O"	0	""	""	6	3	"5387762"	NA
"626879"	626879	"cyclopentanone, 2-[(dimethylamino)methyl]-5-heptylidene-..."	"CCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	6	6	"5387764"	NA
"626880"	626880	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-hydroxy-..."	"CN(C)CC1CC\C(=C/c2ccc(O)cc2)\C1=O"	0	""	""	5	4	"5387766"	NA
"626881"	626881	"(2E)-2-[(4-chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1CC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	""	""	3	3	"5387768"	NA
"626887"	626887	"2-[4-(2-methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride"	"CC(C)Cc1ccc(cc1)C(C)C(=O)N2CCN(CC2)\C=C\c3ccccc3"	0	""	""	2	1	"6516123"	NA
"626915"	626915	"7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-4-one"	"Cc1nn2C(=O)N(N=Nc2c1c3ccccc3)c4cccc(N5N=Nc6c(c(C)nn6C5=O)c7ccccc7)c4C"	0	""	""	1	1	"362684"	NA
"626923"	626923	"n1-(4-hydroxy-1,2-butadien-1-yl)-cytosine (cytallene)"	"NC1=NC(=O)N(C=C=CCO)C=C1"	0	""	""	4	3	"135436546"	NA
"626952"	626952	"N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine"	"COc1ccc(\C=C\CN(C)CCc2ccccc2)cc1OC"	0	""	""	1	1	"5387772"	NA
"627012"	627012	"LS-81895"	"Nc1ccc2CC3CC(=O)NN=C3c2c1"	0	""	""	2	1	"362753"	NA
"627013"	627013	"9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one"	"Nc1cccc2CC3CC(=O)NN=C3c12"	0	""	""	2	1	"362754"	NA
"627019"	627019	"N-[2-[bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide"	"CC1(CC2(C)CC(C)(C1)C(=O)NC2=O)C(=O)NCCN(CCNC(=O)C3(C)CC4(C)CC(C)(C3)C(=O)NC4=O)CCNC(=O)C5(C)CC6(C)CC(C)(C5)C(=O)NC6=O"	0	""	""	1	1	"362759"	NA
"627025"	627025	"(3aS,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one"	"Cc1cc(C)c(C2=NO[C@@H]3[C@H]2C(=O)C=C4N(Cc5ccccc5)CCO[C@]34O)c(C)c1"	0	""	""	2	1	"362763"	NA
"627050"	627050	"dispiro[cyclopropane-1,2'(3'h)-naphthalene- 3',2''-imida..."	"CN1CCN(C)C12C=C3C=CC=CC3=CC24CC4"	0	""	""	4	1	"362769"	NA
"627053"	627053	"2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole"	"FC(F)(F)c1nc(oc1Sc2nnc(Sc3oc(nc3C(F)(F)F)c4ccccc4)s2)c5ccccc5"	0	""	""	2	1	"362772"	NA
"627124"	627124	"(3E)-2,2-Diphenyl-3-(phenylimino)-2,3-dihydro-5H-indol-5-one 1-oxide"	"[O-][N+]1=C2C=CC(=O)C=C2\C(=N\c3ccccc3)\C1(c4ccccc4)c5ccccc5"	0	""	""	1	1	"362810"	NA
"627151"	627151	"1(6),3-cyclohexadiene-1,3-dicarboxyaldehyde, 4,6-dichlor..."	"CN(C)C=C1C(=C(CC(=C1Cl)C=O)C=O)Cl"	0	""	""	1	1	"362814"	NA
"627168"	627168	"Pyrazoloacridine"	"COc1ccc2Nc3c(ccc4c3c(nn4CCCN(C)C)c2c1)[N+](=O)[O-]"	0	"Db"	"Clinical trial"	3	2	"339455"	NA
"627172"	627172	""	"CN[C@@H](C)[C@@H](NC)c1ccccc1"	0	NA	NA	1	1	"493332"	NA
"627198"	627198	"6-[N-(2-hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione"	"Cc1[nH]nc2C(=O)C(=CC(=O)c12)N(CCO)c3ccccc3"	0	""	""	1	1	"362828"	NA
"627206"	627206	"(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid"	"OC(=O)CNS(=O)(=O)c1ccc(NC(=O)CI)cc1"	0	""	""	1	1	"362835"	NA
"627221"	627221	""	"O=C(O\N=C\1/C(/CCCC1)=C/c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"493365"	NA
"627257"	627257	""	"[O-][N+](=O)c1ccc(cc1)n2nnc(C[C@@]3([C@H](C(=C(C3=O)c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7)c2N8CCOCC8"	0	NA	NA	1	1	"493372"	NA
"627268"	627268	"ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate"	"CCOC(=O)c1ccc(cc1)N2C(=O)\C(=C/OC)\c3ccccc3C2=O"	0	""	""	1	1	"3004090"	NA
"627321"	627321	"(4-Methylphenyl)ethynyl trifluoromethyl sulfone"	"Cc1ccc(cc1)C#CS(=O)(=O)C(F)(F)F"	0	""	""	2	1	"362876"	NA
"627322"	627322	""	NA	0	NA	NA	1	1	"493397"	NA
"627349"	627349	"n-(2-bromotetradecanoyl)glycinamide"	"CCCCCCCCCCCCC(Br)C(=O)NCC(=O)N"	0	""	""	1	1	"362877"	NA
"627359"	627359	"O-methyl (decylamino)methanethioate"	"CCCCCCCCCCNC(=S)OC"	0	""	""	1	1	"3004095"	NA
"627371"	627371	"2,1,3-benzoselanadiazole, nitro-6-(trifluoromethyl)-"	"[O-][N+](=O)c1cc(cc2n[se]nc12)C(F)(F)F"	0	""	""	5	4	"362897"	NA
"627375"	627375	""	"CC(C)(C)c1cc(Cc2ccc(cc2)[N+](C)(C)C)c(O)c(c1)C(C)(C)C"	0	NA	NA	1	1	"581064"	NA
"627387"	627387	"2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol"	"CC1(C)CC(=CC2=Nc3ccccc3C12O)c4c[nH]c5ccccc45"	0	""	""	1	1	"362912"	NA
"627392"	627392	"5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC(C)C1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	"362917"	NA
"627393"	627393	"5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCCCCCCCCC1C(C)c2c([nH]c3ccccc23)C4C1C(=O)N(C4=O)c5ccccc5"	0	""	""	1	1	"362918"	NA
"627410"	627410	"DWPHGNLALUNFLR-UHFFFAOYSA-N"	"COC(=O)c1cc(Cl)ccc1NC(=O)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"362934"	NA
"627450"	627450	"Maybridge4_003412"	"CSC1=C(SC)SC(=S)S1"	0	""	""	2	1	"362959"	NA
"627452"	627452	"6-Phenyl-2-thioxo[1,3]dithiolo[4,5-b][1,4]dithiin-5(6H)-one"	"O=C1SC2=C(SC1c3ccccc3)SC(=S)S2"	0	""	""	2	1	"362961"	NA
"627454"	627454	"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid"	"OC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)O"	0	""	""	2	1	"362963"	NA
"627455"	627455	"2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid"	"OC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1)C(=O)O"	0	""	""	2	1	"362964"	NA
"627459"	627459	"[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate"	"COc1ccc2c(CCc3c(CO)c(COC(=O)NC(C)C)n(C)c23)c1"	0	""	""	3	2	"362968"	NA
"627474"	627474	""	"C[N+]1(C)CC23=C4C5=C6[C-2]2([Sn+4]17([ClH-])([ClH-])[C-2]89C%10=C%11C%12=C8(C[N+]7(C)C)[Fe+2]9%10%11%12%13%14%15%16C%17=C%13[CH-]%14C%15=C%16%17)[Fe+2]3456%18%19%20%21C%22=C%18[CH-]%19C%20=C%21%22"	0	NA	NA	2	2	"581065"	NA
"627480"	627480	"tgf .beta.1"	NA	0	NA	NA	2	1	"493496"	NA
"627505"	627505	"ellipticine"	"COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	"TOP2"	""	19	18	"-1"	NA
"627506"	627506	""	"CC1=C[C@@H]2[C@H](CC1)C(c3c[nH]c4ccccc34)c5[nH]c6ccccc6c25"	0	NA	NA	1	1	"493504"	NA
"627508"	627508	"4-hydroxymethyl-2-phenyl-tellurophene"	"OCc1c[te]c(c1)c2ccccc2"	0	""	""	1	1	"362976"	NA
"627511"	627511	"2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one"	"CC(=O)c1cc2CCN3C(=O)c4cc5OCOc5cc4c(c1)c23"	0	""	""	1	1	"362980"	NA
"627512"	627512	"2,4-di(benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid"	"OC(=O)C(CC(=O)c1ccc2OCOc2c1)c3ccc4OCOc4c3"	0	""	""	3	2	"362981"	NA
"627515"	627515	""	"COc1ccc(Br)c(CN2CCc3ccccc23)c1OS(=O)(=O)c4ccc(C)cc4"	0	NA	NA	1	1	"493513"	NA
"627546"	627546	"8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one"	"COc1cc2ccnc3C(=C(SC)SC)C(=O)c(c1OC)c23"	0	""	""	1	1	"363007"	NA
"627547"	627547	""	"OC[C@@H]1CCCN1C(=O)c2ccc(cc2)C(C#N)C#N"	0	NA	NA	1	1	"493534"	NA
"627549"	627549	""	"COc1cc2COC(=O)\C(=C\c3ccccc3N)\c2cc1OC"	0	NA	NA	1	1	"493536"	NA
"627550"	627550	"1,4-epoxyanthracene, 1,4-diphenyl-2,2,3,3-tetracyano- 1,..."	"N#CC1(C#N)C2(OC(c3ccccc3)(c4cc5ccccc5cc24)C1(C#N)C#N)c6ccccc6"	0	""	""	2	2	"363011"	NA
"627552"	627552	"triphenyl[?]dione"	"O=C1C2C(C(=O)N1c3ccccc3)C4(OC2(c5ccccc5)c6ccccc46)c7ccccc7"	0	""	""	1	1	"363013"	NA
"627553"	627553	""	"O=S1(=O)[C@H](c2ccccc2)c3c(sc(c4ccccc4)c3[C@@H]1c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"493540"	NA
"627554"	627554	""	"O=S1[C@H](c2ccccc2)c3c([C@@H]1c4ccccc4)c(sc3c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"493541"	NA
"627555"	627555	"1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester"	"COC(=O)C1=C(C(=O)OC)C2(OC1(c3ccccc3)c4cc5ccccc5cc24)c6ccccc6"	0	""	""	1	1	"363016"	NA
"627563"	627563	"(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)"	"OC(c1ccccc1)c2c(oc(c3ccccc3)c2C(O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"363019"	NA
"627564"	627564	"[4-[Hydroxy(phenyl)methyl]-2,5-diphenyl-1H-pyrrol-3-yl]-phenyl-methanol"	"OC(c1ccccc1)c2c(C(O)c3ccccc3)c([nH]c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"363020"	NA
"627569"	627569	"Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate"	"COC(=O)c1ss2sc3CCCCc3c2c1C(=O)OC"	0	""	""	1	1	"363025"	NA
"627581"	627581	"5H-Naphtho[1,8-cd]isoxazol-5-one"	"O=C1C=Cc2noc3cccc1c23"	0	""	""	1	1	"363037"	NA
"627583"	627583	"6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene"	"Clc1cc(Cl)c2c(Cl)cc(Cl)c3N=S=Nc1c23"	0	""	""	1	1	"363039"	NA
"627591"	627591	"trans, trans-.alpha.,.alpha.'-dipiperonylidene succinic ..."	"O=C1OC(=O)\C(=C/c2ccc3OCOc3c2)\C\1=C\c4ccc5OCOc5c4"	0	""	""	2	1	"5387806"	NA
"627593"	627593	"3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccccc2)\Cl"	0	""	""	1	1	"3004103"	NA
"627605"	627605	"2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate"	"O=C1C([Se]C(=[N+]1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"363056"	NA
"627618"	627618	"1-(11,12,13,14-Tetrachloro-17,17-dimethoxy-4-pentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1(16),2,4,6,8,12-hexaenyl)ethanone"	"COC1(OC)C2(Cl)C3C(c4ccc(C(=O)C)c5cccc3c45)C1(Cl)C(=C2Cl)Cl"	0	""	""	2	2	"363066"	NA
"627624"	627624	"2-Benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	"[O-][N+](=O)c1ccccc1CC2(C#N)N(C3C(c4ccccc24)C3(Cl)Cl)C(=O)c5ccccc5"	0	""	""	1	1	"363072"	NA
"627638"	627638	"Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate"	"CCOC(=O)C1=CC=CC(=O)C(=C1)C(=O)OCC"	0	""	""	1	1	"363077"	NA
"627650"	627650	"(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate"	"COc1cc2CCN(C)C3C(C(OC(=O)C)c4ccccc4)c5ccccc5c(c1OC)c23"	0	""	""	1	1	"363085"	NA
"627651"	627651	"benzene, 5,5'-[(1,4-phenylene)bis (2,1-ethenediyl)]bis[1..."	"COc1cc(\C=C\c2ccc(\C=C\c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC"	0	""	""	3	3	"5387813"	NA
"627652"	627652	"11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone"	"O=C1C2C(C3C4C(C2c5ccccc35)C(=O)N(C4=O)c6ccccc6)C(=O)N1c7ccccc7"	0	""	""	1	1	"363087"	NA
"627654"	627654	"dibromo(diphenyl)[?]tetrone"	"BrC12C3C(C(=O)N(C3=O)c4ccccc4)C(Br)(C5C1C(=O)N(C5=O)c6ccccc6)c7ccccc27"	0	""	""	2	1	"363088"	NA
"627664"	627664	"2-Benzoyl-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dichloro-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	"COc1cc(Br)c(CC2(C#N)N(C3C(c4ccccc24)C3(Cl)Cl)C(=O)c5ccccc5)cc1OC"	0	""	""	1	1	"363094"	NA
"627666"	627666	"1h-benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a- carbonit..."	"COc1cc2CCN(C(=O)c3ccccc3)C4(Cc5cc6OCOc6cc5c(c1OC)c24)C#N"	0	""	""	4	3	"363096"	NA
"627669"	627669	"1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate"	"COc1cc2c(nccc2c(OC)c1OC)[C@@H](OC(=O)c3ccccc3)c4ccc5OCOc5c4"	0	""	""	1	1	"6711456"	NA
"627677"	627677	"4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	"Oc1c2c(nn1c3ccccc3)c4ccccc4c[n+]2Cc5ccccc5"	0	""	""	1	1	"363107"	NA
"627683"	627683	""	"COc1ccc(Br)c(N\N=C\2/CCCNC2=O)c1"	0	NA	NA	1	1	"493650"	NA
"627684"	627684	"diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate"	"CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c3ccccc3)C(=O)OCC"	0	""	""	1	1	"363116"	NA
"627687"	627687	"7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine"	"BrC1=CC=C2NC=CC3=CC=NC1C23"	0	""	""	2	2	"363119"	NA
"627695"	627695	"3-hydroxymethyl-6,7-(methylenedioxy)-1-[3,4-(methylenedi..."	"O=C1OCc2c1cc3cc4OCOc4cc3c2c5ccc6OCOc6c5.O=C7OCc8cc9cc%10OCOc%10cc9c(c%11ccc%12OCOc%12c%11)c78"	0	""	""	1	1	"363126"	NA
"627697"	627697	""	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN"	0	NA	NA	1	1	"493664"	NA
"627727"	627727	".beta.-amanitin"	"CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N5CC(O)CC5C(=O)NC(C(C)C(O)CO)C(=O)N2"	0	""	""	2	2	"2276"	NA
"627728"	627728	"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine"	"NC(=N)NS(=O)(=O)c1ccc(NCCc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"363144"	NA
"627730"	627730	"N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c3ccccc3nc4ccccc24"	0	""	""	1	1	"363146"	NA
"627731"	627731	"2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid"	"NC(=N)NCCCC(Nc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	1	1	"363147"	NA
"627732"	627732	"STL050306"	"NC(=O)CCC(Nc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	1	1	"363148"	NA
"627736"	627736	"2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid"	"NC(=N)NCCCC(NCc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	2	2	"363151"	NA
"627740"	627740	"((9-Acridinylmethyl)amino)acetic acid"	"OC(=O)CNCc1c2ccccc2nc3ccccc13"	0	""	""	3	2	"363154"	NA
"627744"	627744	""	"C[n+]1c2ccccc2cc3c(CNC(CCCNC(=N)N)C(=O)O)cccc13"	0	NA	NA	2	2	"581072"	NA
"627745"	627745	""	"C[n+]1c2ccccc2c(CNC(CCC(=O)N)C(=O)O)c3ccccc13"	0	NA	NA	5	4	"581073"	NA
"627747"	627747	""	"CC(C)C(NCc1c2ccccc2[n+](C)c3ccccc13)C(=O)O"	0	NA	NA	2	2	"581075"	NA
"627748"	627748	""	"C[n+]1c2ccccc2c(CNCC(=O)O)c3ccccc13"	0	NA	NA	1	1	"581076"	NA
"627749"	627749	""	"C[n+]1c2ccccc2c(CNc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc14"	0	NA	NA	1	1	"581077"	NA
"627757"	627757	"17.alpha.-aza-d-homo-5-androseno[16,17-d]isoxazol-3.beta..."	"CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)Nc5oncc5CC4[C@@H]3CC=C2C1"	0	NA	NA	1	1	"493694"	NA
"627759"	627759	"2'-phenyl-17a-aza-d-homo-5-androsteno[17,16-c]pyrazol-3...."	"CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)Nc5c(CC4[C@@H]3CC=C2C1)cnn5c6ccccc6"	0	NA	NA	1	1	"493696"	NA
"627760"	627760	"2'phenyl-17a-aza-d-homo-5-androsteno[17,16-c]pyrazol-3.b..."	"C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1Cc5cnn(c5N2)c6ccccc6"	0	NA	NA	1	1	"493697"	NA
"627767"	627767	"4-aza-5.alpha.-androstano[3,2-c]pyrazol-17. beta.-yl ace..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4Nc5[nH]ncc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"493704"	NA
"627769"	627769	"4-aza-5.alpha.-cholestano[3,2-c]isoxazole"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Nc5nocc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"493706"	NA
"627771"	627771	"4-aza-2'-phenyl-5.alpha.-cholestano[3,2-c]pyrazole"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Nc5c(C[C@]4(C)C3CC[C@]12C)cnn5c6ccccc6"	0	NA	NA	1	1	"493708"	NA
"627774"	627774	"3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one"	"CC1=C2C(=[O][B+3]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]2)C=CN1"	0	""	""	1	1	"494604"	NA
"627777"	627777	"1,3-propanedinitrile, 2-[[4-[4-(dimethylamino)phenyl]imi..."	"CN(C)c1ccc(cc1)\N=C/2\C=CC(=C(C#N)C#N)c3ccccc23"	0	""	""	4	3	"363173"	NA
"627778"	627778	"8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-"	"CCN(CC)c1ccc(\N=C\2/C=C(Cl)C(=O)c3ncccc23)c(C)c1"	0	""	""	1	1	"363174"	NA
"627781"	627781	"UVFDAEOUCRNSKO-UHFFFAOYSA-N"	"COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1"	0	""	""	1	1	"363177"	NA
"627787"	627787	"2,3-dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g] indolois..."	"COc1cc2cc[n+]3c(C(=O)c4ccccc34)c2cc1OC"	0	NA	NA	4	4	"581078"	NA
"627858"	627858	"Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate"	"COC(=O)c1ccc(cc1)N=NN(C)COc2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	1	"363185"	NA
"627868"	627868	"3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide"	"O=C(Cc1c(CC(=O)Nc2ccccc2)c(sc1C(=O)Nc3ccccc3)C(=O)Nc4ccccc4)Nc5ccccc5"	0	""	""	1	1	"363194"	NA
"627872"	627872	"1'-(4-methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]"	"Cc1ccc(cc1)S(=O)(=O)N2CCC3(C2c4ccccc4)C(=Nc5ccccc35)\C=C\c6ccccc6"	0	""	""	1	1	"5387833"	NA
"627887"	627887	""	"CC(C)C(Nc1c2ccccc2[n+](C)c3ccccc13)C(=O)O"	0	NA	NA	1	1	"581085"	NA
"627890"	627890	"2-Hydroxy-5-({(E)-[(10-hydroxyacridin-9(10H)-ylidene)methyl]diazenyl}sulfonyl)benzoic acid"	"OC(=O)c1cc(ccc1O)S(=O)(=O)N\N=C/c2c3ccccc3[n+]([O-])c4ccccc24"	0	""	""	1	1	"363212"	NA
"627891"	627891	"9-({(E)-[(4-Methylphenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol"	"Cc1ccc(cc1)S(=O)(=O)N\N=C/c2c3ccccc3[n+]([O-])c4ccccc24"	0	""	""	1	1	"363213"	NA
"627894"	627894	"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid"	"OC(=O)C(CS)NCc1c2ccccc2[n+]([O-])c3ccccc13"	0	""	""	1	1	"494613"	NA
"627895"	627895	"3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid"	"CC(C)C(NCc1c2ccccc2[n+]([O-])c3ccccc13)C(=O)O"	0	""	""	1	1	"494614"	NA
"627897"	627897	"1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(NCc2c3ccccc3[n+]([O-])c4ccccc24)cc1"	0	""	""	1	1	"494616"	NA
"627972"	627972	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-"	"CN1C(=O)N=C2N(c3ccccc3C)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363226"	NA
"627973"	627973	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-"	"CN1C(=O)N=C2N(c3ccc(C)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363227"	NA
"627974"	627974	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(C)cc3C)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363228"	NA
"627975"	627975	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cc(C)cc(C)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363229"	NA
"627976"	627976	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cccc(Cl)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363230"	NA
"627977"	627977	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccccc3N=C2C1=O)c4cc(Cl)ccc4Cl"	0	""	""	1	1	"363231"	NA
"627979"	627979	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cccc(F)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363233"	NA
"627980"	627980	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(F)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363234"	NA
"627981"	627981	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(F)c(F)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363235"	NA
"627983"	627983	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(Br)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363237"	NA
"627984"	627984	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-"	"CCc1ccccc1N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	"363238"	NA
"627985"	627985	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-"	"CCCCc1ccc(cc1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	"363239"	NA
"627986"	627986	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(O)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363240"	NA
"627987"	627987	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-"	"COc1cccc(c1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	"363241"	NA
"627988"	627988	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-"	"CSc1cccc(c1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	"363242"	NA
"627990"	627990	"Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4ccc(Cl)cc4N=C2C1=O"	0	""	""	1	1	"363244"	NA
"627991"	627991	"benzo[g]pteridine-2,4-dione, 8-chloro-10-(4-chlorophenyl..."	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4cc(Cl)ccc4N=C2C1=O"	0	""	""	6	4	"363245"	NA
"627992"	627992	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4cc(C)c(C)cc4N=C2C1=O"	0	""	""	1	1	"363246"	NA
"627993"	627993	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-"	"CCN1C(=O)N=C2N(c3ccc(SC)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363247"	NA
"627994"	627994	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-"	"CCN1C(=O)N=C2N(c3ccccc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	"363248"	NA
"628000"	628000	"4b-hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one"	"COC1(OC)C2C(=O)c3ccccc3C2(O)c4ccccc14"	0	""	""	1	1	"363252"	NA
"628009"	628009	"(3E)-3-[(5-methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one"	"COc1ccc(c(N\N=C\2/CCCNC2=O)c1)c3ccccc3"	0	""	""	1	1	"5930141"	NA
"628013"	628013	"C18H19ClN2O"	"COc1ccc(cc1)C2NCCc3c2[nH]c4ccccc34"	0	""	""	1	1	"198915"	NA
"628018"	628018	"1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione"	"Clc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)OC(=O)c24"	0	""	""	1	1	"363267"	NA
"628081"	628081	"glucose/amide/peg amine/carbonyl/hexamethylene/ carbamoy..."	"OCC(O)C(O)C(O)C(O)C(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	4	3	"363286"	NA
"628082"	628082	"glucose/amide/peg amine/carbonyl/hexamethylene/ carbamoy..."	"OCC(O)C(O)C(O)C(O)C(=O)NCCCOCCOCCCNC(=O)NCCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	2	1	"438243"	NA
"628083"	628083	"lactose/amide/peg amine/carbamoyl/hexamethylene/ carbamo..."	"OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	4	"363287"	NA
"628114"	628114	"9-n(n'-chloroethyl-n'-ethyl-1,2-diaminoethyl) 2-methoxya..."	"CCN(CCCl)CCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	4	4	"493842"	NA
"628115"	628115	"9-n(n'-chloroethyl-n'-methyl-1,2-diaminoethyl) 2 methoxy..."	"COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1"	0	NA	NA	5	3	"493843"	NA
"628121"	628121	"[acetyl(diphenyl)[?]yl] acetate"	"CC(=O)OC1(CC2(OC1(c3ccccc3)c4ccccc24)c5ccccc5)C(=O)C"	0	""	""	1	1	"363302"	NA
"628122"	628122	"20-Benzoyl-19-methoxy-4,6-dioxa-20-azapentacyclo[10.6.2.02,10.03,7.013,18]icosa-2(10),3(7),8,13,15,17-hexaene-12-carbonitrile"	"COC1C2c3ccccc3C(Cc4ccc5OCOc5c24)(C#N)N1C(=O)c6ccccc6"	0	""	""	1	1	"363303"	NA
"628123"	628123	"20-Benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile"	"COC1C2c3cc4OCOc4cc3CC(C#N)(N1C(=O)c5ccccc5)c6ccccc26"	0	""	""	1	1	"363304"	NA
"628129"	628129	"3-Oxaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene-14,17-dione"	"O=C1c2cccc3cccc(c4oc5c6cccc7cccc(C(=O)c5c14)c67)c23"	0	""	""	2	1	"363310"	NA
"628133"	628133	"Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate"	"S1C(Sc2ccccc12)[P+](c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"498418"	NA
"628139"	628139	"5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline"	"COc1cccc(c1)c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23"	0	""	""	1	1	"363319"	NA
"628141"	628141	"2-Phenylquinolin-4-yl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2cc(nc3ccccc23)c4ccccc4"	0	""	""	2	2	"363320"	NA
"628185"	628185	"triphenyl[?]tetrone"	"O=C1C2C3C=C4c5ccccc5N(c6ccccc6)C4(C7C3C(=O)N(C7=O)c8ccccc8)C2C(=O)N1c9ccccc9"	0	""	""	1	1	"363328"	NA
"628199"	628199	"EN300-79332"	"O=C1Nc2ccccc2C13CCCC3"	0	""	""	1	1	"363343"	NA
"628235"	628235	""	"Nc1ccc(CCN2CCN(CC2)c3cccc(c3)C(F)(F)F)cc1"	0	NA	NA	1	1	"493899"	NA
"628241"	628241	"N-(2-dimethylaminoethyloxy)adamantane-1-carboxamide"	"CN(C)CCONC(=O)C12CC3CC(CC(C3)C1)C2"	0	""	""	2	1	"363358"	NA
"628279"	628279	"dl-2-amino-7-[bis(2-chloroethyl) amino]-1,2,3,4-tetrahyd..."	"NC1(CCc2ccc(cc2C1)N(CCCl)CCCl)C(=O)O"	0	""	""	1	1	"363388"	NA
"628297"	628297	"AQ-358/41842922"	"COc1cc(O)c(C(=O)\C=C\c2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1"	0	""	""	1	1	"5935211"	NA
"628298"	628298	"2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione"	"OC1(C(C(=O)c2ccccc2)C(=O)c3ccccc3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	"363395"	NA
"628301"	628301	"3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione"	"O=C1C(=O)C(=C1c2cccc3ccccc23)c4cccc5ccccc45"	0	""	""	2	2	"363398"	NA
"628312"	628312	"(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate"	"COc1cc2CCN(C3CC4(C=CC(=O)C=C4)c(c1OC)c23)C(=O)OC(C)(C)C(Cl)(Cl)Cl"	0	""	""	1	1	"363408"	NA
"628336"	628336	"acetic acid,[2-formyl-9,10-dihydro-5-methoxy-9,10- dioxo..."	"COc1c(CC(=O)C)ccc2C(=O)c3c(OC(=O)C)c(C=O)ccc3C(=O)c12"	0	""	""	1	1	"363425"	NA
"628343"	628343	"1,2,4-triazine-3,5(2h,4h) dithione, 6-benzyl-"	"S=C1NN=C(Cc2ccccc2)C(=S)N1"	0	""	""	2	1	"3004106"	NA
"628417"	628417	""	"OC1COC(O)(CNN2C(=O)c3cc(Br)ccc3N=C2c4ccccc4Cl)C(O)C1O"	0	NA	NA	1	1	"494043"	NA
"628441"	628441	""	"CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c4cnccc4n3C"	0	NA	NA	1	1	"494052"	NA
"628442"	628442	"2-Hydroxy-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one"	"OC1CN2N(C1)c3ccccc3C2=O"	0	""	""	2	1	"363510"	NA
"628445"	628445	"6-chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole"	"Clc1ccc2[nH]c(CCSCCc3nc4ccc(Cl)cc4[nH]3)nc2c1"	0	""	""	1	1	"363513"	NA
"628497"	628497	"9-n(n'-bis-chloroethyl-n'-1,2-diamino ethyl) 2-methoxy a..."	"COc1ccc2nc3ccccc3c(NCCN(CCCl)CCCl)c2c1"	0	""	""	1	1	"363534"	NA
"628498"	628498	"9-n(n'-chloroethyl-n'-methyl-1,4-diaminobutyl) 2-methoxy..."	"COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1"	0	NA	NA	4	3	"494078"	NA
"628503"	628503	"Docetaxel"	"CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	8	3	"148124"	"114977285"
"628507"	628507	"1h-benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,1..."	"O=C1C2=C(C(=O)c3ccccc13)C(C#N)(C4CCCN24)C5SCCS5=O"	0	""	""	6	2	"363542"	NA
"628516"	628516	"1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"ON1CCc2c([nH]c3ccccc23)C1c4ccc(Cl)cc4"	0	""	""	1	1	"363552"	NA
"628525"	628525	"5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-"	"BrC1=CC(=O)c2cccc3oc(c4ccccc4)c1c23"	0	""	""	3	2	"363561"	NA
"628527"	628527	"2-Phenyl-5H-naphtho[1,8-bc]furan-5-one"	"O=C1C=Cc2c(oc3cccc1c23)c4ccccc4"	0	""	""	2	2	"363563"	NA
"628529"	628529	"Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate"	"COC(=O)Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	3	1	"438245"	NA
"628540"	628540	"1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate"	"CC(=O)OC12OC(=O)c3ccccc3N1C(=O)C=C2"	0	""	""	2	1	"363568"	NA
"628559"	628559	"2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(C)c2O1"	0	""	""	1	1	"16683124"	NA
"628560"	628560	"2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2ccc(C)cc2O1"	0	""	""	1	1	"16683125"	NA
"628561"	628561	"4h-1,3,2-benzodioxastannin-4-one, 7-amino-2,2-dibutyl-"	"CCCC[Sn]1(CCCC)OC(=O)c2ccc(N)cc2O1"	0	""	""	3	3	"16683126"	NA
"628562"	628562	"4h-1,3,2-benzodioxastannin-4-one, 7-amino-2,2-diphenyl-"	"Nc1ccc2C(=O)O[Sn](Oc2c1)(c3ccccc3)c4ccccc4"	0	""	""	4	2	"16683127"	NA
"628563"	628563	"2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cc(I)cc(I)c2O1"	0	""	""	1	1	"16683128"	NA
"628564"	628564	"2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(OC)c2O1"	0	""	""	2	2	"16683129"	NA
"628565"	628565	"2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	"C[C-](C)(C)[Sn+4]123(N(CCN1c4ccccc4[O-]2)c5ccccc5[O-]3)[C-](C)(C)C"	0	""	""	1	1	"16683130"	NA
"628566"	628566	"Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-"	"CCC[CH2-][Sn+4]12([CH2-]CCC)[O-]C(=O)C[N+]1(CCO)CC(=O)[O-]2"	0	""	""	2	2	"16683131"	NA
"628568"	628568	"2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide"	"CCC[CH2-][Sn+4]12([CH2-]CCC)[O-]C(=O)C[N+]1(CC(=O)N)CC(=O)[O-]2"	0	""	""	1	1	"16683133"	NA
"628570"	628570	"2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid"	"O=C1CN2CC(=O)[O-][Sn+4]2([CH2-]c3ccccc3)([CH2-]c4ccccc4)[O-]1"	0	""	""	1	1	"16683135"	NA
"628571"	628571	"2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione"	"C[N+]12CC(=O)[O-][Sn+4]1([CH2-]c3ccccc3)([CH2-]c4ccccc4)[O-]C(=O)C2"	0	""	""	1	1	"16683136"	NA
"628572"	628572	"2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid"	"CCC[CH2-][Sn+4]12(Nc3ccccc3C(=O)[O-]1)(Nc4ccccc4C(=O)[O-]2)[CH2-]CCC"	0	""	""	1	1	"16684416"	NA
"628573"	628573	"[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate"	"CCC[CH2-][Sn+4]1([O-2][Sn+4]2(Nc3ccccc3C(=O)[O-]2)([CH2-]CCC)[CH2-]CCC)(Nc4ccccc4C(=O)[O-]1)[CH2-]CCC"	0	""	""	1	1	"16683137"	NA
"628574"	628574	"2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"CCC[CH2-][Sn+4]123(N(CCN1CC(=O)[O-]2)CC(=O)[O-]3)[CH2-]CCC"	0	""	""	1	1	"16683138"	NA
"628575"	628575	"2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"CCCCCCC[CH2-][Sn+4]123(N(CCN1CC(=O)[O-]2)CC(=O)[O-]3)[CH2-]CCCCCCC"	0	""	""	1	1	"16683139"	NA
"628576"	628576	"2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid"	"O=C1CN2CCN3CC(=O)[O-][Sn+4]23([CH3-])([CH3-])[O-]1"	0	""	""	1	1	"16683140"	NA
"628577"	628577	"2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	"CCC[CH2-][Sn+4]123(N(CCN1c4ccccc4[O-]2)c5ccccc5[O-]3)[CH2-]CCC"	0	""	""	1	1	"16683141"	NA
"628580"	628580	"4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione"	"CCC[CH2-][Sn+4]12(N3C(=CC(=O)C=C3C(=O)[O-]1)C(=O)[O-]2)[CH2-]CCC"	0	""	""	1	1	"16683144"	NA
"628586"	628586	"antineoplastic-628586"	"S(c1cccc2cccnc12)[Sn](c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"363590"	NA
"628587"	628587	"GNF-Pf-448"	"CCCC[Sn](CCCC)(Oc1cccc2cccnc12)Oc3cccc4cccnc34"	0	""	""	1	1	"16683146"	NA
"628590"	628590	"Dibenzyl-bis(8-quinolylsulfanyl)stannane"	"C(c1ccccc1)[Sn](Cc2ccccc2)(Sc3cccc4cccnc34)Sc5cccc6cccnc56"	0	""	""	1	1	"9569947"	NA
"628591"	628591	"Diphenyl-bis(8-quinolyloxy)stannane"	"O(c1cccc2cccnc12)[Sn](Oc3cccc4cccnc34)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"16683148"	NA
"628592"	628592	"Diphenyl-bis(8-quinolylsulfanyl)stannane"	"S(c1cccc2cccnc12)[Sn](Sc3cccc4cccnc34)(c5ccccc5)c6ccccc6"	0	""	""	2	2	"9569948"	NA
"628593"	628593	"Bis(8-quinolyloxy)-divinyl-stannane"	"C=C[Sn](Oc1cccc2cccnc12)(Oc3cccc4cccnc34)C=C"	0	""	""	3	2	"16683149"	NA
"628594"	628594	"Bis(8-quinolylsulfanyl)-divinyl-stannane"	"C=C[Sn](Sc1cccc2cccnc12)(Sc3cccc4cccnc34)C=C"	0	""	""	1	1	"9569949"	NA
"628628"	628628	"5-fluoro-1-(3-o-benzoyl-4,6-didexy-.beta.-l-glycero-hex-..."	"CC1OC(N2C=C(F)C(=O)NC2=O)C(=O)C(=C1)OC(=O)c3ccccc3"	0	""	""	1	1	"363615"	NA
"628648"	628648	"2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"COc1ccc2c3CCN(Cc4ccccc4)C(C)c3[nH]c2c1[N+](=O)[O-]"	0	""	""	1	1	"363619"	NA
"628649"	628649	"7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"COc1ccc2c3CCN(Cc4ccc(cc4)[N+](=O)[O-])C(C)c3[nH]c2c1[N+](=O)[O-]"	0	""	""	1	1	"363620"	NA
"628650"	628650	"2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline"	"COc1ccc2c3CCN(C(C)c3[nH]c2c1[N+](=O)[O-])C(=O)\C=C\c4ccccc4"	0	""	""	1	1	"5914033"	NA
"628659"	628659	""	"CC1CC[C@@]23CCC4(C)[C@]5(C)CCC6C(C)(C)C(=O)CC[C@]6(C)C5C=C[C@]4(OC2=O)[C@@H]3[C@H]1C"	0	NA	NA	1	1	"494169"	NA
"628662"	628662	"(5S,8aR)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc5OCOc5c4)c6cc7OCOc7cc26"	0	""	""	2	2	"363633"	NA
"628663"	628663	"benzoic acid, 4-[[5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3..."	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1"	0	""	""	11	11	"363634"	NA
"628664"	628664	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)N5CCOCC5)c6cc7OCOc7cc26"	0	""	""	1	1	"363635"	NA
"628665"	628665	"4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	3	3	"363636"	NA
"628666"	628666	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cnc5ccccc5c4)c6cc7OCOc7cc26"	0	""	""	2	2	"363637"	NA
"628667"	628667	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)c1"	0	""	""	2	2	"363638"	NA
"628668"	628668	"ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate"	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1O"	0	""	""	2	2	"363639"	NA
"628669"	628669	"(5S,8aR)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(c4)C(=O)C)c5cc6OCOc6cc25"	0	""	""	2	2	"363640"	NA
"628670"	628670	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(c4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	"363641"	NA
"628671"	628671	"methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate"	"COC(=O)c1cccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)c1"	0	""	""	2	2	"363642"	NA
"628672"	628672	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	NA	NA	11	11	"494182"	NA
"628673"	628673	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(Oc5ccccc5)cc4)c6cc7OCOc7cc26"	0	""	""	2	2	"363644"	NA
"628674"	628674	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc5OCCOc5c4)c6cc7OCOc7cc26"	0	""	""	5	4	"363645"	NA
"628675"	628675	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(CO)c4)c5cc6OCOc6cc25"	0	""	""	2	2	"363646"	NA
"628676"	628676	"furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-[..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	10	6	"363647"	NA
"628677"	628677	"(5S,8aR)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1OC"	0	""	""	2	1	"363649"	NA
"628678"	628678	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(O)c4)c5cc6OCOc6cc25"	0	""	""	11	8	"363650"	NA
"628679"	628679	"furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5h)-one, 9-[(..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	NA	NA	11	10	"494189"	NA
"628680"	628680	"(5S,8aR)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	"363652"	NA
"628681"	628681	"(5S,8aR)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Oc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	2	2	"363653"	NA
"628682"	628682	"[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate"	"O=C(NCC1=[O][Pb+4]2([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([O]=C(CNC(=O)c5ccccc5)[O-]2)[O-]1)c6ccccc6"	0	""	""	1	1	"16683150"	NA
"628683"	628683	"[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate"	"CC(C)CC(NC(=O)c1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(C(CC(C)C)NC(=O)c6ccccc6)[O-]3)[O-]2"	0	""	""	1	1	"16683151"	NA
"628684"	628684	"[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate"	"O=CNC(Cc1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(C(Cc6ccccc6)NC=O)[O-]3)[O-]2"	0	""	""	1	1	"16683152"	NA
"628686"	628686	"[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate"	"Nc1ccc(cc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(c6ccc(N)cc6)[O-]3)[O-]2"	0	""	""	1	1	"16683154"	NA
"628687"	628687	"Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-"	"C(Sc1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(CSc6ccccc6)[O-]3)[O-]2"	0	""	""	1	1	"16683155"	NA
"628688"	628688	"Triphenylplumbyl 2-benzamidoacetate"	"O=C(NCC1=[O][Pb+4]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]1)c5ccccc5"	0	""	""	1	1	"16683156"	NA
"628689"	628689	"Triphenylplumbyl 2-benzamido-4-methyl-pentanoate"	"CC(C)CC(NC(=O)c1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	2	2	"16683157"	NA
"628690"	628690	"Triphenylplumbyl 2-formamido-3-phenyl-propanoate"	"O=CNC(Cc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	"16683158"	NA
"628691"	628691	"Triphenylplumbyl 2-acetamido-3-phenyl-propanoate"	"CC(=O)NC(Cc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	"16683159"	NA
"628692"	628692	"Triphenylplumbyl 4-aminobenzoate"	"Nc1ccc(cc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	"16683160"	NA
"628693"	628693	"Triphenylplumbyl 2-phenylsulfanylacetate"	"C(Sc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	"16683161"	NA
"628694"	628694	"1h-pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy- ..."	"CC1=CC(=O)Oc2c1ccc(O)c2C3=NN(C=O)C(C3)c4ccccc4"	0	""	""	5	2	"135429970"	NA
"628755"	628755	"2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one"	"COC1(CC2C(C(C1N(Cc3ccccc3)C2=O)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5)OC"	0	""	""	1	1	"363683"	NA
"628756"	628756	"2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione"	"O=C1CC2C(C(C1N(Cc3ccccc3)C2=O)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	"363684"	NA
"628803"	628803	"s-(-)pyrido[3,4-b]pyrazin-7-ylcarbamic acid, 5-amino-1,2..."	"C[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c3ccccc3"	0	""	""	2	2	"11969855"	NA
"628811"	628811	"1,1-Bis(4-methoxyphenyl)-2-nitroethene"	"COc1ccc(cc1)C(=C[N+](=O)[O-])c2ccc(OC)cc2"	0	""	""	2	1	"363696"	NA
"628865"	628865	"AHS-3/51 Azomycin acyclonucleoside"	"OCCOCn1ccnc1[N+](=O)[O-]"	0	""	""	1	1	"363705"	NA
"628866"	628866	"viscosin"	"CCCCCCC[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C)C(C)CC"	0	NA	NA	1	1	"494259"	NA
"628876"	628876	"3-methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione"	"CN1C(=O)NC2=C(C(=O)CN2)C1=O"	0	""	""	1	1	"363716"	NA
"628878"	628878	"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate"	"COc1nc(NC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3C(=C(C)C(=O)Oc3n1)OC(=O)C"	0	""	""	1	1	"363718"	NA
"628906"	628906	"3-(2-n,n-diethylaminoethylamino)-1,2,4-benzotriazine 1,4..."	"CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	2	1	"135510092"	NA
"628907"	628907	"3-hydroxy-7-nitro-1,2,4-benzotriazine 1-oxide"	"Oc1nc2ccc(cc2[n+]([O-])n1)[N+](=O)[O-]"	0	""	""	2	1	"6711495"	NA
"628908"	628908	"3-chloro-7-nitro-1,2,4-benzotriazine 1-oxide"	"[O-][N+](=O)c1ccc2nc(Cl)n[n+]([O-])c2c1"	0	""	""	2	2	"6711496"	NA
"628909"	628909	"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide"	"[O-][N+](=O)c1ccc2nc(NC(=O)C(F)(F)F)n[n+]([O-])c2c1"	0	""	""	1	1	"6711497"	NA
"628910"	628910	"3-(2-n,n-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1nc2ccc(cc2[n+]([O-])n1)[N+](=O)[O-]"	0	""	""	1	1	"22609881"	NA
"628911"	628911	"3-(2-n,n-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	"135510093"	NA
"628915"	628915	"3-(2-n,n-diethylaminoethylamino)-1,2,4-benzotriazine 1,4..."	"CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	"135503433"	NA
"628916"	628916	"3-(3,n,n-diethylaminopropylamino)-1,2,4-benzotriazine 1,..."	"CCN(CC)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	"135503434"	NA
"628917"	628917	"3-(2-n,n-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	"135426847"	NA
"628918"	628918	"3-(2-n,n-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	"135488943"	NA
"628919"	628919	"7-(2-acetoxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin..."	"CC(=O)OC(COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])CN3CCCCC3"	0	""	""	1	1	"135510094"	NA
"628930"	628930	""	"Oc1ccc2ccccc2c1C3=CC(=O)C(=O)c4ccccc34"	0	NA	NA	4	2	"494298"	NA
"628931"	628931	"2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide"	"O=S1C(=C2C=CC(=C3Sc4ccccc4S3)C=C2)Sc5ccccc15"	0	""	""	2	1	"363740"	NA
"628935"	628935	"5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole"	"COc1cc2noc(c3ccccc3)c2cc1OC"	0	""	""	1	1	"363744"	NA
"628939"	628939	"A823218"	"O=C1c2ccccc2C(=O)c3c1ccc4conc34"	0	""	""	5	4	"363747"	NA
"628945"	628945	"STK367370"	"Cc1cc2C(=O)c3ccccc3C(=O)c2c(N)c1C"	0	""	""	1	1	"363753"	NA
"628946"	628946	"5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline"	"COc1cc2ccnc3c4c(occ4c(c1OC)c23)SC"	0	""	""	1	1	"363754"	NA
"628949"	628949	"2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one"	"CC1=CC(=O)N(N1)c2cc3cccccc3n2"	0	""	""	1	1	"363757"	NA
"628995"	628995	"androst-1-en-3-one, 17-acetyloxy-5-methyl-, (5-beta, 17-..."	"CC(=O)O[C@H]1CCC2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@]4(C)C3CC[C@]12C"	0	NA	NA	3	1	"494347"	NA
"628999"	628999	"4-Methyltropolone"	"CC1=CC(=O)C(=CC=C1)O"	0	""	""	1	1	"11424"	NA
"629006"	629006	"(methyldispiro[[?]]yl) benzoate"	"CC12CCC3(OCCO3)C(=C1CCC24OCCO4)OC(=O)c5ccccc5"	0	""	""	1	1	"363792"	NA
"629011"	629011	"7-(4-Bromophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile"	"CN1NC(=C(C#N)C(=O)CC1c2ccc(Br)cc2)c3ccccc3"	0	""	""	1	1	"363797"	NA
"629012"	629012	"7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile"	"Clc1ccc(cc1)C2CC(=O)C(=C(NN2)c3ccccc3)C#N"	0	""	""	1	1	"363798"	NA
"629016"	629016	"2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	"CN(C)c1ccc(cc1)C2CC(=O)C(=C(NN2C)c3ccccc3)C#N"	0	""	""	1	1	"363802"	NA
"629035"	629035	"2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-"	"O=Cc1ccc(s1)c2oc(cc2)c3ccc(C=O)s3"	0	""	""	3	3	"363820"	NA
"629039"	629039	"1,3,4,6-Tetrathiapentalene-2,5-dithione"	"S=C1SC2=C(SC(=S)S2)S1"	0	""	""	1	1	"363823"	NA
"629041"	629041	"Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate"	"CCOC(=O)C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	3	1	"363825"	NA
"629105"	629105	"7-benzyl-3,4-dihydro-3,4-dimethyk-2h-1,4-diazepino[6,5-c..."	"CC1N(C)C(=O)C2=CN(Cc3ccccc3)c4ccccc4C2=NC1=O"	0	""	""	1	1	"363839"	NA
"629107"	629107	"2,7-Dicyanoxanthone"	"O=C1c2cc(ccc2Oc3ccc(cc13)C#N)C#N"	0	""	""	1	1	"363841"	NA
"629109"	629109	"3-(1-Adamantylamino)-1-phenylpropane"	"O=C(CCNC12CC3CC(CC(C3)C1)C2)c4ccccc4"	0	""	""	1	1	"363844"	NA
"629122"	629122	"acetyl(diphenyl)[?]tetrone"	"CC(=O)N1c2ccccc2C3=CC4C5C(C(=O)N(C5=O)c6ccccc6)C13C7C4C(=O)N(C7=O)c8ccccc8"	0	""	""	1	1	"363857"	NA
"629124"	629124	"1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole"	"[O-][N+](=O)\C=C\c1cn(C(=O)c2ccccc2)c3ccccc13"	0	""	""	1	1	"5387875"	NA
"629155"	629155	"4-[1-Hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one"	"CC1(CO)C(O)CCC2(C)C(CC(O)C3=CCOC3=O)C(=C)CCC12"	0	""	""	1	1	"363866"	NA
"629156"	629156	"6'-Bromodihydropapaverine"	"COc1cc(Br)c(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC"	0	""	""	1	1	"43029"	NA
"629221"	629221	"[(3E,8R,10R,13S,17S)-3-(ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4[C@@H]3CCC2=C1)OC(=O)NCC"	0	""	""	1	1	"9569952"	NA
"629222"	629222	"[(3E,8R,10R,13S,17S)-10,13-dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate"	"C[C@]12CCC3[C@@H](CCC4=C\C(=N\OC(=O)Nc5ccccc5)\CC[C@]34C)C1CC[C@@H]2OC(=O)Nc6ccccc6"	0	""	""	1	1	"9569953"	NA
"629224"	629224	"3-[(E)-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile"	"C[C@]12CC[C@@H](CC1=CC[C@H]3C4CC\C(=N/OCCC#N)\[C@@]4(C)CCC23)OC5CCCCO5"	0	""	""	1	1	"9569955"	NA
"629225"	629225	"[(E)-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC5CCCCO5"	0	""	""	1	1	"9569956"	NA
"629227"	629227	"[(3S,8R,10R,13S,17E)-17-(ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)NCC"	0	""	""	1	1	"9569958"	NA
"629228"	629228	"[(3S,8R,10R,13S,17E)-10,13-dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate"	"CC(C)NC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)NC(C)C"	0	""	""	2	2	"9569959"	NA
"629229"	629229	"[(3S,8R,10R,13S,17E)-10,13-dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate"	"C[C@]12CC[C@@H](CC1=CC[C@H]3C4CC\C(=N/OC(=O)Nc5ccccc5)\[C@@]4(C)CCC23)OC(=O)Nc6ccccc6"	0	""	""	1	1	"9569960"	NA
"629266"	629266	"9-n-(n'-bis-chloroethyl-n-1,6-diaminohexyl)-2- methoxyac..."	"COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1"	0	NA	NA	4	4	"494465"	NA
"629286"	629286	"3-[n-(4-nitrophenyldithiocarbamoyl)]-propanoic acid"	"OC(=O)CCSC(=S)Nc1ccc(cc1)[N+](=O)[O-]"	0	""	""	2	1	"3004113"	NA
"629290"	629290	"3-[n-(3-fluorophenylthiocarbamoyl)]-propanoic acid"	"OC(=O)CCSC(=O)Nc1cccc(F)c1"	0	""	""	1	1	"363902"	NA
"629292"	629292	"3-[n-(4-ethylcarboxyphenylthiocarbamoyl)]-propanoic acid"	"CCOC(=O)c1ccc(NC(=O)SCCC(=O)O)cc1"	0	""	""	1	1	"363904"	NA
"629293"	629293	"3-(n-[sulfon(4-methylphenyl)thiocarbamoyl])-propanoic acid"	"Cc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)SCCC(=O)O)cc2"	0	""	""	1	1	"363905"	NA
"629295"	629295	"2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid"	"OC(=O)c1ccccc1SC(=O)Nc2ccc(cc2)N=Nc3ccccc3"	0	""	""	1	1	"363907"	NA
"629298"	629298	"2-[n-(3-fluorophenyldithiocarbamoyl)]-propanoic acid"	"CC(SC(=S)Nc1cccc(F)c1)C(=O)O"	0	""	""	1	1	"3004115"	NA
"629300"	629300	"methyl 3-[n-(2-chlorophenylthiocarbamoyl)]-propanoate"	"COC(=O)CCSC(=O)Nc1ccccc1Cl"	0	""	""	1	1	"363911"	NA
"629301"	629301	"tetracyanoethylene-cyclohepta[cd]benzofuran diels alder ..."	"N#CC1(C#N)C2C=CC(c3cccc4occ2c34)C1(C#N)C#N"	0	""	""	2	2	"363912"	"123958418"
"629412"	629412	""	"CCOC(=O)C(Sc1ccccc1)C2=C(OC(=O)C=C2OC)\C=[N+](\[O-])/c3ccc(cc3)N(C)C"	0	NA	NA	1	1	"494519"	NA
"629413"	629413	"Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate"	"CCOC(=O)C12CN(CC(C(OC1c3ccccc3)c4ccccc4)(C(=O)OCC)C2=O)C56CC7CC(CC(C7)C5)C6"	0	""	""	1	1	"363925"	NA
"629451"	629451	"gallidermin"	"CCC(C)C(N)C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC1=O)C(=O)NC3C(C)SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N\C(=C/C)\C(=O)NCC(=O)NC5CSCC6NC(=O)C(Cc7ccc(O)cc7)NC(=O)C(CS\C=C\NC6=O)NC(=O)C(CC(=O)N)NC(=O)C(Cc8ccccc8)NC5=O"	0	NA	NA	1	1	"494536"	NA
"629487"	629487	"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine"	"Nc1nnc2c(n[nH]c2n1)c3ccccc3"	0	""	""	1	1	"6399307"	NA
"629501"	629501	"2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile"	"CN(C)c1ccc(cc1)C(=C(C#N)C#N)C=C2c3ccccc3Sc4ccccc24"	0	""	""	1	1	"363964"	NA
"629595"	629595	"(3,7,7-Trimethyl-5,14-dioxo-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraen-15-yl) acetate"	"CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)OC3(C)CC2=C(OC(=O)C)C1=O"	0	""	""	2	1	"363975"	NA
"629619"	629619	"N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	"363997"	NA
"629620"	629620	"N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	"363998"	NA
"629621"	629621	"N4-[10-[(2-amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine"	"Nc1nc(Cl)cc(NCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	"363999"	NA
"629622"	629622	""	"CCN1c2ccccc2c3c4c1cc(C)cc4c5ccccc5[n+]3CC"	0	NA	NA	1	1	"494605"	NA
"629625"	629625	""	"Clc1ccc(cc1)C(=O)O\N=C\2/C(/CCCC2)=C/c3ccccc3"	0	NA	NA	1	1	"494608"	NA
"629626"	629626	""	"Clc1ccc(cc1Cl)C(=O)O\N=C\2/C(/CCCC2)=C/c3ccccc3"	0	NA	NA	1	1	"494609"	NA
"629676"	629676	"n-benzyl-2(r)-hydroxymethyl-3(r),4(r),5(s)- tribenzyloxy..."	"OCC1C(OCc2ccccc2)C(OCc3ccccc3)C(CN1Cc4ccccc4)OCc5ccccc5"	0	""	""	1	1	"364050"	NA
"629701"	629701	"3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one"	"Clc1n[nH]c2c3C(=O)c4ccccc4Nc3ccc12"	0	""	""	2	1	"438262"	NA
"629711"	629711	"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole"	"Clc1ccccc1C(n2cc(Br)cn2)n3cc(Br)cn3"	0	""	""	1	1	"364072"	NA
"629713"	629713	"DPBQ"	"O=C1c2ccccc2C(=O)c3nc(c4ccccc4)c(nc13)c5ccccc5"	0	""	""	2	2	"364074"	NA
"629724"	629724	""	"[R][N+](=O)[O-].O=C1N2CCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	"581133"	NA
"629727"	629727	""	"[R][N+](=O)[O-].O=C1N2CCCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	"581134"	NA
"629728"	629728	""	"[Cl-].[R]N.O=C1N2CCCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	"581135"	NA
"629730"	629730	"Cyto6F11"	"[O-][N+](=O)c1cc2C(=O)N(CCCN3CCN(CCCN4C(=O)c5cccc6cc(cc(C4=O)c56)[N+](=O)[O-])CC3)C(=O)c7cccc(c1)c27"	0	""	""	1	1	"364089"	NA
"629733"	629733	"1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-"	"C(CCCCNCc1cccc2ccccc12)CCCNCc3cccc4ccccc34"	0	""	""	1	1	"364092"	NA
"629734"	629734	"N,N'-bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine"	"C(CCCCCCNCc1cccc2ccccc12)CCCCCNCc3cccc4ccccc34"	0	""	""	1	1	"364093"	NA
"629735"	629735	"1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine"	"C(CNCc1cccc2ccccc12)CN3CCN(CCCNCc4cccc5ccccc45)CC3"	0	""	""	1	1	"364094"	NA
"629736"	629736	"1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine"	"C(N1CCC(CC1)C2CCN(Cc3cccc4ccccc34)CC2)c5cccc6ccccc56"	0	""	""	2	2	"364095"	NA
"629737"	629737	"N,N'-(1,6-Hexanediyl)bis(1-naphthamide)"	"O=C(NCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	"364096"	NA
"629738"	629738	"1-naphthalenecarboxamide, n,n'-1,8-(octanediyl)bis-"	"O=C(NCCCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	3	3	"364097"	NA
"629739"	629739	"N-[12-(naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide"	"O=C(NCCCCCCCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	2	2	"364098"	NA
"629740"	629740	"N-[3-[4-[3-(naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide"	"O=C(NCCCN1CCN(CCCNC(=O)c2cccc3ccccc23)CC1)c4cccc5ccccc45"	0	""	""	1	1	"364099"	NA
"629742"	629742	"13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol"	"CN1CCc2cc(O)c3Oc4c5OCOc5cc6CCN(C)C(Cc7ccc(O)c(Oc8ccc(CC1c2c3)cc8)c7)c46"	0	""	""	1	1	"364101"	NA
"629745"	629745	"7,22-Dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene-16,27-diol"	"CN1CCc2cc3Oc4c(O)cc5CCN(C)C6Cc7ccc(O)c(Oc8ccc(CC1c2cc3Oc4c56)cc8)c7"	0	""	""	2	2	"364104"	NA
"629749"	629749	"Lapachone"	"CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O"	0	"TOP2|TOP1"	"Clinical trial"	2	2	"-1"	NA
"629754"	629754	"dehydro iso-.alpha.-lapachone"	"CC(=C)C1CC2=C(O1)C(=O)c3ccccc3C2=O"	0	""	""	1	1	"364109"	NA
"629784"	629784	"6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3cc(C)c(C)c(C(=O)O)c3O2"	0	""	""	1	1	"364115"	NA
"629789"	629789	"6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid"	"Cc1cc2C(=O)C=C(Oc2c(C(=O)O)c1C)c3cccs3"	0	""	""	1	1	"364120"	NA
"629798"	629798	"2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile"	"CC(=O)CCC1(OC(=O)C(=C1c2ccccc2)C#N)c3ccccc3"	0	""	""	1	1	"364128"	NA
"629801"	629801	"cholera toxin"	NA	0	NA	NA	2	2	"494740"	NA
"629821"	629821	"4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	"Cc1cc(Br)ccc1N=Nc2c(C)nn(c3ccccc3)c2c4ccccc4"	0	""	""	1	1	"364149"	NA
"629824"	629824	"4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	"Cc1ccc(N=Nc2c(C)nn(c3ccccc3)c2c4ccccc4)c(Br)c1"	0	""	""	1	1	"364152"	NA
"629829"	629829	"6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione"	"COc1ccc(cc1)\N=C\2/SSC3=C2SSC3=S"	0	""	""	1	1	"364157"	NA
"629830"	629830	"(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate"	"CC1=C(SC#N)C(=C(SC#N)S(=O)(=O)N1c2ccccc2)C"	0	""	""	1	1	"364158"	NA
"629831"	629831	"homopterocarpin"	"COc1ccc2[C@H]3Oc4cc(OC)ccc4[C@H]3COc2c1"	0	""	""	1	1	"364159"	NA
"629867"	629867	"STL264933"	"Clc1ccc(OCc2nnc3SCC(=Nn23)c4ccccc4)c(Cl)c1"	0	""	""	1	1	"364167"	NA
"629868"	629868	"6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Clc1ccc(OCc2nnc3SCC(=Nn23)c4ccc(Br)cc4)cc1"	0	""	""	1	1	"364168"	NA
"629870"	629870	""	"CN(\N=C\c1ccnc2ccccc12)c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	1	1	"494780"	NA
"629872"	629872	"N-methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline"	"CN(\N=C\c1cccc2cccnc12)c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"9555797"	NA
"629874"	629874	"benzenamine, 4-ethoxy-n-[(4-quinolinyl)methylene]-"	"CCOc1ccc(cc1)\N=C\c2ccnc3ccccc23"	0	""	""	6	5	"364174"	NA
"629910"	629910	""	"CC(CN(C)C)\C(=N/Nc1ccccc1)\c2ccccc2"	0	NA	NA	1	1	"494788"	NA
"629912"	629912	""	"CN(C)CC\C(=N/Nc1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	"494790"	NA
"629918"	629918	""	"COc1ccc(N\N=C(/CCN(C)C)\c2ccccc2)cc1"	0	NA	NA	1	1	"494796"	NA
"629920"	629920	""	"CN(C)CC\C(=N/Nc1c(F)c(F)c(F)c(F)c1F)\c2ccccc2"	0	NA	NA	1	1	"494798"	NA
"629924"	629924	""	"CN(C)CC(C)(C)\C(=N/Nc1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	"494802"	NA
"629928"	629928	"Triphenylplumbanol"	"O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"6328765"	NA
"629971"	629971	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	"TOP1"	""	5	5	"131182"	NA
"629972"	629972	"6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"[O-][N+](=O)c1oc(cc1)C2=Nn3cnnc3SC2"	0	""	""	1	1	"364210"	NA
"629973"	629973	"6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"[O-][N+](=O)c1oc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4"	0	""	""	1	1	"364211"	NA
"629974"	629974	"7h-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-chlorop..."	"[O-][N+](=O)c1oc(cc1)C2=Nn3c(SC2)nnc3c4ccc(Cl)cc4"	0	""	""	5	2	"364212"	"117257666"
"630004"	630004	"1,4-hydroquinone-2-methoxy-5-dimethylaminomethyl-6-(10-h..."	"CCCCCC\C=C/CCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C"	0	NA	NA	1	1	"494819"	NA
"630032"	630032	"NCIMech_000490"	"COC(=O)N\C(=N/C(=O)OC)\Nc1ccc(Oc2ccccc2)cc1NC=O"	0	""	""	1	1	"135426845"	NA
"630075"	630075	"6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide"	"Clc1cccc(NC(=O)C2=Cc3cc(ccc3OC2=O)N=Nc4ccc(Br)cc4)c1"	0	""	""	1	1	"364224"	NA
"630107"	630107	"1-[2-methoxyanilinomalonyl]-3,5-dimethyl-4-[2-fluorophen..."	"COc1ccccc1NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3F)c2C"	0	""	""	2	1	"364233"	NA
"630110"	630110	"1-[2-methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophen..."	"COc1ccccc1NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3Cl)c2C"	0	""	""	4	1	"364236"	NA
"630124"	630124	"1-(t-butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-..."	"CC(C)(C)n1cncn1.CC(C)(C)n2c[n+](cn2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3cnn(c3)C(C)(C)C"	0	""	""	2	1	"498452"	NA
"630128"	630128	"trichlorotris-3-(t-butyl)pyrazoleruthenium(iii)"	"CC(C)(C)c1cc[n+]([nH]1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc([nH]2)C(C)(C)C)[n+]3ccc([nH]3)C(C)(C)C"	0	""	""	4	3	"498460"	NA
"630176"	630176	"Depsipeptide"	"C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C"	0	"HDAC"	"FDA approved"	17	12	"-1"	"128517077"
"630197"	630197	"n-(2-scoa-tetradecanoyl)glycinamide"	"CCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(=O)NCC(=O)N"	0	NA	NA	1	1	"494877"	NA
"630250"	630250	"12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C\c2c(O1)ccc3ccccc23"	0	""	""	1	1	"16683553"	NA
"630251"	630251	"2,2-dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C(\N=C\c2ccccc2O1)C(C)C"	0	""	""	1	1	"16683554"	NA
"630252"	630252	"2,2-dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C\c2ccccc2O1"	0	""	""	1	1	"16683555"	NA
"630253"	630253	"2,2-dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C(\C)/c2ccccc2O1"	0	""	""	1	1	"16683556"	NA
"630257"	630257	""	"[O-][N+](=O)C1C2CC(C=C2)[C@H]1c3ccc(Cl)cc3Cl"	0	NA	NA	1	1	"494885"	NA
"630259"	630259	""	"[O-][N+](=O)C1C2CC(C=C2)[C@H]1c3occc3"	0	NA	NA	1	1	"494887"	NA
"630299"	630299	""	"CC(C)C\C(=N/NC(=O)c1cc2ccccc2cc1O)\CC(=O)CCC(=O)Nc3ccccc3[N+](=O)[O-]"	0	NA	NA	1	1	"494909"	NA
"630300"	630300	"N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide"	"Cc1cccc(C)c1NC(=O)CCC(=O)NNC(=O)c2cc(O)c3ccccc3c2"	0	""	""	1	1	"364282"	NA
"630307"	630307	"Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate"	"COC(=O)c1cccc2cccc(C(=O)Nc3ccc(Cl)cc3)c12"	0	""	""	2	2	"364289"	NA
"630310"	630310	"6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide"	"Oc1cc2ccccc2cc1C(=O)N\N=C(/CCCC(=O)Nc3cccc(c3)[N+](=O)[O-])\C(C#N)c4ccccc4"	0	""	""	1	1	"9569985"	NA
"630311"	630311	"Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate"	"COC(=O)c1cccc2cccc(C(=O)Nc3ccc(C)cc3C)c12"	0	""	""	1	1	"364293"	NA
"630324"	630324	""	"NC1=NN(C(=O)C1\C(=N/NC(=O)c2cc3ccccc3cc2O)\C(=O)Nc4ccc(Cl)c(Cl)c4)c5ccccc5"	0	NA	NA	1	1	"494934"	NA
"630328"	630328	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"364310"	NA
"630337"	630337	"N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"364321"	NA
"630341"	630341	"[2-[(2E)-2-[1-(2,5-Dichloroanilino)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"COc1ccc2c(c1)[n+]([O-])c(C(=O)C\C(=N/NC(=O)C[N+](C)(C)C)\C(=O)Nc3cc(Cl)ccc3Cl)c(C)[n+]2[O-]"	0	""	""	1	1	"9569990"	NA
"630342"	630342	"2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide"	"CC(C)c1ccccc1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3cc(C)c(C)cc3[n+]2[O-]"	0	""	""	1	1	"364327"	NA
"630352"	630352	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2cccc(c2)C(F)(F)F)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"364337"	NA
"630353"	630353	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	"364338"	NA
"630357"	630357	"N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide"	"CC(\C(=N\NC(=O)c1c(O)ccc2ccccc12)\CCC(=O)Nc3cc(C)ccc3C)C(=O)c4ccc(O)cc4"	0	""	""	1	1	"9555801"	NA
"630365"	630365	"5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide"	"NNC(=O)C(=O)N\N=C(/CCC(=O)Nc1ccc(Cl)cc1)\Cc2nc3ccccc3s2"	0	""	""	1	1	"9555802"	NA
"630373"	630373	"3-Hydroxy-N-[(E)-[1-(4-hydroxy-3-methoxyphenyl)-7-(2-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]naphthalene-2-carboxamide"	"COc1cc(ccc1O)C(=O)C\C(=N\NC(=O)c2cc3ccccc3cc2O)\CCCC(=O)Nc4ccccc4[N+](=O)[O-]"	0	""	""	2	1	"9569991"	NA
"630375"	630375	"2h-1-benzopyran-2-one, 4-(2-benzofuranyl)-7-methoxy-"	"COc1ccc2C(=CC(=O)Oc2c1)c3oc4ccccc4c3"	0	""	""	4	2	"364364"	NA
"630425"	630425	"4,8-Dibromo-11-hydroxy-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-3-one"	"CC1(Br)CC2OC3(Br)C=CC(C)(O)C2(CC1=O)C3(C)C"	0	""	""	3	1	"364366"	NA
"630450"	630450	""	"C[C@H]1[C@@H](CC[C@@]1(C)O)C(=C)CCCO"	0	NA	NA	1	1	"495013"	NA
"630452"	630452	""	"COc1cc2CCN3CO[C@@H](C3c2cc1OC)c4ccccc4"	0	NA	NA	5	1	"495015"	NA
"630454"	630454	"Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3ccccn3)N)[SH-]C(=N[N+]2=C(C)c4ccccn4)N"	0	""	""	1	1	"135429984"	NA
"630455"	630455	"Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3cccs3)N)[SH-]C(=N[N+]2=C(C)c4cccs4)N"	0	""	""	1	1	"135429985"	NA
"630456"	630456	"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine"	"CC(=[N+]1N=C(SCc2ccccc2)[SH-][Sn+4]13([CH2-])([CH2-])[SH-]C(=N[N+]3=C(C)c4ccccn4)SCc5ccccc5)c6ccccn6"	0	""	""	1	1	"9571253"	NA
"630457"	630457	"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3ccccn3)SCc4ccccc4)[SH-]C(=N[N+]2=C(C)c5ccccn5)SCc6ccccc6"	0	""	""	1	1	"9571254"	NA
"630459"	630459	"(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=Cc3occc3)SCc4ccccc4)[SH-]C(=N[N+]2=Cc5occc5)SCc6ccccc6"	0	""	""	1	1	"9571256"	NA
"630507"	630507	""	"CC(C)CCC[C@@H](C)C1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)C(=O)NCCN(C)C"	0	NA	NA	1	1	"495022"	NA
"630511"	630511	"1,4-benzoquinone-2-methoxy-5-dimethylaminomethyl- 6-(10-..."	"CCCCCC\C=C/CCCCCCCCCC1=C(CN(C)C)C(=O)C=C(OC)C1=O"	0	NA	NA	2	2	"495025"	NA
"630599"	630599	""	"CC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	2	2	"495028"	NA
"630600"	630600	""	"ClC(Cl)(Cl)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	"495029"	NA
"630601"	630601	""	"FC(F)(F)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	"495030"	NA
"630602"	630602	"1-piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methy..."	"CCOC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	4	3	"5388001"	NA
"630603"	630603	""	"ClC(Cl)(Cl)COC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	"495032"	NA
"630604"	630604	""	"O=C(Oc1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	1	1	"495033"	NA
"630605"	630605	"1-piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methy..."	"COc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	3	"495034"	NA
"630606"	630606	"1-piperidinecarboxylic acid, 3,5-bis(phenylmethylene)- 4..."	"Cc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	3	"495035"	NA
"630607"	630607	""	"Clc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	2	2	"495036"	NA
"630608"	630608	""	"[O-][N+](=O)c1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	2	"495037"	NA
"630609"	630609	"1-piperidinecarboxylic acid, 3,5-bis(phenylmethylene)- 4..."	"O=C(OCc1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	4	3	"495038"	NA
"630615"	630615	"pentammineazidocobalt(iii)iodide"	"[I-].[NH3+][Co+3]([NH3+])([NH3+])([NH3+])([NH3+])[NH-]=[N+]=[N-]"	0	NA	NA	1	1	"581156"	NA
"630670"	630670	""	"CC[S+](C)c1ccc(cc1)c2c3C=Cc([nH]3)c(c4ccc(cc4)[S+](C)CC)c5ccc(n5)c(c6ccc(cc6)[S+](C)CC)c7ccc([nH]7)c(c8ccc(cc8)[S+](C)CC)c9ccc2n9"	0	NA	NA	1	1	"581206"	NA
"630678"	630678	"streptomyces antibiotic"	"CCC(C)SC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	6	4	"149070"	NA
"630679"	630679	"Antineoplastic-D630679"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	2	1	"149075"	NA
"630680"	630680	"Antineoplastic-630680"	"CC(C)SC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	2	1	"149080"	NA
"630684"	630684	"8-quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methy..."	"CN(\N=C\c1cccc2cccnc12)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	6	3	"9555808"	NA
"630686"	630686	"N-(9-Acridinylmethylene)-4-ethoxyaniline"	"CCOc1ccc(cc1)\N=C\c2c3ccccc3nc4ccccc24"	0	""	""	1	1	"364426"	NA
"630688"	630688	"[2,2'-Bithiophene]-5-carboxaldehyde"	"O=Cc1ccc(s1)c2cccs2"	0	""	""	6	6	"364428"	NA
"630695"	630695	"Amchloramide"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4nc12"	0	""	""	1	1	"364434"	NA
"630696"	630696	"Amchlorguanidine"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc4nc12"	0	""	""	1	1	"364435"	NA
"630697"	630697	"Amchlordimidine"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)c5ccccc5nc12"	0	""	""	1	1	"364436"	NA
"630698"	630698	"Amchloroxazole"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)c5ccccc5nc12"	0	""	""	1	1	"364437"	NA
"630699"	630699	"Amilamide"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4nc12"	0	""	""	1	1	"364438"	NA
"630700"	630700	"Amiguanidine"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc4nc12"	0	""	""	1	1	"364439"	NA
"630701"	630701	"Amidimidine"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)c5ccccc5nc12"	0	""	""	1	1	"364440"	NA
"630702"	630702	"Amioxazole"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)c5ccccc5nc12"	0	""	""	1	1	"364441"	NA
"630703"	630703	"Acridomide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	1	1	"364442"	NA
"630705"	630705	"Acridodimidine"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4C(=O)c5ccccc5Nc34)cc2)n1"	0	""	""	1	1	"364444"	NA
"630712"	630712	"Toluacrone"	"Cc1ccc(NC(=O)COC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	1	1	"364451"	NA
"630717"	630717	"Nilacrone"	"NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	3	2	"364456"	NA
"630724"	630724	"N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide"	"Clc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	1	1	"364463"	NA
"630732"	630732	"1,4-benzoquinone-2-methoxy-5-(4-methyl-1-piperazinyl) me..."	"[Cl-].CCCCCC\C=C/CCCCCCCCCC1=C(CN2CCN(C)CC2)C(=O)C=C(OC)C1=O"	0	NA	NA	2	2	"495098"	NA
"630734"	630734	"Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate"	"COC(=O)C1=[C-](C(=O)OC)[Ir+3]([N+]#CC)([N+]#CC)([C-](=C1C(=O)OC)C(=O)OC)(P(c2ccccc2)(c3ccccc3)c4ccccc4)P(c5ccccc5)(c6ccccc6)c7ccccc7.[F-][B+3]([F-])([F-])[F-]"	0	""	""	1	1	"498529"	NA
"630735"	630735	"chloro(diphenyl)[?]dione; triphenylphosphane"	"[Cl-][Ir+3]1(P(c2ccccc2)(c3ccccc3)c4ccccc4)(P(c5ccccc5)(c6ccccc6)c7ccccc7)[C-](=C8C(=O)c9ccccc9C(=O)C8=[C-]1c%10ccccc%10)c%11ccccc%11"	0	""	""	1	1	"11979910"	NA
"630765"	630765	""	"[Cl-][Pt+2]1([Cl-])NCC[Si](C)(C)CN1"	0	NA	NA	3	2	"581208"	NA
"630809"	630809	"[4,5-Diacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-3-yl] acetate"	"CCCC(=O)C1=C(NOC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N=C(OC)N(C)C1=O"	0	""	""	1	1	"364477"	NA
"630810"	630810	"[3,4,5-Triacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate"	"CCCC(=O)C1=C(NOC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N=C(OC)N(C)C1=O"	0	""	""	1	1	"364478"	NA
"630823"	630823	"Tetra(4-methoxyphenol)tin"	"COc1ccc(cc1)[Sn](c2ccc(OC)cc2)(c3ccc(OC)cc3)c4ccc(OC)cc4"	0	""	""	1	1	"364483"	NA
"630825"	630825	"Tetra(4-dimethylaminophenyl)tin"	"CN(C)c1ccc(cc1)[Sn](c2ccc(cc2)N(C)C)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C"	0	""	""	1	1	"364486"	NA
"630837"	630837	"pseudolarolide b"	"CC1C[C@]2(OC3CC4(C)C5CCC6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]4(C)C13)OC(=O)C(=C2)C"	0	""	""	1	1	"6711550"	NA
"630876"	630876	"12B-019"	"O=C(Nc1ccccc1)n2cc(c3ccccn3)c(n2)N4CCOCC4"	0	""	""	1	1	"364494"	NA
"630882"	630882	"N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide"	"CC(=O)Nc1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1"	0	""	""	2	1	"5388013"	NA
"630886"	630886	"CBMicro_014371"	"CC1=N\C(=C/c2c(O)ccc3ccccc23)\C(=O)O1"	0	""	""	1	1	"135451145"	NA
"630887"	630887	"(4Z)-4-[(2,5-dichlorophenyl)methylene]-2-phenyl-oxazol-5-one"	"Clc1ccc(Cl)c(\C=C\2/N=C(OC2=O)c3ccccc3)c1"	0	""	""	1	1	"5388017"	NA
"630912"	630912	"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3cccc4ccccc34)C(=O)Nc5ccccc5OC)C"	0	""	""	1	1	"364526"	NA
"630922"	630922	"1-methylethyl-2-chloro-5-[n-(phenylmethyl)- (2-methoxybe..."	"COc1ccccc1C(=O)N(Cc2ccccc2)c3ccc(Cl)c(c3)C(=O)OC(C)C"	0	""	""	2	2	"364531"	NA
"630956"	630956	"1h-isoindole-1,3(2h)-dione, 5-(dimethylamino)-, 2-[[(1-m..."	"CC(C)S(=O)(=O)ON1C(=O)c2ccc(cc2C1=O)N(C)C"	0	""	""	3	3	"364534"	NA
"630959"	630959	""	"Cc1cccc(\C=N\NC(=N)NO)n1"	0	NA	NA	1	1	"495177"	NA
"630962"	630962	""	"CS(=O)(=O)Oc1cccc(\C=N\NC(=N)NO)c1"	0	NA	NA	1	1	"495180"	NA
"630964"	630964	""	"COc1ccc(OC)c(\C=N\NC(=N)NO)c1"	0	NA	NA	1	1	"495182"	NA
"630973"	630973	"methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)c2ccccc2)C3(O)CCCC(=O)C13C"	0	""	""	1	1	"364553"	NA
"630975"	630975	"Methyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)N)C(C)(O)C12CCOC2=O"	0	""	""	1	1	"364555"	NA
"630976"	630976	"Methyl 7-(benzoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)c2ccccc2)C(C)(O)C13CCOC3=O"	0	""	""	1	1	"364556"	NA
"630982"	630982	"Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate"	"CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C3(N)N(NC(=O)Nc4ccccc4)C(=C(C(=O)OCC)C13C(=O)OCC)C"	0	""	""	1	1	"364562"	NA
"630988"	630988	"[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel"	"CSC1=N[N+]2=CC(=[N+]3N=C(NCCc4cnc[nH]4)[SH-][Ni+2]23[SH-]1)c5ccccc5"	0	""	""	1	1	"135484793"	NA
"630994"	630994	"[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel"	"CSC1=N[N+]2=CC(=[N+]3N=C(NCCC(=O)O)[SH-][Ni+2]23[SH-]1)c4ccccc4"	0	""	""	1	1	"135484799"	NA
"630995"	630995	"coenzyme a, s-(3-methylene-1-oxododecyl)-, tetrasodium salt"	"CCCCCCCCCC(=C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23"	0	NA	NA	3	1	"495207"	NA
"631059"	631059	"16-oximino-17-oxo-5-.beta.-androstano[3,4-c]-1',2',5'- o..."	"C[C@]12CCc3nonc3[C@H]1CC[C@@H]4C2CC[C@@]5(C)C4C\C(=N\O)\C5=O"	0	NA	NA	1	1	"495212"	NA
"631061"	631061	"4-androsteno[3,2-c]-isoxazole-4,17-.beta.-diol"	"C[C@]12CCC3[C@@H](CCC4=C(O)c5nocc5C[C@]34C)C1CC[C@@H]2O"	0	NA	NA	1	1	"495214"	NA
"631063"	631063	"17-aza-d-homo-5.beta.-androstano[3,4-c]-1',2',5'- oxadia..."	"C[C@]12CCC3[C@@H](CC[C@@H]4c5nonc5CC[C@]34C)C1CCC(=O)N2"	0	NA	NA	2	1	"495216"	NA
"631067"	631067	"4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one"	"CN1CCCC2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"495220"	NA
"631070"	631070	"17-.beta.-hydroxy-5-.alpha.-androstano[2,3-d]pyrazol-4-one"	"C[C@]12CCC3[C@@H](CCC4C(=O)c5[nH]ncc5C[C@]34C)C1CC[C@@H]2O"	0	NA	NA	1	1	"495223"	NA
"631073"	631073	"4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate"	"CCOc1cc(\C=C\C=C\c2ccc(cc2)N(C)C)[s+]c3ccccc13"	0	""	""	1	1	"5493872"	NA
"631074"	631074	"[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate"	"CCOc1cc(\C=C\C=C\C=C\c2ccc(cc2)N(C)C)[s+]c3ccccc13"	0	""	""	1	1	"5493874"	NA
"631075"	631075	""	"CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)c4ccccc4[s+]2)cc1"	0	NA	NA	1	1	"581210"	NA
"631076"	631076	"1-Adamantanamine, N-[(2-bromophenyl)methylene]-"	"Brc1ccccc1\C=N\C23CC4CC(CC(C4)C2)C3"	0	""	""	5	4	"364586"	NA
"631086"	631086	"N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine"	"FC(F)(F)c1ccccc1\C=N/C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	"364596"	NA
"631129"	631129	"STK070014"	"Cn1cnc(c1Sc2nc3ccccc3[nH]2)[N+](=O)[O-]"	0	""	""	1	1	"364601"	NA
"631132"	631132	"1H-Benzimidazole, 5-chloro-6-fluoro-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"Cn1cnc(c1Sc2nc3cc(F)c(Cl)cc3[nH]2)[N+](=O)[O-]"	0	""	""	1	1	"364604"	NA
"631133"	631133	"1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"COc1cc2nc(Sc3c(ncn3C)[N+](=O)[O-])[nH]c2cc1OC"	0	""	""	1	1	"364605"	NA
"631136"	631136	"Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"Cn1cnc(c1Sc2oc3ccccc3n2)[N+](=O)[O-]"	0	""	""	2	2	"364608"	NA
"631137"	631137	"AJ-333/36116012"	"Cn1cnc(c1Sc2nc3ccccc3s2)[N+](=O)[O-]"	0	""	""	1	1	"364609"	NA
"631139"	631139	"1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitro-"	"Cc1cc(C)cc(Sc2c(ncn2C)[N+](=O)[O-])c1"	0	""	""	1	1	"364611"	NA
"631152"	631152	"NCIMech_000492"	"Cn1cnc(c1Sc2nnnn2c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	"364620"	NA
"631157"	631157	"4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole"	"Cn1cnnc1Sc2c(nc(c3ccc(cc3)[N+](=O)[O-])n2C)[N+](=O)[O-]"	0	""	""	1	1	"364623"	NA
"631159"	631159	"3-(4-Chlorophenyl)-4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole"	"Cn1cnc(c1Sc2nnc(c3ccc(Cl)cc3)n2C)[N+](=O)[O-]"	0	""	""	1	1	"364625"	NA
"631160"	631160	"pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1h-imidazol-5..."	"Cn1cnc(c1Sc2nnc(c3cccnc3)n2C)[N+](=O)[O-]"	0	""	""	4	3	"364626"	NA
"631197"	631197	"9-n-(n'-chloroethyl-n'-ethyl-1,4-diamino-butyl)2-methoxy..."	"CCN(CCCl)CCCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	2	2	"495301"	NA
"631199"	631199	"9-n(n'-chloroethyl-n'-ethyl-1,5-diaminopentyl)2-methoxy ..."	"CCN(CCCl)CCCCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	1	1	"495303"	NA
"631229"	631229	""	"COC(=O)c1ccc(N\C=C(\C#N)/c2ccsc2)cc1"	0	NA	NA	1	1	"495304"	NA
"631299"	631299	"4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine"	"NC1=NC2=C(CCCC2)C(S1)c3cccs3"	0	""	""	1	1	"364669"	NA
"631304"	631304	"cis-amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl..."	"[Cl-][Pt+2]([Cl-])(N)NCCc1ccc(OC)c(OC)c1"	0	""	""	1	1	"498557"	NA
"631305"	631305	"cis-dichlorobis(4-methoxyphenethylamine)platinum(ii)"	"[Cl-][Pt+2]([Cl-])(NCCc1ccc(OC)cc1)NCCc2ccc(OC)cc2"	0	""	""	3	3	"498558"	NA
"631306"	631306	"cis-amminedichloro(4-methoxyphenethylamine)platinum(ii)"	"[Cl-][Pt+2]([Cl-])(N)NCCc1ccc(OC)cc1"	0	""	""	3	3	"498559"	NA
"631340"	631340	"(2-Diphenylphosphinothioyl-1-methylene-allyl)-diphenyl-thioxo-$l^{5}-phosphane"	"C=C(C(=C)P(=S)(c1ccccc1)c2ccccc2)P(=S)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"364688"	NA
"631349"	631349	"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole"	"Clc1ccc(cc1)C(n2cc(Br)cn2)n3cc(Br)cn3"	0	""	""	1	1	"364697"	NA
"631356"	631356	"5-[2-(4-methoxyphenyl)ethyl]-1,2,3-dimethoxy benzene"	"COc1ccc(CCc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	"364702"	NA
"631357"	631357	"5-[2-(4-ethoxyphenyl)ethenyl]-1,2,3-trimethoxy benzene"	"CCOc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"5388060"	NA
"631359"	631359	"4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline"	"COc1cc(CCc2ccc(N)cc2)cc(OC)c1OC"	0	""	""	2	1	"364705"	NA
"631360"	631360	"4-[2-(3,4,5-trimethoxyphenyl)ethenyl(2)]phenol"	"COc1cc(\C=C/c2ccc(O)cc2)cc(OC)c1OC"	0	""	""	2	2	"5388061"	NA
"631365"	631365	"5-[2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxy benzene"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	1	"5388065"	NA
"631366"	631366	"5-[2-(4-methoxyphenyl)ethyl]-1,2,3-trimethoxybenzene"	"COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	5	2	"364708"	NA
"631367"	631367	"N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride"	"COc1ccc(CNc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	1	"364709"	NA
"631369"	631369	"3,4,5-trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline"	"COc1ccc(cc1)C(C)Nc2cc(OC)c(OC)c(OC)c2"	0	""	""	2	2	"364711"	NA
"631371"	631371	"N-(3,5-Dimethoxybenzyl)-4-methoxyaniline"	"COc1ccc(NCc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	"364713"	NA
"631372"	631372	"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide"	"COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	"364714"	NA
"631374"	631374	"n-(3,4,5-trimethoxybenzyl)-4-methoxyaniline"	"COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"364716"	NA
"631376"	631376	"3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene"	"CCC1C2CCC(C=C2)N1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"364718"	NA
"631377"	631377	""	"CC[C@H]1[C@@H](C)C=C[C@@H](C)N1S(=O)(=O)c2ccc(C)cc2"	0	NA	NA	1	1	"495373"	NA
"631379"	631379	"STK789452"	"COC(=O)CC1=CC(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	"364721"	NA
"631381"	631381	"AO-476/40672106"	"CN1C2=C(C#N)C3=C(CCCC3)C(=O)N2c4ccccc14"	0	""	""	1	1	"364723"	NA
"631382"	631382	"ALBB-024940"	"Clc1c2CCCCc2c(C#N)c3nc4ccccc4n13"	0	""	""	1	1	"364724"	NA
"631384"	631384	"11-[(Triphenyl-lambda5-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	"N#Cc1c2CCCCc2c(N=P(c3ccccc3)(c4ccccc4)c5ccccc5)n6c7ccccc7nc16"	0	""	""	1	1	"364726"	NA
"631391"	631391	"7h-pyrido[4,3-c]carbazole-6-methanol,methylcarbamate (es..."	"CNC(=O)OCc1cc2ccncc2c3c4ccccc4[nH]c13"	0	""	""	2	2	"364733"	"121268891"
"631392"	631392	"(9-Methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl methylcarbamate"	"CNC(=O)OCc1c2ccncc2c(C)c3c4cc(OC)ccc4[nH]c13"	0	""	""	1	1	"364734"	NA
"631393"	631393	"Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester"	"CNC(=O)OCc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12"	0	""	""	2	2	"364735"	NA
"631441"	631441	""	"[Cl-].Cc1nnn[nH-]1[Co+3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+]"	0	NA	NA	1	1	"581215"	NA
"631448"	631448	"Antineoplastic-631448"	"COC(=O)[C@@]1(O)CC(C)C=C1C=C"	0	NA	NA	2	1	"495396"	NA
"631450"	631450	""	"COc1cc(cc2C=NN(C(=S)N)[Fe+2]3(N(N=Cc4cc(cc(OC)c4[O-]3)\N=N/c5ccccc5)C(=S)N)[O-]c12)\N=N/c6ccccc6"	0	NA	NA	1	1	"495398"	NA
"631451"	631451	""	"COc1cc(cc2C=[N+](NC(=S)N)[Fe+3]3([ClH-])([O-]c4c(OC)cc(cc4C=[N+]3NC(=S)N)N=Nc5ccccc5)[O-]c12)N=Nc6ccccc6"	0	NA	NA	1	1	"495399"	NA
"631459"	631459	"bis(4-sulfosalicylideneaniline)cobalt(ii)"	"OS(=O)(=O)c1ccc2C=[N+](c3ccccc3)[Co+2]4([N+](=Cc5ccc(cc5[O-]4)S(=O)(=O)O)c6ccccc6)[O-]c2c1"	0	NA	NA	1	1	"581227"	NA
"631467"	631467	"Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)"	"CC(C)(CO)[N+]1=Cc2ccccc2[O-][Co+2]13[O-]c4ccccc4C=[N+]3C(C)(C)CO"	0	NA	NA	5	4	"495403"	NA
"631468"	631468	"trichlorotris(4-dimethylaminopyridine)ruthenium(iii)"	"CN(C)c1cc[n+](cc1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc(cc2)N(C)C)[n+]3ccc(cc3)N(C)C"	0	NA	NA	1	1	"581234"	NA
"631469"	631469	"trichlorotris(4-tert-butylpyridine)ruthenium(iii)"	"CC(C)(C)c1cc[n+](cc1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc(cc2)C(C)(C)C)[n+]3ccc(cc3)C(C)(C)C"	0	NA	NA	1	1	"581235"	NA
"631470"	631470	"trichlorotris(4-vinylpyridine)ruthenium(iii)"	"[ClH-][Ru+3]([ClH-])([ClH-])([n+]1ccc(C=C)cc1)([n+]2ccc(C=C)cc2)[n+]3ccc(C=C)cc3"	0	NA	NA	1	1	"581236"	NA
"631477"	631477	"p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]"	"Nc1ccc(Cl)cc1.Clc2ccc([NH2+][Ru+3]34([NH2+]c5ccc(Cl)cc5)([O-]C(=O)C(=O)[O-]3)[O-]C(=O)C(=O)[O-]4)cc2"	0	""	""	2	2	"54608061"	NA
"631479"	631479	""	"[Cl-][Ru+2]1234(P(c5ccccc5)(c6ccccc6)c7ccccc7)(P(c8ccccc8)(c9ccccc9)c%10ccccc%10)[CH]%11=[CH]1[CH-]2[CH]3=[CH]4%11"	0	NA	NA	1	1	"581243"	NA
"631481"	631481	"trans-[bis-2,2'-bipyridinedioxoruthenium(vi)]- perchlora..."	"[O-]Cl(=O)(=O)=O.O=[Ru+2]12(=O)([n+]3ccccc3c4cccc[n+]14)[n+]5ccccc5c6cccc[n+]26"	0	""	""	1	1	"24202183"	NA
"631483"	631483	"pyridinium-[carbonyltetrachloropyridineruthenate(iii)]"	"[ClH-][Ru+3]([ClH-])([ClH-])([ClH-])(C#O)[n+]1ccccc1.c2ccncc2"	0	NA	NA	1	1	"495407"	NA
"631520"	631520	"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide"	"Cc1cccc(C)c1N2C(=O)C(=O)C(\C(=N\NC(=O)c3ccccc3O)\C2=O)c4nc5ccccc5s4"	0	""	""	2	2	"9555810"	NA
"631521"	631521	"naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl..."	"Clc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1Cl"	0	""	""	3	2	"364762"	NA
"631522"	631522	"J3.547.609A"	"C=CCNc1nc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	2	2	"364763"	NA
"631525"	631525	"Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-"	"O=C1c2ccccc2C(=O)c3sc(CC#N)nc13"	0	""	""	1	1	"364766"	NA
"631526"	631526	"naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-nitrophenyl) ami..."	"[O-][N+](=O)c1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	3	3	"364767"	NA
"631528"	631528	"2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Clc1cccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c1"	0	""	""	3	2	"364769"	NA
"631529"	631529	"NCIMech_000701"	"Clc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	3	2	"364770"	NA
"631531"	631531	"4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine"	"Fc1ccccc1C2CC(=Nc3ccccc3S2)C(c4ccccc4)c5ccccc5"	0	""	""	1	1	"364772"	NA
"631534"	631534	"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2=O)c4ccccc4Cl"	0	""	""	3	2	"364775"	NA
"631541"	631541	"2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide"	"FC(F)(F)c1cccc(NC(=O)Cc2nc3ccccc3s2)c1"	0	""	""	1	1	"364782"	NA
"631542"	631542	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	"C1C(Sc2ccccc2N=C1c3cccc4ccccc34)c5cccc6ccccc56"	0	""	""	2	2	"364783"	NA
"631550"	631550	"STK535604"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc4OCOc4c3)C(=O)Nc5ccccc5"	0	""	""	1	1	"364791"	NA
"631565"	631565	"4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cc(Cl)cc(Cl)c3)C(=O)Nc4ccccc4"	0	""	""	2	2	"364807"	NA
"631570"	631570	"ukrain"	"O.C[N+]1(CCNP(=S)(NCC[N+]2(C)Cc3c4OCOc4ccc3C5[C@@H](O)Cc6cc7OCOc7cc6C25)NCC[N+]8(C)Cc9c%10OCOc%10ccc9C%11[C@@H](O)Cc%12cc%13OCOc%13cc%12C8%11)Cc%14c%15OCOc%15ccc%14C%16[C@H](O)Cc%17cc%18OCOc%18cc%17C1%16"	0	NA	NA	2	1	"495487"	NA
"631571"	631571	"Ethyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(C2CCCCC2)C(=O)NC1=O"	0	""	""	1	1	"364812"	NA
"631578"	631578	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"364818"	NA
"631579"	631579	"3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"364819"	NA
"631580"	631580	"N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(Nc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"364820"	NA
"631581"	631581	"N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"364821"	NA
"631582"	631582	""	"COc1cc(Nc2nc3cc(ccc3nc2C)C(F)(F)F)cc(OC)c1OC"	0	NA	NA	1	1	"495498"	NA
"631583"	631583	"STK788796"	"NC1=C(C#N)C(c2ccccc2)c3ccc4cccnc4c3O1"	0	""	""	2	2	"364824"	NA
"631672"	631672	""	"CC\C(=N/NC(=O)c1cc2ccccc2cc1O)\CC(=O)CCC(=O)Nc3ccc(C)c(C)c3"	0	NA	NA	1	1	"495577"	NA
"631689"	631689	"4-(2-(2,4-dinitrophenyl)hydrazono)-n-(3,4  dimethylpheny..."	"Cc1ccc(NC(=O)CC\C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\CC(=O)C(C)(C)C)cc1C"	0	""	""	1	1	"6150012"	NA
"631691"	631691	"1,2-dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene"	"Cc1cc(CS(=O)(=O)\C=C\c2ccccc2[N+](=O)[O-])c(CS(=O)(=O)\C=C\c3ccccc3[N+](=O)[O-])cc1C"	0	""	""	3	2	"5388090"	NA
"631692"	631692	"2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene"	"Clc1ccc(\C=C\S(=O)(=O)Cc2ccccc2CS(=O)(=O)\C=C\c3ccc(Cl)cc3Cl)c(Cl)c1"	0	""	""	1	1	"5388091"	NA
"631700"	631700	"6-Hydroxy-4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione"	"Oc1ccc2C(=O)C(=O)C=C(c2c1)c3c(O)ccc4ccccc34"	0	""	""	1	1	"364885"	NA
"631740"	631740	""	NA	0	NA	NA	1	1	"495628"	NA
"631844"	631844	"4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide"	"[O-][N+](=O)c1cccc(c1)C(=O)CC(=O)C(=O)Nc2nc(cs2)[N+](=O)[O-]"	0	""	""	1	1	"364958"	NA
"631851"	631851	"6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide"	"Cc1ccccc1NC(=O)c2nc(S)nc(N)c2c3ccccc3C"	0	""	""	1	1	"3004145"	NA
"631880"	631880	"Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid"	"NC(=O)\C(=C\c1ccc(cc1)C(O)P(=O)(O)O)\C#N"	0	""	""	1	1	"5388097"	NA
"631887"	631887	"trichloro(1-phenyl-2,3-butanedionato)molybdenum(iv)"	"[Cl-][Mo+4]1([Cl-])([Cl-])[O]=C(C)CC(=[O]1)c2ccccc2"	0	NA	NA	1	1	"495704"	NA
"631888"	631888	"chlorobisoximatobismuth(iii)-dihydrochloride"	"[Cl-].[Cl-].[O-]1c2cccc3ccc[n+](c23)[Bi+3]14[O-]c5cccc6ccc[n+]4c56"	0	NA	NA	2	2	"581248"	NA
"631893"	631893	"Chlorooxobis(2,4-pentanedione)vanadium(V)"	"[Cl-][V+3]12(=O)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	""	""	1	1	"364991"	NA
"631894"	631894	"bis-.mu.-propionatodiaquatetrabromorhenium(ii)"	"CCC1=O[Re+3]2([OH2+])([BrH3-])([BrH3-])[O-]C(=O[Re+3]2([OH2+])([BrH3-])([BrH3-])[O-]1)CC"	0	NA	NA	1	1	"581249"	NA
"631896"	631896	"cis-Diamminedimorpholinoplatinum(II)chloride"	"[Cl-].[NH3+][Pt+2]([NH3+])([NH+]1CCOCC1)[NH+]2CCOCC2"	0	""	""	1	1	"24202186"	NA
"631911"	631911	"9h-[1,2,4]-triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(ch..."	"ClCc1nc2Sc3ccccc3C(=O)n2n1"	0	""	""	5	5	"365002"	NA
"631939"	631939	"(-)-(6r,10s,11s,18r,22s)-26-hydroxy-22-methyl-cycloirid-..."	"C[C@H]1CC=C(C)C(\C=C\C(=C\CC[C@@]2(CO)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)C1(C)C"	0	NA	NA	1	1	"495729"	NA
"631940"	631940	"(+)-(6r,10s,11s,14s,26r)-26-hydroxy-15-methylidenespiroi..."	"CC(=CCC\C(=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)C"	0	""	""	1	1	"11969876"	NA
"631941"	631941	"16,17-tetra-dehydro-14,15-dihydro-spiroiridal"	"CC(=CCC\C(=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\COC(=O)C)C"	0	""	""	1	1	"9893161"	NA
"631942"	631942	"(6r,10s,11r)-26.xi.-hydroxy-13.xi.-oxaspiroirid-16-enal"	"CC(=CCC\C(=C\C=C\C(=C\C1C[C@@]2(C(O)O1)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)\C)C"	0	""	""	1	1	"11969877"	NA
"631943"	631943	"(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury"	"COc1cc[c-](cc1)[Hg+2]2S=C3[N-]C=NC4=C3[NH+]2C=N4"	0	""	""	1	1	"16684392"	NA
"631944"	631944	"(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury"	"COC1=CC=[C-](C=C1)[Hg+2]2[N-]3C(=O)C(=CNC3=[O]2)F"	0	""	""	1	1	"498587"	NA
"631945"	631945	"(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury"	"NC1=NC2=C3[NH+](C=N2)[Hg+2](S=C3[N-]1)[c-]4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"3005600"	NA
"631946"	631946	"Anilinocarbamothioylsulfanyl(p-tolyl)mercury"	"CC1=CC=[C-](C=C1)[Hg+2]2[SH-]C(=S2)NNc3ccccc3"	0	""	""	1	1	"3005601"	NA
"631965"	631965	"7-Hydroxy-2-nonyl-4H-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2ccc(O)cc2O1"	0	""	""	1	1	"5375154"	NA
"631973"	631973	"7-(Benzyloxy)-2-nonyl-4H-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2ccc(OCc3ccccc3)cc2O1"	0	""	""	1	1	"365038"	NA
"632000"	632000	"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide"	"NC1=NN(C(=O)C1C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccc3"	0	""	""	1	1	"365042"	NA
"632001"	632001	"N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide"	"Clc1cccc(NC(=O)CCC(=O)C(C#N)c2ccccc2)c1"	0	""	""	1	1	"365043"	NA
"632002"	632002	"3-cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide"	"O=C(NCCCNC(=O)C(=O)C(C#N)c1ccccc1)C(=O)C(C#N)c2ccccc2"	0	""	""	1	1	"365044"	NA
"632010"	632010	"N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide"	"NNC(=O)C(=O)N\N=C(/CCCC(=O)Nc1ccc(Cl)cc1)\CC(=O)c2ccc(F)cc2"	0	""	""	1	1	"6374157"	NA
"632011"	632011	"3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide"	"CCc1ccccc1NC(=O)C(=O)C(C#N)c2ccccc2Cl"	0	""	""	1	1	"365053"	NA
"632012"	632012	"2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide"	"NC(=O)\C(=N/NC(=O)c1cc2ccccc2cc1O)\C3C(=NN(C3=O)c4ccccc4)N"	0	""	""	1	1	"9570015"	NA
"632023"	632023	"1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea"	"COc1ccc(cc1)C(\C(=N\NC(=O)NN)\c2ccc(OC)cc2)C3(O)C(=O)Nc4c(Cl)cc(Cl)cc34"	0	""	""	1	1	"9570017"	NA
"632038"	632038	""	"NNC(=O)C(=O)N\N=C/1\CCCC1C(=O)CCC(=O)Nc2ccc(Cl)cc2"	0	NA	NA	1	1	"495803"	NA
"632108"	632108	""	"COC1=CC23C=CC1[C@H](C2=C(C)C(=O)N3C(=O)NC4CCCCC4)c5ccccc5"	0	NA	NA	1	1	"495806"	NA
"632129"	632129	"(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile"	"Oc1ccc(O)c(\C=C\[N+]#[C-])c1"	0	""	""	3	3	"5388136"	NA
"632131"	632131	""	"CC(CNCCCNCCNCCCNCO)[N+](=O)[O-]"	0	NA	NA	1	1	"495826"	NA
"632134"	632134	"5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one"	"COc1ccc(\C=N\Nc2nc(cs2)c3cc4OC(=O)N(C)c4cc3Cl)cc1OC"	0	""	""	1	1	"9570019"	NA
"632184"	632184	""	"CCCSS[C@H]1NC(=O)[C@H]1NC(=O)COc2ccccc2"	0	NA	NA	1	1	"495843"	NA
"632243"	632243	"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide"	"Cc1cccc(NC(=O)CC2S\C(=N/c3ccc(Cl)cc3C)\NC2=O)c1C"	0	""	""	1	1	"135480970"	NA
"632244"	632244	"STK074931"	"NC1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1"	0	""	""	1	1	"365143"	NA
"632294"	632294	"Methyl 2-morpholino-7-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate"	"COC(=O)C1=CNc2nc(nn2C1=O)N3CCOCC3"	0	""	""	1	1	"365157"	NA
"632479"	632479	"1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane"	"COc1ccc(cc1OC)C2C(C(Cc3ccc(cc3)[N+](=O)[O-])c4cc(OC)c(OC)cc24)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"365186"	NA
"632536"	632536	"piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl- (8ci)"	"CC1(C)CC(CC(C)(C)N1)Nc2ccc(Nc3ccccc3)cc2"	0	""	""	5	2	"365208"	"24459889"
"632543"	632543	""	"[O-][N+](=O)c1oc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1"	0	NA	NA	1	1	"495951"	NA
"632545"	632545	""	"NC12CC3CC(C1)CC(C3)(C2)C(=O)O"	0	NA	NA	1	1	"495953"	NA
"632556"	632556	"trans-bis(ethylenediamine)dichloroosmium(iii)chloride- h..."	"[Cl-].[ClH-][Os+3]12([ClH-])([NH2+]CC[NH2+]1)[NH2+]CC[NH2+]2"	0	NA	NA	3	2	"581260"	NA
"632559"	632559	"cis-dichlorobis(2,4-pentandionato)osmium(vi)"	"[Cl-][Os+4]12([Cl-])([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	1	1	"495958"	NA
"632560"	632560	"trans-dichlorobis(2,4-pentandionato)osmium(vi)"	"[Cl-][Os+4]12([Cl-])([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	1	1	"495959"	NA
"632566"	632566	"Pentaamminenitrogenosmium(II)chloride"	"[Cl-].[NH3+][Os+2]([NH3+])([NH3+])([NH3+])([NH3+])[N+]#N"	0	""	""	1	1	"24202194"	NA
"632567"	632567	"Bis(salicylidene-tert-butylamine)cobalt(II)"	"CC(C)(C)[N+]1=Cc2ccccc2[O-][Co+2]13[O-]c4ccccc4C=[N+]3C(C)(C)C"	0	""	""	1	1	"365225"	NA
"632573"	632573	"tris(1,3-diphenylpropane-1,3-dionata)gallium(iii)"	"C1C(=[O][Ga+3]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O]=C1c8ccccc8)c9ccccc9"	0	""	""	1	1	"11979319"	NA
"632574"	632574	"cis-dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(iv)"	"[Cl-][Sn+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"495967"	NA
"632580"	632580	"Bis-2,4-dimethoxyphenylselenide"	"COc1ccc([Se]c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	"365233"	NA
"632581"	632581	"trisoxinatoindium(iii)"	"[O-]1c2cccc3ccc[n+](c23)[In+3]145([O-]c6cccc7ccc[n+]4c67)[O-]c8cccc9ccc[n+]5c89"	0	NA	NA	1	1	"581269"	NA
"632590"	632590	"18-Crown-6-tantalum(V)pentachloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]6CC[O+]1[Ta+5]23456"	0	""	""	1	1	"54608657"	NA
"632596"	632596	"tetrakis(1-fluoro-4-isocyano)rhodium(i)- tetrafluoroborate"	"Fc1ccc(cc1)[N+]#[C-][Rh+]([C-]#[N+]c2ccc(F)cc2)([C-]#[N+]c3ccc(F)cc3)[C-]#[N+]c4ccc(F)cc4"	0	NA	NA	1	1	"581276"	NA
"632597"	632597	"tetrakis(phenylisonitrile)rhodium(i)chloride"	"c1ccc(cc1)[N+]#[C-][Rh+]([C-]#[N+]c2ccccc2)([C-]#[N+]c3ccccc3)[C-]#[N+]c4ccccc4"	0	NA	NA	1	1	"581277"	NA
"632598"	632598	"15-Crown-5-tris(2,4-pentadionato)vanadium(III)"	"CC1=O[V+3]23(O=C(C)[CH-]C(=O2)C)(O=C(C)[CH-]C(=O3)C)O=C(C)[CH-]1.C4COCCOCCOCCOCCO4"	0	""	""	1	1	"365235"	NA
"632599"	632599	"15-Crown-5-vanadium(III)trichloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]1[V+3]2345"	0	""	""	1	1	"54608066"	NA
"632600"	632600	"18-Crown-6-vanadium(III)trichloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]6CC[O+]1[V+3]23456"	0	""	""	1	1	"54611322"	NA
"632601"	632601	"2,3,6,7-tetramethoxyseleniumanthrene"	"COc1cc2[Se]c3cc(OC)c(OC)cc3[Se]c2cc1OC"	0	""	""	2	1	"365238"	NA
"632602"	632602	"CCRIS 4541"	"COc1ccc([Se]c2ccc(OC)cc2)cc1"	0	""	""	1	1	"155624"	NA
"632603"	632603	"2,2'-dicarboxy-diphenyl-diselenide"	"OC(=O)c1ccccc1[Se][Se]c2ccccc2C(=O)O"	0	""	""	1	1	"23012"	NA
"632604"	632604	"bis-p-tolylediselenide"	"Cc1ccc([Se][Se]c2ccc(C)cc2)cc1"	0	""	""	1	1	"365239"	NA
"632606"	632606	"Bis(2,4-dimethoxyphenyl)diselenide"	"COc1ccc([Se][Se]c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	"365241"	NA
"632608"	632608	"diammine-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane- p..."	"N.[Cl-].C1C[O+]2CC[O+]3CC[NH+]4CC[O+]5CC[O+]6CC[NH+]1[Pt+2]23456"	0	""	""	1	1	"54600828"	NA
"632618"	632618	"3,5-diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-..."	"CCc1cc(CC)[nH]n1.CCc2cc(CC)[n+]([nH]2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3[nH]c(CC)cc3CC"	0	NA	NA	1	1	"495993"	NA
"632620"	632620	"9-methoxy-2-[(benzoyloxy)methyl]-5,11-dimethyl- 6h-pyrid..."	"COc1ccc2[nH]c3c(C)c4cc[n+](COC(=O)c5ccccc5)cc4c(C)c3c2c1"	0	""	""	1	1	"365242"	NA
"632621"	632621	"9-methoxy-2-[(propionyloxy)methyl]-5,11-dimethyl- 6h-pyr..."	"CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	1	1	"365244"	NA
"632623"	632623	"2-[(propionyloxy)methyl]-5,11-dimethyl-6h-pyrido[4,3-b] ..."	"CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	"365248"	NA
"632624"	632624	"6-(5-Hexen-1-yl)-2-methylellipticinium acetate"	"Cc1c2c[n+](C)ccc2c(C)c3c1c4ccccc4n3CCCCC=C"	0	""	""	1	1	"365250"	NA
"632729"	632729	"tris(2,2'-bipyridyle)neodymium(iii)- trithiocyanate"	"[S-]C#N.c1cc[n+]2c(c1)c3cccc[n+]3[Nd+3]245([n+]6ccccc6c7cccc[n+]47)[n+]8ccccc8c9cccc[n+]59"	0	""	""	1	1	"24202206"	NA
"632730"	632730	"Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Nd+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	"24202207"	NA
"632731"	632731	"trans-[aquachlorobis(1,10-phenanthroline) neodymium(iii)..."	"[Cl-].[OH2+][Nd+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	"581293"	NA
"632734"	632734	"Tris(1,10-phenanthroline)cerium(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ce+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	"24202209"	NA
"632735"	632735	"trans-[aquachlorobis(1,10-phenanthroline)cerium(iii) -di..."	"[Cl-].[OH2+][Ce+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	"581297"	NA
"632737"	632737	"Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[La+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	"24202211"	NA
"632738"	632738	"trans-[aquachlorbis(1,10-phenanthroline)lanthanum(iii)] ..."	"[Cl-].[OH2+][La+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	"581300"	NA
"632739"	632739	"chlorotristropolonatosilicon(iv)-hydrate"	"C1=CC=C2C(=[O][Si+4]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	NA	NA	1	1	"496000"	NA
"632740"	632740	"dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic..."	"[Cl-][Si+4]12([Cl-])([O]=C(CC(=[O]1)C(C)(C)C)C(C)(C)C)[O]=C(CC(=[O]2)C(C)(C)C)C(C)(C)C"	0	NA	NA	1	1	"581301"	NA
"632744"	632744	"tetrakisoxinatogermanium(iv)-tetrahydrochloride"	"[Cl-].[O-]1c2cccc3ccc[n+](c23)[Ge+4]1456([O-]c7cccc8ccc[n+]4c78)([O-]c9cccc%10ccc[n+]5c9%10)[O-]c%11cccc%12ccc[n+]6c%11%12"	0	NA	NA	1	1	"581302"	NA
"632745"	632745	"dichlorobistropolonato-germanium(iv)"	"[ClH-][Ge+4]12([ClH-])(O=C3C=CC=CC=C3[O-]1)O=C4C=CC=CC=C4[O-]2"	0	NA	NA	1	1	"496004"	NA
"632790"	632790	"platinum, dichloro(quinoline-n)[sulfinylbis(methane)-s]-..."	"CS(=O)(C)[Pt+2]([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	""	""	5	4	"498592"	NA
"632791"	632791	"platinum, dichloro[(methylsulfinyl)phenyl-s](quinoline-n..."	"CS(=O)(c1ccccc1)[Pt+2]([ClH-])([ClH-])[n+]2cccc3ccccc23"	0	""	""	5	5	"498593"	NA
"632792"	632792	"Ammonia; pentane-1,5-diamine; platinum(2+)"	"[Cl-][Pt+2]([Cl-])(N)NCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	""	""	1	1	"6477757"	NA
"632794"	632794	"Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)"	"[Cl-][Pt+2]([Cl-])(N)NC(C)(C)CCC(C)(C)N[Pt+2]([Cl-])([Cl-])N"	0	""	""	1	1	"6477758"	NA
"632795"	632795	"Ammonia; butane-1,4-diamine; chloroplatinum(1+)"	"[Cl-].[NH3+][Pt+2]([NH3+])([ClH-])[NH2+]CCCC[NH2+][Pt+2]([NH3+])([NH3+])[ClH-]"	0	""	""	1	1	"6477759"	NA
"632804"	632804	"Trichlorooxobisoxinatomolybdenum(VI)"	"[Cl-][Mo+5](=O)([Cl-])([Cl-])([O-]c1cccc2cccnc12)[O-]c3cccc4cccnc34"	0	""	""	1	1	"365257"	NA
"632805"	632805	"dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-o-..."	"[Cl-][Mo+4]12([Cl-][Mo+4]1([Cl-])([Cl-]2)([O-]c3ccc(Cl)c(C)c3)[O-]c4ccc(Cl)c(C)c4)([O-]c5ccc(Cl)c(C)c5)[O-]c6ccc(Cl)c(C)c6"	0	NA	NA	1	1	"496012"	NA
"632814"	632814	"Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate"	"O=C1C2=C(c3ccccc3)[O-][Ni+2]4([O]=C5C(=C(c6ccccc6)[O-]4)C(=O)c7ccccc57)[O]=C2c8ccccc18"	0	""	""	1	1	"6711619"	NA
"632816"	632816	"Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate"	"O=C1C2=C(c3ccccc3)[O-][Mn+2]4([O]=C5C(=C(c6ccccc6)[O-]4)C(=O)c7ccccc57)[O]=C2c8ccccc18"	0	""	""	1	1	"6711620"	NA
"632819"	632819	""	"[ClH-][Pt+2]([ClH-])([n+]1ccccc1)[n+]2ccccc2"	0	NA	NA	2	2	"581316"	NA
"632820"	632820	""	"[ClH-][Pt+2]([ClH-])([n+]1ccccc1)[n+]2ccccc2"	0	NA	NA	1	1	"581317"	NA
"632824"	632824	""	"ONC(C1CCC\C(=C/c2ccc(OCc3ccccc3)cc2)\C\1=N\O)c4ccc(OCc5ccccc5)cc4"	0	NA	NA	1	1	"496026"	NA
"632825"	632825	""	"ONC(C1CCC\C(=C/c2ccc(Oc3ccccc3)cc2)\C\1=N\O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	1	1	"496027"	NA
"632831"	632831	""	"Brc1ccc(\C=C\2/CCC\C(=C/c3ccc(Br)cc3)\C2=O)cc1"	0	NA	NA	1	1	"496033"	NA
"632835"	632835	"Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide"	"C[N+](C)(C)CCC(=O)CC[N+](C)(C)C"	0	""	""	1	1	"365278"	NA
"632838"	632838	""	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	"496040"	NA
"632839"	632839	"4-piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hyd..."	"Cc1ccc(\C=C\2/CNC\C(=C/c3ccc(C)cc3)\C2=O)cc1"	0	""	""	4	3	"5351362"	NA
"632840"	632840	""	"COc1ccc(\C=C\2/CNC\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	NA	NA	1	1	"496042"	NA
"632841"	632841	"4-piperidinone, 1-(1-oxo-2-propenyl)-3,5-bis(phenyl- met..."	"C=CC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	7	5	"5351364"	NA
"632843"	632843	"3-chloro-(2'-methyl-4'-n,n-bis-2'-cyanoethylamino)azoben..."	"Cc1cc(ccc1N=Nc2cccc(Cl)c2)N(CCC#N)CCC#N"	0	""	""	1	1	"365292"	NA
"632848"	632848	"4-bromo-(2'-methyl-4'-n,n-bis-2'-cyanoethylamino) azoben..."	"Cc1cc(ccc1N=Nc2ccc(Br)cc2)N(CCC#N)CCC#N"	0	""	""	2	2	"365297"	NA
"632850"	632850	"2-bromo-4-methyl-(2'-methyl-4'-n,n-bis-cyanoethylamino) ..."	"Cc1ccc(N=Nc2ccc(cc2C)N(CCC#N)CCC#N)c(Br)c1"	0	""	""	1	1	"365299"	NA
"632855"	632855	"9-Chloro-2-methylellipticinium acetate, hydrate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(Cl)ccc4[nH]c13"	0	""	""	7	6	"10383530"	NA
"632862"	632862	"tetrakisoxinatosilicon(iv)tetrahydrochloride"	"[Cl-].[O-](c1cccc2cccnc12)[Si+4]34([O-]c5cccc6cccnc56)([O-]c7cccc8ccc[n+]3c78)[O-]c9cccc%10ccc[n+]4c9%10"	0	NA	NA	3	2	"581319"	NA
"632865"	632865	"dichlorobis(4-n,n-dimethylamine-1-nitrosyl-2-hydroxy-ben..."	"[Cl-][Si+4]12([Cl-])([O]=Nc3ccc(cc3[O-]1)N(C)C)[O]=Nc4ccc(cc4[O-]2)N(C)C"	0	NA	NA	1	1	"496065"	NA
"632876"	632876	"dicarbonyl[1-(4-n,n-dimethylamine-phenylazo)naphthaline-..."	"CN(C)c1ccc(cc1)[N+]2=Nc3c([O-][Ir+]2(C#O)C#O)ccc4ccccc34"	0	""	""	2	1	"6711626"	NA
"632877"	632877	"dicarbonyl[1-(phenylazo)naphthaline-2-olato(o1,n1)]- iri..."	"O#C[Ir+]1([O-]c2ccc3ccccc3c2N=[N+]1c4ccccc4)C#O"	0	""	""	2	2	"6711627"	NA
"632880"	632880	"dicarbonyl(1,3-diphenyl-1,3-propanedionato)iridium(i)"	"O#C[Ir+]1(O=C([CH-]C(=O1)c2ccccc2)c3ccccc3)C#O"	0	""	""	1	1	"6711630"	NA
"632882"	632882	"dicarbonyl[1-(4-cyanaphenyl-nc-azomethyine)- naphthaline..."	"O#C[Ir+]1([O-]c2ccc3ccccc3c2C=[N+]1c4ccc(cc4)C#N)C#O"	0	""	""	1	1	"6711631"	NA
"632907"	632907	"3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone"	"CC1=CC(=O)N(C(=N1)\C=C(/O)\c2ccncc2)c3c(C)cccc3Cl"	0	""	""	1	1	"135510108"	NA
"632913"	632913	"1h,5h-pyrazolo[1,2-a]pyrazolium, 4-(2-bromoethyl)- 2,3,6..."	"BrCC[N+]12CCCN1CCC2"	0	""	""	3	2	"365322"	NA
"632923"	632923	"2h-1,4-benzothiazin-3-one, 2-[2-(3-chlorophenylamino)-2-..."	"Clc1cccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c1"	0	""	""	2	1	"365332"	NA
"632932"	632932	""	"NNC(=O)\C(=C\c1cccc(c1)[N+](=O)[O-])\NC(=O)c2ccccc2"	0	NA	NA	1	1	"496109"	NA
"632933"	632933	""	"NNC(=O)\C(=C\c1ccc(Cl)cc1Cl)\NC(=O)c2ccccc2"	0	NA	NA	1	1	"496110"	NA
"632938"	632938	"1,4-cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, di..."	"COC(=O)C1=C(O)C(=C(C1)C(=O)OC)O"	0	NA	NA	1	1	"496115"	NA
"632953"	632953	""	"O=C(NCc1ccccc1)C2C(=O)N(Cc3ccccc3)C(=O)C2=O"	0	NA	NA	1	1	"496130"	NA
"632955"	632955	"N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"CCc1cccc(C(C)C)c1NC(=O)CC2Sc3ccccc3NC2=O"	0	""	""	1	1	"365369"	NA
"632959"	632959	"N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"CCC(C)c1cccc(CC)c1NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O"	0	""	""	1	1	"365373"	NA
"632990"	632990	"abrin a"	NA	0	NA	NA	2	1	"496145"	NA
"632996"	632996	"2AcNHPh-S-Ph"	"CC(=O)Nc1ccccc1Sc2ccccc2"	0	""	""	1	1	"365383"	NA
"633000"	633000	"2AcNHPh-SO-Ph"	"CC(=O)Nc1ccccc1S(=O)c2ccccc2"	0	""	""	1	1	"365387"	NA
"633001"	633001	"benzene, 1,1'-sulfonylbis(2-nitro-"	"[O-][N+](=O)c1ccccc1S(=O)(=O)c2ccccc2[N+](=O)[O-]"	0	""	""	4	1	"365388"	NA
"633003"	633003	"Acetamide, N-[2-(phenylsulfonyl)phenyl]-"	"CC(=O)Nc1ccccc1S(=O)(=O)c2ccccc2"	0	""	""	1	1	"365390"	NA
"633016"	633016	"9-(4-sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(cc4)S(=O)(=O)N)c5ccccc5nc23)cc1"	0	""	""	1	1	"365396"	NA
"633017"	633017	"9-[4-(carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(cc4)S(=O)(=O)NC(=N)N)c5ccccc5nc23)cc1"	0	""	""	1	1	"365397"	NA
"633021"	633021	"1-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(cc5)S(=O)(=O)Nc6nc(C)cc(C)n6)c7ccccc7nc34)cc2)n1"	0	""	""	1	1	"365401"	NA
"633032"	633032	"N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(cc5)S(=O)(=O)N)c6ccccc6nc34)cc2)n1"	0	""	""	2	2	"365412"	NA
"633033"	633033	"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(cc5)S(=O)(=O)NC(=N)N)c6ccccc6nc34)cc2)n1"	0	""	""	1	1	"365413"	NA
"633041"	633041	"1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(cc5)S(=O)(=O)NC(=N)N)c6ccccc6nc34)cc2)n1"	0	""	""	1	1	"365421"	NA
"633061"	633061	""	"CCCCCCCC(=O)OCC1OC(C(NC(=O)OCc2ccccc2)C(O)C1O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	1	1	"496204"	NA
"633065"	633065	"[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxan-2-yl]methyl dodecanoate"	"CCCCCCCCCCCC(=O)OCC1OC(C(N)C(OC(=O)CCCCCCCCCCC)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"365440"	NA
"633067"	633067	""	"CCCCCCCC(=O)OCC1OC(C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCC)C1O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	1	1	"496210"	NA
"633091"	633091	"6-o[n-(3'-chloro-7'-methoxyacridyl-9')-.beta.-alanyl]-mu..."	"COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(O[C@H](C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)OCc4ccccc4)C(NC(=O)C)C=O)c2c1"	0	NA	NA	1	1	"496232"	NA
"633093"	633093	"6-o[n-1'-nitroacridyl-9')-.beta.-alanyl]muramyl dipeptide"	"CC(NC(=O)[C@@H](C)OC(C(O)C(O)COC(=O)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(NC(=O)C)C=O)C(=O)NC(CCC(=O)N)C(=O)OCc4ccccc4"	0	NA	NA	1	1	"496234"	NA
"633094"	633094	"8-(3-amino-p-toluamido)-1,3,5-napthalene-trisulfonic aci..."	"Cc1ccc(cc1N)C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	"496235"	NA
"633100"	633100	""	"CN1N=C(C(=C(N2CCOCC2)C1=O)C(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	NA	NA	1	1	"496241"	NA
"633104"	633104	"pyridazin-3(2h)-one, 5-[3-(4-chlorophenyl)-1-oxo-2-prope..."	"CN1N=C(C(=C(N2CCCC2)C1=O)C(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	"6380585"	NA
"633106"	633106	""	"CN1N=C(C(=C(N2CCCCC2)C1=O)C(=O)\C=C\c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"496247"	NA
"633109"	633109	""	"CN1N=C(C(=C(N2CCCCC2)C1=O)C(=O)\C=C\c3ccc(F)cc3)c4ccccc4"	0	NA	NA	1	1	"496250"	NA
"633112"	633112	"3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one"	"CN1N=C(c2ccccc2)c3c(onc3C1=O)\C=C\c4ccc(F)cc4"	0	""	""	1	1	"6306698"	NA
"633113"	633113	"[1,2,3,4]tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit..."	"CCN1C(=S)N(CC)C2=C1SSSSC3=C2N(CC)C(=S)N3CC"	0	""	""	4	3	"365480"	NA
"633116"	633116	"2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine"	"CCc1cc2c(Nc3ccccc3)c4CCCCc4nc2s1"	0	""	""	1	1	"365483"	NA
"633118"	633118	"N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline"	"CC1CN(CC(C)O1)C2=N\C(=N/c3ccc(C)cc3)\c4ccccc24"	0	""	""	1	1	"365485"	NA
"633190"	633190	"5-(1H-benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one"	"O=C1SC(=C(\N=C\c2ccccc2)N1c3ccccc3)c4nc5ccccc5[nH]4"	0	""	""	1	1	"9555816"	NA
"633194"	633194	"2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one"	"O=C1CSC(=N1)Cc2nc3ccccc3[nH]2"	0	""	""	2	1	"365514"	NA
"633203"	633203	"LS-150387"	"COc1cc(cc(OC)c1OC)C2=NN3C(=O)N(C(=O)N=C3S2)c4ccc(Cl)cc4"	0	""	""	3	2	"365515"	NA
"633207"	633207	"5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline"	"CN1C2C(N(C)c3ccccc3N2C)N(C)c4ccccc14"	0	""	""	1	1	"365519"	NA
"633209"	633209	"imidazo[2,1-b]thiazole-5-carboxamide, n-[(4-chlorophenyl..."	"Clc1ccc(NC(=O)NC(=O)c2c(Cl)nc3sccn23)cc1"	0	""	""	6	2	"365521"	NA
"633234"	633234	"8-[3-(m-aminobenzamido)-4-methylbenzamido]-1,3,5- naphth..."	"Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	"496315"	NA
"633242"	633242	"methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-"	"Fc1ccc(cc1)C(=O)c2cccc(n2)C(=O)c3ccc(F)cc3"	0	""	""	5	1	"365542"	NA
"633248"	633248	"3,3'-(6,6'-(4,4'-thiobis(4,1-phenylene))bis(1,3-dioxo-4,..."	"O=C1N(C(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccc(Sc6ccc(cc6)c7c(c8ccccc8)c9C(=O)N(C(=O)c9c(c%10ccccc%10)c7c%11ccccc%11)c%12cccc(c%12)C#N)cc5)c2c%13ccccc%13)c%14cccc(c%14)C#N"	0	""	""	1	1	"16129764"	NA
"633251"	633251	"6,6'-(4,4'-methylenebis(4,1-phenylene))bis(2-(3-ethynylp..."	"O=C1N(C(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccc(Cc6ccc(cc6)c7c(c8ccccc8)c9C(=O)N(C(=O)c9c(c%10ccccc%10)c7c%11ccccc%11)c%12cccc(c%12)C#C)cc5)c2c%13ccccc%13)c%14cccc(c%14)C#C"	0	""	""	1	1	"16129766"	NA
"633253"	633253	"4,8-ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2h,6h)- t..."	"O=C1C2C3C=CC(C4C3C(=O)N(C4=O)c5cccc(c5)C#C)C2C(=O)N1c6cccc(c6)C#C"	0	""	""	5	3	"365547"	NA
"633258"	633258	"4,8-ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7-tetrone, ..."	"O=C1C2C3C=CC(C4C3C(=O)N(C4=O)c5cccc(c5)C#N)C2C(=O)N1c6cccc(c6)C#N"	0	""	""	5	2	"365552"	NA
"633266"	633266	""	"C\C(=N/NS(=O)(=O)c1c(C)cc(C)cc1C)\c2ccc[n+]([O-])n2"	0	NA	NA	1	1	"496339"	NA
"633267"	633267	""	"C\C(=N/NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])\c2ccc[n+]([O-])n2"	0	NA	NA	2	1	"496340"	NA
"633268"	633268	"Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccnn3"	0	""	""	1	1	"9578851"	NA
"633270"	633270	"Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccc(C)nn3"	0	""	""	1	1	"9578853"	NA
"633271"	633271	"Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccc(C)nn3"	0	""	""	1	1	"9578854"	NA
"633272"	633272	"Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	""	""	1	1	"15954130"	NA
"633273"	633273	"antineoplastic-633273"	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	""	""	3	3	"15954131"	NA
"633274"	633274	"Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	2	2	"9578857"	NA
"633275"	633275	"copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1..."	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	3	2	"9578858"	NA
"633276"	633276	"[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron"	"[Fe+].S=C(N\N=C\c1cccnn1)N2CC3CCC(CC3)C2"	0	""	""	1	1	"9578859"	NA
"633320"	633320	"2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione"	"O=C1C=CC(=O)c2nc3CCCc3cc12"	0	""	""	1	1	"365559"	NA
"633321"	633321	"7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid"	"COc1ccc2C(C3OCCN3C(=O)c2c1)C(=O)O"	0	""	""	1	1	"365560"	NA
"633362"	633362	"1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	"OCC(O)C(O)C(O)c1nn(c2ccc(Cl)cc2)c3nc4cc(Cl)c(Cl)cc4nc13"	0	""	""	1	1	"365567"	NA
"633364"	633364	"1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	"OCC(O)C(O)C(O)c1nn(c2ccc(F)cc2)c3nc4cc(Cl)c(Cl)cc4nc13"	0	""	""	1	1	"365569"	NA
"633369"	633369	"1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline"	"o1c(nnc1c2nn(c3ccccc3)c4nc5ccccc5nc24)c6ccccc6"	0	""	""	1	1	"365574"	NA
"633370"	633370	"3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline"	"Cc1ccc(cc1)c2oc(nn2)c3nn(c4ccccc4)c5nc6ccccc6nc35"	0	""	""	1	1	"365575"	NA
"633392"	633392	""	"NC(=C(C#N)C#N)\C(=C/c1ccnc2ccccc12)\C#N"	0	NA	NA	1	1	"496418"	NA
"633395"	633395	"LS-133590"	"O=C(CN(Cc1ccccc1)Cc2ccccc2)N3CCc4c([nH]c5ccccc45)C3c6cccnc6"	0	""	""	1	1	"365594"	NA
"633397"	633397	"LS-133733"	"O=C(CN1CCN(CC1)c2ccccc2)N3CCc4c([nH]c5ccccc45)C3c6cccnc6"	0	""	""	2	1	"365596"	NA
"633398"	633398	"LS-133613"	"Clc1cccc(c1)N2CCN(CC(=O)N3CCc4c([nH]c5ccccc45)C3c6cccnc6)CC2"	0	""	""	1	1	"365597"	NA
"633402"	633402	"2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"C(CN1CCc2c([nH]c3ccccc23)C1c4cccnc4)N5CCN(CC5)c6ccccc6"	0	""	""	1	1	"365601"	NA
"633404"	633404	"LS-133633"	"CN(C)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c4cccnc4"	0	""	""	1	1	"365603"	NA
"633408"	633408	"LS-133615"	"Clc1cccc(c1)N2CCN(CCC(=O)N3CCc4c([nH]c5ccccc45)C3c6cccnc6)CC2"	0	""	""	2	1	"365607"	NA
"633483"	633483	"(E)-1-[2-(1H-indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one"	"O=C(N1C(Cc2ccccc12)c3c[nH]c4ccccc34)\C(=C\c5ccccc5)\c6ccccc6"	0	""	""	1	1	"5388203"	NA
"633484"	633484	"(E)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one"	"C\C=C(/C)\C(=O)N1C(Cc2ccccc12)c3c(C)[nH]c4ccccc34"	0	""	""	1	1	"5388204"	NA
"633495"	633495	"2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccnc2O1"	0	""	""	1	1	"16683162"	NA
"633497"	633497	"2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine"	"CCCC[Sn]1(CCCC)OCc2nc(C)ccc2O1"	0	""	""	1	1	"16683164"	NA
"633498"	633498	"2,2-Dibutyl-1,3,4,2-benzodioxazastannepine"	"CCCC[Sn]1(CCCC)ON=Cc2ccccc2O1"	0	""	""	1	1	"16683165"	NA
"633500"	633500	"2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine"	"CCCC[Sn]1(CCCC)ON=C(C(O1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"16683569"	NA
"633501"	633501	"2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide"	"CCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1"	0	""	""	1	1	"16683167"	NA
"633502"	633502	"2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccnc2S1"	0	""	""	1	1	"16683168"	NA
"633505"	633505	"2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1"	0	""	""	1	1	"16683171"	NA
"633507"	633507	"2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"O=C1CN2CCN3CC(=O)[O-][Sn+4]23([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]1"	0	""	""	1	1	"16683173"	NA
"633508"	633508	"2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(C)O1"	0	""	""	1	1	"16683570"	NA
"633509"	633509	"4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(Cc2ccccc2)O1"	0	""	""	1	1	"16683174"	NA
"633510"	633510	"1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine"	"CCCC[Sn]1(CCCC)OCC(CN2CCCCC2)O1"	0	""	""	1	1	"16683175"	NA
"633511"	633511	"4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine"	"CCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1"	0	""	""	1	1	"16683176"	NA
"633512"	633512	"N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine"	"CCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1"	0	""	""	1	1	"16683177"	NA
"633514"	633514	"[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate"	"CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN"	0	""	""	1	1	"16683179"	NA
"633515"	633515	"[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate"	"CCCC[Sn](CCCC)(OC(=O)C(N)CSC)OC(=O)C(N)CSC"	0	""	""	2	1	"16683180"	NA
"633516"	633516	"[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2"	0	""	""	1	1	"16683181"	NA
"633527"	633527	"LS-133802"	"Cn1c2C(=O)N(CCCN3CCN(CC3)c4cccc(Cl)c4)CCc2c5ccccc15"	0	""	""	1	1	"365674"	NA
"633530"	633530	"1h-pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-..."	"Cn1c2C(=O)N(CCCCN3CCN(CC3)c4ccccc4)CCc2c5ccccc15"	0	""	""	4	2	"365677"	NA
"633531"	633531	"LS-133803"	"Cn1c2C(=O)N(CCCCN3CCN(CC3)c4cccc(Cl)c4)CCc2c5ccccc15"	0	""	""	1	1	"365678"	NA
"633543"	633543	""	"[O-][N+](=O)c1ccc(cc1)C2N3CCCCC3[C@H]4N2CCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	"496513"	NA
"633544"	633544	""	"CCN(CC)c1ccc(cc1)C2N3CCCCC3[C@H]4N2CCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	"496514"	NA
"633551"	633551	"1-(9-methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone"	"COc1ccc2Cn3c(CCc2c1)c(C(=O)C)c4ccccc34"	0	""	""	1	1	"365697"	NA
"633552"	633552	"Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(C3C(CC(C)(C)C=C3SC)S1)N(Cc4ccccc4)CCN2Cc5ccccc5"	0	""	""	1	1	"365698"	NA
"633555"	633555	"Acylfulvene"	"CC1=CC2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	""	""	5	1	"365701"	NA
"633558"	633558	"(1,4,7,10,13,16-hexathiocyclooctadecaneplatinum(ii)bis-(..."	"C1C[S+]2CC[S+]3CC[S+]4CC[S+]5CC[S+]6CC[S+]1[Pt+2]23456.c7cc[c-](cc7)[B+3]([c-]8ccccc8)([c-]9ccccc9)[c-]%10ccccc%10"	0	NA	NA	3	2	"581354"	NA
"633559"	633559	"dichloro(1,7,10,16-tetraoxa-4,13-diazoniacyclooctadecane..."	"[Cl-].[Cl-].C1C[O+]2CC[O+]3CC[NH+]4CC[O+]5CC[O+]6CC[NH+]1[Pt+2]23456"	0	""	""	1	1	"54608807"	NA
"633561"	633561	"tris(2-methylchinoline-8-olato)indium(iii)"	"Cc1ccc2cccc3[O-][In+3]45([O-]c6cccc7ccc(C)[n+]4c67)([O-]c8cccc9ccc(C)[n+]5c89)[n+]1c23"	0	NA	NA	1	1	"581357"	NA
"633562"	633562	"tris(5,7-dibrominechinoline-8-olato)indium(iii)"	"Brc1cc(Br)c2ccc[n+]3c2c1[O-][In+3]345([O-]c6c(Br)cc(Br)c7ccc[n+]4c67)[O-]c8c(Br)cc(Br)c9ccc[n+]5c89"	0	NA	NA	1	1	"581358"	NA
"633605"	633605	"trans-1,2-bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl)..."	"CC(C)CS(=O)(=O)\C(=C(/c1ccc(Br)cc1)\S(=O)(=O)CC(C)C)\c2ccc(Br)cc2"	0	NA	NA	1	1	"496529"	NA
"633654"	633654	"immune factor extract from dba/2 light grey mouse"	NA	0	NA	NA	1	1	"496553"	NA
"633656"	633656	"D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2"	"CC(C)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CS)NC(=O)C(N)Cc4ccc5ccccc5c4)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N"	0	""	""	2	1	"365716"	NA
"633657"	633657	"D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2"	"CC(O)C(NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CS)NC(=O)C(N)Cc4ccccc4)C(=O)N"	0	""	""	2	1	"365717"	NA
"633659"	633659	"D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe"	"COC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc4c(F)c(F)c(F)c(F)c4F)C(C)C"	0	""	""	2	1	"365719"	NA
"633663"	633663	"d-phe-glu-trp-ala-val-gly-his-leu-.psi.ch2nh-cpa-nh2"	"CC(C)CC(CNC(Cc1ccc(Cl)cc1)C(=O)N)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc5ccccc5)C(C)C"	0	""	""	1	1	"365722"	NA
"633670"	633670	"1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole"	"C1CCCc2cc(c(cc2CC1)n3nnc4CCCCCCc34)n5nnc6CCCCCCc56"	0	""	""	1	1	"365729"	NA
"633685"	633685	"9-n-(n'-chloroethyl-n'-1,6-diaminohexyl) 2-methoxyacridi..."	"COc1ccc2nc3ccccc3c(NCCCCCCN(C)CCCl)c2c1"	0	""	""	1	1	"365734"	NA
"633713"	633713	"l-ornithine, n.alpha.-[4-[[(2,4-diamino-6-pteridinyl)met..."	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	5	2	"360682"	"113857877"
"633781"	633781	"Lovastatin"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	"FDA approved"	1	1	"-1"	"75330755"
"633782"	633782	"Simvastatin"	"CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	"AM|NonCan:Chol"	"FDA approved"	1	1	"-1"	"79902639"
"633784"	633784	"1,4-Bis(fluoromethanesulfonyloxy)-butane"	"FCS(=O)(=O)OCCCCOS(=O)(=O)CF"	0	""	""	1	1	"365755"	NA
"633785"	633785	"4-hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro [..."	"CN1c2ccccc2C(=O)c3c(O)c4C(=C)C(C)(C)Oc4cc13"	0	""	""	1	1	"5388212"	NA
"633787"	633787	"Ethyl 1-methyl-2-oxo-4-(prop-2-yn-1-yloxy)-1,2-dihydroquinoline-3-carboxylate"	"CCOC(=O)C1=C(OCC#C)c2ccccc2N(C)C1=O"	0	""	""	1	1	"365758"	NA
"633788"	633788	"Almeine"	"CN1C(=O)C2=C(OC(C2)C(=C)C)c3ccccc13"	0	""	""	1	1	"183727"	NA
"633907"	633907	"4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5)C)C(=O)Nc6ccccc6)C(=O)Nc7ccccc7"	0	""	""	3	1	"365832"	NA
"633909"	633909	"4-[4-[3,5-Bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2C)c3ccc(cc3)C4C(=CNC=C4C(=O)Nc5ccccc5C)C(=O)Nc6ccccc6C)C(=O)Nc7ccccc7C"	0	""	""	2	1	"365834"	NA
"633911"	633911	"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)NCc2ccccc2)c3ccccc3C)C(=O)NCc4ccccc4"	0	""	""	2	1	"365836"	NA
"633912"	633912	"4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2C)c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5C)C)C(=O)Nc6ccccc6C)C(=O)Nc7ccccc7C"	0	""	""	3	1	"365837"	NA
"633915"	633915	"4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone"	"ClC1=C(Cl)C(=O)N(CCc2ccncc2)N=C1"	0	""	""	1	1	"365840"	NA
"633918"	633918	"4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone"	"CC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	1	1	"365844"	NA
"633919"	633919	"4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5OC)C)C(=O)Nc6ccccc6OC)C(=O)Nc7ccccc7OC)C"	0	""	""	2	1	"365845"	NA
"633923"	633923	"2-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione"	"C\C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\CCN2NC(=O)C=CC2=O"	0	""	""	1	1	"9570027"	NA
"633925"	633925	"(6Z)-6-[(2-nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one"	"[O-][N+](=O)c1ccccc1\C=C\2/Sc3nnc(c4cccnc4)n3C2=O"	0	""	""	1	1	"5388226"	NA
"633942"	633942	""	"[O-][N+](=O)c1cccc(\C=C\2/Sc3nc4ccccc4n3C2=O)c1"	0	NA	NA	1	1	"496706"	NA
"633956"	633956	"EN300-06462"	"CCOC(=O)CC1=Nc2ccccc2SC1"	0	""	""	1	1	"365879"	NA
"633963"	633963	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	"496726"	NA
"633964"	633964	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	"496727"	NA
"633975"	633975	"1-(p-methylanilinomalonyl)-3-(n-meta toluidino-n-.beta.-..."	"Cc1ccc(NC(=O)CC(=O)N2N=C(CC2c3ccccc3)N(CCC#N)c4cccc(C)c4)cc1"	0	""	""	1	1	"365894"	NA
"634035"	634035	"4-amino-3-iodo-1-(.beta.-d-ribofuranosyl)pyrrolo[2,3-d] ..."	"NC1=NNC(=O)c2c1c(I)cn2C3OC(CO)C(O)C3O"	0	""	""	1	1	"365913"	NA
"634036"	634036	"4-amino-3-bromo-1-(.beta.-d-ribofuranosyl)pyrrolo[2,3-d]..."	"NC1=NNC(=O)c2c1c(Br)cn2C3OC(CO)C(O)C3O"	0	""	""	2	2	"365914"	NA
"634037"	634037	"4-amino-3-bromo-1-(.beta.-d-ribofuranosyl)pyrrolo[2,3-d]..."	"Nc1nncc2c1c(Br)cn2C3OC(CO)C(O)C3O"	0	""	""	2	2	"365915"	NA
"634040"	634040	""	"CC1CCC2[C@@H](C)COC3O[C@]4(C)CCC1C23OO4"	0	NA	NA	1	1	"496772"	NA
"634047"	634047	"di(cis-diammine)bis(.alpha.,.alpha.'-diethyl-4,4'-stilbe..."	"CC\C(=C(\CC)/c1ccc(OP2(=O)[O-][Pt+2](N)(N)[O-]2)cc1)\c3ccc(OP4(=O)[O-][Pt+2](N)(N)[O-]4)cc3"	0	""	""	1	1	"54608093"	NA
"634049"	634049	"cis-dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd..."	"[Cl-][Mo+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"496778"	NA
"634050"	634050	"cis-dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]..."	"[Cl-][Mo+4]12([Cl-])([O]=C(C)CC(=[O]1)c3ccc(Cl)cc3)[O]=C(C)CC(=[O]2)c4ccc(Cl)cc4"	0	NA	NA	1	1	"581411"	NA
"634174"	634174	"3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone"	"CC(C)(C)C(=O)C(c1ccc(cc1)c2cscn2)c3ccc(cc3)c4cscn4"	0	""	""	2	2	"366001"	NA
"634182"	634182	"2,5-pyrrolidinedione, 1-(3-ethynylphenyl)-"	"O=C1CCC(=O)N1c2cccc(c2)C#C"	0	""	""	3	2	"366009"	NA
"634184"	634184	"2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile"	"Clc1ccc(cc1)C(C#N)c2cccc(n2)C(C#N)c3ccc(Cl)cc3"	0	""	""	1	1	"366011"	NA
"634186"	634186	"1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone"	"O=C1CCCN1C2(Cc3ccccc3)OC(=O)C2c4ccccc4"	0	""	""	1	1	"366013"	NA
"634220"	634220	"n-propylpropaneciamine nitric oxide adduct"	"CCCN(CCCN)[N+](=NO)[O-]"	0	NA	NA	1	1	"496913"	NA
"634224"	634224	"1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-"	"OC1=C(C(=O)c2ccccc12)c3cnc4ccccc4n3"	0	""	""	4	2	"366050"	NA
"634285"	634285	"(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane"	"CCCC[Sn](CCCC)(CCCC)\C(=C\[Si](C)(C)c1ccccc1)\c2ccc3OCOc3c2"	0	""	""	1	1	"5388266"	NA
"634353"	634353	"5,6-diazaspiro[2,4]hept-4-ene-1,1-dicarbonitrile, 4-meth..."	"CC1=NN(C(=O)C12[C@H](c3ccccc3)C2(C#N)C#N)c4ccccc4"	0	NA	NA	2	2	"496965"	NA
"634365"	634365	"tris(5-nitrotropolonato)bismuth(iii)"	"[O-][N+](=O)C1=CC=C2[O-][Bi+3]34(O=C5C=CC(=CC=C5[O-]3)[N+](=O)[O-])(O=C6C=CC(=CC=C6[O-]4)[N+](=O)[O-])O=C2C=C1"	0	NA	NA	1	1	"581427"	NA
"634368"	634368	"chlorobis(4-ethyltropolonato)bismuth(iii)"	"[Cl-][Bi+3]12([O]=C3C=CC=C(CC)C=C3[O-]1)[O]=C4C=CC=C(CC)C=C4[O-]2"	0	NA	NA	2	1	"496969"	NA
"634371"	634371	"tris(phenylazotropolonato)bismuth(iii)"	"C1=C(C=CC2=[O][Bi+3]34([O]=C5C=CC(=CC=C5[O-]3)\N=N\c6ccccc6)([O]=C7C=CC(=CC=C7[O-]4)\N=N\c8ccccc8)[O-]C2=C1)\N=N\c9ccccc9"	0	NA	NA	1	1	"496972"	NA
"634372"	634372	"chlorobis(4-isopropyltropolonato)bismuth(iii)"	"[Cl-][Bi+3]12([O]=C3C=CC=C(C=C3[O-]1)C(C)C)[O]=C4C=CC=C(C=C4[O-]2)C(C)C"	0	NA	NA	3	2	"496973"	NA
"634373"	634373	"[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol"	"NC1NC=NC2C1N=CN2C3OC(CO)C4O[Sn]OC34"	0	""	""	1	1	"16683571"	NA
"634374"	634374	"Tin monocatecholate"	"O1[Sn]Oc2ccccc12"	0	""	""	1	1	"16685274"	NA
"634375"	634375	"5-Nitro-1,3,2lambda2-benzodioxastannole"	"[O-][N+](=O)c1ccc2O[Sn]Oc2c1"	0	""	""	1	1	"16684872"	NA
"634396"	634396	"2h-1,4-benzothiazin-3(4h)-one, 2-[2-[(3-chloro-2-methylp..."	"Cc1c(Cl)cccc1NC(=O)CC2Sc3ccccc3NC2=O"	0	NA	NA	7	3	"496984"	NA
"634398"	634398	""	"Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1"	0	NA	NA	4	2	"496986"	NA
"634399"	634399	"N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c(C)c1"	0	""	""	2	1	"366112"	NA
"634405"	634405	"N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1"	0	""	""	1	1	"366118"	NA
"634412"	634412	"2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide"	"CCOc1ccc(NC(=O)CC2SC(=NC2=O)Nc3ccc(C)cc3C)cc1"	0	""	""	1	1	"135452644"	NA
"634414"	634414	"N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Clc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1"	0	""	""	1	1	"366127"	NA
"634415"	634415	"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide"	"CC(C)c1cccc(C)c1NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O"	0	""	""	2	2	"366128"	NA
"634416"	634416	"2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide"	"Cc1cc(Cl)ccc1NC(=O)CC2SC(=NC2=O)NC(=O)c3ccccc3Cl"	0	""	""	1	1	"135466829"	NA
"634458"	634458	"myristoyl hydroxamate"	"CCCCCCCCCCCCCC(=O)NO"	0	""	""	4	4	"366134"	NA
"634471"	634471	"NCIMech_000253"	"CCOC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	2	1	"366144"	NA
"634472"	634472	"Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate"	"COC(=O)C(=O)CC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	3	2	"366145"	NA
"634479"	634479	"STL455155"	"Oc1ccccc1\C=C\2/Sc3nc4ccccc4n3C2=O"	0	""	""	1	1	"683298"	NA
"634481"	634481	"(E,4E)-4-(aminocarbamothioylhydrazono)-2,3-dichloro-but-2-enoic acid"	"NNC(=S)N\N=C\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	1	1	"6065255"	NA
"634492"	634492	"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc(Cl)c(Cl)c3)C(=O)Nc4ccccc4"	0	""	""	1	1	"366165"	NA
"634494"	634494	"(E)-4-(2-carbamoylhydrazino)-2,3-dichloro-but-2-enoic acid"	"NC(=O)NNC\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	2	1	"3004169"	NA
"634502"	634502	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide"	"Cc1cccc(C)c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	3	3	"366175"	NA
"634503"	634503	"acetamide, .alpha.-(2-chloro-1,4-dihydro- 1,4-dioxonapht..."	"CCc1cccc(CC)c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	3	3	"366176"	NA
"634515"	634515	"1-(3-bromo-4-methoxybenzyl)-3,4-dihydro-6,7- dimethoxyis..."	"COc1ccc(CC2=NCCc3cc(OC)c(OC)cc23)cc1Br"	0	""	""	1	1	"366188"	NA
"634568"	634568	"naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone..."	"CN1C(=O)N(C)c2c(nc3sc4C(=O)c5ccccc5C(=O)c4n23)C1=O"	0	""	""	4	2	"366232"	NA
"634570"	634570	"2-(2-Mercaptoanilino)benzonitrile"	"Sc1ccccc1Nc2ccccc2C#N"	0	""	""	1	1	"366234"	NA
"634605"	634605	"Tris(tropolonato)lanthane(III)"	"C1=CC=C2C(=[O][La+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	"366257"	NA
"634607"	634607	"Tris(tropolonato)europium(III)"	"C1=CC=C2C(=[O][Eu+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	"366259"	NA
"634608"	634608	"Tris(tropolonato)dysprosium(III)"	"C1=CC=C2C(=[O][Dy+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	"366260"	NA
"634609"	634609	"Tris(tropolonato)cerium(III)"	"C1=CC=C2C(=[O][Ce+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	"366261"	NA
"634610"	634610	"Tris(tropolonato)samarium(III)"	"C1=CC=C2C(=[O][Sm+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	"366262"	NA
"634621"	634621	""	"CCN(CC)C1=C(C(=O)\C=C\c2ccccc2)C(=NN(C)C1=O)c3ccccc3"	0	NA	NA	1	1	"497150"	NA
"634622"	634622	""	"CCN(CC)C1=C(C(=O)\C=C\c2ccc(OC)cc2)C(=NN(C)C1=O)c3ccccc3"	0	NA	NA	1	1	"497151"	NA
"634641"	634641	"2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione"	"FC(F)(F)c1ccccc1N2C(=O)C3Nc4ccccc4SC3C2=O"	0	""	""	1	1	"366290"	NA
"634643"	634643	"2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide"	"NC(=O)C(=O)N1N=CC(=C(Cl)C1=O)Cl"	0	""	""	3	2	"366292"	NA
"634647"	634647	"2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide"	"COc1ccccc1NC(=O)\C(=C\c2ccccc2)\C(=O)C"	0	""	""	1	1	"5388297"	NA
"634660"	634660	"Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate"	"CCC(C)c1cccc(CC)c1NC(=O)C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)OC"	0	""	""	1	1	"366310"	NA
"634663"	634663	"[(E)-1-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea"	"COc1ccc2c(c1)[n+]([O-])c(\C(=N\NC(=S)N)\C)c(C)[n+]2[O-]"	0	""	""	2	1	"135476760"	NA
"634667"	634667	"3-[(6Z)-6-[(2,4-Dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide"	"Clc1ccc(\C=C\2/Sc3nnc(CCC(=O)Nc4cc(Cl)c(Cl)cc4Cl)n3C2=O)c(Cl)c1"	0	""	""	2	1	"5388306"	NA
"634698"	634698	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	"497211"	NA
"634699"	634699	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	"497212"	NA
"634724"	634724	"10,11-methylenedioxycamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	"TOP1"	""	4	3	"72403"	"104155897"
"634739"	634739	"(+-)-endo-7-ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-..."	"CC[C@@H]1OC2(C)CC(CC1O2)S(=O)(=O)c3ccccc3"	0	""	""	1	1	"366363"	NA
"634740"	634740	"(+-)-endo-7-ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-..."	"CC[C@@H]1OC2(C)CC(CC1O2)S(=O)(=O)c3ccccc3O"	0	NA	NA	1	1	"497241"	NA
"634742"	634742	"2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione"	"O=C1N(CCN2C(=O)c3ccccc3C2=O)N=C(C=C1c4ccccc4)c5ccccc5"	0	""	""	1	1	"366366"	NA
"634761"	634761	"cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)..."	"CC#[N+][Os+2]([BrH3-])([BrH3-])(C#O)(P(c1ccccc1)(c2ccccc2)c3ccccc3)P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"498712"	NA
"634763"	634763	""	"CN(N=O)C(=O)N(N)CCCCC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	1	1	"497262"	NA
"634766"	634766	""	"O=C(NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NCC#C"	0	NA	NA	2	1	"497265"	NA
"634770"	634770	"l-lysine, n-[(2-propynylamino)carbonyl]-n'-[(phenyl- met..."	"O=C(NCC#C)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	4	3	"497269"	NA
"634773"	634773	"1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione"	"C=CCN(N=O)C(=O)ON1C(=O)CCC1=O"	0	""	""	1	1	"366404"	NA
"634779"	634779	"3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one"	"CC(CC1CC(=C)C(=O)O1)C(=O)CC2CC(=C)C(=O)O2"	0	""	""	1	1	"366410"	NA
"634781"	634781	""	"ONC(C1CCC\C(=C/c2ccccc2)\C\1=N\O)c3ccccc3"	0	NA	NA	1	1	"497280"	NA
"634783"	634783	""	"NC(=S)N\N=C/1\C(\CCCC1)=C\c2ccccc2"	0	NA	NA	1	1	"497282"	NA
"634784"	634784	"4-piperidinone, 1-[3-(dimethylamino)-1-oxopropyl]-3,5- b..."	"CN(C)CCC(=O)N1C\C(=C\c2ccccc2)\C(=O)\C(=C/c3ccccc3)\C1"	0	NA	NA	4	4	"497283"	NA
"634785"	634785	"4-piperidinone, 1-[3-(diethylamino)-1-oxopropyl]-3,5-bis..."	"CCN(CC)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	3	3	"497284"	NA
"634786"	634786	"4-piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1- piperi..."	"O=C(CCN1CCCCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	2	"497285"	NA
"634791"	634791	"(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"CCN(CC)c1ccc(\C=C/2\C[N+](C)(C)C\C(=C/c3ccc(cc3)N(CC)CC)\C2=O)cc1"	0	""	""	5	4	"54602033"	NA
"634792"	634792	"(3Z,5Z)-3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"[I-].COc1ccc(\C=C/2\C[N+](C)(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1"	0	""	""	2	1	"54608638"	NA
"634793"	634793	"(3Z,5Z)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide"	"CSc1ccc(\C=C/2\C[N+](C)(C)C\C(=C\c3ccc(SC)cc3)\C2=O)cc1"	0	""	""	1	1	"54601651"	NA
"634794"	634794	"(3Z,5Z)-3,5-bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"C[N+]1(C)C\C(=C\c2ccc(F)cc2)\C(=O)\C(=C/c3ccc(F)cc3)\C1"	0	""	""	1	1	"54608810"	NA
"634800"	634800	""	"CN(C)CCCOc1ccc(\C=C/2\CCC\C(=C\c3ccc(OCCCN(C)C)cc3)\C2=O)cc1"	0	NA	NA	1	1	"497299"	NA
"634802"	634802	"bullatalicin"	"CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C2CCC(CCCCCCC[C@H](O)CC3=C[C@@H](C)OC3=O)O2"	0	""	""	3	2	"5459162"	NA
"634867"	634867	"2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one"	"CN1C(=S)N(C)C2(SC(C)(C)C2(C)C)C(C)(C)C1=O"	0	""	""	1	1	"366460"	NA
"634926"	634926	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"O=S1C(CC(=Nc2ccccc12)c3cccc4ccccc34)c5cccc6ccccc56"	0	""	""	1	1	"366466"	NA
"634929"	634929	"4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide"	"CCC1C(=C(C)NC(=C1c2ccccc2C)C)C(=O)Nc3ccccc3C"	0	""	""	2	1	"366470"	NA
"634931"	634931	"4-(4-Acetamidophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC(=O)Nc1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3C)C)C(=O)Nc4ccccc4C"	0	""	""	2	1	"366472"	NA
"635000"	635000	""	"[Cl-][IrH+3](P(C)(C)C)(P(C)(C)C)(P(C)(C)C)([H-])[N-]1C=Cc2ccccc12"	0	NA	NA	1	1	"581454"	NA
"635076"	635076	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)N"	0	NA	NA	1	1	"497424"	NA
"635089"	635089	"peptide isolated from viscum alblum extract (iscador)"	NA	0	NA	NA	1	1	"497425"	NA
"635116"	635116	"Methyl 2-hydrazinyl-5-[5-(6-hydrazinyl-2-methoxycarbonyl-4-oxo-1H-pyridin-3-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate"	"COC(=O)c1nc(NN)cc(O)c1CCCCCc2c(O)nc(NN)nc2C(=O)OC"	0	""	""	2	1	"135483932"	NA
"635119"	635119	""	"Cc1cc(Cl)ccc1N2C(=O)C(=O)C(\C(=N/NC(=O)c3ccccc3O)\C2=O)c4nc5ccccc5s4"	0	NA	NA	2	1	"497449"	NA
"635120"	635120	"4-Vinyl-2,3-dihydro-1,2,3-thiadiazole"	"C=CC1=CSNN1"	0	""	""	2	1	"366511"	NA
"635123"	635123	"3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide"	"Cc1cc(Cl)ccc1NC(=O)C(=O)Cc2oc3ccccc3n2"	0	""	""	2	1	"366514"	NA
"635124"	635124	"Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate"	"CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC"	0	""	""	2	1	"3004177"	NA
"635127"	635127	"N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide"	"CCc1cccc(C)c1NC(=O)CCc2oc(SC)nn2"	0	""	""	2	1	"366518"	NA
"635130"	635130	"STK439738"	"COC(=O)CCC(=O)Nc1cccc(c1)C(F)(F)F"	0	""	""	2	1	"366521"	NA
"635132"	635132	"N-(2-Adamantyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide"	"CC1=C(Sc2ccccc2N1)C(=O)CC(=O)C(=O)NC3C4CC5CC(CC3C5)C4"	0	""	""	2	1	"366523"	NA
"635136"	635136	"5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2ccc3ccccc3c2)C(=O)Nc4c(Cl)cc(Cl)cc14"	0	""	""	2	1	"366527"	NA
"635140"	635140	"NCIMech_000164"	"COC(=O)C1=C(C(=O)NC(=S)N1)c2ccc(Cl)cc2"	0	""	""	2	1	"3004178"	NA
"635141"	635141	"N-(2-ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide"	"CCOc1ccccc1NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2"	0	""	""	2	1	"366532"	NA
"635150"	635150	"dibromo(1-phenylbutane-1,3-dionato)titanium(iv)"	"[Br-][Ti+4]12([Br-])([O]=C(C)CC(=[O]1)c3ccccc3)[O]=C(C)CC(=[O]2)c4ccccc4"	0	NA	NA	1	1	"581484"	NA
"635156"	635156	"dibromobis(1,3-diphenyl-1,3-dionato)titanium(iv)"	"[Br-][Ti+4]12([Br-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"497482"	NA
"635157"	635157	"dichlorobisoxinatotitanium(iv)"	"[ClH-][Ti+4]12([ClH-])([O-]c3cccc4ccc[n+]1c34)[O-]c5cccc6ccc[n+]2c56"	0	NA	NA	1	1	"581486"	NA
"635158"	635158	"dichlorobis(1,3-diphenyl-1,3-dionato)titanium(iv)"	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"497483"	NA
"635296"	635296	"3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c3ccc(Br)cc3"	0	""	""	2	1	"366621"	NA
"635297"	635297	"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"CC(C(=O)c1ccc(O)cc1)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	2	1	"366622"	NA
"635306"	635306	"3'-benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one"	"Clc1cc(Cl)c2NC(=O)C3(OC3C(=O)c4ccccc4)c2c1"	0	""	""	2	2	"366631"	NA
"635320"	635320	"5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"CC(C(=O)c1ccc(Cl)cc1)C2(O)C(=O)Nc3c(C)cc(Cl)cc23"	0	""	""	2	1	"366645"	NA
"635321"	635321	"6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)C(C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"366646"	NA
"635327"	635327	"4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2ccc3ccccc3c2)C(=O)Nc4c(Cl)ccc(Cl)c14"	0	""	""	1	1	"366652"	NA
"635339"	635339	"N-[(E)-[1,4-Bis(4-bromophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide"	"Oc1ccccc1C(=O)N\N=C(/C(C#N)c2ccc(Br)cc2)\C(=O)C(C#N)c3ccc(Br)cc3"	0	""	""	1	1	"9570041"	NA
"635340"	635340	"5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c3occc3"	0	""	""	2	2	"366665"	NA
"635370"	635370	"Mivobulin Isethionate"	"CCOC(=O)Nc1cc2N[C@@H](C)C(=Nc2c(N)n1)c3ccccc3"	0	""	""	4	2	"182762"	NA
"635371"	635371	"Sedoxantrone Trihydrochloride"	"CCN(CC)CCn1nc2c3ccc(O)cc3Sc4c(NCCN)ccc1c24"	0	NA	NA	1	1	"497623"	NA
"635393"	635393	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide"	"CC1=C(Sc2ccccc2N1)C(=O)CC(=O)C(=O)Nc3ccccc3"	0	""	""	1	1	"366676"	NA
"635397"	635397	"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate"	"COC(=O)\C(=N/Nc1nnc(C)n1N)\C(C#N)c2ccccc2"	0	""	""	2	1	"9570044"	NA
"635405"	635405	"1h-indol-2-one, 3-[2-(2,4-dibromophenyl)-2-oxoethyl]- 5,..."	"OC1(CC(=O)c2ccc(Br)cc2Br)C(=O)Nc3c(Cl)cc(Cl)cc13"	0	""	""	3	3	"366688"	"907954410"
"635414"	635414	""	"Cc1nnc(N\N=C(/C(C#N)c2ccccc2)\C(=O)C(C#N)c3ccccc3)n1N"	0	NA	NA	2	1	"497648"	NA
"635415"	635415	"Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate"	"COC(=O)\C(=N/NC(=O)c1ccccc1O)\C(C#N)c2ccc(Cl)cc2"	0	""	""	1	1	"5930707"	NA
"635416"	635416	"6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c3ccc(Cl)cc3"	0	""	""	2	1	"366699"	NA
"635418"	635418	"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide"	"Cc1ccc(NC(=O)CC2SC(=NC2=O)Nc3ccc(Cl)cc3)cc1C"	0	""	""	2	2	"135483407"	NA
"635424"	635424	"(5Z)-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione"	"Cc1ccc(C)c(c1)N2C(=O)C(=O)C(\C(=N\N)\C2=O)c3nc4ccccc4s3"	0	""	""	2	1	"6165207"	NA
"635425"	635425	"4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide"	"[O-][N+](=O)c1ccc(cc1)C(=O)CC(=O)C(=O)Nc2nccs2"	0	""	""	2	1	"366708"	NA
"635430"	635430	"6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	1	"366714"	NA
"635434"	635434	"STK037888"	"CC(C(=O)c1ccccc1)C2(O)C(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	"366718"	NA
"635438"	635438	"5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3c(Cl)cc(Cl)cc13"	0	""	""	2	1	"366721"	NA
"635443"	635443	"4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2occc2)C(=O)Nc3c(Cl)ccc(Cl)c13"	0	""	""	2	2	"366726"	NA
"635445"	635445	""	"Nn1nc(S)nc1N\N=C(/C(C#N)c2ccccc2)\C(=O)C(C#N)c3ccccc3"	0	NA	NA	2	1	"497679"	NA
"635447"	635447	""	"CN(C)C1=S[Ni+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	NA	NA	1	1	"581489"	NA
"635448"	635448	"copper, bromo[2-[1-(2-pyridinyl)ethylidene][n,n-dimethyl..."	"CN(C)C1=S[Cu+2]2([BrH3-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	""	""	4	4	"9578864"	NA
"635449"	635449	"copper, chloro[2-[1-(2-pyridinyl)ethylidene][n,n-dipropy..."	"CCCN(CCC)C1=S[Cu+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	""	""	4	4	"9578865"	NA
"635450"	635450	"Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide"	"CC1=[N+]2[N-]C(=S[Cu+2]2([BrH3-])[n+]3ccccc13)N4CCCCCC4"	0	""	""	2	2	"9578866"	NA
"635451"	635451	"cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][n,n-dipr..."	"CCCN(CCC)C1=S[Cu+2]2([BrH3-])([BrH3-])[N+](=Cc3cccc[n+]23)[N-]1"	0	""	""	4	2	"9578867"	NA
"635453"	635453	"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2(1H)-one"	"COC1=NC(=O)N(C=N1)C2C=C(CO)C(O)C2O"	0	""	""	1	1	"366731"	NA
"635461"	635461	"2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline"	"COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC"	0	""	""	1	1	"366739"	NA
"635519"	635519	"STL261073"	"CCOC(=O)C(=O)Nc1ccccc1C(F)(F)F"	0	""	""	1	1	"366746"	NA
"635524"	635524	"4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone"	"CCOc1ccccc1N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3"	0	""	""	1	1	"366751"	NA
"635525"	635525	"4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone"	"FC(F)(F)c1cccc(c1)N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3"	0	""	""	2	1	"366752"	NA
"635526"	635526	"Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate"	"CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)C"	0	""	""	1	1	"366753"	NA
"635541"	635541	"2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide"	"CC(C)c1ccccc1NC(=O)\C(=N/NC(=O)c2ccccc2O)\CC(=O)c3c(C)[n+]([O-])c4ccccc4[n+]3[O-]"	0	""	""	1	1	"6285462"	NA
"635544"	635544	"(2E)-2-hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	"Cc1c(C(=O)C\C(=N/O)\C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"6399319"	NA
"635545"	635545	"Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate"	"CCc1cccc(C(C)C)c1NC(=O)C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)OC"	0	""	""	1	1	"366772"	NA
"635550"	635550	"3-[(6Z)-6-Benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide"	"Clc1ccc(Cl)c(NC(=O)CCc2nnc3S\C(=C/c4ccccc4)\C(=O)n23)c1"	0	""	""	1	1	"5388395"	NA
"635552"	635552	""	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C\C(=N\OCCCc3ccccc3)\C(=O)Nc4cc(Cl)ccc4Cl)c(C)[n+]2[O-]"	0	NA	NA	1	1	"497731"	NA
"635554"	635554	""	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C\C(=N\NC(=O)CC#N)\C(=O)Nc3ccccc3C(F)(F)F)c(C)[n+]2[O-]"	0	NA	NA	1	1	"497733"	NA
"635560"	635560	"3-(1-Azocanyl)-3-oxopropanenitrile"	"O=C(CC#N)N1CCCCCCC1"	0	""	""	1	1	"366787"	NA
"635562"	635562	"3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile"	"O=C(CC#N)N1CCCOCCC1"	0	""	""	1	1	"366789"	NA
"635563"	635563	"NCIMech_000095"	"Oc1ccc(cc1[N+](=O)[O-])c2nnc(S)[nH]2"	0	""	""	1	1	"4359419"	NA
"635566"	635566	"A1-00852"	"CCOC(=O)C(=O)Nc1ccc(C)c(C)c1"	0	""	""	2	1	"366793"	NA
"635570"	635570	"acetamide, 2-ethoxy-2-oxo-n-(tricyclo[3.3.1.1(3,7)]decan..."	"CCOC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2"	0	""	""	1	1	"366798"	NA
"635573"	635573	"4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate"	"Cc1ccc(cc1)C(=O)C(=C)C(=O)C(=O)Oc2ccc(Cl)cc2"	0	""	""	1	1	"366801"	NA
"635583"	635583	"N-(4-chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide"	"CC1=NN(C(=O)Nc2ccc(Cl)cc2)C(=O)C3CCC(=O)N13"	0	""	""	1	1	"366811"	NA
"635591"	635591	"9-n-(n'-bis-chloroethyl-n-1,4-diaminobutyl)2-methoxyacri..."	"COc1ccc2nc3ccccc3c(NCCCCN(CCCl)CCCl)c2c1"	0	""	""	2	2	"366819"	NA
"635691"	635691	""	"CCC1=C(C)C(=NC1=O)\C=C/2\N\C(=C\c3[nH]c(\C=C\4/C(/C(C(N4)=O)C)=C/C)c(C)c3CCC(=O)O)\C(=C2C)CCC(=O)O"	0	NA	NA	1	1	"497793"	NA
"635818"	635818	"[5-hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea"	"NC(=O)Nc1cc(O)ccc1N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3"	0	""	""	1	1	"366842"	NA
"635823"	635823	"3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	"Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2)OC(=O)Nc3ccc(C)cc3)cc1"	0	""	""	1	1	"366846"	NA
"635824"	635824	"LS-120604"	"Cc1ccccc1OCC(COC(=O)Nc2ccccc2)OC(=O)Nc3ccccc3"	0	""	""	1	1	"366847"	NA
"635830"	635830	"AS-30619"	"OCC(O)COc1ccc(Br)cc1"	0	""	""	1	1	"113926"	NA
"635831"	635831	"2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone"	"Cc1ccc(C)c(c1)C(=O)CC2OC(O)C(Cl)C2Cl"	0	""	""	1	1	"366852"	NA
"635832"	635832	"LS-120557"	"COc1ccccc1OCC(COC(=O)Nc2ccccc2)OC(=O)Nc3ccccc3"	0	""	""	1	1	"366853"	NA
"635834"	635834	"CBKinase1_002186"	"[O-][N+](=O)c1ccccc1NC(=O)CC2Sc3ccccc3NC2=O"	0	""	""	1	1	"366855"	NA
"635842"	635842	"N-(2-tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1cccc(c1NC(=O)CC2Sc3ccccc3NC2=O)C(C)(C)C"	0	""	""	1	1	"366863"	NA
"635893"	635893	"Tetrakis(4-methyltropolonato)thorium(IV)-hydrate"	"CC1=CC=CC(=O)C(=C1)[O-][Th+4]23([O]=C4C=CC=C(C)C=C4[O-]2)([O]=C5C=CC=C(C)C=C5[O-]3)[O-]C6=CC(=CC=CC6=O)C"	0	""	""	2	2	"438410"	NA
"635894"	635894	"cis-dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(iv)"	"[Cl-][Hf+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"497825"	NA
"635899"	635899	"chlorotris(1,3-diphenylpropane-1,3-dionato)zirconium(iv)"	"C1C(=[O][Zr+4]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O]=C1c8ccccc8)c9ccccc9"	0	""	""	1	1	"11979327"	NA
"635900"	635900	"Tetrakis(pentane-2,4-dionato)zirconium(IV)"	"CC(=O)C\C(=[O]/[Zr+4]12(\[O]=C(\C)/CC(=O)C)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C)\C"	0	""	""	1	1	"5388409"	NA
"635901"	635901	"trans-3-methylpyrazolium[tetrachlorobis-3-methylpyrazole..."	"Cc1cc[nH]n1.Cc2cc[n+]([nH]2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3ccc(C)[nH]3"	0	NA	NA	1	1	"497832"	NA
"635904"	635904	"dioxobis[1-(2-hydroxyphenyl-nc-azomethine)benzole-2-olat..."	"Oc1ccccc1[N+]2=[C-]c3ccccc3[O-][U+4]24(=O)(=O)[O-]c5ccccc5[C-]=[N+]4c6ccccc6O"	0	""	""	1	1	"54687012"	NA
"635905"	635905	"dioxobis(1-phenylbutane-1,3-dionato)uranium(vi)- hydrate"	"CC1=[O][U+2]2(=O)(=O)([O]=C(C)CC(=[O]2)c3ccccc3)[O]=C(C1)c4ccccc4"	0	""	""	1	1	"366868"	NA
"635906"	635906	"diethoxoy(1,4-diphenyltetradecane-1,3,12,14-tetraonato) ..."	"CC[O-][Ti+4]123([O]=C(CCCCCCCCC(=[O]1)CC(=[O]2)c4ccccc4)CC(=[O]3)c5ccccc5)[O-]CC"	0	""	""	1	1	"366869"	NA
"635921"	635921	"2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]thiazolo[5,4-b]pyridin-4-ium iodide"	"CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)c3nc4ccc[n+](C)c4s3"	0	""	""	1	1	"366877"	NA
"635922"	635922	""	"CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)c3nc4cccn(C)c4n3"	0	NA	NA	1	1	"497845"	NA
"635930"	635930	"10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one"	"CCN(CC)CCCNc1nccc2c(C)c3Nc4ccncc4C(=O)c3cc12"	0	""	""	2	2	"366887"	NA
"635956"	635956	""	"Fc1ccc(cc1)C(=O)\C=C/c2cccc3ccccc23"	0	NA	NA	1	1	"497861"	NA
"635957"	635957	"3,4-DICHLORO-4'-FLUOROCHALCONE"	"Fc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"5388422"	NA
"635958"	635958	"(E)-4-(3-thionitrosophenyl)but-3-en-2-one"	"CC(=O)\C=C\c1cccc(c1)N=S"	0	""	""	2	2	"5388423"	NA
"635963"	635963	"ZX-AT016285"	"Clc1ccc(C(=O)\C=C\c2ccccc2)c(Cl)c1"	0	""	""	1	1	"5388428"	NA
"635971"	635971	"N,N'-Bis(2-hydroxyphenyl)malonamide"	"Oc1ccccc1NC(=O)CC(=O)Nc2ccccc2O"	0	""	""	1	1	"366911"	NA
"635973"	635973	"Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury"	"COc1c(Cl)c([Hg]OC(=O)C)c(OC)c(NC(=O)CC(=O)C)c1[Hg]OC(=O)C"	0	""	""	1	1	"16683866"	NA
"635979"	635979	"Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury"	"COc1cc([Hg]OC(=O)C)c(OC)c(NC(=O)CC(=O)C)c1[Hg]OC(=O)C"	0	""	""	2	2	"16683868"	NA
"636009"	636009	"crotoxin cd"	NA	0	NA	NA	4	4	"497885"	NA
"636084"	636084	"(Z)-4-(3-chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid"	"CC1CCCC(C1)C(=O)\C(=C\c2cccc(Cl)c2)\C(=O)C(=O)O"	0	""	""	1	1	"5351370"	NA
"636085"	636085	"3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	"Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2Cl)OC(=O)Nc3ccc(C)cc3)cc1"	0	""	""	1	1	"366921"	NA
"636087"	636087	"3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol"	"CSc1ccc(OCC2OC2O)cc1"	0	""	""	2	1	"366923"	NA
"636089"	636089	"Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-"	"OC1OC(CC(=O)c2cccnc2)C(=C1Cl)Cl"	0	""	""	2	1	"366925"	NA
"636092"	636092	"pyridine-3,5-dicarboxamide, 1,4-dihydro-2,6-dimethyl- 4-..."	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3)C)C(=O)Nc4ccccc4"	0	""	""	7	3	"366928"	NA
"636094"	636094	""	"CCOC(=O)\C(=C(/O)\C(=C\c1ccccc1Cl)\NC(=O)c2ccccc2)\C#N"	0	NA	NA	1	1	"497896"	NA
"636095"	636095	"Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate"	"CCOC(=O)CC1NC(=O)CS1"	0	""	""	1	1	"366931"	NA
"636097"	636097	"N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2C3=CC=COC3)C(=O)Nc4ccccc4OC)C"	0	""	""	1	1	"366933"	NA
"636112"	636112	"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide"	"Cc1cccc(c1NC(=O)CCC2=NNC(=S)O2)C(C)(C)C"	0	""	""	1	1	"3004210"	NA
"636114"	636114	"1,3,5-triazine-2,4-dithiol, 6-(3,4-dichlorophenoxy)-"	"Sc1nc(S)nc(Oc2ccc(Cl)c(Cl)c2)n1"	0	""	""	2	1	"3004211"	NA
"636120"	636120	"1-(4-Chlorophenyl)-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea"	"[O-][N+](=O)c1cccc(\C=C\c2cc(nc(S)n2)C(=O)NNC(=O)Nc3ccc(Cl)cc3)c1"	0	""	""	1	1	"5388439"	NA
"636138"	636138	"EU-0091995"	"COc1ccc(cc1)C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2"	0	""	""	2	1	"366976"	NA
"636200"	636200	"bar 2a5"	NA	0	NA	NA	1	1	"497970"	NA
"636207"	636207	"fri 3b1"	NA	0	NA	NA	1	1	"497977"	NA
"636209"	636209	"lac 4d12"	NA	0	NA	NA	1	1	"497979"	NA
"636218"	636218	"dhl 5d10"	NA	0	NA	NA	1	1	"497988"	NA
"636326"	636326	"Agrocybin"	"NC(=O)C#CC#CC#CCO"	0	""	""	1	1	"11004"	NA
"636327"	636327	"2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide"	"Cc1cc2C(=O)c3ccccc3c2c(C(=O)N)c1C"	0	""	""	1	1	"366999"	NA
"636336"	636336	""	"[O-][N+](=O)c1ccc(NC(=O)C2C(=O)N(C(=O)C2=O)c3ccc(cc3)[N+](=O)[O-])cc1"	0	NA	NA	1	1	"498023"	NA
"636338"	636338	"STK032387"	"OC(=O)\C=C\C(=O)Nc1nc[nH]n1"	0	""	""	1	1	"5388444"	NA
"636344"	636344	"4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine"	"Clc1ccc(C2=Nc3ccccc3SC(C2)c4ccc(Cl)c(Cl)c4)c(Cl)c1"	0	""	""	2	1	"367017"	NA
"636365"	636365	"Dimethyl 2,10-bis(3-amino-5-oxo-5h-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate"	"COC(=O)C(CCCCCCCC(C(=O)OC)C1=Nc2nnc(N)n2C1=O)C3=Nc4nnc(N)n4C3=O"	0	""	""	2	2	"135503466"	NA
"636373"	636373	""	"OC1Nc2cc(ccc2N/C/1=C/C(=O)c3cccc(c3)[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	"498059"	NA
"636374"	636374	"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"Clc1ccc(cc1)C2=Nc3ccccc3S(=O)C(C2)c4cccs4"	0	""	""	1	1	"367046"	NA
"636378"	636378	"N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	"[O-][N+](=O)c1ccc2N=CC(NC(=O)\C=C\c3ccccc3)C(=O)Nc2c1"	0	""	""	1	1	"5388449"	NA
"636379"	636379	"2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione"	"[O-][N+](=O)c1cccc(c1)N2C(=O)C3Nc4ccccc4SC3C2=O"	0	""	""	2	1	"367051"	NA
"636476"	636476	"cis-difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di..."	"[F-][Ti+4]12([F-])([O]=C(C)CC(=[O]1)c3c(C)cc(C)cc3C)[O]=C(C)CC(=[O]2)c4c(C)cc(C)cc4C"	0	NA	NA	1	1	"498126"	NA
"636481"	636481	"cis-dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium..."	"[Cl-][Ti+4]12([Cl-])([O]=C(C)CC(=[O]1)c3cccs3)[O]=C(C)CC(=[O]2)c4cccs4"	0	NA	NA	1	1	"498131"	NA
"636503"	636503	""	"Brc1ccc(cc1)N2C(=O)[C@H]3C4C=C5c6ccccc6N(c7ccccc7)C5([C@H]3C2=O)C8C4C(=O)N(C8=O)c9ccc(Br)cc9"	0	NA	NA	1	1	"498146"	NA
"636506"	636506	"(Z)-2-chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one"	"Cc1[nH]c2ccccc2c1C3Cc4ccccc4N3C(=O)\C(=C\c5ccccc5)\Cl"	0	""	""	2	1	"5388493"	NA
"636510"	636510	"1-[(Z)-1-chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(\C(=C\c2ccc(\C=C(/Cl)\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)\Cl)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"5388495"	NA
"636511"	636511	"1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(C(Cl)C(Cl)c2ccc(cc2)C(Cl)C(Cl)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	2	2	"367124"	NA
"636514"	636514	"Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate"	"COC(=O)C1=C(C(=O)OC)C23CC1C4C(=C(C(=O)OC)C24C5C=CC3C6C5C(=O)OC6=O)C(=O)OC"	0	""	""	1	1	"367127"	NA
"636517"	636517	"10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione"	"CC12Nc3ccccc3C1=C(CC4C2C(=O)OC4=O)c5ccccc5"	0	""	""	1	1	"367130"	NA
"636519"	636519	"RCL R153257"	"COC(=O)C1=C(C(=O)OC)C23CC1C4C(=C(C(=O)OC)C24C=CC=C3)C(=O)OC"	0	""	""	1	1	"367132"	NA
"636520"	636520	"3-Oxido-2-phenyl-1,3-benzoxazol-3-ium"	"[O-][n+]1c(oc2ccccc12)c3ccccc3"	0	""	""	2	2	"367133"	NA
"636597"	636597	"polymer containing stable free verdazyl radicals- polyel..."	NA	0	NA	NA	2	2	"498174"	NA
"636672"	636672	"furo[2,3-b]benzofuran, 2,3,3a,8a-tetrahydro-5,7-diiodo-4..."	"COc1c(I)c(OC)c2[C@H]3CCO[C@H]3Oc2c1I"	0	NA	NA	1	1	"498225"	NA
"636673"	636673	"carbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1h-benzim..."	"O=C(Nc1ccccc1)OCc2nc3C(=O)C=CC(=O)c3[nH]2"	0	""	""	1	1	"367178"	NA
"636675"	636675	"4-piperidinone, 1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5- bis(..."	"O=C(CCN1CCCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	"498228"	NA
"636676"	636676	"4-piperidinone, 1-[3-(4-morpholinyl)-1-oxopropyl]- 3,5-b..."	"O=C(CCN1CCOCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	"498229"	NA
"636679"	636679	""	"C[N+]1(C)C\C(=C/C=C/c2ccccc2)\C(=O)\C(=C\C=C\c3ccccc3)\C1"	0	NA	NA	4	4	"581510"	NA
"636682"	636682	""	"O=C1\C(=C\c2ccc3OCCOc3c2)\CCC/C/1=C\c4ccc5OCCOc5c4"	0	NA	NA	1	1	"498233"	NA
"636788"	636788	"1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one"	"Oc1ccccc1\C=C\C(=O)\C=C\c2ccccc2"	0	""	""	1	1	"5904790"	NA
"636790"	636790	"2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxy- ph..."	"Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1"	0	NA	NA	1	1	"498301"	NA
"636791"	636791	"3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one"	"Oc1ccc2ccccc2c1\C=C\C(=O)c3ccccc3"	0	""	""	1	1	"5879764"	NA
"636792"	636792	""	"CN(C)c1ccc(\C=C(\NC(=O)c2ccccc2)/c3nc4cc(Cl)ccc4[nH]3)cc1"	0	NA	NA	3	1	"498303"	NA
"636794"	636794	"2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	"COc1ccc(cc1)C2CC(=Nc3c(O)nc(S)nc3N2)C"	0	""	""	1	1	"3004217"	NA
"636803"	636803	"2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(COc2c(Cl)cc(Cl)cc2Cl)O1"	0	""	""	1	1	"16683182"	NA
"636811"	636811	""	"Oc1ccccc1\C=C\C(=O)c2ccccc2O"	0	NA	NA	1	1	"498322"	NA
"636859"	636859	"Cuspidatin C"	"CC(=O)OC1CC2CC3C(=C)C(CC(OC(=O)C)C3(C)C(OC(=O)C)C(OC(=O)C)C(=C1C)C2(C)C)OC(=O)\C=C\c4ccccc4"	0	""	""	1	1	"5459164"	NA
"636861"	636861	""	"c1ccc2c(c1)[nH]c3c2nc4sccn34"	0	NA	NA	1	1	"498361"	NA
"636869"	636869	"5-fluoro-1-(2,3,6-trideoxy-.alpha.-l-glycero-hexopyran-4..."	"CC1OC(CCC1=O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"367305"	NA
"636878"	636878	"3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine"	"COc1c(nc2ccc(Oc3ccccc3)nn12)c4ccccc4"	0	""	""	2	1	"367310"	NA
"636918"	636918	""	"COc1ccccc1\C=C\C(=O)c2ccccc2"	0	NA	NA	2	2	"498377"	NA
"636934"	636934	""	"O=C(\C=C\c1ccc(cc1)C#N)c2ccccc2"	0	NA	NA	2	2	"498393"	NA
"636948"	636948	""	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	2	2	"498407"	NA
"636961"	636961	"1,3-butanedione, 2-[(2-fluorophenyl)methylene]-1-phenyl-..."	"CC(=O)\C(=C\c1ccccc1F)\C(=O)c2ccccc2"	0	NA	NA	1	1	"498420"	NA
"636968"	636968	"Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone"	"CC#N.[ClH-][Te+4]12([ClH-])([OH+][C@@H]3CCCC[C@@H]3[O-]1)[OH+][C@@H]4CCCC[C@@H]4[O-]2"	0	""	""	3	2	"498869"	NA
"636969"	636969	"Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol"	"CC#N.[ClH-][Te+4]12([ClH-])([OH+][C@@H]3CCCC[C@H]3[O-]1)[OH+][C@@H]4CCCC[C@H]4[O-]2"	0	""	""	1	1	"498871"	NA
"636979"	636979	"altemicidin"	"CN1CC2C(CC(O)[C@@]2(NC(=O)CS(=O)(=O)N)C(=O)O)C(=C1)C(=O)N"	0	NA	NA	2	1	"498429"	NA
"636984"	636984	"Neuro_000286"	"CC1=Nc2c(O)nc(S)nc2NC(C1)c3c(Cl)cccc3Cl"	0	""	""	3	2	"3004220"	NA
"636986"	636986	"STL192071"	"Cc1ccc(C(=O)\C=C\c2ccccc2O)c(C)c1"	0	""	""	1	1	"5805594"	NA
"636992"	636992	"4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide"	"Clc1cc(Cl)c2NS(=O)Sc2c1Cl"	0	""	""	1	1	"367355"	NA
"636993"	636993	"5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide"	"Cc1cc(C)c2SS(=O)Nc2c1"	0	""	""	1	1	"367356"	NA
"636997"	636997	"(E)-3-(2-chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide"	"[O-][N+](=O)c1ccc2N=CC(CNc2c1)NC(=O)\C=C\c3ccccc3Cl"	0	""	""	1	1	"6186725"	NA
"636998"	636998	"N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	"Cc1cc2NC(=O)C(NC(=O)\C=C\c3ccccc3)C=Nc2cc1C"	0	""	""	1	1	"6080447"	NA
"637000"	637000	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	"CC1CC(=Nc2ccccc2S1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"367361"	NA
"637003"	637003	"Methyl 3-(benzylcarbamoyl)-2,4-dioxopentanoate"	"COC(=O)C(=O)C(C(=O)C)C(=O)NCc1ccccc1"	0	""	""	1	1	"367364"	NA
"637006"	637006	"STL353617"	"Cc1cc(C)cc(NC(=S)N)c1"	0	""	""	1	1	"736215"	NA
"637008"	637008	"ALBB-004405"	"Cc1nc(N)c(s1)c2ccccc2"	0	""	""	2	1	"367369"	NA
"637009"	637009	"2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile"	"O=CC1(C#N)N(C=Cc2ccccc12)C(=O)c3ccccc3"	0	""	""	1	1	"367370"	NA
"637037"	637037	"O-6-Benzylguanine"	"Nc1nc(OCc2ccccc2)c3nc[nH]c3n1"	0	"DDR|MGMT"	"Clinical trial"	3	1	"4578"	"19916735"
"637124"	637124	"n,n'-di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	3	3	"498490"	NA
"637125"	637125	"2-[(Butanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	1	1	"367399"	NA
"637126"	637126	"9-Methoxy-5,11-dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	"367401"	NA
"637127"	637127	"2-[(Hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	"367403"	NA
"637128"	637128	"2-[(Heptanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	"367405"	NA
"637129"	637129	"2-[(Butanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	"367407"	NA
"637130"	637130	"5,11-Dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	2	2	"367409"	NA
"637131"	637131	"2-[(Hexanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	"367411"	NA
"637132"	637132	"2-[(Heptanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	"367413"	NA
"637140"	637140	"9-n-(n'-bis-chloroethyl-n-1,5-diaminopentyl)-2-methoxy a..."	"COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1"	0	NA	NA	3	3	"498505"	NA
"637153"	637153	"DNDI1417400"	"CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC"	0	""	""	2	2	"367432"	NA
"637186"	637186	""	"Clc1ccc(OC(=N)NNS(=O)(=O)c2ccccc2)cc1"	0	NA	NA	1	1	"498550"	NA
"637198"	637198	"[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury"	"COc1c(Cl)c([Hg]OC(=O)C)c(NCC(=O)C)c(OC)c1[Hg]OC(=O)C"	0	""	""	1	1	"16683869"	NA
"637200"	637200	"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide"	"CC1CC(=Nc2ccccc2S1(=O)=O)c3ccccc3"	0	""	""	1	1	"367468"	NA
"637202"	637202	"1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nc(Cl)cc(Cl)n2"	0	""	""	1	1	"367470"	NA
"637206"	637206	"tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti..."	"CC1=[O][Ti+3]23([Cl-][Ti+3]45([Cl-]2)([O]=C(C)CC(=[O]4)c6ccccc6)[O]=C(C)CC(=[O]5)c7ccccc7)([O]=C(C)CC(=[O]3)c8ccccc8)[O]=C(C1)c9ccccc9"	0	NA	NA	1	1	"498568"	NA
"637207"	637207	"cis-dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccc(OC)cc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccc(OC)cc5)c6ccccc6"	0	NA	NA	1	1	"498569"	NA
"637209"	637209	"dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat..."	"[O-][N+](=O)c1ccc(cc1)C2=O[Ti+4]3([ClH-])([ClH-])(O=C([CH-]C(=O3)c4ccc(cc4)[N+](=O)[O-])c5ccccc5)O=C([CH-]2)c6ccccc6"	0	NA	NA	3	2	"498571"	NA
"637211"	637211	"Diethoxybis(2-acetyl-1-hydrindonato)titanium(IV)"	"CC[O-][Ti+4]12([O]=C3C(=C(C)[O-]1)Cc4ccccc34)([O]=C5C(=C(C)[O-]2)Cc6ccccc56)[O-]CC"	0	""	""	3	1	"5388596"	NA
"637212"	637212	"cis-dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium..."	"[Cl-][Ti+4]12([Cl-])([O]=C(C)CC(=[O]1)c3c[nH]c4ccccc34)[O]=C(C)CC(=[O]2)c5c[nH]c6ccccc56"	0	NA	NA	1	1	"498573"	NA
"637214"	637214	"cis-dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccc(OC)cc3)c4ccc(OC)cc4)[O]=C(CC(=[O]2)c5ccc(OC)cc5)c6ccc(OC)cc6"	0	NA	NA	2	2	"581517"	NA
"637219"	637219	"cis-bis(1,4-dihydroxybenzolato-o1)bis(1-phenylbutane-1,3..."	"CC1=[O][Ti+4]2([O]=C(C)CC(=[O]2)c3ccccc3)([O]=C(C1)c4ccccc4)([O-]c5ccc(O)cc5)[O-]c6ccc(O)cc6"	0	""	""	1	1	"11979329"	NA
"637220"	637220	"cis-difluorobis(1-phenylhexane-1,3-dionato)titanium(iv)"	"[F-][Ti+4]12([F-])([O]=C(CCC)CC(=[O]1)c3ccccc3)[O]=C(CCC)CC(=[O]2)c4ccccc4"	0	NA	NA	1	1	"498580"	NA
"637309"	637309	""	"CCOC(=O)\C(=C/c1ccc(cc1)C#N)\C(=O)C"	0	NA	NA	1	1	"498619"	NA
"637387"	637387	"polycarpol"	"CC(CCC=C(C)C)[C@H]1CC(O)C2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C"	0	""	""	1	1	"367561"	NA
"637399"	637399	"methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate"	"COC(=O)[C@]12C(COC(=O)C)C=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4C3[C@H]1C(=O)C=CC2=O"	0	""	""	3	1	"367566"	NA
"637404"	637404	"quinoxaline-3,5-diamine, 7-(trifluoromethyl)- n(3)-(3,4,..."	"COc1cc(Nc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	4	3	"367570"	NA
"637410"	637410	"2-quinoxalineamine, n-(3,4-dichlorophenyl)-3-phenyl-6- t..."	"FC(F)(F)c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(nc2c1)c4ccccc4"	0	""	""	1	1	"367577"	NA
"637411"	637411	"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2cnc3ccc(cc3n2)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"367578"	NA
"637414"	637414	"N-benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine"	"FC(F)(F)c1ccc2nc(NCc3ccccc3)c(nc2c1)c4ccccc4"	0	""	""	1	1	"367581"	NA
"637415"	637415	"N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(CNc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"367582"	NA
"637422"	637422	"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile"	"Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C#N)c1C"	0	""	""	2	1	"367590"	NA
"637436"	637436	"naphthalene-1,4-dione, 2-chloro-3-[1-cyano-2-oxo-2- [[[6..."	"Cc1cccc(c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O)C(C)(C)C"	0	""	""	3	2	"367604"	NA
"637438"	637438	"Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate"	"CCCCNC1=C(C(=O)OCC)\C(=N\NC(=O)c2ccccc2O)\CO1"	0	""	""	1	1	"135483944"	NA
"637441"	637441	"ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate"	"CCOC(=O)C1=C(Nc2ccc(Br)cc2)OC/C/1=N\NC(=O)c3ccccc3O"	0	""	""	2	2	"135483945"	NA
"637443"	637443	""	"CCOC(=O)C1=C(NC)OC/C/1=N\NC(=O)c2ccccc2O"	0	NA	NA	1	1	"498735"	NA
"637447"	637447	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide"	"ClC1=C(C(C#N)C(=O)Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"367615"	NA
"637458"	637458	"Rubescensin A (Oridonin) [Rabdosia diterpenoid]"	"CC1(C)CCC(O)C23CO[C@](O)([C@@H](O)C12)C45C(O)C(CCC34)C(=C)C5=O"	0	""	""	2	2	"5459168"	NA
"637459"	637459	"Macrocalyxoformin B (Rabdosia diterpenoids)"	"CC12CC[C@@H]3OC(=O)C45CC(CCC4C36CO[C@H](OC1)C26)C(=C)C5=O"	0	""	""	2	2	"367617"	NA
"637460"	637460	"Excisanin B"	"CC(=O)OC1CC2C3(C)C(O)CCC(C)(C)C3CC(O)C24[C@H](O)C1C(=C)C4=O"	0	""	""	2	2	"367618"	NA
"637461"	637461	"Jiuhuanin B"	"CC(=O)OC1CC2C3(C)C(CCC(C)(C)C3C[C@H](OC(=O)C)C24[C@@H](OC(=O)C)C1C(=C)C4=O)OC(=O)C"	0	""	""	1	1	"367619"	NA
"637462"	637462	"eriocalyxin b"	"CC1(C)C=CC(=O)C23CO[C@@](O)([C@@H](O)C12)C45CC(CCC34)C(=C)C5=O"	0	""	""	2	2	"367620"	NA
"637467"	637467	"disulfide, bis[2-amino-4-(4-methoxyphenyl)-1-methyl- 1h-..."	"COc1ccc(cc1)c2nc(N)n(C)c2SSc3c(nc(N)n3C)c4ccc(OC)cc4"	0	""	""	4	2	"367621"	NA
"637469"	637469	"Eupalmerin acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@@H]1OC(=O)C)\C"	0	""	""	2	1	"5459169"	NA
"637505"	637505	"2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC(=O)OCC)C(=O)N(C)C2=O)C(=O)N(C)C1=O"	0	""	""	1	1	"367630"	NA
"637507"	637507	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate"	"O=C(NC1=Nc2ncn(CCOC(=O)c3ccccc3)c2C(=O)N1)c4ccccc4"	0	""	""	2	2	"135501538"	NA
"637516"	637516	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate"	"CS(=O)(=O)OCCn1cnc2N=C(NC(=O)c3ccccc3)NC(=O)c12"	0	""	""	1	1	"135503473"	NA
"637528"	637528	""	"OCC1OC(C(O)C1O)n2cnc3C(=O)NC(=Nc23)NC(=O)c4ccccc4"	0	NA	NA	1	1	"498788"	NA
"637535"	637535	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate"	"O=C(NC1=Nc2ncn(CC(COc3ccccc3)OC(=O)c4ccccc4)c2C(=O)N1)c5ccccc5"	0	""	""	1	1	"135430117"	NA
"637578"	637578	"antineoplastic-637578"	"N=C(Nc1nc(cc2ccccc12)c3ccccn3)c4ccccn4"	0	""	""	6	3	"463108"	"118112100"
"637603"	637603	"2h-1,4-benzothiazin-3-one, 3,4-dihydro-2-[2-[(2,5-dimeth..."	"Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1"	0	NA	NA	4	2	"498811"	NA
"637614"	637614	"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"367683"	NA
"637621"	637621	"Cambridge id 5757267"	"Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)c(C)c1"	0	""	""	1	1	"367690"	NA
"637627"	637627	"N3,N5-bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccc(Cl)c(Cl)c4"	0	""	""	2	2	"367696"	NA
"637628"	637628	"N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2cccc(Cl)c2)c3ccccc3F)C(=O)Nc4cccc(Cl)c4"	0	""	""	1	1	"367697"	NA
"637629"	637629	""	"C\C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(CC(C(=O)NCc2ccccc2)\C(=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C)C(=O)NCc4ccccc4"	0	NA	NA	1	1	"498837"	NA
"637631"	637631	"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3cc(F)c(F)cc3F)C)C(=O)Nc4cc(F)c(F)cc4F"	0	""	""	2	2	"367700"	NA
"637632"	637632	"3-N,5-N-Bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CCc1cccc(C)c1NC(=O)C2=C(C)NC(=C(C2c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4c(C)cccc4CC)C"	0	""	""	1	1	"367701"	NA
"637633"	637633	"3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccccc4OCC)C"	0	""	""	1	1	"367702"	NA
"637651"	637651	"ellipticine"	"COc1ccc2[nH]c3c(C)c4C=CN(C)Cc4c(C)c3c2c1"	0	"TOP2"	""	8	8	"367719"	NA
"637652"	637652	"Nickel meso formyl etioporphyrin"	"CCC1=C(C)C2=CC3=[N+]4C(=C(C=O)c5[nH-]6c(C=C7C(=C(C)C8=[N+]7[Ni+2]46[NH-]2C1=C8)CC)c(C)c5CC)C(=C3CC)C"	0	NA	NA	1	1	"498858"	NA
"637659"	637659	"4,7-diphenyl-1,10-phenanthroline"	"c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccccc5"	0	""	""	1	1	"72812"	"1662017"
"637675"	637675	"2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide"	"Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc3cccc4C(=O)NNC(=O)c34"	0	""	""	1	1	"367736"	NA
"637676"	637676	"2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide"	"Cc1nc(Nc2ccccc2)sc1C(=O)NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"3837233"	NA
"637681"	637681	"3-N,5-N-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccc(NC(=O)C2=C(C)NC(=C(C2c3ccc(O)c(OC)c3)C(=O)Nc4ccc(OCC)cc4)C)cc1"	0	""	""	1	1	"367742"	NA
"637691"	637691	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide"	"Cc1ccccc1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	"367752"	NA
"637692"	637692	"Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate"	"CCOC(=O)C1=C(Nc2cccc3ccccc23)OC/C/1=N\NC(=O)c4ccccc4O"	0	""	""	2	2	"135483950"	NA
"637693"	637693	"ethanedioic acid, mono(4,9-dihydro-4,9-dioxonaphtho[2,3-..."	"CCOC(=O)C(=O)NNc1nc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	3	2	"367754"	NA
"637702"	637702	"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3ccc4OCOc4c3)C(=O)Nc5ccccc5OCC)C"	0	""	""	1	1	"367763"	NA
"637703"	637703	"2,6-Dimethyl-4-(3-nitrophenyl)-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"367764"	NA
"637706"	637706	"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccc(cc3)[N+](=O)[O-])C)C(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"367767"	NA
"637713"	637713	"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"COc1cc(ccc1O)C2C(=C(C)NC(=C2C(=O)Nc3cc(F)c(F)cc3F)C)C(=O)Nc4cc(F)c(F)cc4F"	0	""	""	1	1	"367774"	NA
"637715"	637715	"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2c(C)cccc2C)c3ccc4OCOc4c3)C(=O)Nc5c(C)cccc5C"	0	""	""	1	1	"367776"	NA
"637719"	637719	"3h-anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro- ..."	"CC1=Nc2c(NC(C1)c3cccc4CCCc34)ccc5C(=O)c6ccccc6C(=O)c25"	0	""	""	2	2	"367780"	NA
"637726"	637726	"4-(2-Benzoylanilino)-1,2-naphthalenedione"	"O=C(c1ccccc1)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	1	1	"367785"	NA
"637728"	637728	"4-(2,6-Diethylanilino)-1,2-naphthalenedione"	"CCc1cccc(CC)c1NC2=CC(=O)C(=O)c3ccccc23"	0	""	""	1	1	"367786"	NA
"637729"	637729	"naphthalene-1,2-dione, 1,2-dihydro-4-[(3-pyridinyl)amino]-"	"O=C1C=C(Nc2cccnc2)c3ccccc3C1=O"	0	""	""	6	3	"367787"	NA
"637731"	637731	"naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)am..."	"O=C1C=C(NCCc2ccccc2)c3ccccc3C1=O"	0	""	""	4	4	"367789"	NA
"637732"	637732	"1,2-naphthalenedione, 4-[(4-ethoxyphenyl)amino]-"	"CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	""	""	3	2	"367790"	"75140066"
"637801"	637801	"bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanola..."	"CC1=[O][Ti+4]2([O]=C(C)CC(=[O]2)c3ccccc3)([O]=C(C1)c4ccccc4)([O-]Cc5cccs5)[O-]Cc6cccs6"	0	""	""	1	1	"367795"	NA
"637810"	637810	"sodium[(tetratropolonato)bismuthate(iii)]"	"[Na+].O=C1C=CC=CC=C1[O-][Bi+3]23(O=C4C=CC=CC=C4[O-]2)(O=C5C=CC=CC=C5[O-]3)[O-]C6=CC=CC=CC6=O"	0	NA	NA	2	2	"498943"	NA
"637816"	637816	"cis-dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3cccnc3)c4ccccc4)[O]=C(CC(=[O]2)c5cccnc5)c6ccccc6"	0	NA	NA	1	1	"498946"	NA
"637818"	637818	""	"CCN(CC)CCCC(C)Nc1c(Sc2cnc3cc(Cl)ccc3c2NC(C)CCCN(CC)CC)cnc4cc(Cl)ccc14"	0	NA	NA	1	1	"498948"	NA
"637825"	637825	""	"[Na+].CS(=O[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]1cc2ccccc2[nH]1)C"	0	NA	NA	1	1	"581534"	NA
"637827"	637827	"F919POH697"	"C=C1CC2(OC1=O)c3ccccc3CCc4ccccc24"	0	""	""	3	3	"179617"	NA
"637828"	637828	"spiro[5h-dibenzo[a,d]cycloheptene-5,2'(3'h)-furan]-5'-on..."	"C=C1CC2(OC1=O)c3ccccc3C=Cc4ccccc24"	0	""	""	4	2	"179616"	NA
"637829"	637829	""	"O=C1OC(CC1CN2CCOCC2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"498957"	NA
"637907"	637907	"cancell"	NA	0	NA	NA	2	1	"498984"	NA
"637911"	637911	"[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-"	"COc1ccc2c(c1)c3CCCC4=NNCCn2c34"	0	""	""	2	1	"367836"	NA
"637919"	637919	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"Cc1ccccc1N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	1	1	"5884855"	NA
"637920"	637920	"N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Cc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"367845"	NA
"637921"	637921	"1h-pyrazole-1-propanamide, 3,5-diphenyl- n-(4-methoxyphe..."	"COc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccc(C)cc4)c2c5ccccc5)cc1"	0	""	""	4	2	"367846"	NA
"637991"	637991	"6h-imidazo[4,5,1-de]acridin-6-one, 5-[[2-(dimethylamino)..."	"CN(C)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	"367847"	NA
"637992"	637992	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	1	1	"367848"	NA
"637993"	637993	"6h-imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) e..."	"CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4C(=O)c1c23"	0	""	""	2	2	"367849"	NA
"637994"	637994	"6h-imidazo[4,5,1-de]acridin-6-one, 5-[[3-(diethylamino) ..."	"CCN(CC)CCCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"367851"	NA
"638027"	638027	"(18-Methyl-3,14-dioxo-20-prop-1-en-2-yl-2,15-diazapentacyclo[14.2.2.02,15.04,13.06,11]icosa-4,6,8,10,12,17-hexaen-17-yl) acetate"	"CC(=O)OC1=C(C)C2CC(C1N3N2C(=O)c4cc5ccccc5cc4C3=O)C(=C)C"	0	""	""	2	1	"367860"	NA
"638033"	638033	"2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)c3csc(Nc4ccccc4)n3"	0	""	""	2	2	"367867"	NA
"638034"	638034	"4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole"	"Cc1ccc(Nc2nc(cs2)c3oc(cc3)c4ccc(cc4)[N+](=O)[O-])cc1"	0	""	""	1	1	"367868"	NA
"638035"	638035	"STL016940"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)c3csc(Nc4ccccn4)n3"	0	""	""	1	1	"367869"	NA
"638036"	638036	"2-(2-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	"Cc1ccc(cc1)C2(O)CC(=NN2C(=O)COc3ccccc3Cl)c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"367870"	NA
"638037"	638037	"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	"Cc1ccc(cc1)C2(O)CC(=NN2C(=O)COc3ccc(Cl)cc3)c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	1	"367871"	NA
"638038"	638038	"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitrofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone"	"OC1(CC(=NN1C(=O)COc2ccc(Cl)cc2)c3oc(cc3)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	"367872"	NA
"638042"	638042	"1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol"	"OC1(CC(=NN1C(=O)COc2ccc(Cl)cc2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	2	1	"367876"	NA
"638050"	638050	"3-(4-chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione"	"[O-][N+](=O)c1ccc(cc1)c2oc(\C=N\n3c(S)nnc3c4ccc(Cl)cc4)cc2"	0	""	""	2	1	"9570063"	NA
"638066"	638066	"2-N-Methyl-6-thiaellipticinum iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4sc13"	0	"TOP2"	""	5	4	"367888"	NA
"638067"	638067	"benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate"	"CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c2cc3ccccc3[nH]2"	0	""	""	1	1	"367890"	NA
"638068"	638068	"benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate"	"CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c2cc3ccccc3[nH]2"	0	""	""	1	1	"367891"	NA
"638069"	638069	"A-64718"	"CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1"	0	""	""	1	1	"367892"	NA
"638075"	638075	"(E)-2-cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide"	"NC(=O)\C(=C\c1cccc(O)c1O)\C#N"	0	""	""	1	1	"5388677"	NA
"638077"	638077	""	"NC(=O)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	NA	NA	1	1	"499047"	NA
"638080"	638080	"(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide"	"NC(=O)\C(=C\c1cc(O)c(O)c(O)c1)\C#N"	0	""	""	3	1	"5388680"	NA
"638083"	638083	"Tyrphostin 47"	"NC(=S)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	""	""	2	1	"667601"	NA
"638128"	638128	"methoxycoumarin"	"COC1=Cc2ccccc2OC1=O"	0	""	""	1	1	"367929"	NA
"638156"	638156	"malonic acid, p-phenylbenzylidene- (6ci)"	"OC(=O)C(=Cc1ccc(cc1)c2ccccc2)C(=O)O"	0	NA	NA	2	2	"499126"	"6287941"
"638198"	638198	"5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile"	"COc1ccc(Nc2nc(C#N)c(N)s2)cc1"	0	""	""	1	1	"367980"	NA
"638199"	638199	"5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile"	"Nc1sc(Nc2ccc(Cl)cc2)nc1C#N"	0	""	""	2	2	"367981"	NA
"638200"	638200	"8F-900"	"Nc1sc(Nc2ccc(cc2)[N+](=O)[O-])nc1C#N"	0	""	""	2	1	"3769282"	NA
"638201"	638201	"5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile"	"Nc1sc(Nc2cccc3ccccc23)nc1C#N"	0	""	""	1	1	"367983"	NA
"638202"	638202	"N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine"	"Nc1ncnc2sc(Nc3ccccc3)nc12"	0	""	""	1	1	"367984"	NA
"638220"	638220	"N'-[(E)-[4-[2-Cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide"	"COc1ccc(NC(=O)CC(=O)N\N=C\c2ccc(cc2)N(CCC#N)S(=O)(=O)C)cc1"	0	""	""	1	1	"9555827"	NA
"638224"	638224	""	"NNC(=O)\C(=C/c1ccc(cc1)N(CCC#N)CCC#N)\NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]"	0	NA	NA	1	1	"499182"	NA
"638241"	638241	"2-[Bis(2-chloroethyl)amino]-3-methyl-2-oxido-1,3,2-oxazaphosphinan-4-yl diethylcarbamodithioate"	"CCN(CC)C(=S)SC1CCOP(=O)(N(CCCl)CCCl)N1C"	0	""	""	3	2	"368012"	NA
"638260"	638260	"Visoltricin"	"COC(=O)\C=C\c1c(CC=C(C)C)ncn1C"	0	""	""	2	2	"5388713"	NA
"638263"	638263	"Alternariol"	"Cc1cc(O)cc2OC(=O)c3c(O)cc(O)cc3c12"	0	""	""	1	1	"5359485"	NA
"638265"	638265	""	"COc1cccc2C=[N+]3[N-]C(=O[Ni+2]3([OH2+])[O-]c12)N"	0	NA	NA	2	2	"581543"	NA
"638267"	638267	""	"COc1cccc2C=[N+]3[N-]C(=O[Zn+2]3([OH2+])[O-]c12)N"	0	NA	NA	1	1	"581545"	NA
"638272"	638272	""	"COc1cccc2C=[O][Cu+2]3([O]=Cc4cccc(OC)c4[O-]3)[O-]c12"	0	NA	NA	1	1	"499205"	NA
"638278"	638278	"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]3([OH2+])[O-]c12)Nc4ccccc4"	0	""	""	1	1	"135484825"	NA
"638279"	638279	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]3([OH2+])[O-]c12)N"	0	""	""	3	3	"135484826"	NA
"638280"	638280	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc"	"COc1cccc2C=[N+]3[N-]C(=S[Zn+2]3([OH2+])[O-]c12)N"	0	""	""	2	2	"135484827"	NA
"638282"	638282	""	"COc1cccc2C=[N+]3NC(=S[Pd+2]3([ClH-])[O-]c12)N"	0	NA	NA	1	1	"499207"	NA
"638287"	638287	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]3([O-]c12)[n+]4ccccc4)N"	0	""	""	2	1	"135484832"	NA
"638294"	638294	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Pd+2]3([OH2+])([O-]c12)[n+]4ccccc4)N"	0	""	""	1	1	"135484837"	NA
"638300"	638300	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	""	""	2	2	"135484843"	NA
"638302"	638302	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([OH2+])([O-]c12)[n+]5ccccc5c6cccc[n+]46)N"	0	""	""	2	2	"135484845"	NA
"638303"	638303	""	"COc1cccc2C=[N+]3[N-]C(=O[Cu+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	NA	NA	1	1	"581569"	NA
"638304"	638304	"copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h..."	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	NA	NA	5	3	"581570"	NA
"638305"	638305	"1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]34([O-]c12)[n+]5ccccc5c6cccc[n+]46)Nc7ccccc7"	0	""	""	1	1	"135484847"	NA
"638307"	638307	"[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([O-]c12)[n+]5ccccc5c6cccc[n+]46)Nc7ccccc7"	0	""	""	1	1	"135484849"	NA
"638308"	638308	""	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)Nc8ccccc8"	0	NA	NA	2	1	"499215"	NA
"638309"	638309	""	"COc1cccc2C=[N+]3[N-]C(=O[Mn+2]3([OH2+])[O-]c12)c4ccncc4"	0	NA	NA	1	1	"581574"	NA
"638315"	638315	""	"COc1cccc2C=[N+]3[N-]C(=O[U+4]345(=O)(=O)([OH2+])([OH2+])(O=C([N-][N+]4=Cc6cccc(OC)c6[O-]5)c7ccncc7)[O-]c12)c8ccncc8"	0	NA	NA	2	2	"581580"	NA
"638366"	638366	"dichlorobis(3-phenylpentane-2,4-dionato)hafnium(iv)"	"[Cl-][Hf+4]12([Cl-])([O]=C(C)C(C(=[O]1)C)c3ccccc3)[O]=C(C)C(C(=[O]2)C)c4ccccc4"	0	NA	NA	1	1	"499231"	NA
"638371"	638371	"cis-chloro[1,3,5-benzoletricarboxylato(1-)-o-]bis(1-phen..."	"CC1=O[Ti+4]2([ClH-])(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)[O-]C(=O)c5cc(cc(c5)C(=O)[O-])C(=O)[O-]"	0	NA	NA	1	1	"499235"	NA
"638373"	638373	"chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi..."	"[Cl-][Ti+4]12([O]=C(C)CC(=[O]1)c3ccccc3)([O]=C(C)CC(=[O]2)c4ccccc4)[O-]C(=O)C5CCCCC5"	0	NA	NA	1	1	"499237"	NA
"638375"	638375	"cis-benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu..."	"[Cl-][Ti+4]12([O]=C(C)CC(=[O]1)c3ccccc3)([O]=C(C)CC(=[O]2)c4ccccc4)[O-]C(=O)c5ccccc5"	0	NA	NA	1	1	"499239"	NA
"638383"	638383	"Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O]=C3C(=CC(=O)c4ccccc34)[O-]1)([O]=C5C(=CC(=O)c6ccccc56)[O-]2)[O-]C(C)C"	0	""	""	2	2	"368058"	NA
"638385"	638385	"bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3- d..."	"CC1=O[Ti+4]2(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)([O-]C(C(=O)[O-])(c5ccccc5)c6ccccc6)[O-]C(C(=O)[O-])(c7ccccc7)c8ccccc8"	0	""	""	1	1	"24202319"	NA
"638388"	638388	"2-Methoxy-4-(3,4,5-trimethoxybenzyl)phenol"	"COc1cc(Cc2cc(OC)c(OC)c(OC)c2)ccc1O"	0	""	""	1	1	"368064"	NA
"638389"	638389	""	NA	0	NA	NA	2	2	"499251"	NA
"638390"	638390	"(z) 2',3,4,5-tetramethoxystilbene"	"COc1ccccc1\C=C/c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"5388740"	NA
"638391"	638391	"2',3,4,5-tetramethoxybibenzyl"	"COc1ccccc1CCc2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"368066"	NA
"638403"	638403	"(e)3,4,5-trimethoxy-4'-(1-propoxy)stilbene"	"CCCOc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"5388748"	NA
"638404"	638404	"(z)3,4,5-trimethoxy-4'-ethoxystilbene"	"CCOc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"5388749"	NA
"638407"	638407	"(e)methyl-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)..."	"COC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	4	"5388752"	NA
"638408"	638408	"(e) (2-diethylaminoethyl)-3-(4-methoxyphenyl)-2-(3,4,5- ..."	"CCN(CC)CCOC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"5388753"	NA
"638409"	638409	"(e)n-ethyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxypheny..."	"CCNC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	3	"5388754"	NA
"638410"	638410	"(e)n-methyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphen..."	"CNC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	5	4	"5388755"	NA
"638411"	638411	"(z)3,4,5-trimethoxystilbene"	"COc1cc(\C=C/c2ccccc2)cc(OC)c1OC"	0	""	""	2	2	"5388756"	NA
"638432"	638432	"benzo[g][2]benzopyrano[4,3-b]indol-5-one, 5,13-dihydro-1..."	"CN(C)CCCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14"	0	NA	NA	4	2	"499282"	NA
"638433"	638433	""	"CN(C)CCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14"	0	NA	NA	1	1	"499283"	NA
"638434"	638434	""	"O=C1Oc2c(c3ccccc13)n(CCN4CCCCC4)c5c2ccc6ccccc56"	0	NA	NA	2	2	"499284"	NA
"638435"	638435	""	"O=C1Oc2c(c3ccccc13)n(CCCN4CCCCC4)c5c2ccc6ccccc56"	0	NA	NA	1	1	"499285"	NA
"638436"	638436	""	"O=C1Oc2c(c3ccccc13)n(CCN4CCOCC4)c5c2ccc6ccccc56"	0	NA	NA	1	1	"499286"	NA
"638438"	638438	""	"CC(C)N(CCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14)C(C)C"	0	NA	NA	2	1	"499288"	NA
"638441"	638441	""	"O=C1Oc2c(c3ccccc13)n(Cc4nc5ccccc5[nH]4)c6c2ccc7ccccc67"	0	NA	NA	2	2	"499291"	NA
"638462"	638462	"methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate"	"COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)c(C#C)c(C)n1C"	0	""	""	1	1	"5388757"	NA
"638478"	638478	"inostamycin"	"CCCC(O)[C@@]1(CC)CC(C)C(O)(O1)C2(C)C[C@H](C)[C@H](O2)C(CC)C(=O)C(C)[C@@H](O)[C@H](C)C3OC(O)(C(CC)C(=O)O)[C@@H](C)C(O)C3CC"	0	NA	NA	3	3	"499320"	NA
"638479"	638479	"Antineoplastic-638479"	"COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	"368136"	NA
"638480"	638480	"2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanonit..."	"COc1ccc(cc1)C(Cc2cc(OC)c(OC)c(OC)c2)C#N"	0	""	""	1	1	"368137"	NA
"638483"	638483	"(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol"	"COc1ccc(cc1)C(O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"368140"	NA
"638484"	638484	"(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methane"	"COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	6	5	"368141"	NA
"638485"	638485	"(z)3,4,5-trimethoxy-4'-methylstilbene"	"COc1cc(\C=C/c2ccc(C)cc2)cc(OC)c1OC"	0	""	""	5	2	"5388767"	NA
"638486"	638486	"(z) 4-bromo-3',4',5'-trimethoxystilbene"	"COc1cc(\C=C/c2ccc(Br)cc2)cc(OC)c1OC"	0	""	""	2	2	"5388768"	NA
"638487"	638487	"(z) 4-acetoxy-(3,4',5)-trimethoxystilbene"	"COc1ccc(\C=C/c2cc(OC)c(OC(=O)C)c(OC)c2)cc1"	0	""	""	1	1	"5388769"	NA
"638488"	638488	"(z) 4-chloro-3',4',5'-trimethoxystilbene"	"COc1cc(\C=C/c2ccc(Cl)cc2)cc(OC)c1OC"	0	""	""	2	2	"5388770"	NA
"638491"	638491	"(e) 4-.tert.butyldimethylsilyloxy-3,4',5-trimethoxystilbene"	"COc1ccc(\C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1"	0	""	""	1	1	"5388773"	NA
"638492"	638492	"(z) 3,3',4,5-tetramethoxystilbene"	"COc1cccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c1"	0	""	""	1	1	"5388774"	NA
"638493"	638493	"(e) 4-acetoxy-3,4',5-trimethoxystilbene"	"COc1ccc(\C=C\c2cc(OC)c(OC(=O)C)c(OC)c2)cc1"	0	""	""	1	1	"5388775"	NA
"638494"	638494	"(e) 3,4,5-trimethoxy-4'-methylstilbene"	"COc1cc(\C=C\c2ccc(C)cc2)cc(OC)c1OC"	0	""	""	3	1	"5388776"	NA
"638497"	638497	"(z) 4-acetoxy-3',4',5'-trimethoxystilbene"	"COc1cc(\C=C/c2ccc(OC(=O)C)cc2)cc(OC)c1OC"	0	""	""	1	1	"5388778"	NA
"638498"	638498	"3,4,4',5-tetramethoxybenzophenone"	"COc1ccc(cc1)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	2	"368149"	NA
"638499"	638499	"(z) 3,4,4',5-tetramethoxystilbene"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"5388779"	NA
"638534"	638534	"benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxo- m..."	"Cc1occc1C(=S)Nc2ccc(Cl)c(c2)C(=O)OCC3CC3"	0	""	""	1	1	"3000930"	NA
"638623"	638623	"(Z)-3-(2,6-dichlorophenyl)-2-phenyl-prop-2-enenitrile"	"Clc1cccc(Cl)c1\C=C(/C#N)\c2ccccc2"	0	""	""	2	2	"5388794"	NA
"638624"	638624	"3-(2-Methoxyphenyl)-2-phenylacrylonitrile"	"COc1ccccc1\C=C(/C#N)\c2ccccc2"	0	""	""	1	1	"5388795"	NA
"638632"	638632	"J3.537.385C"	"N#C\C(=C/c1cc2ccccc2c3ccccc13)\c4ccccc4"	0	""	""	2	2	"5388799"	NA
"638634"	638634	"4-piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phen..."	"O=C(\C=C\c1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	"499408"	NA
"638635"	638635	"propyl-1-aminium, 3-[3,5-bis(phenylmethylene)-4-oxo- pip..."	"C[N+](C)(C)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	3	3	"5388801"	NA
"638636"	638636	"LS-16948"	"CC(=O)CC[N+](C)(C)C"	0	""	""	7	5	"35720"	NA
"638643"	638643	"3-piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]-"	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)cc1Cl"	0	NA	NA	3	2	"499417"	NA
"638644"	638644	""	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)C(=O)C=C)cc1Cl"	0	NA	NA	1	1	"499418"	NA
"638645"	638645	""	"CN(C)CCC(=O)N1C\C(=C/c2ccc(Cl)c(Cl)c2)\C(=O)\C(=C\c3ccc(Cl)c(Cl)c3)\C1"	0	NA	NA	4	4	"499419"	NA
"638646"	638646	"7-Hydroxystaurosporine"	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)C(=O)CCN4CCOCC4)cc1Cl"	0	"PK:STK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	3	2	"-1"	NA
"638718"	638718	"ecteinascidin 729"	"COc1cc2c(CCN[C@@]23CS[C@@H]4C5C6NC(Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5C(COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O"	0	NA	NA	3	1	"499464"	NA
"638725"	638725	"1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylic acid"	"NC(=O)NC1C(N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O"	0	""	""	1	1	"368269"	NA
"638728"	638728	"1,2-diamino-cyclohexane-pt-seo3"	"O=[Se]1[O-][Pt+2]2(NC3CCCCC3N2)[O-]1"	0	NA	NA	2	2	"581586"	NA
"638736"	638736	"chlorotris(chinoline-8-olato)titanium(iv)-trihydrochloride"	"[Cl-].[ClH-][Ti+4]12([O-]c3cccc4cccnc34)([O-]c5cccc6ccc[n+]1c56)[O-]c7cccc8ccc[n+]2c78"	0	NA	NA	3	2	"581588"	NA
"638737"	638737	"Diisopropoxybis(chinoline-8-olato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O-]C(C)C)([O-]c3cccc4ccc[n+]1c34)[O-]c5cccc6ccc[n+]2c56"	0	""	""	2	2	"24202322"	NA
"638738"	638738	"Diisopropoxybis(tropolonato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O]=C3C=CC=CC=C3[O-]1)([O]=C4C=CC=CC=C4[O-]2)[O-]C(C)C"	0	""	""	1	1	"368274"	NA
"638748"	638748	"Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride"	"c1cnc2c(cccc2c1)[O-][Ti+4]([O-]c3cccc4cccnc34)([O-]c5cccc6cccnc56)[O-]c7cccc8cccnc78"	0	""	""	3	2	"368279"	NA
"638752"	638752	"Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)"	"CC[O-][Ti+4]([O-]CC)([O-]c1ccc2cc(ccc2c1)N=O)[O-]c3ccc4cc(ccc4c3)N=O"	0	""	""	2	1	"368283"	NA
"638753"	638753	"dichlorobis(n,n-dimethyl-5-amino-2-nitroso-phenolato) ti..."	"[Cl-][Ti+4]([Cl-])([O-]c1cc(ccc1N=O)N(C)C)[O-]c2cc(ccc2N=O)N(C)C"	0	NA	NA	1	1	"499486"	NA
"638788"	638788	"2-N-Methyl-6-oxaellipticinium acetate"	"Cc1c2oc3ccccc3c2c(C)c4c[n+](C)ccc14"	0	""	""	3	3	"10018975"	NA
"638834"	638834	"nitratobis(pyridinethiosemicarbazone-s,n1)bismuth(iii)"	"NC1=S[Bi+3]234(S=C(N)[N-][N+]2=Cc5cccc[n+]35)[N+](=Cc6cccc[n+]46)[N-]1.[O-][N+](=O)[O-]"	0	NA	NA	1	1	"581596"	NA
"638842"	638842	"Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	"CC[O-][Ti+4]12([O]=C3C(=CC(=O)c4ccccc34)[O-]1)([O]=C5C(=CC(=O)c6ccccc56)[O-]2)[O-]CC"	0	""	""	2	2	"368297"	NA
"638844"	638844	"Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)"	"CC[O-][Ti+4]12([O-]c3cccc4ccc(C)nc34)([O-]c5cccc6ccc(C)[n+]1c56)[O-]c7cccc8ccc(C)[n+]2c78"	0	""	""	2	2	"24202327"	NA
"638850"	638850	"7-Hydroxystaurosporine"	"CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35"	0	"PK:STK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	4	2	"72271"	"112953114"
"638855"	638855	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	3	2	"368307"	NA
"638856"	638856	""	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(NC(=O)N(CCCl)N=O)C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	2	2	"499510"	NA
"639015"	639015	""	"NCCCN(CCCN)CCCNCc1c2ccccc2c(CNCCCN(CCCN)CCCN)c3ccccc13"	0	NA	NA	1	1	"499517"	NA
"639016"	639016	""	"NCCNCc1c2ccccc2c(CNCCN)c3ccccc13"	0	NA	NA	1	1	"499518"	NA
"639094"	639094	"bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] ..."	"O=C1C2=C(c3ccccc13)[O-][Ni+2]4(N(C(C5=C(c6ccccc6C5=O)[O-]4)c7ccccc7)c8ccccc8)N(C2c9ccccc9)c%10ccccc%10"	0	""	""	1	1	"24202332"	NA
"639174"	639174	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CN)cccc5nc34)C2=O"	0	"TOP1"	""	2	2	"-1"	NA
"639176"	639176	"(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl"	"CC[C@@]1(OC(=O)CN(C)C)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	""	""	1	1	"11969927"	NA
"639186"	639186	"Raltitrexed"	"CN(Cc1ccc2N=C(C)NC(=O)c2c1)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"Ds|DHFR|TYMS"	"FDA approved"	3	3	"135400182"	"112887680"
"639187"	639187	"landomycin a"	"CC1OC(CCC1O)OC2CC(OC3C(O)CC(OC4CCC(OC5CC(OC6C(O)CC(Oc7ccc(O)c8C(=O)C9=C([C@H](O)Cc%10cc(C)cc(O)c9%10)C(=O)c78)OC6C)OC(C)C5O)OC4C)OC3C)OC(C)C2O"	0	""	""	6	4	"368342"	NA
"639205"	639205	"N',N'-dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	"CN(C)CCCNc1ccnc2cccc(c12)[N+](=O)[O-]"	0	""	""	2	1	"368343"	NA
"639207"	639207	""	"COc1ccc(c2c(NCCCN(C)C)ccnc12)[N+](=O)[O-]"	0	NA	NA	2	2	"499549"	NA
"639219"	639219	"N,N'-dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide"	"C(CCCNc1cccc2ccccc12)CCNc3cccc4ccccc34"	0	""	""	1	1	"368360"	NA
"639223"	639223	""	"COC(=O)[C-]1(Cc2ccc3cccc4[O-][Pd+2]1([n+]5cc([N+](=O)[O-])n(CCO)c5C)[n+]2c34)C(=O)OC"	0	NA	NA	1	1	"581610"	NA
"639230"	639230	"2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one"	"CC1C([O-][B+3]2([O-]C(=O)C[N+]12C)[c-]3ccc(Br)cc3)c4ccccc4"	0	""	""	1	1	"494957"	NA
"639364"	639364	"2,9-Dimethylellipticinium acetate"	"Cc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	7	6	"10472068"	NA
"639365"	639365	"1-(3-diethylamino-2-hydroxypropylamine)-4-(3-chloro-2- h..."	"CCN(CC)CC(O)CNc1ccc(NCC(O)CCl)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	4	4	"368387"	NA
"639366"	639366	"1-[[3'-(diethylamino)-2'-hydroxypropyl]amino]-4- [(2'',3..."	"CCN(CC)CC(O)CNc1ccc(NCC2CO2)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	4	4	"5388837"	"144181124"
"639390"	639390	"4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide"	"CCOP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	2	1	"368399"	NA
"639391"	639391	"4-Chloro-3-methyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide"	"CC(C)OP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	1	1	"368400"	NA
"639424"	639424	"Tridecylboronic acid"	"CCCCCCCCCCCCCB(O)O"	0	""	""	1	1	"368422"	NA
"639443"	639443	"3-[4'-chloro-1-naphthyl]phthalide"	"Clc1ccc(C2OC(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"368427"	NA
"639498"	639498	"cyclopentanone, 2-[(dimethylamino)methyl]-5-(2-methyl- p..."	"CC(C)\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	3	3	"21141929"	NA
"639499"	639499	"(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	2	2	"54608095"	NA
"639500"	639500	"(2E)-2-(2-methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)\C=C\1/CCC(CN2CCCC2)C1=O"	0	""	""	2	2	"54598738"	NA
"639501"	639501	"cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-..."	"CCCC\C=C\1/CCC(CN2CCCCC2)C1=O"	0	""	""	3	1	"54608096"	NA
"639503"	639503	"cyclopentanone, 2-hexylidene-5-[(4-morpholinyl)methyl]-,..."	"CCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	4	4	"21141930"	NA
"639504"	639504	"cyclopentanone, 2-[(dimethylamino)methyl]-5-octylidene-,..."	"CCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	3	2	"6516817"	NA
"639505"	639505	"cyclopentanone, 2-[(4-morpholinyl)methyl]-5-nonylidene, ..."	"CCCCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	3	2	"54612513"	NA
"639506"	639506	"2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride"	"CN(C)CC1CCC(=C(C)C)C1=O"	0	""	""	1	1	"368456"	NA
"639507"	639507	"cyclopentanone, 2-(1-methylethylidene)-5-(4-morpholinyl-..."	"CC(=C1CCC(CN2CCOCC2)C1=O)C"	0	""	""	3	3	"368458"	NA
"639508"	639508	"2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"O=C1C(CN2CCCCC2)CCC1=C3CCCC3"	0	""	""	1	1	"368460"	NA
"639509"	639509	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[2-[4- (2-me..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	3	2	"21141933"	NA
"639510"	639510	"(2E)-2-[2-(3-bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CC(\C=C\1/CCC(CN(C)C)C1=O)c2cccc(Br)c2"	0	""	""	2	2	"6516820"	NA
"639511"	639511	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-methoxy-..."	"COc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1"	0	""	""	3	3	"21141935"	NA
"639512"	639512	"cyclopentanone, 2-[(4-methoxyphenyl)methylene]-5-[(4- mo..."	"COc1ccc(\C=C\2/CCC(CN3CCOCC3)C2=O)cc1"	0	""	""	3	2	"50988775"	NA
"639513"	639513	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3-methoxy-..."	"COc1cccc(\C=C\2/CCC(CN(C)C)C2=O)c1"	0	""	""	4	2	"21141937"	NA
"639514"	639514	"cyclopentanone, 2-[(dimethylamino)methyl]-5- [[4-[(propi..."	"CCC(=O)OCOc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1"	0	""	""	4	2	"50988761"	NA
"639515"	639515	"cyclopentanone, 2-[(dimethylamino)methyl]-5-(1,3- benzod..."	"CN(C)CC1CC\C(=C/c2ccc3OCOc3c2)\C1=O"	0	""	""	3	2	"21141939"	NA
"639516"	639516	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3,4- dimet..."	"COc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1OC"	0	""	""	4	2	"21141940"	NA
"639517"	639517	"cyclopentanone, 2-[(4-chlorophenyl)methylene]-5-[(4- mor..."	"Clc1ccc(\C=C\2/CCC(CN3CCOCC3)C2=O)cc1"	0	""	""	4	4	"50988453"	NA
"639518"	639518	"cyclopentanone, 2-[[4-(benzoyloxy)-3-methoxyphenyl] meth..."	"COc1cc(\C=C\2/CCC(CN(C)C)C2=O)ccc1OC(=O)c3ccccc3"	0	""	""	3	3	"6516825"	NA
"639519"	639519	"(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1CC\C(=C/c2ccc(Cl)c(Cl)c2)\C1=O"	0	""	""	2	2	"50988456"	NA
"639520"	639520	"cyclohexanone, 2-[(2-methoxyphenyl)methylene]-5-[(4- mor..."	"COc1ccccc1\C=C\2/CCC(CN3CCOCC3)C2=O"	0	""	""	3	3	"6516827"	NA
"639521"	639521	"cyclopentanone, 2-[(dimethylamino)methyl]-5-[(2-methoxy-..."	"COc1ccccc1\C=C\2/CCC(CN(C)C)(Cc3ccccc3)C2=O"	0	""	""	3	3	"6516829"	NA
"639527"	639527	"(5E)-2-[(dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride"	"COc1ccc(\C=C\2/CCC(C)(CN(C)C)C2=O)cc1"	0	""	""	1	1	"6516839"	NA
"639531"	639531	"(5E)-2-[(dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"COc1cc(\C=C\2/CCC(C)(CN(C)C)C2=O)cc(OC)c1OC"	0	""	""	2	1	"6516845"	NA
"639533"	639533	"(5E)-5-[(4-chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride"	"CN(C)CC1(CC=C)CC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	""	""	2	1	"6516849"	NA
"639534"	639534	"(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride"	"CN(C)CC1(CC=C)CC\C(=C/c2ccc3OCOc3c2)\C1=O"	0	""	""	1	1	"6516851"	NA
"639536"	639536	"(5E)-2-[(dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"CCC1(CN(C)C)CC\C(=C/c2ccc(OC)cc2)\C1=O"	0	""	""	1	1	"6516853"	NA
"639537"	639537	"(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride"	"CCC1(CN(C)C)CC\C(=C/c2ccc(OC)c(OC)c2)\C1=O"	0	""	""	2	1	"6516854"	NA
"639539"	639539	"(5E)-2-[(4-ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccccc3OC)\C2=O)cc1"	0	""	""	2	2	"5915890"	NA
"639540"	639540	"(5E)-2-[(4-chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one"	"COc1ccccc1\C=C\2/CCC(CNc3ccc(Cl)cc3)C2=O"	0	""	""	2	2	"6516858"	NA
"639541"	639541	"cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- h..."	"Oc1ccc(\C=C\2/CCC(CNc3ccc(Cl)cc3)C2=O)cc1"	0	""	""	3	2	"5930524"	NA
"639542"	639542	"(2E)-2-[(4-chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	2	2	"6091065"	NA
"639543"	639543	"cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- c..."	"Clc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	3	2	"5927311"	NA
"639595"	639595	"chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane..."	"CC1=O[Ti+4]2([ClH-])(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)[O-]C(=O)c5ccc(cc5)C(=O)[O-]"	0	NA	NA	1	1	"499677"	NA
"639598"	639598	"Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)"	"CC[O-][Ti+4]([O-]CC)([O-]c1ccccc1\C=N\c2ccccc2)[O-]c3ccccc3\C=N\c4ccccc4"	0	""	""	1	1	"368529"	NA
"639616"	639616	"butanoic acid, 4-hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dio..."	"[Na+].OC(=O)CCC(=C1S(=O)(=O)OCCOS1(=O)=O)O"	0	NA	NA	2	1	"499694"	NA
"639617"	639617	"2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1(Cc2ccccc2)CCC(Cc3ccccc3)C1=O"	0	""	""	4	2	"368538"	NA
"639621"	639621	"(5E)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"COc1ccccc1\C=C\2/CCC(CCN(C)C)(C3=CCCC3)C2=O"	0	""	""	1	1	"6516861"	NA
"639624"	639624	"(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride"	"COc1ccc(\C=C\2/CCC(CCN(C)C)(C3=CCCC3)C2=O)cc1Br"	0	""	""	1	1	"10027011"	NA
"639645"	639645	""	"CC1OC(CC2C=CCc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC(NC(=O)C(F)(F)F)C1O"	0	NA	NA	1	1	"499716"	NA
"639655"	639655	"3'-deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydr..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(C(O)C(C)O5)N6CCOCC6)c4c(O)c3C(=O)c12)C(O)CO"	0	NA	NA	3	1	"581629"	NA
"639659"	639659	"n-(1-cyano-2-methoxyethyl)doxorubicin, hemihydrate"	"COCC(NC1CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O)C#N"	0	""	""	3	3	"438492"	NA
"639661"	639661	"2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione"	"CC(C)C1=Cc2ccc3CCCCc3c2C(=O)C1=O"	0	""	""	3	2	"368568"	NA
"639662"	639662	"Miltirone"	"CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O"	0	""	""	2	1	"160142"	NA
"639683"	639683	"4-Chloro-3-cinnolinol"	"ClC1=C2C=CC=CC2=NNC1=O"	0	""	""	1	1	"368587"	NA
"639694"	639694	"Combretastatin A-4, sodium salt"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O"	0	""	""	3	3	"54608929"	NA
"639714"	639714	"4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-"	"O=C1NC2C3CC(OCc4ccccc4)(OCc5ccccc5)C2OC3O1"	0	""	""	1	1	"368605"	NA
"639723"	639723	"Benzyl 6,6-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate"	"O=C(OCc1ccccc1)N2N=NC3C4CC(OCc5ccccc5)(OCc6ccccc6)C(O4)C23"	0	""	""	1	1	"368615"	NA
"639734"	639734	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3cc(Br)cc(Br)c23)c4ccccc4"	0	NA	NA	1	1	"499780"	NA
"639736"	639736	"[3,4,5-Triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3ccccc23)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	3	2	"368628"	NA
"639741"	639741	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=S)c3ccccc23)c4ccccc4"	0	NA	NA	2	2	"499787"	NA
"639743"	639743	"[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3ccccc23)c4ccccc4"	0	""	""	1	1	"368630"	NA
"639749"	639749	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)N(C(=O)c3cc(Br)cc(Br)c23)c4ccccc4"	0	NA	NA	1	1	"499795"	NA
"639752"	639752	"Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate"	"CCOC(=O)c1c(oc2c1ccc3nc4nonc4nc23)C(F)(F)F"	0	""	""	2	1	"368639"	NA
"639754"	639754	"carbamic acid, n-[6-[(1h-pyrrol-1-yl)methyl]- 1-benzimid..."	"CCOC(=O)Nc1nc2ccc(Cn3cccc3)cc2[nH]1"	0	""	""	6	3	"368640"	NA
"639790"	639790	"1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one"	"NCCN1C=CC(=NC1=O)NC(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"368672"	NA
"639796"	639796	"1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one"	"O=C1N=C(NC(c2ccccc2)(c3ccccc3)c4ccccc4)C=CN1CCNCCN5C=CC(=NC5=O)NC(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	"368678"	NA
"639819"	639819	"Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate"	"CC(C)(C)OC(=O)N1N=NC2C3OC(CC3=O)C12"	0	""	""	1	1	"368687"	NA
"639825"	639825	"[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate"	"CCOC(=O)NC1C2CC(=O)OC(O2)C1OC(=O)C"	0	""	""	2	1	"368693"	NA
"639828"	639828	"antineoplastic-639828"	"Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(Cl)c2"	0	""	""	9	2	"368696"	"134742260"
"639829"	639829	"Benzoylphenylurea"	"CN(C)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	7	5	"368697"	"134742191"
"639831"	639831	"benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dion..."	"COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C8O[C@@H](OC28)c9ccccc9)C1O"	0	NA	NA	6	6	"499863"	NA
"639832"	639832	"benzo[h][1]benzopyrano[5,4,3-cde][1] benzopyran-5,12-dio..."	"CC1OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C8O[C@H](OC28)c9ccccc9)C(O)C(O)C1O"	0	NA	NA	3	2	"499864"	NA
"639837"	639837	""	"ClCCC1(CC(CN2CCOCC2)C(=O)O1)c3ccccc3"	0	NA	NA	1	1	"499865"	NA
"639896"	639896	"8-Bromo-2-phenyl-1-aza-azulene"	"Brc1ccccc2cc(nc12)c3ccccc3"	0	""	""	5	2	"368742"	"121505495"
"639900"	639900	"3-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzisoxazole"	"C1CC2CC1C3ON=C(C23)c4ccccc4"	0	""	""	1	1	"368746"	NA
"639906"	639906	"Bionet2_001484"	"COC(=O)C1CC(=NO1)c2ccc(Cl)cc2"	0	""	""	1	1	"368752"	NA
"639912"	639912	"3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole"	"[O-][N+](=O)c1cccc(c1)C2=NOC3CCCC23"	0	""	""	1	1	"368758"	NA
"639966"	639966	"Perifosine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	4	3	"148177"	"157716524"
"639976"	639976	"cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)- pheny..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCOCC3)C2=O"	0	""	""	3	3	"21141970"	NA
"639977"	639977	"(2E)-2-[2-[4-(2-methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCCC3)C2=O"	0	""	""	2	2	"54608909"	NA
"639978"	639978	"cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)phenyl]..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCCCC3)C2=O"	0	""	""	3	3	"54605003"	NA
"639979"	639979	"cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-,..."	"CCCCCC\C=C\1/CCC(CN2CCCC2)C1=O"	0	""	""	2	2	"54608101"	"162190887"
"639980"	639980	"3-[(Dimethylamino)methyl]-1,1'-bi(cyclopentyliden)-2-one"	"CN(C)CC1CCC(=C2CCCC2)C1=O"	0	""	""	2	2	"368780"	NA
"639981"	639981	"(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"O=C1C(CN2CCOCC2)CC/C/1=C\c3ccc4OCOc4c3"	0	""	""	4	3	"6516904"	NA
"639985"	639985	"(2E)-2-butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CC\C(=C\1/CCC(CN(C)C)C1=O)\C"	0	""	""	1	1	"54608547"	NA
"639986"	639986	"(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC\C(=C\1/CCC(CN2CCOCC2)C1=O)\C"	0	""	""	1	1	"50988763"	NA
"640071"	640071	"pyrrolo[2,3-b]indole-2-one, 1,2,3,3a-tetrahydro-5-hydrox..."	"CN1C2N(C)c3ccc(O)cc3C2(C)CC1=O"	0	""	""	5	2	"368806"	NA
"640076"	640076	"hydroxylureal-organogermanium compound"	"NC(=O)NO.O[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)O"	0	""	""	2	2	"6331027"	NA
"640080"	640080	"1h-imidazole-5-one, 2-(2-chloro-5-nitrophenyl)- 4-[[4-[b..."	"COc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3C)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	5	2	"6477148"	NA
"640081"	640081	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile"	"Cc1cc(ccc1\C=C\2/N=C(N(C2=O)c3cccc(Cl)c3)c4cc(ccc4Cl)[N+](=O)[O-])N(CCC#N)CCC#N"	0	""	""	1	1	"6477149"	NA
"640083"	640083	"N,N-bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide"	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(I)ccc13"	0	""	""	2	2	"54608102"	NA
"640084"	640084	"4-[(E)-2-(6-bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide"	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(Br)ccc13"	0	""	""	2	2	"54600726"	NA
"640085"	640085	"quinolinium, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl] et..."	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(NC(=O)\C=C\c4ccccc4)ccc13"	0	""	""	3	3	"54608103"	NA
"640168"	640168	"2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione"	"CCC1(CCN2C(=O)c3ccccc3C2=O)CC(=C)C(=O)O1"	0	""	""	1	1	"368843"	NA
"640180"	640180	"methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate"	"COC(=O)\C(=C\1/NC(=O)c2ccccc12)\C#N"	0	""	""	1	1	"3004238"	NA
"640187"	640187	"ZINC;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide"	"[I-].C[n+]1ccc(cc1)C2=C3C=CC4=C(C5=[N+]6C(=C(c7cc[n+](C)cc7)c8ccc9[nH-]8[Zn+2]6([NH-]34)[N+]%10=C2C=CC%10=C9c%11cc[n+](C)cc%11)C=C5)c%12cc[n+](C)cc%12"	0	""	""	1	1	"368851"	NA
"640188"	640188	"4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide"	"O=S1OC(c2ccccc2)(c3ccccc3)C(O1)(c4ccccc4)c5ccccc5"	0	""	""	2	2	"368852"	NA
"640190"	640190	"1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol"	"COc1ccccc1C(O)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4OC"	0	""	""	2	1	"368855"	NA
"640192"	640192	"6-phenylthio-7h-benzocycloheptene-1,4,7-trione"	"O=C1C=CC2=C(C=C1Sc3ccccc3)C(=O)C=CC2=O"	0	""	""	4	3	"368857"	NA
"640199"	640199	"Antineoplastic-D640199"	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4cccc(Cl)c4n(C5OC(CO)C(OC)C(O)C5O)c3c6[nH]c7c(Cl)cccc7c26"	0	""	""	3	2	"368860"	NA
"640212"	640212	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccccc3)c4occc4)C#N"	0	NA	NA	2	1	"500030"	NA
"640213"	640213	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccc(C)cc3)c4occc4)C#N"	0	NA	NA	2	1	"500031"	NA
"640214"	640214	""	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	NA	NA	1	1	"500032"	NA
"640215"	640215	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccc(N)cc3)c4occc4)C#N"	0	NA	NA	1	1	"500033"	NA
"640218"	640218	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccccc3)c4occc4)C#N"	0	NA	NA	1	1	"500036"	NA
"640220"	640220	""	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	NA	NA	1	1	"500038"	NA
"640226"	640226	"[4,5-Dibenzoyloxy-2-[3-cyano-4-(2-furyl)-2-oxo-6-(p-tolyl)-1-pyridyl]tetrahydrofuran-3-yl] benzoate"	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(OC(=O)c4ccccc4)C(OC(=O)c5ccccc5)C3OC(=O)c6ccccc6)c7occc7"	0	""	""	1	1	"368881"	NA
"640322"	640322	"[(aminomethyl)(2-aminoethyl)dimethylsilane] platinum(iv)..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NCC[Si](C)(C)CN1"	0	NA	NA	4	4	"581638"	NA
"640326"	640326	"2,7,17-Trimethyl-11-methylidene-3,15-dioxapentacyclo[8.8.0.02,4.05,9.014,18]octadeca-5(9),14(18),16-trien-8-one"	"CC1CC2=C(C3C(c4c(C)coc4CCC3=C)C5(C)OC25)C1=O"	0	""	""	1	1	"368921"	NA
"640328"	640328	"Ternatin"	"COC1=C(Oc2c(OC)c(OC)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	NA	NA	1	1	"500087"	NA
"640334"	640334	"culmorin"	"CC1(C)CCCC2(C)C3C(O)CC2(C)C(O)C13"	0	""	""	1	1	"368926"	NA
"640335"	640335	"2-propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-meth..."	"Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1\C(=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C=C\c4ccc5OCOc5c4"	0	""	""	4	1	"135488945"	NA
"640336"	640336	"N-[(E)-[(E)-3-(3,4-Dimethoxyphenyl)-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide"	"COc1ccc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(cc4)[N+](=O)[O-])nc3C)cc1OC"	0	""	""	1	1	"135499148"	NA
"640337"	640337	"N-[(E)-[(E)-3-(3-Hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]propanamide"	"CCC(=O)N\N=C(/C=C/c1cccc(O)c1)\c2sc(Nc3ccc(C)cc3[N+](=O)[O-])nc2C"	0	""	""	1	1	"135499149"	NA
"640338"	640338	"N-[(E)-[(E)-3-[4-(Dimethylamino)phenyl]-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide"	"CN(C)c1ccc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(cc4)[N+](=O)[O-])nc3C)cc1"	0	""	""	1	1	"135499150"	NA
"640340"	640340	""	"COc1cc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(Cl)c(Cl)c4)nc3C)ccc1O"	0	NA	NA	1	1	"500099"	NA
"640341"	640341	"5-[(E)-C-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitrophenyl)-1,3-thiazol-2-amine"	"Cc1ccc(Nc2nc(C)c(s2)\C(=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C=C\c4ccc5OCOc5c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"135499152"	NA
"640347"	640347	""	"CS\C(=N/c1ccccc1Cl)\NC(=O)c2ccc(Br)cc2"	0	NA	NA	1	1	"500106"	NA
"640351"	640351	"N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)C(=O)C2NC(=S)NC2=O)C(F)(F)F"	0	""	""	1	1	"3004248"	NA
"640355"	640355	"N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide"	"OC1=C(NNS(=O)(=O)c2ccccc2)C(OC1=N)c3cccc(Cl)c3"	0	""	""	3	3	"5838810"	NA
"640359"	640359	"thiourea, n-[(4-bromophenyl)carbonyl]- n'-(2,6-diethylph..."	"CCc1cccc(CC)c1NC(=S)NC(=O)c2ccc(Br)cc2"	0	""	""	2	1	"3004250"	NA
"640391"	640391	"cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, cis-, d..."	"CN(C)C[C@@H]1CC[C@H](CN(C)C)C1=O"	0	NA	NA	4	3	"500127"	NA
"640394"	640394	"[(2Z)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide"	"C[N+](C)(C)CC1CCC/C/1=N/O"	0	""	""	1	1	"6516931"	NA
"640439"	640439	"3-methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide"	"COC(=O)C1=CCS(=O)(=O)C1"	0	""	""	1	1	"368979"	NA
"640440"	640440	"1-Bromo-2-iodo-trans-2-butene"	"C\C=C(\I)/CBr"	0	NA	NA	1	1	"500137"	NA
"640499"	640499	"ethanol, 2-[4-(2,2':6',2\"-terpyridin-4'-yl)phenoxy]-"	"OCCOc1ccc(cc1)c2cc(nc(c2)c3ccccn3)c4ccccn4"	0	""	""	5	3	"368990"	NA
"640500"	640500	"Neuro_000310"	"OCCCCCCOc1ccc(cc1)c2cc(nc(c2)c3ccccn3)c4ccccn4"	0	""	""	3	3	"368991"	NA
"640506"	640506	"3,8,13,18-pentaazapentacosane pentahydrochloride"	"CCNCCCCNCCCCNCCCCNCCCCNCC"	0	NA	NA	5	2	"500156"	NA
"640519"	640519	"3'-Carboxypropionyl-(Z)-combretastatin A-4"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCC(=O)O"	0	NA	NA	2	2	"500157"	NA
"640520"	640520	"10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one"	"O=C1CCN2C(=Nc3cccc4cccc2c34)N1"	0	""	""	1	1	"369000"	NA
"640528"	640528	"7J-621S"	"Clc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1"	0	""	""	2	1	"6290868"	NA
"640530"	640530	"ZX-AT026954"	"Clc1ccccc1\C=C\C(=O)c2cccc3ccccc23"	0	""	""	1	1	"5377479"	NA
"640531"	640531	""	"Clc1ccc(C(=O)\C=C\c2ccc(Cl)c(Cl)c2)c(Cl)c1"	0	NA	NA	2	1	"500169"	NA
"640534"	640534	"1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one"	"Clc1ccccc1C(=O)\C=C\c2cccc3ccccc23"	0	""	""	1	1	"5921231"	NA
"640547"	640547	""	"Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)\C=C\c3ccccc3[N+](=O)[O-]"	0	NA	NA	1	1	"500185"	NA
"640552"	640552	"N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide"	"Cc1nc(N)sc1C(=O)\C=C\c2ccc(\C=C\C(=O)c3sc(NC(=O)CCCCCCCCC(=O)Nc4nc(C)c(s4)C(=O)\C=C\c5ccc(\C=C\C(=O)c6sc(N)nc6C)cc5)nc3C)cc2"	0	""	""	1	1	"6302566"	NA
"640556"	640556	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one"	"Cc1nc(sc1C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	2	2	"5934332"	NA
"640559"	640559	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one"	"Cc1nc(sc1C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"6035704"	NA
"640575"	640575	"(E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2sc(nc2C)c3cccnc3)cc1"	0	""	""	1	1	"6063589"	NA
"640582"	640582	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5)ccc1O"	0	""	""	1	1	"6055758"	NA
"640583"	640583	"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one"	"Cc1ccc(\C=C\C(=O)c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5)cc1"	0	""	""	1	1	"5864101"	NA
"640584"	640584	"Q22579236"	"Cc1nc(sc1C(=O)\C=C\c2ccc(Cl)c(Cl)c2)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"5351382"	NA
"640620"	640620	"2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine"	"CC1=CC(C)(C)N=C2SC(=NN12)c3ccc(Cl)cc3"	0	""	""	1	1	"369063"	NA
"640624"	640624	"NCIMech_000349"	"CC1=CC(C)(C)N=C2SC(=NN12)c3ccc(N)cc3"	0	""	""	2	1	"369067"	NA
"640625"	640625	"3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine"	"CC1=Nn2c(NC(C)(C)C1)nnc2c3ccccc3Cl"	0	""	""	1	1	"369068"	NA
"640630"	640630	"1-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine"	"Cc1ccccc1SC(\C=C\NNC2=NN=C(C(N2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"5916893"	NA
"640632"	640632	"1-[2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]-3-phenylthiourea"	"S=C(Nc1ccccc1)Nc2ccccc2SC(\C=C\NNC3=NN=C(C(N3)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"5924617"	NA
"640636"	640636	"N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(\N=C\C=C\c2ccccc2)c3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	1	1	"9555833"	NA
"640644"	640644	"[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate"	"Nc1oc(nc1C#N)C2OC(COC(=O)c3ccccc3)C(OC(=O)c4ccccc4)C2OC(=O)c5ccccc5"	0	""	""	1	1	"369087"	NA
"640648"	640648	"6-Bromo-3-phenyl-2-[(phenylamino)methyl]quinazolin-4(3H)-one"	"Brc1ccc2N=C(CNc3ccccc3)N(C(=O)c2c1)c4ccccc4"	0	""	""	2	2	"369091"	NA
"640650"	640650	"6-Bromo-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one"	"Cc1ccccc1N2C(=Nc3ccc(Br)cc3C2=O)CCl"	0	""	""	2	1	"369093"	NA
"640655"	640655	"3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4(3H)-one"	"NN1C(=Nc2c(Br)cc(Br)cc2C1=O)CCCl"	0	""	""	2	1	"369098"	NA
"640658"	640658	"(6-Bromo-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl 2-hydroxybenzoate"	"Oc1ccccc1C(=O)OCC2=Nc3ccc(Br)cc3C(=O)N2c4ccccc4"	0	""	""	1	1	"369101"	NA
"640672"	640672	"N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Cc1ccccc1N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	2	1	"369124"	NA
"640674"	640674	"S-Phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]-3-phenylsulfanylpropanethioate"	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)NC(C(Sc2ccccc2)c3ccc(cc3)N(CCC#N)CCC#N)C(=O)Sc4ccccc4"	0	""	""	2	2	"369126"	NA
"640675"	640675	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"CCOc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	1	1	"5935964"	NA
"640680"	640680	"N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"COc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccccc3Cl)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"369132"	NA
"640682"	640682	"(E)-1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one"	"CC(C)(CN1CCCCC1)C(=O)\C=C\c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"6474493"	NA
"640683"	640683	"1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride"	"COc1ccc(\C=C\C(=O)C(C)(C)CN2CCCCC2)cc1"	0	""	""	1	1	"6474494"	NA
"640688"	640688	"tetracarboxyphthalocyanine-gadolinium"	"[K+].[O-]C(=O)c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9cc(ccc9C%10=[N+]8[Gd+3]57[NH-]3C(=N%10)c2c1)C(=O)[O-])c%11ccc(cc6%11)C(=O)[O-])c%12ccc(cc4%12)C(=O)[O-]"	0	NA	NA	2	1	"500295"	NA
"640735"	640735	"3-(4-methoxy-2-methylphenyl)naphthol [2,1-c]furan-1(3h)-one"	"COc1ccc(C2OC(=O)c3ccc4ccccc4c23)c(C)c1"	0	""	""	2	2	"369148"	NA
"640736"	640736	"3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one"	"COc1ccc(C2OC(=O)c3c2ccc4ccccc34)c(C)c1"	0	""	""	1	1	"369149"	NA
"640737"	640737	"azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	NA	NA	8	1	"500303"	NA
"640739"	640739	"hobartine, 8-oxo-9-dehydro"	"CC1=CCC2CC1C(=NC2(C)C)C(=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"369152"	NA
"640884"	640884	"Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide"	"Cc1nc2ccccn2c1N=Nc3ccc(cc3)C(=O)NN"	0	""	""	1	1	"369178"	NA
"640921"	640921	"1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate"	"COC(=O)C12C3C4C1C5C2C3C45C(=O)OC(C)(C)C"	0	""	""	2	1	"369215"	NA
"640929"	640929	"Euphorbia substance SPr5"	"CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(=O)C)C1C(OC(=O)C)C34COC(C)([C@@H]2OC(=O)C)[C@@H]3C5C(C[C@]5(C)OC(=O)C)[C@@H](OC(=O)c6ccccc6)C4=O"	0	""	""	1	1	"5459191"	NA
"640963"	640963	"N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide"	"COc1ccc(NC(=O)C(=O)NO)c(OC)c1"	0	""	""	1	1	"369235"	NA
"640986"	640986	"N-(2,4-Dinitrophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"369255"	NA
"640990"	640990	"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"CCOc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccccc5F)sc2c1"	0	""	""	1	1	"369259"	NA
"640993"	640993	"Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)Nc1ccc(Br)cc1)c2nc3ccc(Cl)cc3nc2O"	0	""	""	2	1	"369262"	NA
"640994"	640994	"biphenyl-2-butanamide,  n-(6-ethoxybenzothiazol-2-yl)- ...."	"CCOc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccccc5c6ccccc6)sc2c1"	0	""	""	2	1	"369263"	NA
"641009"	641009	"tellurium, trichloro[1,2-hexanedioato(2-)-o,o']-, ammonium"	"N.CCCCC1C[O-][Te+4]([ClH-])([ClH-])([ClH-])[O-]1"	0	""	""	3	2	"498945"	NA
"641010"	641010	"Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal"	"N.CCCCCCC1C[O-][Te+4]([ClH-])([ClH-])([ClH-])[O-]1"	0	""	""	2	2	"498947"	NA
"641035"	641035	"Trunculin-A methyl ester"	"COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)CC3C=C(C)CCC3C2(C)C)OO1"	0	""	""	1	1	"54608546"	NA
"641036"	641036	"Trunculin-B methyl ester"	"COC(=O)[C@H](C)[C@H]1CC[C@](C)(OO1)[C@H]2CC3C(C)(C)[C@H]4CCC(=C[C@H]4C[C@@]3(C)O2)C"	0	""	""	2	2	"6711772"	NA
"641048"	641048	"3,4',4'',4'''-tetrasulfonyl copper phthalocyanine, tetra..."	"[Na+].[O-]S(=O)(=O)c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9cc(ccc9C%10=[N+]8[Cu+2]57[NH-]3C(=N%10)c2c1)S(=O)(=O)[O-])c%11ccc(cc6%11)S(=O)(=O)[O-])c%12cc(ccc4%12)S(=O)(=O)[O-]"	0	NA	NA	3	3	"581640"	NA
"641052"	641052	"platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin..."	"CS(=O)(Cc1ccccc1)[Pt+2]([ClH-])([ClH-])[n+]2cccc3ccccc23"	0	NA	NA	4	4	"500458"	NA
"641054"	641054	""	"[ClH-][Pt+2]([ClH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	2	2	"500460"	NA
"641055"	641055	""	"[IH-][Pt+2]([IH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	1	1	"500461"	NA
"641056"	641056	""	"[IH-][Pt+2]([IH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	2	2	"500462"	NA
"641062"	641062	"1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione"	"O=C1N(Cc2ccccc2)C3=C(N1Cc4ccccc4)C(=O)N(Cc5ccccc5)C3=O"	0	""	""	1	1	"369308"	NA
"641066"	641066	"perillol"	"CC(=C)[C@H]1CCC(=CC1)CO"	0	NA	NA	2	1	"500472"	"536594"
"641076"	641076	".cis.-bis(1-phenylbutane-1,3-dionato)bis(5-pregnene-20-o..."	"[Cl-].CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)[O-][Ti+4]56(O=C(C)[CH-]C(=O5)c7ccccc7)(O=C(C)[CH-]C(=O6)c8ccccc8)[O-][C@H]9CC[C@]%10(C)C%11CC[C@@]%12(C)C(CC[C@@H]%12C(=O)C)[C@@H]%11CC=C%10C9"	0	""	""	1	1	"369320"	NA
"641094"	641094	""	"C\C(=N\NC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c2ccc(C)cc2)\C3=Cc4ccccc4OC3=O"	0	NA	NA	1	1	"500497"	NA
"641097"	641097	""	"Cc1cc(ccc1\C=C\C(=O)Nc2ccccc2)N(CCC#N)CCC#N"	0	NA	NA	1	1	"500500"	NA
"641106"	641106	"benzenesulfonamide, n-[4-[[(4-carboxypheny)imino]methyl]..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)C(=O)O)N(CCC#N)S(=O)(=O)c3ccccc3"	0	""	""	3	2	"369351"	NA
"641111"	641111	"N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide"	"O=C(N(C(=O)c1ccccc1)c2ccccc2\N=C(/C#N)\c3ccccc3)c4ccccc4"	0	""	""	2	2	"369355"	NA
"641139"	641139	"6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide"	"CCOc1ccc(cc1)N=Nc2ccc3OC(=O)C(=Cc3c2)C(=O)Nc4ccc(OC)cc4"	0	""	""	1	1	"369377"	NA
"641142"	641142	"N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"COc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"369380"	NA
"641149"	641149	"1-Chloro-7-methyl-phenothiazone"	"Cc1ccc2N=C3C(=CC(=O)C=C3Sc2c1)Cl"	0	""	""	1	1	"369385"	NA
"641150"	641150	"7-Chloro-1-methyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3cc(Cl)ccc3N=C12"	0	""	""	2	2	"369386"	NA
"641151"	641151	"1,2-Dimethyl-phenothiazone"	"CC1=C(C)C2=Nc3ccccc3SC2=CC1=O"	0	""	""	2	1	"369387"	NA
"641152"	641152	"1,6-Dimethyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3c(C)cccc3N=C12"	0	""	""	1	1	"369388"	NA
"641153"	641153	"1,7-Dimethyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3cc(C)ccc3N=C12"	0	""	""	1	1	"369389"	NA
"641155"	641155	"2,7-Dimethyl-phenothiazone"	"CC1=CC2=Nc3ccc(C)cc3SC2=CC1=O"	0	""	""	1	1	"369391"	NA
"641158"	641158	"2-Chloro-1,7-dimethyl-phenothiazone"	"CC1=C(Cl)C(=O)C=C2Sc3cc(C)ccc3N=C12"	0	""	""	3	2	"369394"	NA
"641161"	641161	"2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile"	"CCN(CC)CCOc1ccc(\C=C(/C#N)\c2ccc(OCCN(CC)CC)cc2)cc1"	0	""	""	2	2	"5466693"	NA
"641172"	641172	"10-Acetylsalicyldithranol"	"CC(=O)Oc1ccccc1C(=O)C2c3cccc(O)c3C(=O)c4c(O)cccc24"	0	""	""	2	1	"125294"	NA
"641174"	641174	"Neuro_000312"	"Oc1cccc2C(C(=O)CCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	3	2	"369404"	NA
"641175"	641175	"1,6-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione"	"Oc1cccc2C(C(=O)CCCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	3	1	"369405"	NA
"641176"	641176	"1,7-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione"	"Oc1cccc2C(C(=O)CCCCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	2	2	"369406"	NA
"641177"	641177	"N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide"	"CC(C)N(C(C)C)P1(=O)C(Sc2ccc(C)cc2)C(C)(C)N1C(C)C"	0	""	""	2	1	"369407"	NA
"641178"	641178	"Maybridge3_005893"	"Fc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1"	0	""	""	1	1	"369408"	NA
"641184"	641184	"(4-isopropylphenyl)[?]dione"	"CC(C)c1ccc(cc1)C2N3C(=O)CSC3=NC4=C2c5ccccc5C4=O"	0	""	""	1	1	"369414"	NA
"641203"	641203	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"CC1CC(=Nc2ccccc2S1=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"369433"	NA
"641210"	641210	""	"FC(F)(F)c1ccccc1NC(=O)CCC(=O)N\N=C/2\C(\c3c(OC2c4ccc5OCOc5c4)cccc3)=N/NC(=O)CCC(=O)Nc6ccccc6C(F)(F)F"	0	NA	NA	2	2	"500610"	NA
"641220"	641220	"4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide"	"COc1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	3	3	"369450"	NA
"641224"	641224	"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	"Clc1cc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1Cl"	0	""	""	1	1	"369454"	NA
"641225"	641225	"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccc6ccccc6c5)sc2c1"	0	""	""	1	1	"369455"	NA
"641226"	641226	"N-[2-(2,2-Dimethylpropyl)-6-methylphenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cccc(CC(C)(C)C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	"369456"	NA
"641227"	641227	"N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"Fc1ccccc1C(=O)C(C2OC(=O)c3ccccc23)C(=O)C(=O)Nc4ccc(Br)cc4"	0	""	""	1	1	"369457"	NA
"641228"	641228	"4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroisobenz..."	"Cc1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4F"	0	""	""	1	1	"369458"	NA
"641230"	641230	"N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CCOc1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	"369460"	NA
"641231"	641231	"4-Naphthalen-2-yl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)C(F)(F)F"	0	""	""	2	1	"369461"	NA
"641233"	641233	"2-naphthalenebutanamide, n-(3-chloro-1,4-dihydro- 1,4-di..."	"ClC1=C(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)C(=O)c6ccccc6C1=O"	0	""	""	3	2	"369463"	NA
"641235"	641235	"N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CCOc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1"	0	""	""	1	1	"369465"	NA
"641236"	641236	"N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"Cc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1C"	0	""	""	1	1	"369466"	NA
"641237"	641237	"N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CC(=O)c1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	"369467"	NA
"641238"	641238	"N-(4-Chloro-2-methylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cc(Cl)ccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	"369468"	NA
"641239"	641239	"N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"FC(F)(F)c1ccc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c1"	0	""	""	2	2	"369469"	NA
"641240"	641240	"NCIMech_000766"	"COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	4	3	"369470"	NA
"641241"	641241	"2-naphthalenebutanamide, alpha-,gamma-dioxo-beta-(3-oxo ..."	"FC(F)(F)c1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c1"	0	""	""	3	2	"369471"	NA
"641242"	641242	"4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide"	"[O-][N+](=O)c1cccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)c1"	0	""	""	1	1	"369472"	NA
"641245"	641245	"benzenebutanamide, n-(3-chloro-1,4-dihydro-1,4-dioxo- 2-..."	"ClC1=C(NC(=O)C(=O)CC(=O)c2ccccc2NC3=Cc4ccccc4C(=O)C3=O)C(=O)c5ccccc5C1=O"	0	""	""	4	3	"369475"	NA
"641250"	641250	"NCIMech_000066"	"Clc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)cc1Cl"	0	""	""	1	1	"369480"	NA
"641251"	641251	"4-Naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butanamide"	"Sc1nnc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)[nH]1"	0	""	""	1	1	"3004261"	NA
"641252"	641252	"2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide"	"NC(=O)c1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	"369482"	NA
"641253"	641253	"NCIMech_000796"	"Clc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)cc1"	0	""	""	2	2	"369483"	NA
"641261"	641261	"Quinaldopeptin"	"C[C@H]1NC(=O)C2CCCCN2C(=O)CN(C)C(=O)CNC(=O)C3CCCCN3C(=O)[C@@H](NC(=O)c4nc5ccccc5cc4O)[C@@H](C)NC(=O)C6CCCCN6C(=O)CN(C)C(=O)CNC(=O)[C@@H]7CCCCN7C(=O)C1NC(=O)c8nc9ccccc9cc8O"	0	NA	NA	1	1	"500661"	NA
"641276"	641276	""	"CN(C)CC[N+]1=Nc2cccc3cccc(N1)c23"	0	NA	NA	2	1	"500665"	NA
"641279"	641279	"1-Methyl-5-(5-nitrofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1cc(cc(OC)c1OC)C2=NN(C)C(C2)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"369501"	NA
"641280"	641280	""	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(Cl)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(Cl)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	NA	NA	1	1	"500669"	NA
"641281"	641281	"2-(4-(2-(5-(4-bromophenyl)-3h-1,2-dithiol-3-yl)-2-((1-(5..."	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(Br)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(Br)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	""	""	3	2	"3000384"	NA
"641282"	641282	"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(3-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(3-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid"	"Cc1cccc(c1)C2=C\C(=C(/SS\C(=C/3\SSC(=C3)c4cccc(C)c4)\C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)\SS2"	0	""	""	2	2	"3000388"	NA
"641283"	641283	"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid"	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(F)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(F)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	""	""	3	3	"3000383"	NA
"641284"	641284	""	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccccc3Cl)\SS\C(=C/4\SSC(=C4)c5ccccc5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	NA	NA	2	2	"500673"	NA
"641285"	641285	"disulfide, bis[1-[5-(2-methylphenyl)-3h-1,2-dithiole- 3-..."	"Cc1ccccc1C2=C\C(=C(/SS\C(=C/3\SSC(=C3)c4ccccc4C)\C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)\SS2"	0	""	""	4	4	"3000387"	NA
"641289"	641289	"2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole"	"Cc1cn2cc(nc2s1)c3ccncc3"	0	""	""	2	1	"369509"	NA
"641290"	641290	"AB26777"	"Cc1csc2nc(cn12)c3ccncc3"	0	""	""	2	1	"369510"	NA
"641291"	641291	"6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole"	"C1Cn2cc(nc2S1)c3ccncc3"	0	""	""	2	1	"369511"	NA
"641292"	641292	"2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol"	"CSc1ccc(c(O)c1)c2cn3ccsc3n2"	0	""	""	2	1	"369512"	NA
"641296"	641296	"antineoplastic-641296"	"CCCN(CCC)C1=S[Cu+2]2([ClH-])[N+](=Cc3cccc[n+]23)[N-]1"	0	NA	NA	7	3	"500684"	NA
"641297"	641297	"antineoplastic-641297"	"CC1=[N+]2[N-]C(=S[Cu+2]2([ClH-])[n+]3ccncc13)N4CCCCCC4"	0	NA	NA	6	3	"500685"	NA
"641298"	641298	"1,1-diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea"	"CCN(CC)C(=S)N\N=C(/C)\c1ccccc1O"	0	""	""	1	1	"135410267"	NA
"641317"	641317	"4-Amino-5-carbamoyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide"	"C[n+]1cn(CC(=O)c2ccccc2)c(C(=O)N)c1N"	0	""	""	1	1	"369520"	NA
"641318"	641318	"Antineoplastic-641318"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(NCCCC(OC(=O)C)OC(=O)C)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	"24202346"	NA
"641319"	641319	"Antineoplastic-641319"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(NCCCCC(OC(=O)C)OC(=O)C)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	1	"24202347"	NA
"641377"	641377	"3-(3,4,5-trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid"	"COc1cc(cc(OC)c1OC)c2nnc3SC(=CNn23)C(=O)O"	0	""	""	3	1	"369522"	NA
"641379"	641379	"2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid"	"OC(=O)CN(CC(=O)O)Cc1cc(cc(CN(CC(=O)O)CC(=O)O)n1)C#Cc2ccc(cc2)C#Cc3ccccc3"	0	""	""	3	2	"369524"	NA
"641380"	641380	"Tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-ethynylpyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate"	"CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1)C#C"	0	""	""	1	1	"369525"	NA
"641383"	641383	""	"CCOC(OC(=O)C)[C@H]1ON([C@@H](C)C=C1)c2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	2	2	"500696"	NA
"641385"	641385	"3-[(Butan-2-yloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"CCC(C)OC(=O)C1C2CCC(O2)C1C(=O)O"	0	""	""	2	1	"369528"	NA
"641386"	641386	"3-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"CCCCNC(=O)C1C2CCC(O2)C1C(=O)O"	0	""	""	1	1	"369529"	NA
"641387"	641387	"3-(Piperidin-1-ylcarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"OC(=O)C1C2CCC(O2)C1C(=O)N3CCCCC3"	0	""	""	1	1	"369530"	NA
"641389"	641389	"STK457912"	"Cc1onc(NC(=O)C2C3OC(C=C3)C2C(=O)O)c1"	0	""	""	1	1	"369532"	NA
"641390"	641390	"3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"Cc1ccc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc1"	0	""	""	2	1	"369533"	NA
"641393"	641393	"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-"	"O=C1c2ccccc2C(=O)c3c1ccc4c5ccccc5n(c6ccccc6)c34"	0	""	""	4	2	"369536"	NA
"641394"	641394	"1h-benzo[a]carbazole-1,4(11h)-dione, 11-phenyl-"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccccc5)c23"	0	""	""	3	3	"369537"	NA
"641395"	641395	"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-"	"COc1ccc2[nH]c3c4C(=O)C=CC(=O)c4ccc3c2c1"	0	""	""	3	3	"369538"	NA
"641396"	641396	"1h-benzo[a]carbazole-1,4(11h)-dione, 8-methoxy-11- methyl-"	"COc1ccc2c(c1)c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	4	4	"369539"	NA
"641401"	641401	"6'-Methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione"	"CC1CCCC2(O1)OC3CC(=O)OC3C4=C2C(=O)c5ccccc5C4=O"	0	""	""	1	1	"369540"	NA
"641404"	641404	"Methyl 2-[[3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-2-oxo-propanoyl]amino]benzoate"	"COC(=O)c1ccccc1NC(=O)C(=O)Cc2nc3c4C(=O)c5ccccc5C(=O)c4ccc3nc2O"	0	""	""	1	1	"369543"	NA
"641405"	641405	"naphtho[2,3-f]quinoxaline-3-acetic acid, 2-hydroxy- 7,12..."	"CCOC(=O)Cc1nc2ccc3C(=O)c4ccccc4C(=O)c3c2nc1O"	0	""	""	1	1	"369544"	NA
"641408"	641408	""	"COC(=O)C(Cc1nc2ccccc2nc1O)\C(=N/NC(C)(C)C)\C(=O)Nc3c(C)cc(Br)cc3C"	0	NA	NA	1	1	"500717"	NA
"641414"	641414	""	"CC(=O)c1ccc(NC(=O)\C(=N\NC(=O)N)\CC(=O)c2sc(nc2C)c3cccnc3)cc1"	0	NA	NA	1	1	"500723"	NA
"641420"	641420	"Dimethyl 2-{[(2-methyl-5-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate"	"COC(=O)C(C(=O)C(=O)Nc1cc(ccc1C)[N+](=O)[O-])C(=O)C(=O)OC"	0	""	""	1	1	"369556"	NA
"641424"	641424	"Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-"	"Oc1nc2ccc3C(=O)c4ccccc4C(=O)c3c2nc1CC(=O)C(=O)Nc5ccccc5[N+](=O)[O-]"	0	""	""	1	1	"369560"	NA
"641431"	641431	"(2Z)-N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2-(methylhydrazinylidene)-4-oxobutanamide"	"CN\N=C(\CC(=O)c1sc(nc1C)n2nc(cc2c3ccccc3)c4ccccc4)/C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	"9571292"	NA
"641435"	641435	"Methyl (3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate"	"COC(=O)C(\C(=N\N)\C(=O)Nc1cc(Cl)ccc1Cl)c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	"9571294"	NA
"641444"	641444	"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-methyl-6-propan-2-ylphenyl)-2-oxoacetamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)NNC(=O)c2sc(NNC(=O)C)nc2C"	0	""	""	1	1	"369575"	NA
"641445"	641445	"Methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoate"	"COC(=O)C(=O)C(\C(=N\N)\C(=O)Nc1ccccc1C(=O)N)c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	"9571296"	NA
"641454"	641454	"Antineoplastic-641454"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C"	0	""	""	5	2	"5466704"	NA
"641457"	641457	"Azane;hexane-1,6-diamine;platinum(4+);propanedioate"	"N[Pt+2]1(NCCCCCCN[Pt+2]2(N)[O-]C(=O)CC(=O)[O-]2)[O-]C(=O)CC(=O)[O-]1"	0	""	""	2	1	"24202350"	NA
"641458"	641458	"platinum, n,n''-(1,6-hexanediyl)bis[diamino[2-ethyl- 1,3..."	"CCC1C(=O)[O-][Pt+2](N)(NCCCCCCN[Pt+2]2(N)[O-]C(=O)C(CC)C(=O)[O-]2)[O-]C1=O"	0	""	""	2	2	"24202351"	NA
"641459"	641459	"Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)"	"N[Pt+2](NCCCCCCN[Pt+2](N)([O-]C(=O)CCl)[O-]C(=O)CCl)([O-]C(=O)CCl)[O-]C(=O)CCl"	0	""	""	1	1	"24202352"	NA
"641461"	641461	"Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)"	"N[Pt+2](NCCCCCN[Pt+2](N)([O-]C(=O)CCl)[O-]C(=O)CCl)([O-]C(=O)CCl)[O-]C(=O)CCl"	0	""	""	1	1	"24202354"	NA
"641465"	641465	"platinum, n,n''-(1,9-nonanediyl)bis[diaminodichloro-, (s..."	"[Cl-][Pt+2]([Cl-])(N)NCCCCCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	NA	NA	2	2	"581658"	NA
"641467"	641467	""	"[Cl-][Pt+2]([Cl-])(N)NCCCCCCCCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	NA	NA	1	1	"581660"	NA
"641484"	641484	"(z)-3,4,5-trimethoxy-4'-ethylstilbene"	"CCc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	"5466706"	NA
"641522"	641522	"5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone"	"COc1cc(CC=C)cc(C(=O)\C=C\c2ccc(OC)c(OC)c2)c1O"	0	""	""	1	1	"5459194"	NA
"641533"	641533	"cyclobutane, 3,3,4,4-tetrachloro- 1,2-bis(dichloromethyl..."	"ClC(=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl)Cl"	0	""	""	4	3	"369620"	NA
"641541"	641541	"2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole"	"COc1c(Br)cc(Br)c(OC)c1c2ccc[nH]2"	0	""	""	1	1	"369631"	NA
"641548"	641548	"Betuletol"	"COc1ccc(cc1)C2=C(O)C(=O)c3c(O)c(OC)c(O)cc3O2"	0	""	""	3	2	"5459196"	NA
"641594"	641594	"3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione"	"Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)c4ccccc4"	0	""	""	5	4	"369639"	NA
"641595"	641595	"2-Methyl-N-(2-methylphenyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide"	"Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)Nc4ccccc4C"	0	""	""	2	2	"369640"	NA
"641596"	641596	"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone"	"OC(C(=O)c1nc2ccc(Cl)cc2nc1O)c3ccccc3"	0	""	""	1	1	"369641"	NA
"641603"	641603	""	"OC(\C(=N/NC(=O)Cc1ccccc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])c4ccccc4Cl"	0	NA	NA	1	1	"500820"	NA
"641604"	641604	"(2Z)-2-[(4-Methylphenyl)sulfonylhydrazinylidene]-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-N-(3-nitrophenyl)acetamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C(/C(=O)Nc2cccc(c2)[N+](=O)[O-])\c3nc4ccc(cc4nc3O)[N+](=O)[O-]"	0	""	""	1	1	"135499161"	NA
"641607"	641607	"3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one"	"COc1ccc(cc1)C(C2C(=O)Oc3ccccc23)\C(=N/O)\c4ccc(OC)cc4"	0	""	""	1	1	"5929993"	NA
"641609"	641609	""	"Cc1ccc(cc1)S(=O)(=O)N\N=C(/C(O)c2ccc(cc2)C(O)\C(=N/NS(=O)(=O)c3ccc(C)cc3)\c4nc5ccc(cc5nc4O)[N+](=O)[O-])\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	"500826"	NA
"641613"	641613	"1-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine"	"NC(=N)N\N=C(\C(O)c1ccc(cc1)[N+](=O)[O-])/C2=Nc3ccc(cc3NC2=O)[N+](=O)[O-]"	0	""	""	1	1	"135499166"	NA
"641617"	641617	""	"CN(C)\N=C(/C(O)c1occc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	"500834"	NA
"641626"	641626	"benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino-, 2-..."	"CC(C)C(OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl)C(C)C"	0	""	""	2	1	"3001012"	NA
"641691"	641691	"vicenistatin"	"CNC1C(O)CC(OC2C\C=C(/C)\C\C(=C\C=C\CCC(C)CNC(=O)\C=C\C=C\C2C)\C)OC1C"	0	NA	NA	5	3	"500845"	"150999056"
"641717"	641717	"(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid"	"CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1"	0	""	""	2	1	"369700"	NA
"641756"	641756	"2-[(E)-[1-[3-(4-methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4C(=O)O)c2c5ccccc5)cc1"	0	""	""	1	1	"369709"	NA
"641810"	641810	"(1R,8S)-8-hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione"	"O[C@H]1C2CC=CC3C2[C@@H](OC3=O)C4=C1C(=O)C=CC4=O"	0	""	""	2	2	"369716"	NA
"641818"	641818	"7-Chloro-3-[3-[4-[2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-oxoethyl]phenyl]-3-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one"	"OC(C(=C)C1=Nc2ccc(Cl)cc2NC1=O)c3ccc(cc3)C(O)C(=O)C4=Nc5ccc(Cl)cc5NC4=O"	0	""	""	2	2	"369723"	NA
"641820"	641820	"4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one"	"CC(C)(C)NNC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	"4585482"	NA
"641821"	641821	"Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate"	"COC(=O)NNC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	"3822841"	NA
"641822"	641822	"4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one"	"ONC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	"3699706"	NA
"641845"	641845	"STK044062"	"C\C(=N\NC(=S)N)\CC(=O)Nc1ccc(Cl)cc1"	0	""	""	1	1	"5981635"	NA
"641991"	641991	"Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate"	"CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc2nc3ccccc3nc2O)C(=O)OC"	0	""	""	1	1	"369798"	NA
"641994"	641994	""	"COC(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1)\C(=N\NC(=O)N)\C(=O)OC"	0	NA	NA	2	1	"500960"	NA
"641995"	641995	"Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate"	"COC(=O)C(CCS(=O)(=O)CC(=O)C(=O)Nc1cccc(c1)C(=O)C)C(=O)OC"	0	""	""	2	1	"369802"	NA
"642009"	642009	"butanedioic acid, 2-[[2-[(3-chloro-1,4-dihydro-1,4-dioxo..."	"NC1=C(Cl)C(=O)c2ccccc2C1=O"	0	NA	NA	3	2	"500974"	"2797515"
"642021"	642021	"4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"O=C(Nc1ccccc1C#N)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5"	0	""	""	1	1	"369825"	NA
"642024"	642024	"N-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	"Clc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5)cc1Cl"	0	""	""	1	1	"369827"	NA
"642026"	642026	"N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	"CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5"	0	""	""	1	1	"369829"	NA
"642038"	642038	""	"[O-][N+](=O)C(\C(=N\NC(=O)c1ccncc1)\C(=O)Nc2ccc(cc2C#N)[N+](=O)[O-])c3cnc4ccc(cc4n3)[N+](=O)[O-]"	0	NA	NA	4	3	"501003"	NA
"642049"	642049	"acetamide, n-(3-acetylphenyl)-2-[(4-amino-5-mercapto- 4h..."	"CC(=O)c1cccc(NC(=O)C(=O)NNc2nnc(S)n2N)c1"	0	""	""	3	3	"3000679"	NA
"642051"	642051	"Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c2nc3ccccc3nc2O"	0	""	""	1	1	"369854"	NA
"642054"	642054	"[2-[(2E)-2-[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"CCOc1ccc2nc(NC(=O)C3=C\C(=N/NC(=O)C[N+](C)(C)C)\c4ccc(O)cc4O3)sc2c1"	0	""	""	2	2	"135483956"	NA
"642057"	642057	""	"COC(=O)C(=O)C(C(=O)C1=NS(=O)(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N)c3nc4ccc(cc4nc3O)C(=O)c5ccccc5"	0	NA	NA	1	1	"581663"	NA
"642061"	642061	"propanamide, n-(2-chloro-1,4-dioxo-3-naphthalenyl)-3-cya..."	"C[N+](C)(C)CC(=O)N\N=C(\C(C#N)c1nc(cs1)c2ccc(cc2)[N+](=O)[O-])/C(=O)NC3=C(Cl)C(=O)c4ccccc4C3=O"	0	""	""	5	4	"9574385"	NA
"642069"	642069	"N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide"	"Brc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1"	0	""	""	1	1	"369876"	NA
"642071"	642071	"N-[(E)-1-[2-[5-[(E)-N-Anilino-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]aniline"	"C\C(=N/Nc1ccccc1)\c2sc(nc2C)c3nc(C)c(s3)\C(=N\Nc4ccccc4)\C"	0	""	""	2	1	"9555852"	NA
"642075"	642075	"N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide"	"COc1ccc(CNc2nc3c(NC(=O)C)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"369881"	NA
"642077"	642077	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	"COc1cc(CNc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"369883"	NA
"642079"	642079	"Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCCC"	0	""	""	1	1	"369885"	NA
"642099"	642099	"longikaurin b"	"CC(=O)OCC1(C)CCCC23CO[C@@](O)([C@@H](O)[C@H]12)C45[C@H](O)[C@H](CC[C@@H]34)C(=C)C5=O"	0	NA	NA	3	3	"501060"	NA
"642195"	642195	"4-O-Benzyl 2-O-ethyl 5-[[(5-ethoxycarbonyl-4-methyl-3-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate"	"CCOC(=O)c1[nH]c(CN(C)Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCc3ccccc3)c(C(=O)OCc4ccccc4)c1C"	0	""	""	1	1	"369904"	NA
"642198"	642198	"Antineoplastic-642198"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O"	0	NA	NA	7	5	"501065"	NA
"642276"	642276	"[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4cccc(N)c4)c5cc6OCOc6cc25"	0	""	""	2	2	"369909"	NA
"642277"	642277	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(N)c4)c5cc6OCOc6cc25"	0	""	""	2	2	"369910"	NA
"642278"	642278	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(c4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	"369911"	NA
"642279"	642279	"(5S,8aR,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	"369912"	NA
"642280"	642280	"(5R,8aS,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@@H]2[C@H]3C(COC3=O)[C@@H](NCc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	"369913"	NA
"642281"	642281	"(5R,8aS,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@@H]2[C@H]3C(COC3=O)[C@@H](NCc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369914"	NA
"642282"	642282	"(5S,8aR,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4cccc(F)c4)c5cc6OCOc6cc25"	0	""	""	1	1	"369915"	NA
"642283"	642283	"(5S,8aR,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccccc4F)c5cc6OCOc6cc25"	0	""	""	1	1	"369916"	NA
"642284"	642284	"4-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	"369917"	NA
"642285"	642285	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	1	1	"369918"	NA
"642286"	642286	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369919"	NA
"642287"	642287	"3-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4cccc(c4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	"369920"	NA
"642288"	642288	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369921"	NA
"642289"	642289	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(F)c4)c5cc6OCOc6cc25"	0	""	""	1	1	"369922"	NA
"642290"	642290	"4-acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)C(=O)C)c5cc6OCOc6cc25"	0	""	""	1	1	"369923"	NA
"642291"	642291	"[4-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(OC(=O)C)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369924"	NA
"642292"	642292	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	"369925"	NA
"642293"	642293	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(c4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	"369926"	NA
"642294"	642294	"Antineoplastic-642294"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369927"	NA
"642295"	642295	"[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"369928"	NA
"642296"	642296	"[6-[[(2R,10S,15S)-7-acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"COC(C)(C)[C@H](O)C(O)CC(C)[C@@H]1CCC23CC12CCC4[C@@]5(C)CCC(OC(=O)C)C(C)(C)C5CC(OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	2	1	"369929"	NA
"642297"	642297	"[6-[[(2R,10S,15S)-7-acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"CC(CC(O)[C@@H](O)C(C)(C)O)[C@@H]1CCC23CC12CCC4[C@@]5(C)CCC(OC(=O)C)C(C)(C)C5CC(OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	2	1	"369930"	NA
"642300"	642300	"[6-[[(2R,10S,15S)-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"CC(CC(O)C1OC1(C)C)[C@@H]2CCC34CC23CCC5[C@@]6(C)CCC(O)C(C)(C)C6CC(OC7OC(COC(=O)C)C(O)C(O)C7O)[C@@]45C"	0	""	""	2	1	"369933"	NA
"642306"	642306	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccccc4"	0	""	""	1	1	"369939"	NA
"642308"	642308	"[4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(OC(=O)C)cc4"	0	""	""	1	1	"369941"	NA
"642309"	642309	"Colchicine analog"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4cc(O)c(O)c(O)c4"	0	""	""	1	1	"369942"	NA
"642310"	642310	"4-cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(cc4)C#N"	0	""	""	1	1	"369943"	NA
"642311"	642311	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	"CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(O)c(O)c(O)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	"369944"	NA
"642312"	642312	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	"CCCCCC(=O)NC1CCc2cc(O)c(O)c(O)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	1	"369945"	NA
"642313"	642313	"Antineoplastic-642313"	"COc1cc2CCC(NC(=O)c3ccc(F)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	1	"369946"	NA
"642314"	642314	"Antineoplastic-642314"	"COc1cc2CCC(NC(=O)c3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	1	"369947"	NA
"642315"	642315	"Antineoplastic-642315"	"COc1cc2CCC(NC(=O)c3ccc(OC(=O)C)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"369948"	NA
"642316"	642316	"Antineoplastic-642316"	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24"	0	""	""	2	2	"369949"	NA
"642317"	642317	"N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	"CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	"369950"	NA
"642319"	642319	"Antineoplastic-642319"	"CCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	"369952"	NA
"642320"	642320	"N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide"	"CCCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	1	1	"369953"	NA
"642321"	642321	"LMPK12113341"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	2	2	"369954"	NA
"642322"	642322	"5-[(5S,8aR)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione"	"COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	"369955"	NA
"642323"	642323	"ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate"	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(C4=CC(=O)C(=O)C(=C4)OC)c5cc6OCOc6cc25)cc1"	0	""	""	2	2	"369956"	NA
"642324"	642324	"5-[(5S,8aR)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione"	"COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	2	2	"369957"	NA
"642328"	642328	"benzonitrile, 4-[[1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy- ..."	"COc1cc2[C@@H](Nc3ccc(cc3)C#N)C4COC(=O)[C@@H]4C(c5cc(OC)c(O)c(OC)c5)c2cc1OC"	0	NA	NA	2	2	"501118"	"138355961"
"642329"	642329	"naphtho[2,3-c]furan-1(9a)-one, 3,3a,4,9-tetrahydro-4- (4..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc(OC)c(OC)cc25"	0	""	""	2	2	"369962"	NA
"642393"	642393	""	NA	0	NA	NA	1	1	"501122"	NA
"642396"	642396	""	NA	0	NA	NA	2	2	"501125"	NA
"642397"	642397	""	NA	0	NA	NA	2	2	"501126"	NA
"642398"	642398	""	NA	0	NA	NA	2	2	"501127"	NA
"642399"	642399	""	NA	0	NA	NA	2	2	"501128"	NA
"642400"	642400	""	NA	0	NA	NA	2	2	"501129"	NA
"642401"	642401	""	NA	0	NA	NA	2	2	"501130"	NA
"642402"	642402	""	NA	0	NA	NA	2	2	"501131"	NA
"642403"	642403	""	NA	0	NA	NA	1	1	"501132"	NA
"642405"	642405	""	NA	0	NA	NA	1	1	"501134"	NA
"642407"	642407	""	NA	0	NA	NA	1	1	"501136"	NA
"642408"	642408	""	NA	0	NA	NA	2	1	"501137"	NA
"642409"	642409	""	NA	0	NA	NA	3	3	"501138"	NA
"642410"	642410	""	NA	0	NA	NA	5	2	"501139"	NA
"642418"	642418	""	NA	0	NA	NA	1	1	"501147"	NA
"642481"	642481	""	"OC(CN1CCC(CC1)c2ccccc2)Cc3cccc4ccccc34"	0	NA	NA	1	1	"501156"	NA
"642492"	642492	"O-Chloroacetylcarbamoylfumagillol"	"CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C)OC(=O)NC(=O)CCl"	0	NA	NA	10	2	"501161"	"129298915"
"642517"	642517	"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one"	"CN1C(=O)C(=C(O)c2ccccc12)C(C3=C(O)c4ccccc4N(C)C3=O)c5ccccc5"	0	""	""	1	1	"54687020"	NA
"642520"	642520	"STK687015"	"OC1=C(C(C2=C(O)c3ccccc3N(C2=O)c4ccccc4)c5ccc(Cl)cc5)C(=O)N(c6ccccc6)c7ccccc17"	0	""	""	1	1	"54687023"	NA
"642523"	642523	"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one"	"OC1=C(C(C2=C(O)c3ccccc3N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-])C(=O)N(c6ccccc6)c7ccccc17"	0	""	""	1	1	"54687025"	NA
"642565"	642565	"N-(3-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide"	"Clc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(s2)c3ccccc3)c1"	0	""	""	1	1	"370001"	NA
"642570"	642570	""	"CCOc1ccc(cc1)N=Nc2ccc3OC(=O)C(=Cc3c2)\C(=N/NC(=O)CC(=O)Nc4ccc(Cl)cc4)\C"	0	NA	NA	1	1	"501193"	NA
"642572"	642572	""	"COc1cccc(NC(=O)CC(=O)NN2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-])c1"	0	NA	NA	1	1	"501195"	NA
"642576"	642576	""	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)N\C(=C/c2ccc(cc2)N(CCC#N)CCC#N)\C(=O)Nc3ccccc3"	0	NA	NA	1	1	"501199"	NA
"642581"	642581	"N-[(Z)-1-[4-[Bis(2-cyanoethyl)amino]phenyl]-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide"	"COc1ccc(NC(=O)\C(=C\c2ccc(cc2)N(CCC#N)CCC#N)\NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1"	0	""	""	1	1	"6477309"	NA
"642592"	642592	"2,6-diNO2Ph-SO2-Ph"	"[O-][N+](=O)c1cccc(c1S(=O)(=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	"370024"	NA
"642594"	642594	""	"CCN1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"501217"	NA
"642595"	642595	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(OC)cc2)c3ccc(OC)cc3"	0	NA	NA	1	1	"501218"	NA
"642596"	642596	"3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide"	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3"	0	""	""	4	4	"370031"	NA
"642597"	642597	"piperidinium, 1-ethyl-4-hydroxy-4-(4-methoxyphenyl)- 3-[..."	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccc(OC)cc2)c3ccc(OC)cc3"	0	""	""	3	1	"370033"	NA
"642600"	642600	"[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxyoxan-2-yl]methyl 11-[(1-nitro-9-oxo-10H-acridine-4-carbonyl)amino]undecanoate"	"CC(C)C(NC(=O)C(C)OC1C(O)C(COC(=O)CCCCCCCCCCNC(=O)c2ccc(c3C(=O)c4ccccc4Nc23)[N+](=O)[O-])OCC1NC(=O)C)C(=O)NC(CCC(=O)N)C(=O)OCc5ccccc5"	0	""	""	4	2	"3774228"	NA
"642614"	642614	""	"C\C(=N\NC(=O)C[N+](C)(C)C)\CC(=O)Nc1ccc(Cl)c(Cl)c1"	0	NA	NA	1	1	"501237"	NA
"642624"	642624	""	"OC(=O)\C(=C\C=C\c1ccccc1)\c2csc(n2)c3nc(cs3)\C(=C/C=C/c4ccccc4)\C(=O)O"	0	NA	NA	1	1	"501247"	NA
"642626"	642626	""	"OC(=O)\C(=C\c1c(O)ccc2ccccc12)\c3csc(n3)c4nc(cs4)\C(=C/c5c(O)ccc6ccccc56)\C(=O)O"	0	NA	NA	1	1	"501249"	NA
"642638"	642638	"7-Chloro-3-[hydroxy(3-nitrophenyl)acetyl]quinoxalin-2(1H)-one"	"OC(C(=O)C1=Nc2ccc(Cl)cc2NC1=O)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"370079"	NA
"642640"	642640	"[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea"	"Cc1nc(sc1\C(=N\NC(=S)N)\C=C\c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"5932655"	NA
"642641"	642641	""	"Cc1nc(sc1\C(=N\NC(=S)NN)\C=C/c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	NA	NA	2	1	"501264"	NA
"642642"	642642	"3(2h)-pyridazinone, 4,5-dichloro-2-phenyl-"	"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2"	0	NA	NA	3	2	"501265"	"1698539"
"642645"	642645	""	"NC(=S)N\N=C(/C(=O)Nc1cccc(c1)[N+](=O)[O-])\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	"501268"	NA
"642649"	642649	"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone"	"OC(C(=O)c1nc2ccc(Cl)cc2nc1O)c3ccc4OCOc4c3"	0	""	""	1	1	"370089"	NA
"642651"	642651	""	"CN\N=C(/C(O)c1ccc(cc1)C(O)\C(=N/NC)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])\c4nc5ccc(cc5nc4O)[N+](=O)[O-]"	0	NA	NA	1	1	"501274"	NA
"642704"	642704	"S-N-(Phenethylthiocarbamoyl)-L-glutathione"	"Cc1ccc(CCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1"	0	NA	NA	2	2	"501289"	NA
"642728"	642728	"4a-chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione"	"CCN1C2=NC(=O)N(C)C(=O)C2(Cl)C(C(SC)S(=O)(=O)c3ccc(C)cc3)c4ccccc14"	0	""	""	1	1	"370138"	NA
"642738"	642738	""	"CCOC(=O)[C@]12C3CC(C=C3)C1C(=O)C4OC24"	0	NA	NA	1	1	"501314"	NA
"642740"	642740	"4h-1-benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-..."	"CN1CCC(C(O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	""	""	2	2	"5466794"	NA
"642899"	642899	"Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium"	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCCCCCCCCOc5cc6c7cc(OC)c(OC)cc7c[n+](C)c6c8cc(OC)c(OC)cc58)cc3c2cc1OC"	0	""	""	1	1	"24202359"	NA
"642904"	642904	"7-methyl-coumarin-4-acetic acid"	"Cc1ccc2C(=CC(=O)Oc2c1)CC(=O)O"	0	""	""	1	1	"370162"	NA
"642908"	642908	""	"COC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)N(CCCl)N=O"	0	NA	NA	1	1	"501339"	NA
"642910"	642910	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate"	"COC1OC(CO)C(O)C(OC(=O)C)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	"370166"	NA
"642911"	642911	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl dodecanoate"	"CCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	"370167"	NA
"642912"	642912	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl tetradecanoate"	"CCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	"370168"	NA
"642913"	642913	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] tetradecanoate"	"CCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	"370169"	NA
"642914"	642914	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octadecanoate"	"CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	"370170"	NA
"642915"	642915	"Neuro_000320"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(OC1C2O)N(CCCl)CCCl"	0	""	""	3	3	"370171"	NA
"642916"	642916	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	"370172"	NA
"642932"	642932	""	"CCOC(=O)C1Nc2ccccc2[C@H]3OCC[C@@H]13"	0	NA	NA	1	1	"501363"	NA
"642938"	642938	""	"CCOC(=O)[C@H]1Nc2ccccc2C3C1Cc4ccccc34"	0	NA	NA	1	1	"501369"	NA
"642940"	642940	""	"CCOC(=O)[C@H]1Nc2ccc(cc2C3C1Cc4ccccc34)[N+](=O)[O-]"	0	NA	NA	1	1	"501371"	NA
"642942"	642942	""	"CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])C3C1Cc4ccccc34"	0	NA	NA	1	1	"501373"	NA
"642947"	642947	"methanone, [3-(dibromomethyl)-6-chloroquinolin-2-yl] phe..."	"Clc1ccc2nc(C(=O)c3ccccc3)c(cc2c1)C(Br)Br"	0	""	""	4	2	"370203"	NA
"642948"	642948	"(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone"	"Clc1ccc(Cl)c2nc(C(=O)c3ccccc3)c(cc12)C(Br)Br"	0	""	""	1	1	"370204"	NA
"642950"	642950	"(8-Hydroxy-2-quinolinyl)(phenyl)methanone"	"Oc1cccc2ccc(nc12)C(=O)c3ccccc3"	0	""	""	1	1	"370206"	NA
"642951"	642951	"(8-Methoxy-2-quinolinyl)(phenyl)methanone"	"COc1cccc2ccc(nc12)C(=O)c3ccccc3"	0	""	""	1	1	"370207"	NA
"642953"	642953	"(6-Methoxy-3-methylquinolin-2-yl)(phenyl)methanone"	"COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1"	0	""	""	2	2	"370209"	NA
"642954"	642954	"(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone"	"Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c3ccccc3"	0	""	""	2	1	"370210"	NA
"642956"	642956	""	"O=C([C@H]1Nc2cnccc2C3C1Cc4ccccc34)c5ccccc5"	0	NA	NA	2	2	"501384"	NA
"642957"	642957	""	"Clc1ccc2N[C@@H]([C@@H]3CCC[C@@H]3c2c1)C(=O)c4ccccc4"	0	NA	NA	1	1	"501385"	NA
"642964"	642964	"4-Hydroxybenzo[b]acridine-6,11-dione"	"Oc1cccc2cc3C(=O)c4ccccc4C(=O)c3nc12"	0	""	""	1	1	"370220"	NA
"642968"	642968	"benzo[g]quinoline-5,10-dione, 5,10-dihydro- 4-[2-(1-pipe..."	"O=C1c2ccccc2C(=O)c3c(\C=C\N4CCCCC4)ccnc13"	0	NA	NA	5	5	"501396"	NA
"642998"	642998	"6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine"	"Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc3ccccc3O1"	0	""	""	1	1	"370228"	NA
"642999"	642999	"4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide"	"O=S(=O)(CC1=NC2C=CC=CC2N=C1)NCc3ccccc3"	0	""	""	1	1	"370229"	NA
"643000"	643000	"2-(1h-imidazol-2-ylmethyl)-4-(1h-imidazol-4-ylmethyl)-1h..."	"C(c1c[nH]cn1)c2c[nH]c(Cc3ncc[nH]3)n2"	0	""	""	1	1	"370230"	NA
"643001"	643001	"Antineoplastic-643001"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	NA	NA	4	3	"501403"	NA
"643004"	643004	""	"C[C@@]12[Se]c3ccccc3[C@]1(C)[Se]c4ccccc24"	0	NA	NA	1	1	"501406"	NA
"643006"	643006	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octanoate"	"CCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	2	1	"370236"	NA
"643019"	643019	"triethyl-o-bromo-.alpha.-phosphono-cinnamate"	"CCOC(=O)\C(=C\c1ccccc1Br)\P(=O)(OCC)OCC"	0	""	""	1	1	"6477312"	NA
"643022"	643022	"Diethyl p-carbomethoxy benzylidene malonate"	"CCOC(=O)C(=Cc1ccc(cc1)C(=O)OC)C(=O)OCC"	0	""	""	1	1	"370249"	NA
"643023"	643023	".alpha.-phenyl-2,5-dimethoxy-.alpha.-cinnamonitrile"	"COc1ccc(OC)c(\C=C(\C#N)/c2ccccc2)c1"	0	NA	NA	1	1	"501423"	NA
"643025"	643025	"2-(2,5-dimethoxybenzylidene)-1-tetralone"	"COc1ccc(OC)c(\C=C\2/CCc3ccccc3C2=O)c1"	0	NA	NA	1	1	"501425"	NA
"643026"	643026	"diethyl 2,5-dimethoxybenzylidene-malonate"	"CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC"	0	""	""	1	1	"81758"	NA
"643027"	643027	"Diethyl p-phenoxybenzalmalonate"	"CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC"	0	""	""	3	1	"370253"	NA
"643032"	643032	"m-phenoxy-.alpha.-phenylcinnamonitrile"	"N#C\C(=C\c1cccc(Oc2ccccc2)c1)\c3ccccc3"	0	NA	NA	1	1	"501432"	NA
"643045"	643045	"3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol"	"Cc1ccc(cc1)C2=C(c3ccccc3)C(O)(C(=C2c4ccc(C)cc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"370267"	NA
"643046"	643046	"1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol"	"Cc1ccc(cc1)C2=C(c3ccccc3)C(O)(C(=C2c4ccc(C)cc4)c5ccccc5)c6ccc(C)cc6"	0	""	""	1	1	"370268"	NA
"643051"	643051	"2-chloro-5h-pyrido[2',1':2,3]imidazo[4,5-b]indole hydroc..."	"Clc1ccc2c(c1)[nH]c3c2nc4ccccn34"	0	NA	NA	1	1	"501451"	NA
"643123"	643123	"Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydro-2H-pyrido[4,3-b]carbazole-2-carboxylate"	"COC(=O)N1CC2=C(C)C3C(Nc4ccccc34)C(=C2C=C1)C"	0	""	""	1	1	"370277"	NA
"643125"	643125	"9-Hydroxy-2,5,11-trimethyl-10-(2,2,2-trifluoroethoxy)-6h-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c1[nH]c4ccc(O)c(OCC(F)(F)F)c34"	0	""	""	1	1	"370279"	NA
"643133"	643133	""	"Clc1ccc(\C=C(/C(=O)c2ccccc2)\c3ccccc3)cc1"	0	NA	NA	1	1	"501461"	NA
"643134"	643134	"4-[(E)-3-oxo-2,3-diphenyl-prop-1-enyl]benzonitrile"	"O=C(\C(=C\c1ccc(cc1)C#N)\c2ccccc2)c3ccccc3"	0	""	""	2	1	"5466802"	NA
"643139"	643139	"5-Nitrofurylmalonic acid diethyl ester"	"CCOC(=O)C(C(=O)OCC)c1oc(cc1)[N+](=O)[O-]"	0	""	""	2	2	"370288"	NA
"643158"	643158	"triethyl-(3-thiofuryl)-phosphono acetate"	"CCOC(=O)C(c1ccsc1)P(=O)(OCC)OCC"	0	""	""	1	1	"370303"	NA
"643180"	643180	"3,4,5-Trimethoxybenzylidene acetophenone"	"COc1cc(\C=C\C(=O)c2ccccc2)cc(OC)c1OC"	0	NA	NA	1	1	"501508"	NA
"643194"	643194	"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline"	"Cc1ccc(NP(=O)(Oc2ccccc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	"370335"	NA
"643248"	643248	"23,27-epoxy-3h-pyrido[2,1-c] [1,4]oxaazacyclohentriacont..."	"CCN(CC)CCC(=O)O[C@H]1CC[C@H](CC(C)[C@H]2CC(=O)C(C)\C=C(/C)\[C@H](OC(=O)CCN(CC)CC)C(OC)C(=O)[C@@H](C)CC(C)\C=C\C=C\C=C(/C)\C(CC3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CC1OC"	0	""	""	11	4	"54600729"	NA
"643342"	643342	"pyrophen"	"COC1=CC(=O)OC(=C1)C(Cc2ccccc2)NC(=O)C"	0	""	""	1	1	"370342"	NA
"643406"	643406	"Xestoquinone"	"C[C@]12CCCc3coc(C(=O)c4cc5C(=O)C=CC(=O)c5cc14)c23"	0	""	""	2	1	"122838"	NA
"643407"	643407	"Halenaquinone"	"C[C@]12CCC(=O)c3coc(C(=O)c4cc5C(=O)C=CC(=O)c5cc14)c23"	0	""	""	3	2	"370346"	NA
"643412"	643412	""	"[R]Br.Cn1c2ccccc2c3ccc4C(=O)C(Br)C(Br)C(=O)c4c13"	0	NA	NA	3	3	"581673"	NA
"643416"	643416	""	"COc1ccc(cc1)N2C(=O)[C@H]3CC(C)c4c([nH]c5ccccc45)[C@H]3C2=O"	0	NA	NA	5	4	"501540"	NA
"643419"	643419	""	"COC(=O)[C@H]1[C@@H]2[C@H](Cc3c1[nH]c4ccccc34)c5ccccc5NC2=O"	0	NA	NA	2	1	"501543"	NA
"643439"	643439	"5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium"	"[O-][n+]1c(c2ccccc2)c3nc4ccccc4nc3c5ccccc15"	0	""	""	1	1	"467007"	NA
"643476"	643476	"[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide"	"CCOCN1COCN/C/1=N/C#N"	0	""	""	1	1	"370384"	NA
"643486"	643486	"1,1,3,3-Tetrabenzyl-2-cyanoguanidine"	"N#CN=C(N(Cc1ccccc1)Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	""	""	1	1	"370392"	NA
"643498"	643498	"N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide"	"CNS(=O)(=O)NN(C)S(=O)(=O)c1ccccc1"	0	""	""	1	1	"370399"	NA
"643547"	643547	"spiroirida-15(28),16-dienal, 14,15-dihydro- 26(r),29-dih..."	"CC(=CCC\C(=C\C=C\C(=C)[C@H]1CCC2([C@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\CO)C"	0	NA	NA	1	1	"501647"	NA
"643590"	643590	"4-Chloro-N-(4-methylphenyl)-N-[3-[4-[(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide"	"Cc1ccc(cc1)N(C(=O)CC(=O)N2N=C(C(N=Nc3ccc(cc3)[N+](=O)[O-])C2=O)c4ccccc4)C(=O)c5ccc(Cl)cc5"	0	""	""	2	2	"370459"	NA
"643591"	643591	"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccc(Cl)cc4)c2c5ccccc5)cc1"	0	""	""	1	1	"370460"	NA
"643593"	643593	"3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4Cl)c2c5ccccc5)cc1"	0	""	""	2	1	"370462"	NA
"643596"	643596	"N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide"	"Clc1ccc(NC(=O)C2=Cc3cc(ccc3OC2=O)N=Nc4ccccc4Cl)cc1"	0	""	""	1	1	"370465"	NA
"643599"	643599	"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide"	"COc1ccc(cc1)\N=C/c2ccc(cc2C)N(CCC#N)S(=O)(=O)c3ccccc3"	0	""	""	1	1	"370469"	NA
"643713"	643713	"1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline"	"COc1ccc(cc1)C2=NN(C(=O)C)c3nc4ccccc4nc3O2"	0	""	""	1	1	"370491"	NA
"643735"	643735	"1,2-benzo-8-(d,l-alanyl)-3-phenoxazone nitrate salt"	"NC(Cc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1)C(=O)O"	0	""	""	6	5	"5459200"	"154804065"
"643736"	643736	"(5Z)-3-(4-bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one"	"C\C(=C/1\N=C(N(C1=O)c2ccc(Br)cc2)c3cc(ccc3Cl)[N+](=O)[O-])\C4=Cc5ccccc5OC4=O"	0	""	""	1	1	"3001637"	NA
"643737"	643737	"(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitrophenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one"	"C\C(=C/1\N=C(N(C2=CC=C(Cl)CC2)C1=O)c3cc(ccc3Cl)[N+](=O)[O-])\C4=Cc5ccccc5OC4=O"	0	""	""	1	1	"3004300"	NA
"643740"	643740	"3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile"	"C\C(=C/1\N=C(N(C1=O)c2ccc(Br)cc2)c3cc(ccc3Cl)[N+](=O)[O-])\c4ccc(cc4C)N(CCC#N)CCC#N"	0	""	""	1	1	"3004303"	NA
"643757"	643757	"Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate"	"CCCCCCCCCCCCn1nc(C)c(C(=S)SCCCCCCCC)c1O"	0	""	""	2	1	"370530"	NA
"643761"	643761	"AT-417/43484827"	"CC1=NN(C(=O)C1=C2SCCS2)c3ccccc3"	0	""	""	2	1	"370534"	NA
"643769"	643769	"o-bromo-.alpha.-benzoyl cinnamonitrile"	"Brc1ccccc1\C=C(/C#N)\C(=O)c2ccccc2"	0	""	""	2	2	"6061570"	NA
"643779"	643779	""	"CCOC(=O)\C(=C\c1ccc(cc1)C#N)\N(CC)CC"	0	NA	NA	1	1	"501733"	NA
"643812"	643812	"Antineoplastic-643812"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	NA	NA	6	3	"501752"	NA
"643813"	643813	"3'-o-(carboxymethyl)-(z)-combretastatin 4-a, na salt, hy..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)O"	0	NA	NA	5	4	"501753"	NA
"643826"	643826	"8-aza-3,5-dioxa-4-phosphahexacosan-1-aminium, 4-hydroxy-..."	"CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	3	"131966"	NA
"643827"	643827	"8-aza-3,5-dioxa-4-phosphahexacosan-1-aminium, 4-hydroxy-..."	"CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)(O)OCC[N+](C)(C)C"	0	""	""	3	3	"131972"	NA
"643828"	643828	"9-aza-3,5-dioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy..."	"CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	""	""	4	2	"131968"	NA
"643829"	643829	"1,1'-Hexane-1,6-diylbis(3,3-dimethyl-1,3-dihydro-2H-indol-2-one)"	"CC1(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)c3ccccc23)c4ccccc14"	0	""	""	1	1	"370576"	NA
"643833"	643833	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C(=C3N(Cc4cc5ccccc5nc34)C2=O)Cl"	0	"TOP1"	""	4	4	"6711820"	NA
"643835"	643835	"Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"16683185"	NA
"643836"	643836	"[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(OC)c(OC)c1OC)OC(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	3	2	"16683186"	NA
"643837"	643837	"Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)OC(=O)c2cc(OC)c(OC)cc2OC"	0	""	""	1	1	"16683573"	NA
"643838"	643838	"[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1F)OC(=O)c2ccccc2F"	0	""	""	3	2	"16683574"	NA
"643840"	643840	"[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c2ccc(F)cc2"	0	""	""	2	2	"16683575"	NA
"643841"	643841	"[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1c(F)cccc1F)OC(=O)c2c(F)cccc2F"	0	""	""	1	1	"16683188"	NA
"643842"	643842	"[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c2cccc(F)c2F"	0	""	""	1	1	"16683576"	NA
"643843"	643843	"[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)OC(=O)c2cc(F)cc(F)c2"	0	""	""	1	1	"16683577"	NA
"643844"	643844	"[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)OC(=O)c2cc(F)ccc2F"	0	""	""	1	1	"16683578"	NA
"643845"	643845	"LS-28225"	"CCCC[Sn](CCCC)(OC(=O)c1ccc(C)c(N)c1)OC(=O)c2ccc(C)c(N)c2"	0	""	""	1	1	"16683189"	NA
"643846"	643846	"1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane"	"CC[Sn](CC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)O[Sn](CC)(CC)OC(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	2	2	"16683190"	NA
"643847"	643847	"Neuro_000324"	"CCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	3	3	"16683191"	NA
"643848"	643848	"1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)O[Sn](CCCC)(CCCC)OC(=O)c2cc(OC)c(OC)cc2OC"	0	""	""	2	1	"16683192"	NA
"643849"	643849	"[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1F)O[Sn](CC)(CC)OC(=O)c2ccccc2F"	0	""	""	2	2	"16683193"	NA
"643850"	643850	"[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1cccc(F)c1)O[Sn](CC)(CC)OC(=O)c2cccc(F)c2"	0	""	""	1	1	"16683194"	NA
"643851"	643851	"[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(F)cc1)O[Sn](CC)(CC)OC(=O)c2ccc(F)cc2"	0	""	""	1	1	"16683195"	NA
"643852"	643852	"[[(2,6-Difluorobenzoyl)oxy-diethyl-stannyl]oxy-diethyl-stannyl] 2,6-difluorobenzoate"	"CC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c2c(F)cccc2F"	0	""	""	1	1	"16683196"	NA
"643853"	643853	"Neuro_000325"	"CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c2cccc(F)c2F"	0	""	""	3	3	"16683197"	NA
"643854"	643854	"[dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 3,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)O[Sn](CCCC)(CCCC)OC(=O)c2cc(F)cc(F)c2"	0	""	""	1	1	"16683198"	NA
"643855"	643855	"Neuro_000326"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)O[Sn](CCCC)(CCCC)OC(=O)c2cc(F)ccc2F"	0	""	""	3	3	"16683199"	NA
"643856"	643856	"[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1OC)O[Sn](CC)(CC)OC(=O)c2ccccc2OC"	0	""	""	1	1	"16683200"	NA
"643857"	643857	"[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate"	"CC[Sn](CC)(OC(=O)c1cccc(OC)c1)O[Sn](CC)(CC)OC(=O)c2cccc(OC)c2"	0	""	""	2	2	"16683201"	NA
"643858"	643858	"[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate"	"CCCC[Sn](CCCC)(OC(=O)Cc1ccc(F)cc1)OC(=O)Cc2ccc(F)cc2"	0	""	""	1	1	"16683202"	NA
"643859"	643859	"Neuro_000327"	"CCC[Sn](CCC)(OC(=O)Cc1ccc(F)cc1)O[Sn](CCC)(CCC)OC(=O)Cc2ccc(F)cc2"	0	""	""	3	3	"16683203"	NA
"643860"	643860	"Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)\C=C\c1ccccc1F)OC(=O)\C=C\c2ccccc2F"	0	""	""	3	2	"16683204"	NA
"643861"	643861	"[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)c1cccnc1SC)OC(=O)c2cccnc2SC"	0	""	""	1	1	"16683205"	NA
"643862"	643862	"Neuro_000328"	"CCC[Sn](CCC)(OC(=O)c1cccnc1SC)O[Sn](CCC)(CCC)OC(=O)c2cccnc2SC"	0	""	""	3	3	"16683206"	NA
"643863"	643863	"[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)c1nccnc1N)OC(=O)c2nccnc2N"	0	""	""	1	1	"16683207"	NA
"643864"	643864	"Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane"	"CCCC[Sn](CCCC)(SC1=NCCS1)SC2=NCCS2"	0	""	""	2	2	"9571331"	NA
"643910"	643910	"Maybridge1_006365"	"CCOC(=O)C1=C(C)NC(=S)NC1c2ccccc2"	0	""	""	2	1	"2737412"	NA
"643913"	643913	"Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,6-dihydropyrimidine-5-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=O)NC1c3ccccc3"	0	""	""	1	1	"370620"	NA
"643915"	643915	"naphtho[2,3-d]oxazole-4,9-dione, 2-(1,1-dimethylethyl)-"	"CC(C)(C)c1oc2C(=O)c3ccccc3C(=O)c2n1"	0	""	""	5	3	"370622"	NA
"643926"	643926	""	"OC(=O)[C@@H]1OCCOCCOC([C@@H](OCCOCCOC1C(=O)O)C(=O)O)C(=O)O"	0	NA	NA	2	1	"501817"	NA
"644011"	644011	"RCL S107441"	"O=C1C=CC(=O)c2c3C4c5ccccc5C(c6ccccc46)c3c7C8c9ccccc9C(c%10ccccc8%10)c7c12"	0	""	""	4	4	"370649"	NA
"644040"	644040	"1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)N5CCN(CCO)CC5)cc1"	0	""	""	1	1	"370664"	NA
"644043"	644043	"N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1"	0	""	""	3	3	"370667"	"165121460"
"644044"	644044	"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1"	0	""	""	1	1	"370668"	NA
"644046"	644046	"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-"	"Cc1onc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)c1"	0	""	""	1	1	"370670"	NA
"644191"	644191	""	"CS(=O)(C)[Pt+2](C#O)([c-]1ccccc1)[c-]2ccccc2"	0	NA	NA	1	1	"501887"	NA
"644210"	644210	"destruxin a"	"CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O"	0	""	""	2	2	"370709"	NA
"644211"	644211	"Chlorodestruxin"	"CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O"	0	NA	NA	2	2	"501903"	NA
"644221"	644221	""	"CN(C)CCNC(=O)c1cccc2Oc3cccc(c3Oc12)[N+](=O)[O-]"	0	NA	NA	1	1	"501913"	NA
"644258"	644258	"1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphinine 1-oxide"	"CCCCOP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	1	1	"370738"	NA
"644259"	644259	"4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide"	"CCOP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	2	1	"370739"	NA
"644271"	644271	"4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole"	"COc1c(ccc2ccccc12)C3=NC(CO3)C(C)C"	0	""	""	1	1	"370748"	NA
"644279"	644279	""	"O=CC[C@H]1CCc2ccccc2C13CCC(=O)CC3"	0	NA	NA	1	1	"501950"	NA
"644304"	644304	""	"CO[C@@H]([C@H](C)N(C)c1ccc2ccccc2c1C3=NC(C)(C)CO3)c4ccccc4"	0	NA	NA	1	1	"501975"	NA
"644323"	644323	""	"Cc1ccc(cc1)S(=O)(=O)ON\N=C\2/[C@H]3CCCC[C@H]3C4OC24"	0	NA	NA	1	1	"501994"	NA
"644326"	644326	"[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]oxy-lambda3-iodanyl] trifluoromethanesulfonate"	"FC(F)(F)S(=O)(=O)OI(OI(OS(=O)(=O)C(F)(F)F)c1ccccc1)c2ccccc2"	0	""	""	1	1	"370804"	NA
"644328"	644328	"N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine"	"CCSC1(CC(Cc2ccc(OC)cc2)N(C1)\C=N\C(C)(C)C)SCC"	0	""	""	1	1	"370806"	NA
"644340"	644340	"Diethyl 5,10-dimethyl-5,7,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,11-tetraene-7,8-dicarboxylate"	"CCOC(=O)N1N(C(=O)OCC)c2c(ccn2C)c3ccn(C)c13"	0	""	""	1	1	"370817"	NA
"644474"	644474	"N'-(4-chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide"	"C\C(=N/NC(=O)CC(=O)N(C(=O)c1ccc(Cl)cc1)c2ccc(C)cc2)\c3ccccc3O"	0	""	""	1	1	"135499196"	NA
"644579"	644579	"4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile"	"N#Cc1ccc(cc1)C2OCC3CC=CCC3CO2"	0	""	""	1	1	"370857"	NA
"644582"	644582	"hydrazinecarboximidamide, 2-[(1h-indol-3-yl)methylene]- ..."	"N=C(N\N=C\c1c[nH]c2ccccc12)Nc3ccccc3"	0	NA	NA	5	3	"581685"	NA
"644607"	644607	"2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol"	"OCCNCCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3"	0	""	""	1	1	"5466853"	NA
"644614"	644614	"1-[2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate"	"Cc1cc(C)[n+](CCOc2ccc(cc2)\C(=C(\Cl)/c3ccccc3)\c4ccccc4)c(C)c1"	0	""	""	3	3	"24202368"	NA
"644621"	644621	""	"CCOC(=O)Nc1cc2nnc(nc2c(N)n1)c3ccccc3"	0	NA	NA	1	1	"502085"	NA
"644622"	644622	"3,5-Dichloro-2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl 4-nitrobenzoate"	"COC1=CC(=Nc2c(Cl)cc(Cl)cc2OC(=O)c3ccc(cc3)[N+](=O)[O-])C=C(OC)C1=O"	0	""	""	2	1	"370888"	NA
"644644"	644644	"N-(4-Bromophenyl)-4-phenyl-1,2,3,8-tetrazatricyclo[7.4.0.02,6]trideca-3,5,8,10,12-pentaen-7-imine"	"Brc1ccc(cc1)\N=C/2\N=C3C=CC=CN3n4nc(cc24)c5ccccc5"	0	""	""	1	1	"370906"	NA
"644649"	644649	"megaphone acetate"	"CO[C@H]1CCC(=O)C(CC=C)(C1)[C@H](C)[C@@H](OC(=O)C)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	1	1	"502110"	NA
"644651"	644651	"methoxymethyldispiro[[?]]one"	"COCC1C(=O)c2cc3OCOc3cc2C14C=CC5(OCCO5)C=C4"	0	""	""	1	1	"370913"	NA
"644720"	644720	"MYQDQLNZLSSLJX-UHFFFAOYSA-N"	"O=C1NC2=CC=CC=CC2=C1c3nc4ccccc4[nH]3"	0	""	""	1	1	"370919"	NA
"644727"	644727	"Methyl N-[(Z)-[2-(3-nitroanilino)-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-oxoethylidene]amino]carbamate"	"COC(=O)N\N=C(/C(=O)Nc1cccc(c1)[N+](=O)[O-])\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	"135499200"	NA
"644747"	644747	"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	"Clc1ccc(cc1Cl)C(=O)C(C2OC(=O)c3ccccc23)C(=O)C(=O)Nc4cc(Cl)c(Cl)cc4Cl"	0	""	""	1	1	"370942"	NA
"644751"	644751	"4-[2-[(3,4-Dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	"FC(F)(F)c1cccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)c1"	0	""	""	4	4	"370946"	NA
"644761"	644761	"4-(3,4-Dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"370956"	NA
"644772"	644772	"N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	"370967"	NA
"644773"	644773	"Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)N)c1csc(n1)n2nc(cc2c3ccccc3)c4ccccc4"	0	""	""	2	1	"370968"	NA
"644779"	644779	"N-(5-Amino-1H-1,2,4-triazol-3-yl)-6-chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide"	"Nc1nnc(NC(=O)C2=NS(=O)(=O)c3cc(c(Cl)cc3N2)S(=O)(=O)N)[nH]1"	0	""	""	1	1	"3004318"	NA
"644780"	644780	"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxo-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]butanoate"	"COC(=O)C(C(=O)C(=O)Nc1nnc(S)[nH]1)c2csc(n2)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"3004319"	NA
"644789"	644789	""	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)\C=C\c4ccccc4)c(c1)C#N"	0	NA	NA	1	1	"502180"	NA
"644790"	644790	"N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"CC(=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4)cc1"	0	""	""	1	1	"370984"	NA
"644793"	644793	"2-[2-(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinyl]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide"	"Nn1c(S)nnc1NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl"	0	""	""	1	1	"3000683"	NA
"644811"	644811	"acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate"	"CC1(CO)CCC[C@@]2(C)C1[C@@H](C[C@H]3CC(=O)C4(C)CCC23C4)OC(=O)c5ccccc5"	0	""	""	2	2	"370991"	NA
"644860"	644860	"2-[5-[1-(2-Hydroxyethyl)-3,7,8,8a-tetrahydro-2H-imidazo[1,2-a]pyridin-6-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl]ethanol"	"OCCN1CCN2C=C(CCC12)C3CCCC4N(CCO)CCN34"	0	""	""	2	2	"370999"	NA
"644864"	644864	"Isopropyl 2-(bis(acetyloxy)methyl)nicotinate"	"CC(C)OC(=O)c1cccnc1C(OC(=O)C)OC(=O)C"	0	""	""	1	1	"371001"	NA
"644877"	644877	"6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate"	"CCN(CC)C(=O)Oc1ccc(\C=N\O)nc1"	0	""	""	1	1	"135499213"	NA
"644881"	644881	"(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide"	"C[N+]1=C(OCC1(C)C)c2cccnc2\C=N\O"	0	""	""	1	1	"135499214"	NA
"644902"	644902	"benzo[b]naphtho[2,3-d]furan-6,11-dione, 4-chloro-3-hydroxy"	"Oc1cc2oc3C(=O)c4ccccc4C(=O)c3c2cc1Cl"	0	""	""	5	4	"371025"	NA
"644906"	644906	""	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"502221"	NA
"644908"	644908	"(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one"	"C1C(=[O][Pb+4]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O]=C1c5ccccc5)c6ccccc6"	0	""	""	3	3	"16683210"	NA
"644909"	644909	""	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	2	2	"502224"	NA
"644911"	644911	"(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	"C1C(=[O][Sn+4]2([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([O]=C(CC(=[O]2)c5ccccc5)c6ccccc6)[O]=C1c7ccccc7)c8ccccc8"	0	""	""	1	1	"16683213"	NA
"644915"	644915	"2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one"	"C1=CC=C2C(=[O][Tl+3]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]2)C=C1"	0	""	""	1	1	"16684399"	NA
"644916"	644916	"antineoplastic-644916"	"C1C(=[O][Tl+3]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)[O]=C1c4ccccc4)c5ccccc5"	0	""	""	3	3	"16684400"	NA
"644919"	644919	""	"[CH2-][Sn+4]1([CH2-])([CH2-])[O]=C(CC(=[O]1)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"502234"	NA
"644920"	644920	"(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	"[I-][Sn+4]12([I-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	""	""	1	1	"16683217"	NA
"644921"	644921	""	"C[CH-][Tl+3]1([CH-]C)[O]=C(CC(=[O]1)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"502236"	NA
"644922"	644922	""	"C1CC[C-](CC1)[Sn+4]2([C-]3CCCCC3)([C-]4CCCCC4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"502237"	NA
"644923"	644923	"2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one"	"[CH2-][Sn+4]1([CH2-])([CH2-])[O]=C2C=CC=CC=C2[O-]1"	0	""	""	1	1	"16683219"	NA
"644924"	644924	"2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one"	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C3C=CC=CC=C3[O-]1)[O]=C4C=CC=CC=C4[O-]2"	0	""	""	1	1	"16683220"	NA
"644925"	644925	"2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one"	"C1=CC=C2C(=[O][Sn+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C6C=CC=CC=C6[O-]3)[O-]2)C=C1"	0	""	""	2	1	"16683221"	NA
"644926"	644926	"2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-"	"C1CC[C-](CC1)[Sn+4]2([C-]3CCCCC3)([C-]4CCCCC4)[O]=C5C=CC=CC=C5[O-]2"	0	""	""	1	1	"16683222"	NA
"644933"	644933	""	"CC1=[O][Tl+3]23([O]=C(C)CC(=[O]2)c4ccccc4)([O]=C(C)CC(=[O]3)c5ccccc5)[O]=C(C1)c6ccccc6"	0	NA	NA	2	1	"502248"	NA
"644934"	644934	"bisacetylacetone ethylenediimine tin"	"CC1=O[Sn+2]23(O=C(C)[CH-]C(=O2)C)(O=C(C)[CH-]1)[NH+]=CC=[NH+]3"	0	NA	NA	3	3	"581689"	NA
"644945"	644945	"furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one, 5,5a,6,8..."	"COc1cc(cc(OC)c1O)C2C3[C@@H](COC3=O)[C@@H](OCCN(C)C)c4cc5OCOc5cc24"	0	""	""	3	2	"371049"	NA
"644946"	644946	"furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-(..."	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](OCCN)c4cc5OCOc5cc24"	0	""	""	2	2	"371051"	"120004979"
"644947"	644947	"(5S,5aS)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](Nc4ccc(cc4)N(C)C)c5cc6OCOc6cc25"	0	""	""	2	2	"371053"	NA
"644949"	644949	"KUC100227"	"Clc1ccc2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	"371056"	NA
"644959"	644959	"MCS-687"	"CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1"	0	""	""	1	1	"371060"	NA
"644960"	644960	"MCS-688"	"CCCN(CCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O"	0	""	""	4	3	"371061"	NA
"644961"	644961	"MCS-689"	"CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc2ccccc2"	0	""	""	3	3	"371062"	NA
"644966"	644966	"MCS-694"	"CCCN(CCCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O"	0	""	""	4	3	"371067"	NA
"644967"	644967	"2-acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide"	"CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc2ccccc2"	0	""	""	4	3	"371068"	NA
"645008"	645008	"intoplicine"	"CN(C)CCCNc1ncc(C)c2[nH]c3ccc4cc(O)ccc4c3c12.CS(=O)(=O)O"	0	""	""	3	2	"371069"	NA
"645016"	645016	""	"COc1cc2CCN3[C@H](C(COC(=O)c4ccccc4)CS/C/3=N/c5ccccc5)c2cc1OC"	0	NA	NA	1	1	"502282"	NA
"645017"	645017	"1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthraquinone"	"NCCNc1ccc(NCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	4	4	"125982"	NA
"645018"	645018	"1,4-bis(n-cysteinyldiethylamino)-5,8-dihydroxy anthraquinon"	"NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CS)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	3	3	"438534"	NA
"645019"	645019	"jayama"	NA	0	NA	NA	2	1	"502283"	NA
"645020"	645020	"galiellalactone"	"C[C@@H]1C[C@@H]2CC[C@@H]3OC(=O)C(=C1)[C@]23O"	0	""	""	1	1	"6711856"	NA
"645052"	645052	"3-(2,4,6-trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5-..."	"Cc1cc(C)c(c(C)c1)c2noc(c3ccc(Cl)cc3)c2C4=NCCCN4"	0	""	""	1	1	"371105"	NA
"645069"	645069	"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one"	"O=C(\C=C\c1ccccc1)c2ccc(NCc3nc4ccccc4[nH]3)cc2"	0	""	""	2	1	"6105764"	NA
"645070"	645070	"(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one"	"Brc1ccc(\C=C\C(=O)c2ccc(NCc3nc4ccccc4[nH]3)cc2)cc1"	0	""	""	2	1	"5839697"	NA
"645087"	645087	"thiopyrano[3,2-c]pyrazol-3(2h)-one, 1,5,6,7-tetrahydro-1..."	"CC(=O)N1N(C(=O)C2=C1CCCS2=O)c3ccccc3"	0	""	""	2	2	"371127"	"124187811"
"645115"	645115	"carbamothioic acid, [4-chloro-3-(2-butenyloxy)phenyl]-, ..."	"C\C=C/COc1cc(NC(=S)OC(C)C)ccc1Cl.C\C=C\COc2cc(NC(=S)OC(C)C)ccc2Cl"	0	NA	NA	1	1	"502346"	NA
"645145"	645145	"benzeneamine, 4-[(9-acridinyl)thio]-"	"Nc1ccc(Sc2c3ccccc3nc4ccccc24)cc1"	0	""	""	4	4	"371141"	NA
"645150"	645150	"6-Chloro-2-methoxy-9-[(2-methyl-4-nitrophenyl)sulfanyl]acridine"	"COc1ccc2nc3cc(Cl)ccc3c(Sc4ccc(cc4C)[N+](=O)[O-])c2c1"	0	""	""	1	1	"371146"	NA
"645151"	645151	"3-acridineamine, 9-[[(4-nitrophenyl)methyl]thio]-"	"Nc1ccc2c(SCc3ccc(cc3)[N+](=O)[O-])c4ccccc4nc2c1"	0	""	""	4	4	"371147"	NA
"645153"	645153	"1,1'-biphenyl-2,2'-diamine, n,n'-bis[2-[9(10h)thioxo-3-a..."	"O=C(CNc1ccc2C(=S)c3ccccc3Nc2c1)Nc4ccccc4c5ccccc5NC(=O)CNc6ccc7C(=S)c8ccccc8Nc7c6"	0	""	""	4	2	"3004325"	NA
"645157"	645157	"4,7-[bis-n,n'-(3-amino-9-thioacetamido)-acridine]-biphenyl"	"Nc1ccc2c(SCC(=O)Nc3ccccc3c4ccccc4NC(=O)CSc5c6ccccc6nc7cc(N)ccc57)c8ccccc8nc2c1"	0	""	""	4	3	"371156"	NA
"645158"	645158	"3-nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine"	"[O-][N+](=O)c1ccc2c(Nc3ccccc3c4ccccc4Nc5c6ccccc6nc7cc(ccc57)[N+](=O)[O-])c8ccccc8nc2c1"	0	""	""	5	3	"3694250"	NA
"645159"	645159	"6-Chloro-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]phenyl]-2-methoxyacridin-9-amine"	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccccc4c5ccccc5Nc6c7ccc(Cl)cc7nc8ccc(OC)cc68)c2c1"	0	""	""	3	3	"371158"	NA
"645161"	645161	"1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione"	"CCN(CC)CCN1C=CC(=O)c2cc3C(=O)C=CN(CCN(CC)CC)c3c(C)c12"	0	""	""	3	3	"371160"	NA
"645162"	645162	"BG-461"	"Cc1cc(ccc1Sc2c3ccccc3nc4cc(Cl)ccc24)[N+](=O)[O-]"	0	""	""	1	1	"371161"	NA
"645163"	645163	"9-[(2-Methyl-4-nitrophenyl)sulfanyl]acridine"	"Cc1cc(ccc1Sc2c3ccccc3nc4ccccc24)[N+](=O)[O-]"	0	""	""	1	1	"371162"	NA
"645164"	645164	"N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide"	"COc1ccc2nc3cc(Cl)ccc3c(Sc4ccc(NC(=O)C)cc4)c2c1"	0	""	""	2	2	"371163"	NA
"645166"	645166	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methylideneamino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(cc1)\N=C\c2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)C(=O)OCC"	0	""	""	2	1	"371165"	NA
"645167"	645167	"Diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	"371166"	NA
"645168"	645168	"N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine"	"COc1ccc(Nc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"371167"	NA
"645170"	645170	"3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	"Nc1cc(cc2nc(c(N)nc12)c3ccccc3)C(F)(F)F"	0	""	""	1	1	"371169"	NA
"645205"	645205	"nklb"	NA	0	NA	NA	3	2	"502411"	NA
"645207"	645207	"2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	"Fc1ccc(CC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1"	0	""	""	2	2	"371175"	NA
"645210"	645210	"1,4-naphthalenedione, 2-chloro-3-[[2-(2-fluorophenyl)- 1..."	"Fc1ccccc1CC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	4	3	"371178"	NA
"645214"	645214	"9-Ethoxy-2-[1-(2-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one"	"CCOC1=C2N=C(N=C2C(=O)c3ccccc13)C(CC)c4ccccc4F"	0	""	""	1	1	"371182"	NA
"645238"	645238	"[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]"	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].S(c1ccc(cc1)[S+](c2ccccc2)c3ccccc3)c4ccc(cc4)[S+](c5ccccc5)c6ccccc6"	0	""	""	1	1	"498987"	NA
"645253"	645253	"7-Hydroxy-1-(4-methoxybenzyl)-2-methylisoquinolin-6(2H)-one"	"COc1ccc(Cc2c3cc(O)c(O)cc3cc[n+]2C)cc1"	0	""	""	2	2	"371203"	NA
"645257"	645257	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate"	"COc1cc(Br)c(\C=N/c2cccc3ccc(OS(=O)(=O)c4ccc(cc4)[N+](=O)[O-])cc23)cc1OC"	0	""	""	1	1	"371207"	NA
"645260"	645260	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate"	"COc1cc(Br)c(\C=N/c2cccc3ccc(OS(=O)(=O)c4cccc(c4)[N+](=O)[O-])cc23)cc1OC"	0	""	""	1	1	"371211"	NA
"645265"	645265	"1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene"	"COc1ccc(OC)c(CCc2cc(OC)c(OC)cc2C)c1"	0	""	""	1	1	"371216"	NA
"645283"	645283	"3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione"	"COc1ccc(CCN2C(=O)N(C)c3ccccc3C2=O)cc1"	0	""	""	1	1	"371226"	NA
"645301"	645301	""	"COc1cc2cnc3c4ccccc4ccc3c2cc1OC.COc5cc6c[n+](C)c7c8ccccc8ccc7c6cc5OC.CS(=O)(=O)[O-]"	0	NA	NA	4	4	"581694"	NA
"645302"	645302	"6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine"	"CCOC1N(C)c2c(ccc3ccccc23)c4cc(OC)c(OC)cc14"	0	""	""	3	3	"371245"	NA
"645304"	645304	"N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine"	"COc1cc2cccc(\N=C/c3ccccc3Cl)c2cc1OC"	0	""	""	1	1	"371247"	NA
"645305"	645305	""	"COc1ccc2c[n+](C)c3c(ccc4cc(OC)c(OC)cc34)c2c1"	0	NA	NA	4	3	"581695"	NA
"645306"	645306	""	"COc1ccc2c(c1)c[n+](C)c3c2ccc4cc(OC)c(OC)cc34"	0	NA	NA	4	4	"581696"	NA
"645307"	645307	"3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine"	"COc1cc2cnc3c(ccc4ccc(OCc5ccccc5)cc34)c2cc1OC"	0	""	""	1	1	"371248"	NA
"645310"	645310	"8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine"	"CCOc1cc2cnc3c(ccc4cc(OC)c(OC)cc34)c2cc1OC"	0	""	""	1	1	"371252"	NA
"645312"	645312	"2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide"	"COc1cc(C(=O)Nc2cccc3ccccc23)c(Br)c(OC)c1OC"	0	""	""	1	1	"371255"	NA
"645315"	645315	"oxyacanthine"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	""	""	1	1	"371257"	NA
"645317"	645317	"Sanguilutine pseudobase"	"COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(O)[n+](C)c3c2cc1OC"	0	""	""	3	2	"371258"	NA
"645319"	645319	"cowlteropine"	"COc1c2OCOc2cc3CCN(C)Cc4c(CC(=O)c13)ccc5OCOc45"	0	""	""	1	1	"371260"	NA
"645323"	645323	""	"COc1ccc2[nH]c3[C@H]4[C@@H]([C@@H]5CC(CC[C@@H]5c3c2c1)C(C)(C)C)C(=O)N(C4=O)c6ccccc6"	0	NA	NA	2	2	"502497"	NA
"645326"	645326	""	"COc1ccc2[nH]c3[C@@H]4[C@H](C[C@@H](c5ccccc5)c3c2c1)C(=O)N(C4=O)c6ccccc6"	0	NA	NA	1	1	"502500"	NA
"645328"	645328	"7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	"COc1ccc2[nH]c3c4C(=O)N(C(=O)c4cc(c5ccccc5)c3c2c1)c6ccccc6"	0	""	""	2	2	"371269"	NA
"645329"	645329	"10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	"O=C1N(C(=O)c2c1ccc3c4ccccc4n(Cc5ccccc5)c23)c6ccccc6"	0	""	""	2	2	"371270"	NA
"645330"	645330	"11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-"	"Cc1cccc2c1c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	2	2	"371271"	NA
"645351"	645351	"[bis(aminomethyl)diethylsilane]dichloroplatinum (ii)"	"[Cl-][Pt+2]1([Cl-])NC[Si](CC)(CC)CN1"	0	NA	NA	5	4	"581697"	NA
"645352"	645352	"[bis(aminomethyl)diethylsilane]tetrachloroplatinum (iv)"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](CC)(CC)CN1"	0	NA	NA	1	1	"581698"	NA
"645353"	645353	"[bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin..."	"[Cl-][Pt+2]1([Cl-])NC[Si]2(CCCC2)CN1"	0	NA	NA	3	3	"581699"	NA
"645354"	645354	"[bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si]2(CCCC2)CN1"	0	NA	NA	3	2	"581700"	NA
"645355"	645355	"[bis(aminomethyl)cyclopentamethylenesilane]dichloroplati..."	"[Cl-][Pt+2]1([Cl-])NC[Si]2(CCCCC2)CN1"	0	NA	NA	3	2	"581701"	NA
"645356"	645356	"[bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si]2(CCCCC2)CN1"	0	NA	NA	3	2	"581702"	NA
"645362"	645362	"(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene-2,6,9-trione"	"CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C3=C1C(=O)C=CC3=O"	0	""	""	2	2	"371285"	NA
"645365"	645365	""	"Cc1ccc(c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12)[N+](=O)[O-]"	0	NA	NA	1	1	"502526"	NA
"645369"	645369	"1-[(2-hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-n..."	"Cc1ncc([N+](=O)[O-])n1CC(O)Cn2cnc(n2)[N+](=O)[O-]"	0	""	""	1	1	"371294"	NA
"645376"	645376	"4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile"	"N#Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(cc2)C#N)cc1"	0	""	""	1	1	"371302"	NA
"645384"	645384	"3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione"	"CC1=C(CCl)C(=O)Oc2c(C)c3OC=C(CCl)C(=O)c3cc12"	0	""	""	1	1	"371310"	NA
"645389"	645389	"(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenyl-prop-2-en-1-one"	"O=C(COc1ccc(\C=C\C(=O)c2ccccc2)cc1)N3CCN(CC3)c4ccccc4"	0	""	""	2	1	"5466903"	NA
"645393"	645393	"2-propen-1-one, 1-(4-methoxyphenyl)-3-[4-[2-oxo- 2-(4-ph..."	"COc1ccc(cc1)C(=O)\C=C\c2ccc(OCC(=O)N3CCN(CC3)c4ccccc4)cc2"	0	""	""	4	1	"5466905"	NA
"645394"	645394	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc3c(Cl)cccc3Cl"	0	""	""	1	1	"5466906"	NA
"645396"	645396	"2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one"	"Clc1ccc(cc1)C2=CC(=O)c3ccc(OCC(=O)N4CCN(CC4)c5ccccc5)cc3O2"	0	""	""	1	1	"371322"	NA
"645397"	645397	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide"	"Clc1ccc(cc1)C(=O)\C=C\c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2"	0	""	""	1	1	"5466907"	NA
"645429"	645429	"pyrrolo[3,2,1-hi]indole-7-carboxylic acid, 1-ethyl-1,2,4..."	"CCC1CN2CCC3(CC(=CC1C23)C(=O)OC)c4ccccc4"	0	""	""	1	1	"371325"	NA
"645431"	645431	"1H-Benz[g]indol-5-ol, 2-phenyl"	"Oc1cc2cc([nH]c2c3ccccc13)c4ccccc4"	0	""	""	2	2	"371327"	NA
"645455"	645455	"4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine"	"CC1=CCP(P(C1)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"371328"	NA
"645458"	645458	""	"[R]=O.C[C@@]12CCc3nonc3[C@H]1CC[C@H]4[C@H]2CC[C@]5(C)[C@@H]4Cc6nonc56"	0	NA	NA	1	1	"581705"	NA
"645464"	645464	"(4bR,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3C2CC[C@@]4(C)C3CC(=O)N(N)C4=O"	0	""	""	1	1	"371333"	NA
"645465"	645465	"(2R,13R,16Z,18S)-16-hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one"	"C[C@]12CCc3nonc3C1CC[C@@H]4C2CC[C@@]5(C)C4C\C(=N\O)\C5=O"	0	""	""	1	1	"54608104"	NA
"645468"	645468	"[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide"	"O=S1(=O)COc2ccccc2c3ncncc13"	0	""	""	1	1	"371337"	NA
"645527"	645527	"Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate"	"COC(=O)C(NC(=O)OCc1ccccc1)(C#CCCCCC#CC(NC(=O)OCc2ccccc2)(C(=O)OC)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"371338"	NA
"645528"	645528	"Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate"	"CCOC(=O)C1=NC(OC1=C(Cl)Cl)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"371339"	NA
"645566"	645566	"1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane"	"CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](Cl)(Cl)CC"	0	""	""	3	3	"371346"	NA
"645567"	645567	"1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane"	"CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.Cl[Sn](Cl)(Cl)c1ccccc1"	0	""	""	1	1	"371347"	NA
"645568"	645568	"(2-Hydroxy-2-phenylacetoxy)trimethyltin"	"C[Sn](C)(C)OC(=O)C(O)c1ccccc1"	0	""	""	3	2	"16683226"	NA
"645569"	645569	"Trimethylstannyl 2-acetoxy-2-phenyl-acetate"	"CC(=O)OC(C(=O)O[Sn](C)(C)C)c1ccccc1"	0	""	""	1	1	"16683227"	NA
"645570"	645570	"Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate"	"CC[Ge](CC)(CC)OC(C(=O)O[Ge](CC)(CC)CC)c1ccccc1"	0	""	""	1	1	"16683228"	NA
"645571"	645571	"Tributylgermyl 2-hydroxy-2-phenyl-acetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1"	0	""	""	2	2	"16683229"	NA
"645573"	645573	"Trimethylgermyl 2-acetoxy-2-phenyl-acetate"	"CC(=O)OC(C(=O)O[Ge](C)(C)C)c1ccccc1"	0	""	""	1	1	"16683231"	NA
"645575"	645575	"Tributylgermyl 2-acetoxy-2-phenyl-acetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(=O)C)c1ccccc1"	0	""	""	2	2	"16683233"	NA
"645576"	645576	"Tributyl((methoxy(phenyl)acetyl)oxy)germane"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1"	0	""	""	2	2	"16683234"	NA
"645578"	645578	"Tributyl((methoxy(phenyl)acetyl)oxy)stannane"	"CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1"	0	""	""	1	1	"16683236"	NA
"645583"	645583	"NOCAS_875064"	"CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCc1ccccc1"	0	""	""	1	1	"371363"	NA
"645586"	645586	""	"CS\C(=N\OC(=O)NCCCCNc1ccc(cc1)N=[N+]=[N-])\C"	0	NA	NA	1	1	"502599"	NA
"645615"	645615	""	"NC(=S)N1N=C2[C@H](CCc3ccccc23)[C@@H]1c4ccccc4"	0	NA	NA	2	2	"502628"	NA
"645616"	645616	"(3Z)-3-(4-benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccccc2"	0	""	""	5	3	"5917066"	NA
"645617"	645617	"(3Z)-1,1-dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccccn2"	0	""	""	2	2	"9571678"	NA
"645618"	645618	"thiourea, n,n-dimethyl-n'-[4-[(2-thienyl)methyl]- 3-thio..."	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2cccs2"	0	""	""	5	3	"5911714"	NA
"645619"	645619	"(3Z)-1,1-dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2cccnc2"	0	""	""	5	3	"9571679"	NA
"645620"	645620	"(3Z)-1,1-dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccncc2"	0	""	""	1	1	"9571680"	NA
"645621"	645621	"thiourea, n-[4-[(3,4,5-trimethoxyphenyl)methyl]-5-thioxo..."	"COc1cc(CN2C(=S)SS/C/2=N\C(=S)N(C)C)cc(OC)c1OC"	0	""	""	6	4	"5914108"	NA
"645632"	645632	"dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate"	"COC(=O)CCC(NC(=S)N\N=C(/C)\c1nccs1)C(=O)OC"	0	""	""	1	1	"5896716"	NA
"645633"	645633	"dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate"	"COC(=O)CCC(NC(=S)N\N=C(/C)\c1cnc2ccccc2n1)C(=O)OC"	0	""	""	1	1	"9571690"	NA
"645639"	645639	"2-[[[(E)-(5-bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate"	"CC(=O)OCCOCNC(=S)N\N=C\c1ccc(Br)s1"	0	""	""	2	1	"9571695"	NA
"645640"	645640	"2-[[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate"	"CC(=O)OCCOCNC(=S)N\N=C\c1ccc(s1)[N+](=O)[O-]"	0	""	""	1	1	"9571696"	NA
"645645"	645645	"antineoplastic-645645"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	""	""	4	3	"5466797"	NA
"645646"	645646	"antineoplastic-645646"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	""	""	5	3	"54598755"	NA
"645647"	645647	"benzamide riboside"	"NC(=O)c1cccc(c1)C2OC(CO)C(O)C2O"	0	NA	NA	4	4	"502660"	NA
"645656"	645656	"1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol"	"CCc1nc2cc(ccc2[nH]1)N=Nc3c(O)ccc4ccccc34"	0	""	""	2	1	"371434"	NA
"645658"	645658	"o-benzylfluorescein benzyl ester"	"O=C(OCc1ccccc1)c2ccccc2C3=C4C=CC(=O)C=C4Oc5cc(OCc6ccccc6)ccc35"	0	""	""	1	1	"371436"	NA
"645665"	645665	""	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)Nc3ccc(Cl)cc3)N(CCC#N)CCC#N"	0	NA	NA	3	2	"502676"	NA
"645667"	645667	""	"Cc1cc(ccc1\C=C(\NC(=O)Nc2ccc(Cl)cc2)/NC(=O)\C=C\c3ccccc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	"502678"	NA
"645668"	645668	""	"Cc1cc(ccc1\C=C\2/N=C(\C=C\c3ccccc3)N(C2=O)c4ccc(Cl)cc4)N(CCC#N)CCC#N"	0	NA	NA	3	2	"502679"	NA
"645669"	645669	""	"COc1ccc(cc1)N2C(=N\C(=C/c3ccc(cc3C)N(CCC#N)CCC#N)\C2=O)\C=C\c4ccccc4"	0	NA	NA	1	1	"502680"	NA
"645674"	645674	"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide"	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)N)N(CCC#N)CCC#N"	0	""	""	1	1	"6477344"	NA
"645676"	645676	"(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide"	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)N=[N+]=[N-])N(CCC#N)CCC#N"	0	""	""	1	1	"6477346"	NA
"645678"	645678	"S-Phenyl (E)-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-phenylsulfanylprop-2-enethioate"	"Cc1cc(ccc1\C(=C(/NC(=O)\C=C\c2ccccc2)\C(=O)Sc3ccccc3)\Sc4ccccc4)N(CCC#N)CCC#N"	0	""	""	2	2	"6477347"	NA
"645727"	645727	"carbamothioic acid, 4-chloro-3-[(1-methylethoxy) iminome..."	"CC(C)O\N=C\c1cc(NC(=S)OC(C)C)ccc1Cl"	0	""	""	3	1	"5351400"	NA
"645737"	645737	"(5S,8aR)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](OCCN(C)C)c4cc5OCOc5cc24"	0	""	""	2	2	"371464"	NA
"645744"	645744	"pyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione, 5-hydroxy- 3,6..."	"CSC1=NC2=C(C(=C(C)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)O)C(=O)N1C"	0	""	""	2	1	"54688598"	NA
"645758"	645758	"Cyclopentyl(trimethyl)silane; dichloroniobium"	"C[Si](C)(C)[C-]12C3=C4C5=C1[Nb+4]23456789([ClH-])([ClH-])C%10=C6[C-]7(C8=C9%10)[Si](C)(C)C"	0	""	""	1	1	"498994"	NA
"645777"	645777	"Leinamycin"	"C[C@H]1NC(=O)C[C@@]2(CC\C(=C\[C@@H](O)C(=O)\C=C\C=C/c3csc1n3)\C)S(=O)SC(=O)[C@]2(C)O"	0	NA	NA	3	2	"502732"	NA
"645796"	645796	"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline"	"C1COC2C(C1)C(Nc3ccccc23)c4ccccc4"	0	""	""	1	1	"371501"	NA
"645803"	645803	"n-(2-hydroxyethyl)-1-nitro-9-acridineamine, hcl salt"	"OCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	2	"371504"	"77280934"
"645804"	645804	"Antineoplastic-645804"	"CN(C)CCCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	2	"371505"	NA
"645805"	645805	"antineoplastic-645805"	"CNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	"371506"	NA
"645806"	645806	"Antineoplastic-645806"	"OCCN(CCO)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	3	"371507"	NA
"645807"	645807	"Antineoplastic-645807"	"CCN(CC)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	"371508"	NA
"645808"	645808	"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CN(C)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"371509"	NA
"645809"	645809	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"438544"	NA
"645810"	645810	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CN(C)CCCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"438545"	NA
"645811"	645811	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,5,7,9,11,13(16),14-heptaen-4-one;hydrochloride"	"CCN(CC)CCNc1ccc2ncn3c4cc(O)ccc4C(=O)c1c23"	0	""	""	2	2	"438547"	NA
"645812"	645812	"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4C(=O)c1c23"	0	""	""	3	2	"438549"	NA
"645813"	645813	"10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"COc1ccc2c(c1)C(=O)c3c(NCCCN(C)C)ccc4ncn2c34"	0	""	""	3	2	"438551"	NA
"645814"	645814	"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	2	"438553"	NA
"645815"	645815	"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid"	"OCCNCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	"438554"	NA
"645816"	645816	"10-[2-(Diethylamino)ethylamino]-5-nitro-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	3	2	"438556"	NA
"645817"	645817	"Neuro_000344"	"CN(C)CCCNc1ccc2nnn3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	3	2	"438557"	NA
"645818"	645818	"5-Chloro-10-[2-(dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nnn3c4ccc(Cl)cc4C(=O)c1c23"	0	""	""	3	2	"438558"	NA
"645819"	645819	"Neuro_000345"	"OCCNCCNc1ccc2nnn3c4ccc(Cl)cc4C(=O)c1c23"	0	""	""	3	2	"438559"	NA
"645820"	645820	"10-[2-(Dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nnn3c4ccccc4C(=O)c1c23"	0	""	""	3	1	"438560"	NA
"645821"	645821	"10-[2-(Diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccccc4C(=O)c1c23"	0	""	""	2	1	"438561"	NA
"645822"	645822	"Neuro_000346"	"OCCNCCNc1ccc2nnn3c4ccccc4C(=O)c1c23"	0	""	""	3	2	"438562"	NA
"645823"	645823	"10-[2-(Dimethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nnn3c4ccc(C)cc4C(=O)c1c23"	0	""	""	2	1	"438563"	NA
"645825"	645825	"10-[2-(Dimethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"COc1ccc2c(c1)C(=O)c3c(NCCN(C)C)ccc4nnn2c34"	0	""	""	2	2	"438565"	NA
"645827"	645827	"5-(2-(dimethylamino)ethylamino)-8-hydroxy-6h-[1,2,3]tria..."	"CN(C)CCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	NA	NA	3	2	"581732"	NA
"645828"	645828	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"438567"	NA
"645829"	645829	"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"OCCNCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	"438555"	NA
"645830"	645830	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	"438568"	NA
"645832"	645832	"10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride"	"OCCNCCNc1ccc2ncn3c4ccccc4C(=O)c1c23"	0	""	""	3	1	"371513"	NA
"645833"	645833	"10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2ncn3c4ccccc4C(=O)c1c23"	0	""	""	1	1	"438569"	NA
"645834"	645834	"10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nc(C)n3c4ccccc4C(=O)c1c23"	0	""	""	3	2	"438570"	NA
"645835"	645835	"Neuro_000347"	"CCc1nc2ccc(NCCN(C)C)c3C(=O)c4ccccc4n1c23"	0	""	""	3	2	"438571"	NA
"645838"	645838	"5-pyrimidinecaboxamide, 1,2,3,4-tetrahydro-4-hydroxy-1,3..."	"CN1C(=C(C(=O)Nc2ccc(cc2)[N+](=O)[O-])C(=O)N(C)C1=S)O"	0	""	""	3	1	"371516"	NA
"645852"	645852	"STL147558"	"O=C1NC(=S)NC(=O)C1=Cc2ccc[nH]2"	0	""	""	1	1	"135499231"	NA
"645870"	645870	""	"CC(C)(C)C#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"581740"	NA
"645876"	645876	"Methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)c3csc(n3)n4nc(cc4c5ccccc5)c6ccccc6"	0	""	""	1	1	"371547"	NA
"645877"	645877	"N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide"	"Cc1ccc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccncc4)c1"	0	""	""	1	1	"371548"	NA
"645888"	645888	"(2Z)-2-[(2,4-Dinitrophenyl)hydrazinylidene]-N-(4-methylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide"	"Cc1ccc(NC(=O)\C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\C3C(=O)NC(=O)NC3=O)cc1"	0	""	""	1	1	"9555874"	NA
"645892"	645892	"Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-"	"Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O"	0	""	""	1	1	"371563"	NA
"645911"	645911	"SDWIJRJJTZRXLT-UHFFFAOYSA-"	"Brc1nc2c3ccccc3ncn2c1Br"	0	""	""	1	1	"371576"	NA
"645931"	645931	"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine"	"COc1cc(CNc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	1	"371581"	NA
"645976"	645976	"carbamic acid, (7,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]de..."	"CC(C)(C)OC(=O)N[C@H]1CC2(OC1=O)C=C(Cl)C(=O)C(=C2)Cl"	0	NA	NA	3	2	"502816"	NA
"645979"	645979	"UPCMLD00W3025"	"O=C(N[C@H]1CC2(OC1=O)C=CC(=O)C=C2)OCc3ccccc3"	0	""	""	3	3	"371587"	NA
"645980"	645980	"benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate"	"IC1=CC2(C[C@H](NC(=O)OCc3ccccc3)C(=O)O2)C=C(I)C1=O"	0	""	""	1	1	"371588"	NA
"645984"	645984	"bis(2-nitrophenyl)sulfilimine"	"[O-][N+](=O)c1ccccc1S(=N)c2ccccc2[N+](=O)[O-]"	0	""	""	3	2	"371591"	NA
"645986"	645986	""	"OCC1OC(CC1O)N2C=C(C#Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)NC2=O"	0	NA	NA	2	1	"502824"	NA
"645987"	645987	"1,4-benzenediol, 2,5-bis(1-pyrazolyl)-"	"Oc1cc(c(O)cc1n2cccn2)n3cccn3"	0	""	""	4	2	"371593"	NA
"645991"	645991	""	"C[C@]1(CC(O)C2C(OC(=O)C2=C)[C@H]1C(=C)C=O)C=C"	0	NA	NA	3	3	"502829"	NA
"645992"	645992	"specionin"	"O[C@H]1Cc2ccc(O)cc2OC(=O)\C=C/1\c3ccc(O)cc3"	0	NA	NA	1	1	"502830"	NA
"645993"	645993	"mixture of specioside a & b"	"OCC1OC(O[C@H]2Cc3ccc(O)cc3OC(=O)\C=C/2\c4ccc(O)cc4)C(O)C(O)C1O.OCC5OC(Oc6ccc7C[C@@H](O)\C(=C/C(=O)Oc7c6)\c8ccc(O)cc8)C(O)C(O)C5O"	0	NA	NA	1	1	"502831"	NA
"645994"	645994	""	"COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC34OOC(CC23)C(=C4)C(C)C"	0	NA	NA	1	1	"502832"	NA
"645997"	645997	""	"CC[C@]1(C)C(O)C[C@@H]2C(OC(=O)C2=C)[C@H]1C(=C)C=O"	0	NA	NA	2	2	"502835"	NA
"645998"	645998	""	"C\C\1=C/CC\C(=C\C2OC(=O)C(=C)[C@@H]2CC1O)\C=O"	0	NA	NA	2	2	"502836"	NA
"646005"	646005	"Brialmontin 1"	"COc1cc(C)c(C)c(OC(=O)c2c(C)c(C)c(OC)c(C)c2OC)c1C"	0	""	""	1	1	"371612"	NA
"646008"	646008	"Pannarin"	"COc1cc(C)c2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C"	0	""	""	1	1	"162780"	NA
"646012"	646012	"(1R,2S,6S,10S,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol"	"C[C@]1(O)CC[C@@]23CC1C[C@@H]2CCC4[C@@](C)(CO)CCC[C@]34C"	0	""	""	1	1	"5459204"	NA
"646024"	646024	"2,5-bis(6'-bromo-3'-indolyl)piperazine"	"Brc1ccc2c(c[nH]c2c1)[C@H]3CNC(CN3)c4c[nH]c5cc(Br)ccc45"	0	NA	NA	2	1	"502862"	NA
"646032"	646032	""	"CCN(CC)Cc1cc(Nc2ccnc3ccc4nn(C)nc4c23)ccc1O"	0	NA	NA	1	1	"502865"	NA
"646033"	646033	"2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol"	"Cn1nc2ccc3nccc(NCCNCCO)c3c2n1"	0	""	""	1	1	"371632"	NA
"646034"	646034	"N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine"	"CCN1CCN(CC1)c2ccc(Nc3ccnc4ccc5nn(C)nc5c34)cc2"	0	""	""	1	1	"371633"	NA
"646098"	646098	"2-[(E)-(3-fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)cc1F.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"50989442"	NA
"646101"	646101	"2-[(E)-(2-Bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1cc(Br)c(\C=N\NC(=N)NO)cc1OC.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"9574162"	NA
"646105"	646105	"2-[(E)-(2-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1cc(\C=N\NC(=N)NO)c(Cl)cc1O.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"135499237"	NA
"646106"	646106	"2-[(E)-(2-Chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)c(Cl)c1O.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"9574172"	NA
"646108"	646108	"2-[(E)-(2,4-Dimethoxy-3-methylphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)c(OC)c1C.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"9574176"	NA
"646109"	646109	"1-hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"COc1ccccc1\C=N\NC(=N)NO.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	"50990865"	NA
"646112"	646112	""	NA	0	NA	NA	2	2	"502894"	NA
"646113"	646113	"water extract from clivia miniata regel"	NA	0	NA	NA	1	1	"502895"	NA
"646122"	646122	"4Me2,6-diNO2Ph-SO2-Ph"	"Cc1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	2	2	"371684"	NA
"646125"	646125	"3NO2-2Pyrid-SO2-Ph"	"[O-][N+](=O)c1cccnc1S(=O)(=O)c2ccccc2"	0	""	""	2	1	"371687"	NA
"646127"	646127	"6h-pyrido[4,3-b]carbazole, 1,2-dihydro-2,5,9,11-tetra- m..."	"CN1Cc2c(C)c3c4cc(C)ccc4[nH]c3c(C)c2C=C1"	0	""	""	2	2	"371688"	NA
"646140"	646140	""	NA	0	NA	NA	1	1	"502917"	NA
"646145"	646145	""	"CC(N1O[C@]12CC[C@@]3(C)C(CCCC34OCCO4)C2)c5ccccc5"	0	NA	NA	1	1	"502922"	NA
"646151"	646151	"3-trityloxy-propanol"	"OCCCOC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"371701"	NA
"646159"	646159	"N-Hydroxy-N-methylbenzenecarbothioamide"	"CN(O)C(=S)c1ccccc1"	0	""	""	4	4	"371711"	NA
"646160"	646160	"ODICBYUPKZRFOG-UHFFFAOYSA-"	"ON(Cc1ccccc1)C(=S)c2ccccc2"	0	""	""	3	2	"371712"	NA
"646161"	646161	"propanethioamide, n-hydroxy-n-methyl-"	"CCC(=S)N(C)O"	0	""	""	5	3	"371713"	NA
"646162"	646162	"N-Hydroxy-N,2-dimethylpropanethioamide"	"CC(C)C(=S)N(C)O"	0	""	""	2	2	"371714"	NA
"646190"	646190	"Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C(C)[Se]c2ccccc2"	0	""	""	1	1	"371747"	NA
"646191"	646191	"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C(CC)[Se]c2ccccc2"	0	""	""	1	1	"371748"	NA
"646192"	646192	"Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C([Se]c2ccccc2)C(C)C"	0	""	""	1	1	"371749"	NA
"646193"	646193	"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile"	"CCOC(OC1=C(CCC1)C#N)C(CC)[Se]c2ccccc2"	0	""	""	1	1	"371750"	NA
"646195"	646195	"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate"	"CCOC(OC1=C(CCCC1)C(=O)OCC)C(CC)[Se]c2ccccc2"	0	""	""	1	1	"371752"	NA
"646198"	646198	"Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate"	"CCOC(=O)C1(CCCC1=O)[Se]c2ccccc2"	0	""	""	1	1	"371755"	NA
"646199"	646199	"((1-(Diethoxymethyl)propyl)seleno)benzene"	"CCOC(OCC)C(CC)[Se]c1ccccc1"	0	""	""	1	1	"371756"	NA
"646200"	646200	"1-[(1,1-Diethoxybutan-2-yl)selanyl]-2-nitrobenzene"	"CCOC(OCC)C(CC)[Se]c1ccccc1[N+](=O)[O-]"	0	""	""	3	2	"371757"	NA
"646220"	646220	"2-Bromo-1,1,1-triethoxybutane"	"CCOC(OCC)(OCC)C(Br)CC"	0	""	""	1	1	"371776"	NA
"646233"	646233	""	"[O-]\[N+](=C/c1ccccc1)\[C@H](COCc2ccccc2)c3ccccc3"	0	NA	NA	1	1	"503010"	NA
"646240"	646240	"4-Cumylphenol cyanate ester"	"CC(C)(c1ccccc1)c2ccc(OC#N)cc2"	0	""	""	2	1	"371796"	NA
"646243"	646243	"C-46391"	"CC(C)(c1ccccc1)c2ccc(Oc3ccc(C#N)c(c3)C#N)cc2"	0	""	""	2	1	"371798"	NA
"646244"	646244	"4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile"	"CC(C)(c1ccc(Oc2ccc(C#N)c(c2)C#N)cc1)c3ccc(Oc4ccc(C#N)c(c4)C#N)cc3"	0	""	""	2	1	"371799"	NA
"646248"	646248	"4-(2,4-Di-tert-butylphenoxy)phthalonitrile"	"CC(C)(C)c1ccc(Oc2ccc(C#N)c(c2)C#N)c(c1)C(C)(C)C"	0	""	""	2	1	"371803"	NA
"646249"	646249	"4-(3-Phenoxyphenoxy)phthalonitrile"	"N#Cc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C#N"	0	""	""	2	1	"371804"	NA
"646273"	646273	""	"O[C@@H]1C=CCC2C=CC=CC(=O)C12"	0	NA	NA	1	1	"503030"	NA
"646276"	646276	"kedarcidin"	"COc1c(OC(C)C)cc2cc(O)c(cc2c1OC)C(=O)NC3Cc4ccc(O[C@@H]5C=C6C#C\C(=C/C#CC7OC67C5OC8CC(C)(O)C(O)C(C)O8)\C(COC3=O)OC9CC(O)C(C(C)O9)N(C)C)c(Cl)n4"	0	NA	NA	3	2	"503032"	NA
"646277"	646277	"1,2,4-triazolo[4,3-a]pyrazin-5-amine, 8-chloro-6-nitro-"	"Nc1c(nc(Cl)c2nncn12)[N+](=O)[O-]"	0	""	""	2	1	"371811"	NA
"646278"	646278	"pyrido[3',4':4,5]thieno[2,3-g]isoquinoline, 6-methyl-"	"Cc1c2ccncc2cc3c4cnccc4sc13"	0	""	""	3	3	"371812"	NA
"646371"	646371	"7-Amino-3-methyl-2-quinoxalinol"	"Cc1nc2ccc(N)cc2nc1O"	0	""	""	1	1	"371851"	NA
"646374"	646374	"N-[3-[[2,4-Diethyl-3-[[3-(3-methylquinoxalin-2-yl)-2-oxopropanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-3-(3-methylquinoxalin-2-yl)-2-oxopropanamide"	"CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)Cc3nc4ccccc4nc3C)c2CC)c(CC)c1NC(=O)C(=O)Cc5nc6ccccc6nc5C"	0	""	""	1	1	"371854"	NA
"646379"	646379	"4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide"	"O=C(Nc1cccc(NC(=O)C2=CC(=O)c3ccccc3O2)n1)C4=CC(=O)c5ccccc5O4"	0	""	""	1	1	"371859"	NA
"646381"	646381	"2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one"	"Oc1ccc2C(=O)C=C(Oc2c1)C(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	2	"5465338"	NA
"646382"	646382	"(2Z)-N-(2-Cyanophenyl)-2-[(4-nitrophenyl)hydrazinylidene]-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide"	"[O-][N+](=O)c1ccc(N\N=C(\C2C(=O)NC(=O)NC2=O)/C(=O)Nc3ccccc3C#N)cc1"	0	""	""	1	1	"9555876"	NA
"646395"	646395	""	"C[N+](C)([O-])CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	"503097"	NA
"646428"	646428	""	"BrC\C=C\C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"581763"	NA
"646468"	646468	"2-N',2-N',6-N',6-N',11-pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine"	"CCN(CC)c1ccc2c(Oc3ccc(cc3C24Oc5ccccc5c6c4c7ccccc7n6CC)N(CC)CC)c1"	0	""	""	1	1	"371885"	NA
"646492"	646492	"8-methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole"	"COc1ccc2OCC3C(N(N=C3c4ccccc4)c5ccccc5)c2c1"	0	""	""	1	1	"371908"	NA
"646498"	646498	""	"[O-][N+](=O)c1cccc(\C=C\2/COc3ccccc3C2=O)c1"	0	NA	NA	2	2	"503140"	NA
"646500"	646500	""	"[O-][N+](=O)c1cccc(\C=C\2/COc3ccc(Br)cc3C2=O)c1"	0	NA	NA	1	1	"503142"	NA
"646501"	646501	""	"Clc1ccc(\C=C\2/COc3ccc(Br)cc3C2=O)cc1"	0	NA	NA	1	1	"503143"	NA
"646502"	646502	""	"Clc1ccccc1\C=C\2/COc3ccc(Br)cc3C2=O"	0	NA	NA	1	1	"503144"	NA
"646504"	646504	"1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline"	"Cc1ccc(cc1)C(=O)N2CCN(C(=O)c3ccc(C)cc3)c4ccccc24"	0	""	""	3	2	"371920"	NA
"646575"	646575	"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione"	"OCC1OC(CC1O)N2C(N=[N+]=[N-])C(Cl)C(=O)NC2=O"	0	""	""	1	1	"371924"	NA
"646603"	646603	""	NA	0	NA	NA	4	2	"503158"	NA
"646604"	646604	""	NA	0	NA	NA	3	3	"503159"	NA
"646605"	646605	""	NA	0	NA	NA	3	3	"503160"	NA
"646606"	646606	""	NA	0	NA	NA	3	2	"503161"	NA
"646607"	646607	""	NA	0	NA	NA	3	2	"503162"	NA
"646608"	646608	""	NA	0	NA	NA	3	1	"503163"	NA
"646609"	646609	""	NA	0	NA	NA	3	2	"503164"	NA
"646610"	646610	""	NA	0	NA	NA	3	2	"503165"	NA
"646611"	646611	""	NA	0	NA	NA	1	1	"503166"	NA
"646614"	646614	"6-o/n[4'-nitroacridone-9'(10h)-yl-7'-hydroxyl]-1'- amino..."	"C[C@H](NC(=O)C(C)OC1C(O)C(COC(=O)CCCCCNc2ccc(c3Nc4ccc(O)cc4C(=O)c23)[N+](=O)[O-])OC(OCc5ccccc5)C1NC(=O)C)C(=O)N[C@H](CCC(=O)OCc6ccccc6)C(=O)N"	0	NA	NA	2	1	"503168"	NA
"646616"	646616	"mdp-c857"	"C[C@H](NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)OCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	NA	NA	2	1	"503170"	NA
"646699"	646699	"Antineoplastic-646699"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O"	0	NA	NA	2	2	"503190"	NA
"646700"	646700	"bis(2-nitrophenyl)sulfilimine, hydrochloride, [1:1]"	"[O-][N+](=O)c1ccccc1S(=N)c2ccccc2[N+](=O)[O-]"	0	NA	NA	2	1	"503191"	NA
"646701"	646701	""	"CC1=[CH]2[Pt+2]1(P(c3ccccc3)(c4ccccc4)c5ccccc5)[C-]2(C)C"	0	NA	NA	1	1	"581768"	NA
"646702"	646702	"Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium"	"CC#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"24202391"	NA
"646703"	646703	"Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate"	"CC#C[I+]c1ccccc1"	0	""	""	1	1	"11111958"	NA
"646714"	646714	"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone"	"CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C"	0	""	""	4	4	"159854"	NA
"646782"	646782	"(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide"	"NC(=S)N\N=C(/C(=O)Nc1ccc(Cl)c(Cl)c1)\C2=NN(C(CC2=O)c3cccc(c3)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	"9571700"	NA
"646801"	646801	"(2Z)-2-(Tert-butylhydrazinylidene)-N-(4-chloro-2-methylphenyl)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide"	"Cc1cc(Cl)ccc1NC(=O)\C(=N/NC(C)(C)C)\C(C#N)c2nc(cs2)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"9571345"	NA
"646807"	646807	"2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide"	"CC1=C(NC(=O)C(=O)NNC(=O)c2ccncc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	"371992"	NA
"646812"	646812	"(2Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide"	"NC(=O)N\N=C(\Cc1nc2ccc(cc2nc1O)C(=O)c3ccccc3)/C(=O)Nc4ccc(cc4[N+](=O)[O-])C(F)(F)F"	0	""	""	1	1	"5935649"	NA
"646826"	646826	""	"N\N=C(/CC1OC(=O)c2ccccc12)\c3occc3"	0	NA	NA	1	1	"503251"	NA
"646828"	646828	"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone"	"OC(C(=O)C1=Nc2ccc(Cl)cc2NC1=O)c3occc3"	0	""	""	1	1	"372012"	NA
"646839"	646839	"EU-0067869"	"[O-][N+](=O)c1ccc2C(=O)NC(=O)c3cccc1c23"	0	""	""	1	1	"372023"	NA
"646845"	646845	"1-Benzyl-4-(phenylthio)azocane"	"C(N1CCCCC(CC1)Sc2ccccc2)c3ccccc3"	0	""	""	1	1	"372029"	NA
"646846"	646846	"bengamide b"	"CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)C(O)C(O)C(O)\C=C\C(C)C)C(=O)N(C)C1"	0	NA	NA	2	2	"503271"	NA
"646847"	646847	"bengamide g"	"CCCCCCCCCCCCCC(=O)OC(\C=C\C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCNC1=O"	0	""	""	3	2	"5467019"	NA
"646848"	646848	"bengamide h"	"CCCCCCCCCCCCCC(=O)OC(\C=C\C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O"	0	""	""	3	1	"5467020"	NA
"646858"	646858	""	"OCC(O)CNc1ccnc2cccc(c12)[N+](=O)[O-]"	0	NA	NA	2	1	"503280"	NA
"646859"	646859	""	"[O-][N+](=O)c1cccc2nccc(NCCN3CCOCC3)c12"	0	NA	NA	2	1	"503281"	NA
"646860"	646860	""	"CN(C)CCCNc1c(C)c(C)nc2c(C)ccc(c12)[N+](=O)[O-]"	0	NA	NA	2	1	"503282"	NA
"646863"	646863	"Pentamine-osmium(III)trifluoromethane sulfonate"	"[NH3+][Os+3]([NH3+])([NH3+])([NH3+])([NH3+])[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F"	0	""	""	1	1	"24202392"	NA
"646911"	646911	"8-(4-Nitro-benzyloxy)-quinoline"	"[O-][N+](=O)c1ccc(COc2cccc3cccnc23)cc1"	0	""	""	1	1	"372051"	NA
"646912"	646912	""	"C\C=C\C(=O)Oc1cccc2cccnc12"	0	NA	NA	2	2	"503288"	NA
"646913"	646913	"STK182880"	"O=C(Oc1cccc2cccnc12)\C=C\c3ccccc3"	0	""	""	2	2	"701842"	NA
"646923"	646923	"LMPK12050091"	"COc1ccc2C(=O)C(=COc2c1)c3cc(OC)c(OC)cc3OC"	0	""	""	3	2	"165203"	NA
"646924"	646924	"12a-Hydroxydalpanol"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(O)c2cc1OC)C(C)(C)O"	0	""	""	1	1	"134875"	NA
"646934"	646934	"Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate"	"CCOC(=O)C1=C(C)C2C3C(C(=O)NC3=O)C1(C)C4C2C(=O)NC4=O"	0	""	""	1	1	"372068"	NA
"646946"	646946	"rhodium dimer"	"[Cl-].[ClH-][Rh+3]12([ClH-])([n+]3ccc(c4ccccc4)c5ccc6c(cc[n+]1c6c35)c7ccccc7)[n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]2c%11c8%10)c%12ccccc%12"	0	NA	NA	5	2	"581777"	NA
"646962"	646962	"4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid"	"CN(C)C(=O)CC(C(=O)O)c1c[nH]c2ccccc12"	0	""	""	1	1	"372083"	NA
"646973"	646973	""	"CCC12CC(=C3Nc4ccccc4C35CCN(CC=C1)[C@H]25)C(=O)OC"	0	NA	NA	1	1	"503327"	NA
"646977"	646977	"[2-(cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide"	"C[N+](C)(C)Cc1c(CC#N)[nH]c2ccccc12"	0	""	""	1	1	"372102"	NA
"646981"	646981	"ZX-AP010086"	"FC(F)(F)C(=O)c1cc2c(onc2c3ccccc13)C(F)(F)F"	0	""	""	2	2	"372107"	NA
"647036"	647036	"S-(N-hydroxy N-methylcarbamoyl)-glutathione"	"CN(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O"	0	""	""	3	1	"372113"	NA
"647040"	647040	"aquatris(1,3-diphenylpropane-1,3-dionato)neodymium(iii)"	"[OH2+][Nd+3]123(O=C([CH-]C(=O1)c4ccccc4)c5ccccc5)(O=C([CH-]C(=O2)c6ccccc6)c7ccccc7)O=C([CH-]C(=O3)c8ccccc8)c9ccccc9"	0	""	""	1	1	"24202395"	NA
"647042"	647042	"aquahydroxobis(1,3-diphenylpropane-1,3-dionato)neodymium..."	"[OH2+][Nd+3]12([OH-])(O=C([CH-]C(=O1)c3ccccc3)c4ccccc4)O=C([CH-]C(=O2)c5ccccc5)c6ccccc6"	0	""	""	1	1	"24202397"	NA
"647044"	647044	"acetatobis(1,3-diphenylpropane-1,3-dionato)neodymium(iii)"	"CC1O[Nd+3]23(O1)(OC(C=C(O2)c4ccccc4)c5ccccc5)OC(C=C(O3)c6ccccc6)c7ccccc7"	0	""	""	1	1	"24202398"	NA
"647045"	647045	"acetatobis(1,3-diphenylpropane-1,3-dionato)samarium(iii)"	"CC1=[O][Sm+3]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O-]1"	0	""	""	1	1	"372117"	NA
"647048"	647048	"aquahydroxobis(1,3-diphenylpropane-1,3-dionato)lanthane(..."	"[OH2+][La+3]12([OH-])(O=C([CH-]C(=O1)c3ccccc3)c4ccccc4)O=C([CH-]C(=O2)c5ccccc5)c6ccccc6"	0	""	""	1	1	"24202399"	NA
"647050"	647050	"tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di- [neo..."	"C1CCCC2=[O][Nd+3]345([O]=C(CCCCCCC6=[O][Nd+3]78([O]=C(CCCCCCC(=[O]3)C=C(c9ccccc9)[O-]4)C=C(c%10ccccc%10)[O-]7)([O]=C(CC1)C=C(c%11ccccc%11)[O-]8)[O-]C(=C6)c%12ccccc%12)C=C(c%13ccccc%13)[O-]5)[O-]C(=C2)c%14ccccc%14"	0	""	""	1	1	"11979347"	NA
"647062"	647062	"tris(n,n-diethyldithiocarbonato)(s1,s2)gallium(iii)"	"CCN(CC)C1=S[Ga+3]23([SH-]C(=S2)N(CC)CC)([SH-]C(=S3)N(CC)CC)[SH-]1"	0	NA	NA	4	2	"503347"	NA
"647065"	647065	"Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate"	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\c3ccccc3)ccc12"	0	""	""	1	1	"6277557"	NA
"647066"	647066	"diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarb..."	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\c3ccccn3)ccc12"	0	""	""	1	1	"6277558"	NA
"647067"	647067	"diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-..."	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\C(=O)OC)ccc12"	0	""	""	1	1	"6277559"	NA
"647092"	647092	""	"OC1=C(\C(=N/Nc2cccc(Cl)c2)\C(=O)Nc3ccccc3[N+](=O)[O-])C(=O)Oc4ccccc14"	0	NA	NA	1	1	"503366"	NA
"647099"	647099	""	"CC(C)c1cccc(C(C)C)c1NC(=O)\C(=N/NC(=O)C[N+](C)(C)C)\Cc2nc3ccc(Cl)cc3nc2O"	0	NA	NA	1	1	"503373"	NA
"647110"	647110	""	"C[N+](C)(C)CC(=O)N\N=C(\Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O)/C(=O)Nc5ccc(Cl)c(Cl)c5"	0	NA	NA	1	1	"503381"	NA
"647117"	647117	""	"OC(\C(=N/Nc1ccccc1)\c2cnc3cc(ccc3n2)[N+](=O)[O-])c4ccc(cc4)C(O)\C(=N/Nc5ccccc5)\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	"503388"	NA
"647118"	647118	"5-(2,2-Dimethylhydrazinyl)-4-nitro-1-phenyl-1,6-dihydropyridazine"	"CN(C)NC1=C(C=NN(C1)c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	"372167"	NA
"647122"	647122	"N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\c2oc(c3ccccc3Cl)c(c4ccccc4Cl)c2[N+](=O)[O-]"	0	""	""	1	1	"9555882"	NA
"647131"	647131	"hydrazinecarbothioamide, n,n-dihexyl- 2-[1-(2-pyridyl)et..."	"CCCCCCN(CCCCCC)C(=S)N\N=C(/C)\c1ccccn1"	0	""	""	4	2	"5868935"	NA
"647132"	647132	""	"CCCCCCN(CCCCCC)C1=S[Cu+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	NA	NA	1	1	"503403"	NA
"647133"	647133	"Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"CN(C)C1=S[Cu+2]2([ClH-])([ClH-])[N+](=Cc3cccc(C)[n+]23)N1"	0	""	""	2	2	"9578889"	NA
"647246"	647246	"Antineoplastic-647246"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O"	0	NA	NA	4	4	"503432"	NA
"647247"	647247	"2'-(diethylaminomethyl)-(z)-combrestastatin a-4, hydroch..."	"CCN(CC)Cc1c(O)c(OC)ccc1\C=C/c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	5	2	"503433"	NA
"647248"	647248	"N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide"	"NC(=S)NNC(=O)\C(=C\c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NNC(=S)N)cc1)\NC(=O)c3ccccc3"	0	""	""	2	1	"6474143"	NA
"647253"	647253	"1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea"	"CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN"	0	""	""	1	1	"3004348"	NA
"647254"	647254	"N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide"	"CN(C)CC(\C(=N/NC(=O)c1ccncc1)\Cc2ccccc2)c3ccccc3"	0	""	""	1	1	"6081287"	NA
"647257"	647257	"N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline"	"[O-][N+](=O)c1c(oc(c2ccc3OCOc3c2)c1c4ccc5OCOc5c4)\C=N\Nc6ccccc6"	0	""	""	1	1	"9555889"	NA
"647260"	647260	"2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]prop-2-enyl-trimethylazanium;chloride"	"COc1ccc(cc1OC)c2oc(\C=N\NC(=C)C[N+](C)(C)C)c(c2c3ccc(OC)c(OC)c3)[N+](=O)[O-]"	0	""	""	1	1	"9555890"	NA
"647262"	647262	"[2-[(2E)-2-[[4,5-Bis(2-hydroxynaphthalen-1-yl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"C[N+](C)(C)CC(=O)N\N=C\c1oc(c2c(O)ccc3ccccc23)c(c4c(O)ccc5ccccc45)c1[N+](=O)[O-]"	0	""	""	1	1	"135483933"	NA
"647276"	647276	""	"OC(\C(=N\NC(=O)Cc1ccccc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])c4ccc(cc4)C(O)\C(=N/NC(=O)Cc5ccccc5)\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	"503462"	NA
"647313"	647313	""	"CCCCN1\C(=N\NC(=O)Cn2c(C)nc3ccccc23)\SC=C1c4ccccc4"	0	NA	NA	1	1	"503465"	NA
"647316"	647316	"5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one"	"Fc1cccc2NC(=CC(=O)c12)c3ccccn3"	0	""	""	1	1	"372260"	NA
"647317"	647317	"6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one"	"COc1ccc2NC(=CC(=O)c2c1)c3ccccn3"	0	""	""	1	1	"372261"	NA
"647320"	647320	"4-(6-Methoxyquinolin-2-yl)phenol"	"COc1ccc2nc(ccc2c1)c3ccc(O)cc3"	0	""	""	1	1	"372264"	NA
"647321"	647321	"KUC100258"	"COc1ccc(cc1)C2=CC(=O)c3cc(OC)ccc3N2"	0	""	""	1	1	"372265"	NA
"647322"	647322	"Neuro_000352"	"COc1ccc2NC(=CC(=O)c2c1)c3ccc(O)cc3"	0	""	""	4	3	"372266"	NA
"647325"	647325	"6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4ccccc4"	0	""	""	4	2	"372269"	NA
"647328"	647328	"5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione"	"COc1cc(OC)c2C(=O)C=C(CC3(C)OCCCO3)C(=O)c2c1"	0	""	""	2	1	"372272"	NA
"647329"	647329	"6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione"	"COc1cc(OC)c2C(=O)C(=O)C(=Cc2c1)CC3(C)OCCCO3"	0	""	""	2	2	"372273"	NA
"647338"	647338	"5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde"	"COc1ccc(cc1)C2CCC(Cl)(CC2C=O)OC"	0	""	""	1	1	"372280"	NA
"647350"	647350	"(10E)-10-Bromotricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one"	"Br\C\1=C\c2ccccc2c3ccccc3C(=O)C1"	0	""	""	2	2	"5467079"	NA
"647361"	647361	"ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate"	"CCOC(=O)\C(=C\c1cc(OC)c(OC)c(OC)c1)\I"	0	""	""	1	1	"5467081"	NA
"647363"	647363	"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate"	"COc1cc(\C=C(/OC(=O)C)\c2ccc3OCOc3c2)cc(OC)c1OC"	0	""	""	2	1	"5351401"	NA
"647394"	647394	"5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole"	"Cc1ccc2SC(Sc2c1)c3cc4OCOc4cc3Br"	0	""	""	2	1	"372336"	NA
"647395"	647395	"Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(OC(=O)C)C1c3ccccc3c4ccccc24"	0	""	""	2	2	"372337"	NA
"647399"	647399	"Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C2(OC)C1c3ccccc3c4ccccc24"	0	""	""	1	1	"372341"	NA
"647409"	647409	""	"O\N=C(/CCN1CCCC1)\CC(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	"503559"	NA
"647421"	647421	""	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NC(=N)N)\C"	0	NA	NA	2	1	"503571"	NA
"647424"	647424	""	"OC1=C(C(C\C(=N/NC(=O)c2ccncc2)\CCN3CCCC3)c4ccccc4)C(=O)Oc5ccccc15"	0	NA	NA	1	1	"503574"	NA
"647425"	647425	""	"C\C(=N/NC(=O)N)\C(CN1CCCCC1)C(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	"503575"	NA
"647427"	647427	""	"CN\N=C(\CCN1CCCC1)/CC(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	"503577"	NA
"647428"	647428	"N-[(E)-[3-[(Dimethylamino)methyl]-4-(4-hydroxy-2-oxochromen-3-yl)-4-phenylbutan-2-ylidene]amino]-4-methylbenzenesulfonamide;hydrochloride"	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NS(=O)(=O)c4ccc(C)cc4)\C"	0	""	""	2	1	"54681746"	NA
"647463"	647463	"6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one"	"Clc1cc(Cl)c(N2N=C3N=C(C=C3NC2=O)c4ccccc4)c(Cl)c1"	0	""	""	1	1	"135408947"	NA
"647471"	647471	"9-morpholinylmethyl-s6-acetyloxymethyl-6-mercaptopurine"	"CC(=O)OCSc1ncnc2c1ncn2CN3CCOCC3"	0	""	""	1	1	"372422"	NA
"647526"	647526	"n-(2-[{6[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxo..."	"COc1cc(cc(OC)c1OC)C(C)c2cc3OCOc3cc2OCCNC(=O)COc4cc5OCOc5cc4C(C)c6cc(OC)c(OC)c(OC)c6"	0	""	""	1	1	"372424"	NA
"647543"	647543	"3,4,5,6-Tetrachloro-16,16-dimethoxypentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraene-1-carboxylic acid"	"COC1(OC)C2(Cl)C3C4CC(C3C1(Cl)C(=C2Cl)Cl)(C(=O)O)c5ccccc45"	0	""	""	1	1	"372429"	NA
"647546"	647546	"Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate"	"COC(=O)C1=CC2CC1C(C2S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"372432"	NA
"647548"	647548	"1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OCC23CCC(CC2)C4CC34"	0	""	""	1	1	"372434"	NA
"647574"	647574	""	"OC(\C(=N/Nc1ccccc1)\C2=Nc3ccc(cc3NC2=O)[N+](=O)[O-])c4ccccc4Cl"	0	NA	NA	1	1	"503629"	NA
"647577"	647577	""	"C\C(=N/N)\C(CN1CCOCC1)C(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	"503632"	NA
"647579"	647579	""	"OC1=C(C(C\C(=N\NC(=O)CC#N)\CCN2CCCC2)c3ccccc3)C(=O)Oc4ccccc14"	0	NA	NA	2	1	"503634"	NA
"647582"	647582	"2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone"	"Cc1ccc(cc1)C(O)\C(=N\N)\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	"135499264"	NA
"647589"	647589	"3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one"	"CN\N=C(/C)\C(CN(C)C)C(C1=C(O)c2ccccc2OC1=O)c3ccccc3"	0	""	""	1	1	"54712266"	NA
"647599"	647599	""	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NC(=O)N)\C"	0	NA	NA	1	1	"503654"	NA
"647614"	647614	""	"C[N+](C)(C)CC(=O)N\N=C(\CC1OC(=O)c2ccccc12)/c3ccccc3O"	0	NA	NA	1	1	"503669"	NA
"647620"	647620	"trans-dichloro-cis-dichlorobis(1-ethylimidazole)- platin..."	"CCn1cc[n+](c1)[Pt+4]([ClH-])([ClH-])([ClH-])([ClH-])[n+]2ccn(CC)c2"	0	""	""	1	1	"499016"	NA
"647621"	647621	"Ethyl 4-(2-ethoxy-2-oxoethyl)imino-2-methylsulfanyl-6-phenylsulfanylimidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate"	"CCOC(=O)C\N=C\1/N=C(SC)Sc2c(nc(Sc3ccccc3)n12)C(=O)OCC"	0	""	""	1	1	"372505"	NA
"647638"	647638	"xestin a"	"COC(=O)CC1OOC(CCCCCCCCCCCCC\C=C\C=C\C)(OC)C=C1"	0	NA	NA	2	1	"503682"	NA
"647640"	647640	"mycothiazole"	"COC(=O)NCCC(=C)\C=C\CC(O)C(C)(C)c1nc(C\C=C\CC=C)cs1"	0	""	""	3	2	"5926799"	NA
"647641"	647641	"kalihinol y"	"C[C@@]1(O)CC[C@H]2C([C@H](CCC2=C)[C@@]3(C)CC[C@H](Cl)C(C)(C)O3)[C@H]1[N+]#[C-]"	0	""	""	1	1	"6711942"	NA
"647710"	647710	"pyrrolo[1,2-a]pyrimidine, 2,4,7-trimethyl-6-phenyl"	"Cc1cc(C)n2c(c(C)cc2n1)c3ccccc3"	0	""	""	1	1	"372531"	NA
"647714"	647714	"furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hyd..."	"Cc1c(\C=N\NS(=O)(=O)c2ccccc2)no[n+]1[O-]"	0	""	""	1	1	"9555896"	NA
"647720"	647720	"Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate"	"CCOC(=O)N1Cc2occc2C1"	0	""	""	1	1	"372542"	NA
"647751"	647751	"CCRIS 7542"	"CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	2	"154500"	NA
"647752"	647752	"Antineoplastic-D647752"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)c6ccc(Cl)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"6711944"	NA
"647753"	647753	"Antineoplastic-D647753"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(Cl)cc7)C(=C1C5(C)C)C"	0	""	""	2	2	"6711945"	NA
"647758"	647758	"nonanamide, n-(2-aminoethyl)- n-[2-[(1-oxononyl)amino]et..."	"CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC"	0	""	""	4	2	"372547"	NA
"647763"	647763	"Jasplakinolide epoxide C"	"CC1CC(C)C2OC2(C)C[C@H](C)C(=O)NC(C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N[C@H](CC(=O)O1)c5ccc(O)cc5"	0	""	""	2	2	"372550"	NA
"647884"	647884	"benzamide, 2-amino-n-[[4-[(5-bromopyrimidin-2-yl)oxy]3-m..."	"Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc3ncc(Br)cn3"	0	""	""	6	3	"372559"	NA
"647889"	647889	"n-(17.beta.-dimethylamino-3.beta.-androstanyl)-n'-[2-phe..."	"CN(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)NC(Cc5ccccc5)c6nccs6"	0	NA	NA	4	1	"503737"	NA
"647928"	647928	"HGQCWSSCAYOKJM-UHFFFAOYSA-N"	"[O-][N+](=O)c1cc(c(cc1C#N)N(CCCl)CCCl)[N+](=O)[O-]"	0	""	""	1	1	"372566"	NA
"647939"	647939	"N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine"	"COc1ccc(CCNCCCC2c3ccccc3c4ccccc24)cc1OC"	0	""	""	3	1	"372579"	NA
"647940"	647940	"4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione"	"O=C1CCCC2=C(N1)C(=O)C=CC2=O"	0	""	""	4	2	"372580"	NA
"647941"	647941	"4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione"	"Cc1cnc2C(=O)C3=C(C(O)CC(C)(C)O3)C(=O)c2c1"	0	""	""	1	1	"372581"	NA
"647959"	647959	"N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide"	"O=S(=O)(N(CCC#N)c1ccc(\C=N\c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	"372598"	NA
"647965"	647965	"N-(2-Methoxyphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide"	"COc1ccccc1NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4[N+](=O)[O-])c2c5ccccc5"	0	""	""	1	1	"372604"	NA
"647967"	647967	"N-(4-Chlorophenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide"	"[O-][N+](=O)c1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"372606"	NA
"647968"	647968	"[4-[(E)-(4-nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone"	"[O-][N+](=O)c1ccc(cc1)N=Nc2c(nn(C(=O)c3ccncc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"372607"	NA
"648059"	648059	"3h-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid, 9-amin..."	"Nc1ccc2N3C=C(C(=O)O)C(=O)c4cc(F)c(F)c(Oc2c1)c34"	0	""	""	1	1	"372621"	NA
"648060"	648060	"viridenomycin"	"COC1[C@@H](O)[C@]2(C)\C=C\C=C\C=C/C=C\C(=O)NC(C\C=C/C=C/C=C/C=C(\C)/OC(=O)C2=C1O)c3ccccc3"	0	""	""	2	1	"54686230"	NA
"648071"	648071	"2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate"	"CCN(CC)c1ccc(N=Nc2ccc(cc2OC(=O)\C=C\c3ccccc3)[N+](=O)[O-])c(OC(=O)\C=C\c4ccccc4)c1"	0	""	""	2	2	"5812861"	NA
"648072"	648072	"9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one"	"O=C1N(Cc2nc3ccccc3c(c4ccccc4)c12)Nc5ccccn5"	0	""	""	4	3	"372627"	NA
"648083"	648083	"Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate"	"COC(=O)CC(c1ccccc1)C2(SCCS2)c3ccccc3"	0	""	""	1	1	"372634"	NA
"648094"	648094	"4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone"	"CC1(SCCCS1)C2COC(=O)C2"	0	""	""	1	1	"372640"	NA
"648096"	648096	"Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate"	"COC(=O)C(CC(=O)c1cc2OCOc2cc1I)Cc3cc(OC)c(OC)c(OC)c3I"	0	""	""	1	1	"372642"	NA
"648098"	648098	"4-Chloro-3,5-dimethyl-1-propoxy-1,2-dihydrophosphinine 1-oxide"	"CCCOP1(=O)CC(=C(Cl)C(=C1)C)C"	0	""	""	1	1	"372644"	NA
"648099"	648099	"4-(Dichloromethylidene)-3,5-dimethyl-1-(propan-2-yloxy)-1,4-dihydrophosphinine 1-oxide"	"CC(C)OP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	1	1	"372645"	NA
"648100"	648100	"1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide"	"CCCCOP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	2	1	"372646"	NA
"648114"	648114	"Antineoplastic-D648114"	"CN(C)[C@@H]1CC[C@@H](CC1)N2N=C3C(=CN(C4CC4)c5c(F)c(c(F)cc35)c6cc(C)nc(C)c6)C2=O"	0	""	""	3	2	"372647"	NA
"648147"	648147	"6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1cc2C(=O)C=CC(=O)c2c3c1c4ccccc4n3C"	0	""	""	3	3	"372650"	NA
"648148"	648148	"5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1cc2c3ccccc3n(C)c2c4C(=O)C=CC(=O)c14"	0	""	""	3	2	"372651"	NA
"648150"	648150	"11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3cc(c4ccccc4)c5C(=O)C=CC(=O)c5c13"	0	""	""	3	3	"372653"	NA
"648151"	648151	"6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"Cc1cc2c3ccccc3n(C)c2c4C(=O)c5ccccc5C(=O)c14"	0	""	""	1	1	"372654"	NA
"648152"	648152	"12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"Cn1c2ccccc2c3cc(c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c13"	0	""	""	1	1	"372655"	NA
"648154"	648154	""	"CC(C)(C)C1CC[C@@H]2[C@H](C1)[C@H]3[C@H](C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccc(Br)cc6c25"	0	NA	NA	1	1	"503839"	NA
"648204"	648204	"1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"C1SC(c2ccccc2)n3c1nc4ccccc34"	0	""	""	1	1	"372671"	NA
"648206"	648206	"Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-"	"COc1cc(C=O)c(c(OC)c1OC)c2cc3OCOc3cc2C4(C)OCCS4"	0	""	""	2	2	"372673"	NA
"648207"	648207	"Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylidene]propanedioate"	"COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1c2cc3OCOc3cc2C4(C)OCCS4)C(=O)OC"	0	""	""	1	1	"372674"	NA
"648211"	648211	"9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole"	"Cn1c2CCCC(c3cc4ccccc4n3C)c2c5ccccc15"	0	""	""	1	1	"372678"	NA
"648213"	648213	"1,2-Di(1H-indol-2-yl)-1,2-ethanedione"	"O=C(C(=O)c1cc2ccccc2[nH]1)c3cc4ccccc4[nH]3"	0	""	""	2	2	"372680"	NA
"648225"	648225	""	"CCC12CCCN(Cc3ccccc3)C1c4c([C@@H](C2)C(=O)OC)n(C)c5ccccc45"	0	NA	NA	1	1	"503872"	NA
"648263"	648263	"3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione"	"CC1=CSC(=S)N1OC(=O)NC2CCCCC2"	0	""	""	2	1	"372703"	NA
"648265"	648265	"[3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin"	"C\C=C\C[C@@H](C)C(=O)C1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C"	0	""	""	2	1	"5467197"	NA
"648270"	648270	""	"CN(C)CCCNc1ccnc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	"503885"	NA
"648273"	648273	""	"CN(C)CCCNc1c(C)c(C)nc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	"503888"	NA
"648303"	648303	"4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O"	0	""	""	1	1	"372720"	NA
"648304"	648304	"3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"BrC1(Br)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"372721"	NA
"648305"	648305	"3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"BrC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"372722"	NA
"648316"	648316	""	"Cc1ccc2N=C(N)NC(=O)c2c1Sc3ccncc3"	0	NA	NA	2	2	"503902"	NA
"648322"	648322	"Incarnal"	"CC1(C)C[C@@]2(O)C(=CC3=CC(=O)C(=C)C23C)C1=O"	0	NA	NA	3	3	"503906"	NA
"648331"	648331	"germacatechol"	"CO.C[OH+][Ge+4]12([OH+]C)([O-]c3ccccc3[O-]1)[O-]c4ccccc4[O-]2"	0	NA	NA	1	1	"581807"	NA
"648341"	648341	"saprothoquinone"	"CC(C)C1=Cc2ccc(C)c(CCC=C(C)C)c2C(=O)C1=O"	0	""	""	1	1	"372741"	NA
"648360"	648360	"benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl) thioxome..."	"CC(C)C(OC(=O)c1cc(NC(=S)c2sccc2C)ccc1Cl)C(C)C"	0	""	""	1	1	"3000898"	NA
"648365"	648365	"insulin-methotrexate conjugate"	NA	0	NA	NA	2	2	"503925"	NA
"648374"	648374	""	"CC1(C)CC(=C(C#N)C(=O)O1)\C=C/2\OC(=O)c3ccccc23"	0	NA	NA	1	1	"503933"	NA
"648386"	648386	"reveromycin a"	"CCCCC1(CCC2(CCC(C)C(C\C=C(/C)\C=C\C(O)C(C)\C=C\C(=O)O)O2)OC1CC\C(=C\C(=O)O)\C)OC(=O)CCC(=O)O"	0	NA	NA	2	1	"503940"	NA
"648405"	648405	"12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine"	"Cc1ccc(cc1)S(=O)(=O)c2c(N)c3nc4ccccc4n3c5nc6ccccc6nc25"	0	""	""	1	1	"372781"	NA
"648407"	648407	"1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde"	"O=CC1=CCCN(CCc2c[nH]c3ccccc23)C1"	0	""	""	1	1	"372783"	NA
"648419"	648419	"NCIMech_000673"	"COc1cc(CC(=O)c2cc3OCOc3cc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	"372796"	NA
"648421"	648421	"5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole"	"Brc1ccc(cc1)c2cc3OCOc3cc2C4SCCS4"	0	""	""	1	1	"372798"	NA
"648422"	648422	"5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole"	"COc1cc(\C=C(/C)\c2ccc3OCOc3c2)cc(OC)c1OC"	0	""	""	1	1	"5351406"	NA
"648424"	648424	"1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole"	"COc1cc2cc(OC)c3cc4OCOc4cc3c2c(OC)c1OC"	0	""	""	2	1	"372801"	NA
"648489"	648489	"(5S)-5-[4-(dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3C(COC3=O)[C@H](N(C)c4ccc(cc4)N(C)C)c5cc6OCOc6cc25"	0	""	""	3	2	"372828"	NA
"648490"	648490	"(5S,5aS)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](N(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	"372830"	NA
"648535"	648535	"Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-1-(p-tolyl)-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2=C(C1c3ccccc3)C(=O)N(C2c4ccccc4)c5ccccc5)c6ccc(C)cc6"	0	""	""	1	1	"372843"	NA
"648543"	648543	"n-(3,4,5-trimethoxybenzyl)-4-methoxyaniline hydrochloride"	"COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	5	2	"504022"	NA
"648552"	648552	"1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline"	"CC(=CC1CCc2ccccc2N1S(=O)(=O)c3ccc(C)cc3)C"	0	""	""	2	2	"372862"	NA
"648553"	648553	"1-Tosyl-2,3-diphenyl-1H-indole"	"Cc1ccc(cc1)S(=O)(=O)n2c(c3ccccc3)c(c4ccccc4)c5ccccc25"	0	""	""	1	1	"372863"	NA
"648556"	648556	""	"Cc1ccc(cc1)S(=O)(=O)N2[C@@H]3C=CCC[C@@H]3c4ccccc24"	0	NA	NA	5	2	"504033"	NA
"648557"	648557	"3-(1-Hexenyl)-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline"	"CCCC\C=C\C1Cc2ccccc2CN1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"5467212"	NA
"648558"	648558	"Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-"	"Cc1ccc(cc1)S(=O)(=O)N2c3ccccc3C(=C)C24CCCCC4"	0	""	""	1	1	"372868"	NA
"648581"	648581	"Neuro_000355"	"COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1O"	0	""	""	4	3	"372869"	NA
"648587"	648587	"N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2,4-dinitroaniline"	"C\C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"9571359"	NA
"648605"	648605	"Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)C)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	""	""	1	1	"372893"	NA
"648613"	648613	"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	""	""	1	1	"372901"	NA
"648618"	648618	"Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-"	"FC(F)(F)c1cc(Cl)ccc1NC(=O)C(=O)NN2C(=Nc3ccccc3C2=O)S"	0	""	""	1	1	"3003533"	NA
"648633"	648633	"N-(2,5-Dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide"	"Cc1ccc(C)c(NC(=O)C(=O)C(c2cnc3ccc(cc3n2)[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	"372921"	NA
"648648"	648648	"methyl-4-(2-chloro-5-(trifluoromethyl)phenyl amino)-2-((..."	"COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc3cc(ccc3Cl)C(F)(F)F"	0	""	""	1	1	"372936"	NA
"648653"	648653	"N-[(E)-[3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-(4-chloro-2-methylanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide"	"Cc1cc(Cl)ccc1NC(=O)\C(=N\NC(=O)c2ccncc2)\Cc3nc4ccc(cc4nc3O)C(=O)c5ccccc5"	0	""	""	1	1	"5900390"	NA
"648655"	648655	"Methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazinylidene)butanoate"	"COC(=O)C(\C(=N\NC(=O)c1ccncc1)\C(=O)Nc2ccccc2OC)c3nc4ccc(Cl)cc4nc3O"	0	""	""	1	1	"5900391"	NA
"648656"	648656	"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate"	"COC(=O)C(\C(=N\N)\C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c2nc3ccc(Cl)cc3nc2O"	0	""	""	1	1	"9571367"	NA
"648660"	648660	"(2Z)-N-(2,5-dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide"	"Cc1ccc(C)c(NC(=O)\C(=N/N)\C(c2cnc3ccc(cc3n2)[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	"5900400"	NA
"648770"	648770	"Antineoplastic-648770"	"COc1cc2CCC(NC(=O)c3ccc(Cl)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	"372982"	NA
"648771"	648771	"Antineoplastic-648771"	"COc1cc(cc(OC)c1OC)C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24"	0	""	""	2	2	"372983"	NA
"648773"	648773	"Antineoplastic-648773"	"COc1cc2CCC(NC(=O)c3ccc(cc3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372985"	NA
"648774"	648774	"(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3ccc(F)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372986"	NA
"648775"	648775	"(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1ccc(OC(=O)CC2Cc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24)cc1"	0	""	""	2	2	"372987"	NA
"648776"	648776	"Antineoplastic-648776"	"COc1cc2CC(CC(=O)Oc3ccccc3F)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	"372988"	NA
"648778"	648778	"Antineoplastic-648778"	"COc1cc2CC(CC(=O)Oc3ccc(cc3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372990"	NA
"648779"	648779	"(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3cccc(c3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372991"	NA
"648780"	648780	"Antineoplastic-648780"	"COc1cc2CC(=C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	2	2	"372992"	NA
"648781"	648781	"(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372993"	NA
"648784"	648784	"Antineoplastic-648784"	"COc1cc2CCC(NCc3ccc(cc3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"372996"	NA
"648785"	648785	"Antineoplastic-648785"	"COc1cc2CCC(NCc3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	"372997"	NA
"648791"	648791	"N-(4,8-dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	"COC1=CC=C2C(=C(Cl)C1=O)C(CCc3c(Cl)c(OC)c(OC)c(OC)c23)NC(=O)C"	0	""	""	2	2	"373003"	NA
"648864"	648864	"1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-"	"CC1(C)CNCC(C)(OCc2ccccc2)C(=O)NC(C)(C)CNCC(C)(OCc3ccccc3)C(=O)N1"	0	""	""	1	1	"373031"	NA
"648910"	648910	"Hydramycin"	"Cc1cc2C(=O)c3cccc(O)c3C(=O)c2c4OC(=CC(=O)c14)C(O)(CO)C5CO5"	0	""	""	4	2	"373075"	NA
"649000"	649000	"1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide"	"CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2"	0	""	""	1	1	"373080"	NA
"649001"	649001	"2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide"	"CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2"	0	""	""	1	1	"373082"	NA
"649005"	649005	""	"CCOC(=O)C1=C(C)N(Cc2ccccc2)\C(=N\Nc3nc4ccccc4cc3C5OCCO5)\S1"	0	NA	NA	1	1	"504255"	NA
"649007"	649007	"Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate"	"CCOC1(COP(=O)(OCc2ccccc2)OCc3ccccc3)COC(COP(=O)(OCc4ccccc4)OCc5ccccc5)(CO1)OCC"	0	""	""	1	1	"373087"	NA
"649010"	649010	"[(E)-[1-(2-chloroethyl)indol-3-yl]methyleneamino]thiourea"	"NC(=S)N\N=C\c1cn(CCCl)c2ccccc12"	0	""	""	1	1	"9554732"	NA
"649044"	649044	"2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one"	"COC1=CC=C(C)C=C(O)C1=O"	0	""	""	1	1	"373102"	NA
"649075"	649075	"3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione"	"CCOC1C(Br)CN2N(C1C)C(=O)c3cc4ccccc4cc3C2=O"	0	""	""	1	1	"373133"	NA
"649082"	649082	"2',3',4'-Trimethoxy-5-hydroxyflavone"	"COc1ccc(C2=CC(=O)c3c(O)cccc3O2)c(OC)c1OC"	0	""	""	1	1	"373139"	NA
"649084"	649084	"4H-1-benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-"	"COc1ccc(C2=CC(=O)c3cc(O)ccc3O2)c(OC)c1OC"	0	""	""	1	1	"373141"	NA
"649087"	649087	"7,2',3',4'-Tetramethoxyflavone"	"COc1ccc2C(=O)C=C(Oc2c1)c3ccc(OC)c(OC)c3OC"	0	""	""	2	1	"373144"	NA
"649091"	649091	"2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride"	"CCN(CC)Cc1cc(Nc2c3ccccc3nc4c5ccccc5n(C)c24)ccc1O"	0	""	""	2	1	"373149"	NA
"649095"	649095	"6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one"	"CN1C(=Cc2snc(C)c2C1=O)Cl"	0	""	""	1	1	"373154"	NA
"649100"	649100	"N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide"	"CC(C)(C)C(=CS(=O)\N=C\c1ccccc1)C(C)(C)C"	0	""	""	1	1	"9571369"	NA
"649107"	649107	"6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one"	"COc1ccc2C3=C(N(Cc4ccccc4)C(=O)c2c1)c5cc(OC)c(OC)cc5C3C"	0	""	""	2	2	"373164"	NA
"649118"	649118	"6-(3-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"373169"	NA
"649119"	649119	"6-(2-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	1	1	"373170"	NA
"649121"	649121	"6-[4-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"CN(C)c1ccc(cc1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	1	1	"373172"	NA
"649122"	649122	"6-[3-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"CN(C)c1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"373173"	NA
"649126"	649126	"6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccs4"	0	""	""	2	2	"373177"	NA
"649127"	649127	"6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4c[nH]c5ccccc45"	0	""	""	1	1	"373178"	NA
"649128"	649128	"OR309299"	"Cc1cccc2C(=O)C=C(Nc12)c3ccccc3"	0	""	""	1	1	"373179"	NA
"649129"	649129	"ACM439147123"	"Clc1cccc2C(=O)C=C(Nc12)c3ccccc3"	0	""	""	1	1	"373180"	NA
"649147"	649147	"Methyl 18-(benzenesulfonyl)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate"	"COC(=O)C1C=CCON2CCc3c(C12)n(c4ccccc34)S(=O)(=O)c5ccccc5"	0	""	""	3	1	"373183"	NA
"649148"	649148	"N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine"	"COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC"	0	""	""	2	1	"373184"	NA
"649150"	649150	"Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	"373186"	NA
"649153"	649153	"4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one"	"OCCNCCNc1ccc(O)c2C(=N)c3ccccc3C(=O)c12"	0	""	""	2	2	"438629"	NA
"649156"	649156	"1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethanone"	"CC(=O)n1ccc2c(Cl)ncnc12"	0	""	""	2	1	"373190"	NA
"649157"	649157	""	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2CCc3ccccc23"	0	NA	NA	2	1	"504360"	NA
"649167"	649167	"5-Nitro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol"	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)[N+](=O)[O-])cc1"	0	""	""	1	1	"4316336"	NA
"649175"	649175	"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=N/NC(=S)N)\c3ccc(cc23)[N+](=O)[O-]"	0	""	""	1	1	"4402219"	NA
"649177"	649177	"[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=N/NC(=S)N)\c3cc(Br)ccc23"	0	""	""	1	1	"3808513"	NA
"649178"	649178	"5-Bromo-6-nitroisatin"	"[O-][N+](=O)c1cc2NC(=O)C(=O)c2cc1Br"	0	""	""	1	1	"373211"	NA
"649240"	649240	"Tert-butyl N-[1-[4-[[4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate"	"CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(n2)c3c4ccccc4cn3C)cc1"	0	""	""	3	3	"373233"	NA
"649244"	649244	""	"Cn1cc2ccccc2c1c3nc(F)nc(Oc4ccc5C6CC[C@]7(C)[C@@H](O)CCC7[C@@H]6CCc5c4)n3"	0	NA	NA	2	1	"504414"	NA
"649246"	649246	""	"Cn1cc2ccccc2c1c3nc(F)nc(OCC(=O)[C@H]4CCC5[C@@H]6CCC7=CC(=O)CC[C@]7(C)C6[C@@H](O)C[C@]45C)n3"	0	NA	NA	2	2	"504416"	NA
"649270"	649270	"benzo[d]naphtho[1,2-b]pyran-6-one, 1-hydroxy-10-methyl-7..."	"CC1CCCC2=C1c3ccc4c(O)cccc4c3OC2=O"	0	""	""	1	1	"373241"	NA
"649287"	649287	"1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one"	"COc1cccc2OC(C)(C)C3CCC(=O)C=C3c12"	0	""	""	1	1	"373246"	NA
"649306"	649306	"Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate"	"CCOC1[C@H]2CC=C[C@H]2C3=C4C5=C1[Fe+]345(C#O)(C#O)P(c6ccccc6)(c7ccccc7)c8ccccc8.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	""	""	1	1	"499036"	NA
"649307"	649307	"Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron"	"CCOC1[C@H]2C3=C4C5=C(C(=O)[C@@]2(C)C[CH-]1[Fe+2]6789(C#O)(C#O)C%10=C6[CH-]7C8=C9%10)[Fe]345(C#O)(C#O)C#O"	0	""	""	1	1	"499038"	NA
"649310"	649310	""	"O=C1[C@H]2CCC(C3OCCO3)[C@H]2C4=C5C6=C1[Fe]456(C#O)(C#O)C#O"	0	NA	NA	3	2	"581820"	NA
"649311"	649311	"tropolone, 4-chloro-6,7-dimethoxy-"	"COC1=C(OC)C(=O)C(=CC(=C1)Cl)O"	0	""	""	2	1	"373247"	NA
"649312"	649312	"3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone"	"CSc1cnc2ccccc2c1SC3=CNc4ccccc4C3=O"	0	""	""	2	1	"373248"	NA
"649313"	649313	"1-methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1h)- qu..."	"CSc1cnc2ccccc2c1SC3=CN(C)c4ccccc4C3=O"	0	""	""	1	1	"373249"	NA
"649318"	649318	""	"CN\C=C(/C(=O)c1ccc(OC)c(OC)c1)\c2ccc(OC)cc2"	0	NA	NA	1	1	"504431"	NA
"649351"	649351	"N-butyl-8-[4-(butylsulfamoyl)phenyl]-5,5-dioxo-dibenzothiophene-3-sulfonamide"	"CCCCNS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c4ccc(cc4S3(=O)=O)S(=O)(=O)NCCCC"	0	""	""	1	1	"373257"	NA
"649417"	649417	"Methyl 3-oxo-3-((phenylthio)oxy)propanoate"	"COC(=O)CC(=O)OSc1ccccc1"	0	""	""	1	1	"373265"	NA
"649431"	649431	"2-Diazonio-1-[2-(5-oxohex-1-yn-1-yl)phenyl]prop-1-en-1-olate"	"CC(=O)CCC#Cc1ccccc1C(=O)C(=[N+]=[N-])C"	0	""	""	1	1	"373279"	NA
"649433"	649433	"2-Diazonio-1-[2-(4-phenylbut-1-yn-1-yl)phenyl]ethenolate"	"[N-]=[N+]=CC(=O)c1ccccc1C#CCCc2ccccc2"	0	""	""	1	1	"373282"	NA
"649437"	649437	"Methyl 2-(1,7-octadiynyl)benzoate"	"COC(=O)c1ccccc1C#CCCCCC#C"	0	""	""	1	1	"373288"	NA
"649438"	649438	"3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one"	"CCOC1(Cc2ccccc2CC=C)OC(=O)c3ccccc13"	0	""	""	1	1	"373289"	NA
"649456"	649456	"Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate"	"COC(=O)CC(=O)C(CCOCC=C)CC=C"	0	""	""	1	1	"373310"	NA
"649467"	649467	"2-[2-[4,5-Bis(benzenesulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethoxy-tert-butyl-dimethylsilane"	"CC(C)(C)[Si](C)(C)OCCc1ccccc1C2CC3(ON2CC3S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	"373323"	NA
"649471"	649471	"2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol"	"CC(C)(O)C(=C=C)Sc1ccccc1"	0	""	""	1	1	"373327"	NA
"649484"	649484	""	"CCCCCCCOc1ccc(\C=C/c2cc[n+](CCCCCCCC[n+]3ccc(\C=C/c4ccc(OCCCCCCC)cc4)cc3)cc2)cc1"	0	NA	NA	1	1	"504498"	NA
"649491"	649491	"2',6'-dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4ccccc4C3=O)C=C(Br)C1=O"	0	""	""	1	1	"373332"	NA
"649567"	649567	"(2Z)-N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide"	"O\N=C(\CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3)/C(=O)NC4=C(Cl)C(=O)c5ccccc5C4=O"	0	""	""	1	1	"54692865"	NA
"649574"	649574	""	"CC(C)(C)N\N=C(\Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O)/C(=O)NC5=C(Cl)C(=O)c6ccccc6C5=O"	0	NA	NA	1	1	"504529"	NA
"649576"	649576	"(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide"	"CC(C)(C)N\N=C(\C1C=CCS1(=O)=O)/C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	"9571372"	NA
"649577"	649577	"2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxoacetamide"	"CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	"373362"	NA
"649578"	649578	"N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide"	"OC1=C(COc2ccccc12)C(=O)C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"373363"	NA
"649587"	649587	"2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(7-hydroxynaphthalen-1-yl)-2-oxoacetamide"	"CC1(C)CC(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)C1C(=O)C(=O)Nc4cccc5ccc(O)cc45"	0	""	""	1	1	"373374"	NA
"649612"	649612	"3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine"	"C1CCC2SC3(ON=C(N3CC2C1)c4ccccc4)c5ccccc5"	0	""	""	1	1	"373385"	NA
"649639"	649639	""	"O=C1C(CN(Cc2ccccc2)Cc3ccccc3)CCCC1CN(Cc4ccccc4)Cc5ccccc5"	0	NA	NA	3	2	"504559"	NA
"649651"	649651	"17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene"	"COc1cc2CSCc3c(C)sc(CSCc1cc2OC)c3Br"	0	""	""	1	1	"373408"	NA
"649664"	649664	"10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene"	"C1C2=C(Nc3ncnn3C2c4ccccc4)c5ccccc15"	0	""	""	1	1	"373409"	NA
"649666"	649666	"2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione"	"COC1=C(OC)C(=O)C2=C(C=C(C)C(=O)C(=C2)C)C1=O"	0	""	""	3	2	"373411"	NA
"649667"	649667	"2,3-dibromobenzo[7]annulene-1,4,7-trione"	"BrC1=C(Br)C(=O)C2=C(C=CC(=O)C=C2)C1=O"	0	""	""	3	2	"373412"	NA
"649677"	649677	"N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c5cc(NC6OC(CO)C(O)C(O)C6O)ccc5[nH]c24"	0	""	""	3	3	"5465490"	NA
"649748"	649748	"2-Didin"	"Cc1noc(NC2=C\C(=N/c3onc(C)c3C)\c4ccccc4C2=O)c1C"	0	""	""	1	1	"9571373"	NA
"649750"	649750	"2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone"	"Cc1onc(NC2=C\C(=N/c3cc(C)on3)\c4ccccc4C2=O)c1"	0	""	""	2	2	"373420"	NA
"649752"	649752	"1-(4-Bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine"	"CNS(=O)(=O)NNS(=O)(=O)c1ccc(Br)cc1"	0	""	""	1	1	"373421"	NA
"649801"	649801	""	"COc1ccccc1NC(=O)\C(=N/NC(=O)C[N+](C)(C)C)\Cc2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	"504609"	NA
"649803"	649803	"5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	"O=C1CCCCCCCCCCC1CC2C(=O)NC(=O)NC2=O"	0	""	""	1	1	"373445"	NA
"649808"	649808	""	"Cc1ccc(NC(=O)\C(=N/NC(=O)C[n+]2ccccc2)\Cc3nc4ccc(cc4nc3O)[N+](=O)[O-])c(C)c1"	0	NA	NA	1	1	"504615"	NA
"649811"	649811	"2h-1-benzopyran-3-acetamide, n-(3-chloro-1,4-dioxo- 2-na..."	"OC1=C(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)Oc4ccccc14"	0	""	""	2	2	"54693275"	NA
"649814"	649814	"5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione"	"CC1(C)CC(=O)C(CCC(=O)\C=C\c2ccccc2)C(=O)C1"	0	""	""	2	1	"6291329"	NA
"649816"	649816	""	"Cc1ccc(NC(=O)\C(=N\NC(C)(C)C)\CC2Nc3c(NC2O)ccc4C(=O)c5ccccc5C(=O)c34)cc1"	0	NA	NA	1	1	"504623"	NA
"649825"	649825	"N-(4-Bromo-2,6-dimethylphenyl)-2-[5-[(1,3-dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-2-oxoacetamide"	"Cc1cc(Br)cc(C)c1NC(=O)C(=O)C2C(=O)C(CC3C(=O)c4ccccc4C3=O)C(=O)CC2(C)C"	0	""	""	1	1	"373469"	NA
"649826"	649826	"(2E)-N-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)-2-(7-hydroxy-2,4-dioxochromen-3-ylidene)-2-[(2-pyridin-1-ium-1-ylacetyl)diazenyl]acetamide;chloride"	"OC1=C(\C(=N\NC(=O)C[n+]2ccccc2)\C(=O)NC3=C(Cl)C(=O)c4ccccc4C3=O)C(=O)Oc5cc(O)ccc15"	0	""	""	1	1	"135483951"	NA
"649836"	649836	""	"COC(=O)\C(=N\NC(=O)N)\C(C(=O)C(=O)Nc1ccc(C)cc1)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	NA	NA	1	1	"504643"	NA
"649890"	649890	"Alvocidib"	"CN1CC[C@H]([C@@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	"CCNT1|PK:STK,CDK,CDK1,CDK2,CDK4,CDK6,CDK7,CDK8,CDK9"	"Clinical trial"	11	6	"-1"	"131740095"
"649892"	649892	"N-(tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide"	"CN(C(=O)C12C3C4C1C5C2C3C45I)C(C)(C)C"	0	""	""	2	1	"373485"	NA
"649895"	649895	"2-Cuban-1-ylsulfanylpyridine"	"S(c1ccccn1)C23C4C5C6C(C2C46)C35"	0	""	""	2	1	"373488"	NA
"649900"	649900	"pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro- 2-(..."	"Cc1c(CCCl)c(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	3	3	"373493"	NA
"649902"	649902	"2-Methyl-4-[(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)diazenyl]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione"	"CN1C(=O)N2C(=C(N=NC3=C4Nc5ccccc5N4C(=O)N(C)C3=O)C1=O)Nc6ccccc26"	0	""	""	1	1	"373494"	NA
"649904"	649904	"cyclopentanone, 5-[(4-morpholinyl)methyl]-2-pentylidene-..."	"CCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	4	2	"5467291"	NA
"649906"	649906	"(5E)-2-[(dimethylamino)methyl]-5-hexylidenecyclopentan-1-one"	"CCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	2	2	"5467295"	NA
"649907"	649907	"(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	2	1	"5467296"	NA
"649908"	649908	"(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride"	"CCCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	2	2	"5467298"	NA
"649909"	649909	"(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CCCCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	1	1	"5467300"	NA
"649910"	649910	"(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CCCCCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	3	2	"5467302"	NA
"649970"	649970	""	"COc1cc2O[C@H]3[C@H](COc4ccccc34)c2c(C)c1O"	0	NA	NA	1	1	"504681"	NA
"649975"	649975	""	"COc1ccc(cc1OC)C2Oc3ccc(O)cc3[C@@H]2C"	0	NA	NA	1	1	"504686"	NA
"649976"	649976	""	"COc1ccc(cc1)C2Oc3cc(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	"504687"	NA
"649977"	649977	""	"COc1cc2OC([C@@H](C)c2cc1O)c3ccccc3OC"	0	NA	NA	1	1	"504688"	NA
"649978"	649978	""	"COc1ccc(cc1OC)C2Oc3cc(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	"504689"	NA
"649979"	649979	""	"COc1cc2OC([C@@H](C)c2cc1O)c3ccc(Cl)cc3"	0	NA	NA	1	1	"504690"	NA
"649981"	649981	""	"COc1ccc(cc1OC)C2Oc3c(C)c(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	"504692"	NA
"649998"	649998	"N-(3-Chloro-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide"	"ClC1C(N(NC(=O)Cc2ccccc2)C1=O)c3ccccc3"	0	""	""	1	1	"373545"	NA
"649999"	649999	"N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1ccccc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	"373546"	NA
"650001"	650001	"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"[O-][N+](=O)c1cccc(c1)C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	2	2	"373548"	NA
"650011"	650011	"N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1c(Br)cc(Br)cc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	"373558"	NA
"650012"	650012	"N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1ccc(Br)cc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	"373559"	NA
"650014"	650014	"3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"Oc1ccccc1C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	"373561"	NA
"650018"	650018	"3-[3-Chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one"	"[O-][N+](=O)c1ccc(cc1)C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	"373565"	NA
"650021"	650021	"3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"ClC1C(N(N2C=Nc3ccccc3C2=O)C1=O)c4ccccc4Cl"	0	""	""	1	1	"373568"	NA
"650025"	650025	"3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"Oc1ccc(Br)cc1C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	2	2	"373572"	NA
"650043"	650043	"2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde"	"O=Cc1ccccc1OCCOc2cc(OCCOc3ccccc3C=O)c(OCCOc4ccccc4C=O)cc2OCCOc5ccccc5C=O"	0	""	""	2	1	"373590"	NA
"650204"	650204	"2-O-Ethyl 6-O-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate"	"CCOC(=O)C1C(NC(C(C(=O)OC)S1(=O)=O)c2ccc(C)cc2)c3ccc(Cl)cc3Cl"	0	""	""	1	1	"373600"	NA
"650259"	650259	"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(OCC(F)(F)F)ccc4[nH]c13"	0	""	""	2	2	"373608"	NA
"650260"	650260	"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(OCC(F)(F)F)ccc4[nH]c13"	0	""	""	2	2	"373610"	NA
"650262"	650262	"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	"373612"	NA
"650263"	650263	"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	"373614"	NA
"650265"	650265	"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CC(C)Oc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	"373616"	NA
"650266"	650266	"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"CC(C)Oc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	"373618"	NA
"650267"	650267	"9-Phenoxyellipticine"	"Cc1c2ccncc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	1	"373619"	NA
"650268"	650268	"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	2	"373620"	NA
"650269"	650269	"2,5,11-trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	"CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	2	"10431819"	NA
"650289"	650289	"protein toxin a 23 - mw approx. 6700"	NA	0	NA	NA	2	2	"504786"	NA
"650290"	650290	"protein toxin b 15 - mw approx 6700"	NA	0	NA	NA	2	2	"504787"	NA
"650291"	650291	"protein toxin c 10 - mw approx. 6700"	NA	0	NA	NA	2	2	"504788"	NA
"650292"	650292	"protein toxin d 5 - mw approx 6700"	NA	0	NA	NA	2	2	"504789"	NA
"650351"	650351	"7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"COc1cccc2c1c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	1	1	"373631"	NA
"650352"	650352	"11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCCCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	1	1	"373632"	NA
"650355"	650355	"9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	"373635"	NA
"650357"	650357	"4-(4-Bromophenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(Br)cc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	"373637"	NA
"650360"	650360	"4-(4-Methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	1	1	"373640"	NA
"650361"	650361	""	"COc1ccc(cc1)N2C(=O)[C@@H]3[C@@H]4CC(C)CC[C@@H]4c5c([nH]c6ccccc56)[C@@H]3C2=O"	0	NA	NA	2	2	"504807"	NA
"650362"	650362	"4-(4-Methoxyphenyl)-4,22-diazapentacyclo[13.7.0.02,6.07,14.016,21]docosa-1(15),16,18,20-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	"373642"	NA
"650363"	650363	"13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.10.0.02,10.03,8.011,15]hexacosa-2(10),3,5,7-tetraene-12,14-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCCCCCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	"373643"	NA
"650365"	650365	"2-(4-Methoxyphenyl)-5-(p-tolyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione"	"COc1ccc(cc1)N2C(=O)C3CC(c4ccc(C)cc4)c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	"373645"	NA
"650366"	650366	"5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"COc1ccc(cc1)N2C(=O)C3CC(c4ccc(Br)cc4)c5c([nH]c6ccccc56)C3C2=O"	0	""	""	1	1	"373646"	NA
"650367"	650367	"10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCn1c2C3C(CC(c4ccccc4)c2c5ccccc15)C(=O)N(C3=O)c6ccccc6"	0	""	""	1	1	"373647"	NA
"650370"	650370	"1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid"	"OC(=O)C1Cc2[nH]c3ccccc3c2C4CCCC14"	0	""	""	1	1	"373650"	NA
"650395"	650395	"tyloindicine h"	"COc1ccc2C3=C[C@@H]4CCCN4C[C@@H]3c5cc(OC)c(OC)cc5c2c1O"	0	""	""	3	1	"373660"	"138964882"
"650396"	650396	"tyloindicine i"	"COc1ccc(cc1OC)C2=CN3CCC[C@H]3C=C2c4cc(O)c(OC)c(OC)c4"	0	""	""	4	1	"373661"	"138935521"
"650426"	650426	"KRN5500"	"CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO"	0	NA	NA	4	3	"581825"	"151276958"
"650436"	650436	"Budmunchiamine A"	"CCCCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(C)CCCN1C"	0	""	""	2	1	"373662"	NA
"650438"	650438	"(z)-n-[2-(2,5-dihydroxyphenyl)ethenyl]-formamide (cis er..."	"Oc1ccc(O)c(\C=C/NC=O)c1"	0	""	""	2	2	"5467316"	"108536249"
"650463"	650463	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(C)cc2)c3ccc(C)cc3"	0	NA	NA	2	1	"504837"	NA
"650464"	650464	""	"O=C1C(CN2CCCCC2)CCCC1CN3CCCCC3"	0	NA	NA	2	2	"504838"	NA
"650470"	650470	""	"CCC12C=CCN3CC[C@@]4(C13)C(=C([C@@H]2NC5=NC(=O)N(C=C5)C6OC(COC(=O)C)C(OC(=O)C)C6OC(=O)C)C(=O)OC)Nc7ccccc47"	0	NA	NA	2	1	"504844"	NA
"650471"	650471	"calactin"	"CC1CC(O)[C@]2(O)O[C@@H]3CC4(C=O)C(CCC5C4CCC6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1"	0	NA	NA	3	3	"504845"	"20304476"
"650563"	650563	"Tyrphostin AG-114"	"NC(=C(C#N)C#N)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	""	""	2	1	"5328806"	NA
"650573"	650573	"naphth[2,3-d]oxazol-9-one, 2-methyl-4-(phenylimino)-"	"Cc1oc2C(=O)c3ccccc3\C(=N/c4ccccc4)\c2n1"	0	""	""	3	2	"160386"	NA
"650574"	650574	"2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one"	"Cc1oc2\C(=N/c3ccccc3)\c4ccccc4C(=O)c2n1"	0	""	""	1	1	"373683"	NA
"650577"	650577	""	"O=C1CSC(=N1)C(=C2Nc3ccccc3N2)N=Nc4ccccc4"	0	NA	NA	1	1	"504856"	NA
"650582"	650582	"3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione"	"SC1NC=NC2=C1SC(=S)N2CC=C"	0	""	""	1	1	"373690"	NA
"650592"	650592	"(E)-3-chloro-2,3-bis(3-methoxyphenyl)prop-2-enal"	"COc1cccc(c1)\C(=C(/C=O)\c2cccc(OC)c2)\Cl"	0	""	""	1	1	"3004400"	NA
"650594"	650594	"(E)-3-chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal"	"CCCOc1ccc(cc1OCCC)\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	1	1	"3004402"	NA
"650596"	650596	"4,5-Bis(3,4-dimethoxyphenyl)isoxazole"	"COc1ccc(cc1OC)c2oncc2c3ccc(OC)c(OC)c3"	0	""	""	2	2	"373704"	NA
"650597"	650597	"3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene"	"COC1C(=C(Cl)c2cc(OC)c(OC)cc12)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"373705"	NA
"650599"	650599	"1,3-isoquinolinedione, 4-[(3,4-dimethoxyphenyl)methylene]-"	"COc1ccc(\C=C\2/C(=O)NC(=O)c3ccccc23)cc1OC"	0	""	""	4	4	"5467321"	NA
"650611"	650611	"(5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol"	"CC1(CO)COS(=O)OC1"	0	""	""	1	1	"373710"	NA
"650614"	650614	"Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide"	"CCOC(=O)C1(COS(=O)OC1)C(=O)OCC"	0	""	""	1	1	"373713"	NA
"650615"	650615	"Diethyl 3,3-thietanedicarboxylate"	"CCOC(=O)C1(CSC1)C(=O)OCC"	0	""	""	1	1	"373714"	NA
"650617"	650617	"N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)c2ccc(C)cc2"	0	""	""	2	1	"373716"	NA
"650619"	650619	"QC-48"	"Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"373718"	NA
"650626"	650626	"4-Methyl-N-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)c2ccc(C)cc2"	0	""	""	1	1	"373724"	NA
"650628"	650628	"N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCCSCCN"	0	""	""	1	1	"373726"	NA
"650632"	650632	""	"NC(=N)SCCC(=O)CCSC(=N)N"	0	NA	NA	1	1	"504903"	NA
"650637"	650637	"3-ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine"	"CCSCCCN(CCCSCC)CCCSCC"	0	""	""	1	1	"373738"	NA
"650639"	650639	"ACM25676624"	"SCCSCCCSCCS"	0	""	""	1	1	"373740"	NA
"650641"	650641	"1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane"	"CCSCCCSCCSCC"	0	""	""	1	1	"373742"	NA
"650644"	650644	"3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol"	"OCCCSc1ccccc1SCCCO"	0	""	""	1	1	"373745"	NA
"650706"	650706	"1,4-Bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-butyne"	"COC(=O)C1=C(SC(=CC#CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)C(=O)OC"	0	""	""	2	2	"373752"	NA
"650708"	650708	"1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione"	"Cc1ccc(O)c(c1)C(=O)CCCC(=O)c2cc(C)ccc2O"	0	""	""	1	1	"373754"	NA
"650710"	650710	""	"CC1[C@@H](O)CC2C1C3OC(=O)C(C)C3CC[C@@]2(C)OC(=O)C"	0	NA	NA	1	1	"504927"	NA
"650711"	650711	"3-(Dimethyl(phenylthio)germyl)propanenitrile"	"C[Ge](C)(CCC#N)Sc1ccccc1"	0	""	""	1	1	"16683240"	NA
"650712"	650712	"Methyl 3-(dimethyl(phenylthio)germyl)propanoate"	"COC(=O)CC[Ge](C)(C)Sc1ccccc1"	0	""	""	1	1	"16683241"	NA
"650713"	650713	"Dimethyl 2-(dimethyl(phenylthio)germyl)succinate"	"COC(=O)CC(C(=O)OC)[Ge](C)(C)Sc1ccccc1"	0	""	""	1	1	"16683242"	NA
"650717"	650717	"Stipiamide"	"CC(CO)NC(=O)\C(=C\C=C\C=C/C=C/C(=C/C(C)C(O)\C(=C\C(C)CCc1ccccc1)\C)/C)\C"	0	NA	NA	3	2	"504931"	"135383027"
"650718"	650718	"Roseophilin, HCl salt"	"COc1cc(oc1C2=C3N=C4CCCCCCCCC2C(C(C)C)C3=C4)c5[nH]ccc5Cl"	0	""	""	3	1	"135499311"	NA
"650738"	650738	"9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium"	"CCCCc1c2CCCCc2[n+]([O-])c3CCCCc13"	0	""	""	1	1	"373774"	NA
"650744"	650744	"1,1'-biphenyl, 4,4'bis(thiomethyl)-"	"SCc1ccc(cc1)c2ccc(CS)cc2"	0	""	""	3	3	"373780"	NA
"650748"	650748	"(5E)-5-benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one"	"CCCCc1c2CCC\C(=C/c3ccccc3)\c2nc4C(=O)C(CN(C)C)CCc14"	0	""	""	3	1	"5467330"	NA
"650758"	650758	""	"CCCCc1c2CCCCc2nc3C(=O)\C(=C\c4ccc(cc4)[N+](=O)[O-])\CCc13"	0	NA	NA	1	1	"504964"	NA
"650763"	650763	"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline"	"COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC"	0	""	""	2	2	"373798"	NA
"650764"	650764	"4-methyl-n-(3,4,5-trimethoxybenzyl) aniline hydrochloride"	"COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC"	0	NA	NA	2	2	"504968"	NA
"650765"	650765	"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline"	"CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	"373800"	NA
"650766"	650766	"4-ethyl-n-(3,4,5-trimethoxybenzyl)aniline, hydrochloride"	"CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	4	4	"504970"	NA
"650768"	650768	"4-i-propyl-n-(3,4,5-trimethoxybenzyl)aniline hydrochloride"	"COc1cc(CNc2ccc(cc2)C(C)C)cc(OC)c1OC"	0	NA	NA	1	1	"504972"	NA
"650769"	650769	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline"	"CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	"373806"	NA
"650770"	650770	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	"CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	4	2	"504974"	NA
"650771"	650771	"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline"	"COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC"	0	""	""	4	3	"373808"	NA
"650772"	650772	"4-methylthio-n-(3,4,5-trimethoxybenzyl)aniline hydrochlo..."	"COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC"	0	NA	NA	4	2	"504976"	NA
"650773"	650773	"z-1-(4-methylthio-2-(3,4,5-trimethoxyphenyl)ethene"	"COc1cc(\C=C/c2ccc(SC)cc2)cc(OC)c1OC"	0	NA	NA	3	2	"504977"	NA
"650779"	650779	"4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane"	"Cc1ccc(cc1)S(=O)(=O)N2CCSCCN(CCN(CC2)S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"373816"	NA
"650792"	650792	"1,4,7,10-tetrathia-13-azacyclopentadecane, 13-[(4-methyl..."	"Cc1ccc(cc1)S(=O)(=O)N2CCSCCSCCSCCSCC2"	0	""	""	3	2	"373829"	NA
"650808"	650808	"1,5,9,13,17-pentathiacycloeicosane"	"C1CSCCCSCCCSCCCSCCCSC1"	0	""	""	2	1	"373845"	NA
"650814"	650814	"2-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)N\N=C\c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"9555906"	NA
"650815"	650815	"N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)N\N=C\c4ccc(Cl)cc4"	0	""	""	1	1	"9555907"	NA
"650817"	650817	"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide"	"O=C(CSc1nc(c2ccccc2)c([nH]1)c3ccccc3)NNC(=S)Nc4ccccc4"	0	""	""	1	1	"3004405"	NA
"650818"	650818	"2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)NNC(=S)Nc4ccccc4"	0	""	""	1	1	"3004406"	NA
"650819"	650819	"3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione"	"CCN1C(=S)NN=C1CSc2nc(c3ccccc3)c([nH]2)c4ccccc4"	0	""	""	1	1	"3004407"	NA
"650825"	650825	""	"CCN1C(=Nc2ccccc2C1=O)SC(C)C(=O)C3=C(C)N(C)N(C3=O)c4ccccc4"	0	NA	NA	1	1	"505029"	NA
"650826"	650826	"2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one"	"CN1N(C(=O)C(=C1C)C(=O)CSC2=Nc3ccccc3C(=O)N2c4ccccc4)c5ccccc5"	0	""	""	1	1	"373863"	NA
"650827"	650827	"1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one"	"CN1N(C(=O)C(=C1C)c2coc(n2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"373864"	NA
"650836"	650836	"Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	"CCOC(=O)C(C)Sc1nnc(COc2ccccc2OC)n1c3ccccc3"	0	""	""	1	1	"373873"	NA
"650837"	650837	"Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	"CCOC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	"373874"	NA
"650875"	650875	"Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane"	"COP1(=S[Fe+3]23([SH-]P(=S2)(OC)OC)([SH-]P(=S3)(OC)OC)[SH-]1)OC"	0	""	""	1	1	"457406"	NA
"650877"	650877	"8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione"	"CC(OC1CC(=O)CC2C1C(=O)C=CC2=O)c3ccccc3"	0	""	""	2	2	"373885"	NA
"650882"	650882	"Dermocanarin-4"	"COC1=CC(=O)c2c(O)c3c(CC(C)(O)CC(=O)Oc4c3c(OC)cc5cc6CC(C)(O)CC(=O)c6c(O)c45)cc2C1=O"	0	""	""	2	1	"373887"	NA
"650893"	650893	"halomon"	"CC(C)(Cl)[C@H](Br)CC[C@](Cl)(CBr)C(=C)Cl"	0	NA	NA	5	5	"505060"	NA
"650908"	650908	"2-butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholiny..."	"CCOc1ccc(cc1OC)C(CN2CCOCC2)C(=O)C"	0	NA	NA	1	1	"505071"	NA
"650914"	650914	"Phenoxan"	"CCC1=C(OC(=C(C)C1=O)OC)c2coc(CC\C(=C\c3ccccc3)\C)n2"	0	""	""	2	2	"5467345"	NA
"650931"	650931	"2'-Bromo-4'-epi-daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5OC(C)C(O)C(N)C5Br)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	3	3	"505078"	NA
"650934"	650934	"2-propenenitrile, 3-(1h-indol-3-yl)-2-(3,4-dihydroxy- be..."	"Oc1ccc(cc1O)C(=O)\C(=C\c2c[nH]c3ccccc23)\C#N"	0	""	""	2	1	"5329275"	NA
"650935"	650935	"3,8-Dimethyl-1,2-naphthoquinone"	"CC1=Cc2cccc(C)c2C(=O)C1=O"	0	""	""	2	2	"373912"	NA
"650936"	650936	"Hemigossypolone"	"CC(C)c1c(O)c(O)c(C=O)c2C(=O)C=C(C)C(=O)c12"	0	""	""	2	1	"182249"	NA
"650949"	650949	"1-Benzyl-3-cyano-2-methylguanidine"	"CN\C(=N\C#N)\NCc1ccccc1"	0	""	""	1	1	"373919"	NA
"650958"	650958	""	"NC(=O)N=C(N(Cc1ccccc1)Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	NA	NA	2	1	"505100"	NA
"650959"	650959	"1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine"	"CCCCN(Cc1ccccc1)\C(=N\C#N)\N(Cc2ccccc2)Cc3ccccc3"	0	""	""	2	1	"373931"	NA
"650960"	650960	"N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine"	"CN(Cc1ccccc1)\C(=N/C#N)\N(Cc2ccccc2)Cc3ccccc3"	0	""	""	2	1	"373932"	NA
"650963"	650963	"bis(1-benzhydryl-3-phenyl-aziridin-2-yl)methanone"	"O=C(C1C(N1C(c2ccccc2)c3ccccc3)c4ccccc4)C5C(N5C(c6ccccc6)c7ccccc7)c8ccccc8"	0	""	""	1	1	"373935"	NA
"650973"	650973	"2,2':5',2''-Terthiophene, 3'-methoxy-"	"COc1cc(sc1c2cccs2)c3cccs3"	0	""	""	1	1	"373943"	NA
"650975"	650975	"N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate"	"CN(c1n[n+]2c(csc2s1)c3ccccc3)c4n[n+]5c(csc5s4)c6ccccc6"	0	""	""	1	1	"499053"	NA
"650977"	650977	"3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole"	"C=Cc1c(cnc2[nH]c3ccccc3c12)c4ccccc4"	0	""	""	1	1	"373945"	NA
"650978"	650978	"Ethyl 7-methoxy-12-(4-methoxyphenyl)-11-methyl-6-phenylmethoxy-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8-pentaene-3-carboxylate"	"CCOC(=O)c1cc2c(OCc3ccccc3)c(OC)cc4CC(C)N(c5ccc(OC)cc5)c(n1)c24"	0	""	""	1	1	"373946"	NA
"650980"	650980	""	"Cl[C@@H]1[C@@H]2N(C1=O)c3ccccc3Oc4nc5ccccc5cc24"	0	NA	NA	1	1	"505120"	NA
"650993"	650993	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)NC(=O)c3nn[nH]c23"	0	NA	NA	1	1	"505133"	NA
"650998"	650998	"[4,5-diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate"	"CSC1=NC2=C(N=C(C)C(=O)N2C3OCC(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=O)N1"	0	""	""	1	1	"135408971"	NA
"651001"	651001	"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-"	"Clc1ccc(cc1)N2COc3c(C2)cc4OC(=O)c5cccc3c45"	0	""	""	2	2	"373969"	NA
"651003"	651003	"2-[(E)-(Dimethylhydrazono)methyl]-3-methyl-furo[2,3-f]quinolin-5-ol"	"CN(C)\N=C\c1oc2c(cc(O)c3ncccc23)c1C"	0	""	""	1	1	"5326297"	NA
"651010"	651010	"7-(.beta.-d-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine"	"Nc1ncnc2c(scc12)C3OC(CO)C(O)C3O"	0	""	""	2	2	"373978"	NA
"651012"	651012	"Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate"	"COC(=O)CC1C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	""	""	1	1	"373980"	NA
"651013"	651013	"alkaloid isolated from west african medicinal plant"	NA	0	NA	NA	4	4	"505153"	NA
"651015"	651015	"1,3,5-naphthalenetrisulfonic acid, 7,7'-[carbonylbis [im..."	"Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(c5cc(cc(c5c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc6cc(C(=O)Nc7cc(c8cc(cc(c8c7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n(C)c6"	0	NA	NA	1	1	"505155"	NA
"651020"	651020	"4-ethoxy-n-(3,4,5-trimethoxybenzylene)aniline"	"CCOc1ccc(cc1)\N=C/c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"373990"	NA
"651038"	651038	"N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide"	"O\N=C\C(=O)Nc1ccc(Cl)c(I)c1"	0	""	""	1	1	"9571384"	NA
"651040"	651040	"5-Chloro-4-iodo-1H-indole-2,3-dione"	"Clc1ccc2NC(=O)C(=O)c2c1I"	0	""	""	1	1	"374000"	NA
"651078"	651078	"1h-pyrrolo[1,2-a]benzimidazole-5,8-dione, 2,3-dihydro- 6..."	"CC1=C(N2CC2)C(=O)c3nc4C(O)CCn4c3C1=O"	0	""	""	3	2	"374004"	NA
"651079"	651079	"antineoplastic-651079"	"CCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	3	2	"374005"	NA
"651080"	651080	"antineoplastic-651080"	"CC1=C(N2CC2)C(=O)c3nc4C(CCn4c3C1=O)OC(=O)CCl"	0	""	""	3	3	"374006"	NA
"651081"	651081	"1h-pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(O)CCn23)C1=O"	0	""	""	2	2	"374007"	NA
"651082"	651082	"1h-pyrrolo[1,2-a}benzimidazole-5,8-dione, 6-(acetylamino..."	"CCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	1	1	"374008"	NA
"651084"	651084	"1h-pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"COCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	6	5	"374010"	NA
"651085"	651085	"1h-pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(CCn23)OC(=O)c4ccccc4)C1=O"	0	""	""	1	1	"374011"	NA
"651086"	651086	"7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate"	"CC(=O)OC1CCCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	2	2	"374012"	NA
"651087"	651087	"4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)"	"CC1OC(=O)C(=C1[O-])C(=O)C.CC2OC(=O)C3=C2[O-][Pt+2]4(N[C@@H]5CCCCC5N4)O=C3C"	0	""	""	1	1	"374013"	NA
"651089"	651089	"N,N-dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride"	"CN(C)CCn1c2ccccc2c3nc4cc5ccccc5cc4nc13"	0	""	""	1	1	"374016"	NA
"651195"	651195	"Antineoplastic-651195"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccc(C)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	"6712004"	NA
"651196"	651196	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(C)cc7)C(=C1C5(C)C)C"	0	""	""	1	1	"6712005"	NA
"651199"	651199	"tetra(isobutenyl)antimony bromide"	"CC(=C[Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C)C"	0	NA	NA	1	1	"505190"	NA
"651200"	651200	"tri(isobutenyl)phenylantimony bromide"	"CC(=C[Sb](Br)(C=C(C)C)(C=C(C)C)c1ccccc1)C"	0	NA	NA	1	1	"505191"	NA
"651201"	651201	"Tri(isobutenyl)-p-anisylantimony bromide"	"COc1ccc(cc1)[Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C"	0	NA	NA	1	1	"505192"	NA
"651241"	651241	"2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole"	"[O-][N+](=O)c1ccc(cc1)C2CC(=NO2)c3ccc(NCc4nc5ccccc5[nH]4)cc3"	0	""	""	1	1	"374045"	NA
"651295"	651295	"8D-021"	"Clc1ccc(cc1)C(=O)c2cnc(Nc3ccccc3Cl)s2"	0	""	""	2	1	"374056"	NA
"651315"	651315	"1,4-Dimethoxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione"	"COc1c(C#CC)c(C#CC)c(OC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"374059"	NA
"651320"	651320	""	"C[C@@H]1OC(=O)C(=C1)CCCCCCCCCCCCC(O)[C@@H]2CC[C@H](O2)[C@@H]3CC[C@H](O3)[C@H](O)CCCCCCCCCCCCC4=CC(C)OC4=O"	0	NA	NA	2	2	"505236"	NA
"651334"	651334	"2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide"	"CCCN(CCC)C(=O)Cc1c2c3ccccc3Cn2c4ccccc14"	0	""	""	1	1	"374074"	NA
"651410"	651410	"3-isoquinolinecarboxamide, 7,8-dihydroxy-n-(phenylmethyl..."	"Oc1ccc2cc(ncc2c1O)C(=O)NCc3ccccc3"	0	NA	NA	1	1	"505280"	NA
"651415"	651415	"Dysorone E"	"CC(=CC1C[C@@H](CO1)C2CC=C3C2(C)CCC4[C@@]5(C)C=CC(=O)[C@](C)(CO)C5CC(=O)[C@@]34C)C"	0	""	""	2	1	"5459221"	NA
"651589"	651589	"antineoplastic-651589"	"CC(C)C(=O)CC(N1N=C(CC1c2ccc(Cl)cc2)C(C)C)c3ccc(Cl)cc3"	0	""	""	3	1	"374135"	NA
"651590"	651590	"Antineoplastic-651590"	"CN(C)CC\C(=N/O)\C"	0	NA	NA	3	2	"505313"	NA
"651593"	651593	""	"CN(C)CC1CCC(CN(C)C)C(=O)C1=O"	0	NA	NA	3	2	"505316"	NA
"651604"	651604	"1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea"	"Cn1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)nc5ccccc15"	0	""	""	1	1	"374147"	NA
"651605"	651605	"N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide"	"Brc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	1	1	"374148"	NA
"651607"	651607	"N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide"	"[O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	2	2	"374150"	NA
"651608"	651608	"1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea"	"Clc1ccc(Cn2c(NC(=O)NC34CC5CC(CC(C5)C3)C4)nc6ccccc26)cc1"	0	""	""	1	1	"374151"	NA
"651614"	651614	"3-azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione"	"CCC1(N=[N+]=[N-])C(=O)Nc2cc(C)ccc2C1=O"	0	""	""	1	1	"374157"	NA
"651629"	651629	"Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate"	"CCOC(=O)CC(NCc1ccc(cc1)\N=C\c2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)C(=O)OCC"	0	""	""	2	1	"374160"	NA
"651632"	651632	"N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine"	"COc1cc(CNc2cnc3cc(N)ccc3n2)cc(OC)c1OC"	0	""	""	1	1	"374163"	NA
"651641"	651641	""	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3O"	0	NA	NA	1	1	"505339"	NA
"651642"	651642	"4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cccc(O)c3"	0	""	""	1	1	"374167"	NA
"651646"	651646	""	"ClCC(=O)Nc1ccc(cc1)C(=O)N\N=C\c2ccc(Cl)cc2"	0	NA	NA	3	2	"581829"	NA
"651648"	651648	"4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide"	"Cc1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3ccc(N)cc3"	0	""	""	1	1	"374172"	NA
"651650"	651650	"4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"COc1ccc(cc1OC)C2C(Cl)C(=O)N2NC(=O)c3ccc(N)cc3"	0	""	""	2	1	"374174"	NA
"651651"	651651	"4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide"	"COc1cc(\C=N\NC(=O)c2ccc(NC(=O)CCl)cc2)cc(Br)c1O"	0	""	""	1	1	"374175"	NA
"651653"	651653	"4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cc(Br)cc(Br)c3O"	0	""	""	1	1	"374177"	NA
"651654"	651654	"4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3Cl"	0	""	""	1	1	"374178"	NA
"651656"	651656	"4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"CC(=O)Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3O"	0	""	""	1	1	"374180"	NA
"651666"	651666	"4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide"	"CC(=O)Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cc(Br)ccc3O"	0	""	""	2	2	"374190"	NA
"651688"	651688	"contignasterol"	"CC(C)[C@@H]1CC(O)OC(C1)C(C)[C@H]2CC(=O)[C@@H]3[C@@H]4[C@@H](O)C(O)C5[C@@H](O)C(O)CC[C@]5(C)C4CC[C@]23C"	0	""	""	1	1	"374202"	NA
"651694"	651694	"4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole"	"CC1(C)OCN(Cn2c1nc3ccccc23)c4ccc(Cl)cc4"	0	""	""	2	2	"374204"	NA
"651703"	651703	"4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one"	"CN1N(C(=O)C(=C1C)c2oc(nn2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	"374213"	NA
"651704"	651704	"salicylic acid, 3,5-dibromo-,(antipyrinylmethylene)hydra..."	"CN1N(C(=O)C(=C1C)\C=N\NC(=O)c2cc(Br)cc(Br)c2O)c3ccccc3"	0	""	""	1	1	"9571390"	"101868308"
"651709"	651709	"17-[Phenyl(undec-10-enyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene"	"C=CCCCCCCCCCP(=O)(c1ccccc1)c2ccc3OCCOCCOCCOCCOc3c2"	0	""	""	1	1	"374219"	NA
"651715"	651715	"YQDYZPHMROBRNT-UHFFFAOYSA-N"	"O=C1OC2(OC2c3ccccc3)c4ccccc14"	0	""	""	1	1	"374225"	NA
"651726"	651726	"Homovinblastine methanesulfonate salt"	"CC[C@]1(O)CC2CN(CCCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)[C@]8(CC)C=CC[N@@]9CCC67C89)C(=O)OC)C1"	0	""	""	2	2	"11970002"	NA
"651727"	651727	".alpha.-cyclopentoblastine methanesulfonate salt"	"CC[C@@]12C=CC[N@@]3CCC4(C13)C(N(C)c5cc(OC)c(cc45)[C@]6(CC7CN(CCc8c6[nH]c9ccccc89)C[C@@H]%10CCC[C@H]7%10)C(=O)OC)C(O)(C2OC(=O)C)C(=O)OC"	0	""	""	3	2	"11970004"	NA
"651744"	651744	"Antineoplastic-651744"	"C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)ON2C(=O)CCC2=O)cc1)c3ccccc3"	0	""	""	3	1	"374245"	NA
"651752"	651752	"EU-0070102"	"Cc1ccc(cc1)n2c(C)nc3C(=O)c4ccccc4C(=O)c23"	0	""	""	1	1	"374251"	NA
"651756"	651756	"2-Methyl-1-(pentan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCCC(C)n1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"374255"	NA
"651760"	651760	"2-Methyl-1-(2-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCC(C)Cn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"374259"	NA
"651765"	651765	"N-[3-[(4-chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(NCc2ccc(Cl)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"374264"	NA
"651766"	651766	"N-[3-[(4-methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	"COc1ccc(CNC2=C(NC(=O)C)C(=O)c3ccccc3C2=O)cc1"	0	""	""	1	1	"374265"	NA
"651768"	651768	"N-[1,4-dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide"	"CCC(CC)NC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"374267"	NA
"651769"	651769	"N-[3-(3-methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(C)CCNC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"374268"	NA
"651772"	651772	"1-[2-(Dimethylamino)ethyl]-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CN(C)CCn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"374271"	NA
"651774"	651774	"1-(4-Chlorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccc(Cl)cc4"	0	""	""	1	1	"374273"	NA
"651776"	651776	"1-(4-Fluorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccc(F)cc4"	0	""	""	1	1	"374275"	NA
"651777"	651777	"2-Methyl-1-(4-methylbenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1ccc(Cn2c(C)nc3C(=O)c4ccccc4C(=O)c23)cc1"	0	""	""	1	1	"374276"	NA
"651780"	651780	"N-[3-(2-methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(C)CNC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"374279"	NA
"651781"	651781	"N-[3-(tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(NC(C)(C)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"374280"	NA
"651782"	651782	"Antineoplastic-651782"	"O=C(OC\C=C/1\O\C(=N/N(C(=O)c2ccccc2)c3ccccc3)\C(=C1)OC(=O)c4ccccc4)c5ccccc5"	0	NA	NA	3	1	"505455"	NA
"651807"	651807	"2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene"	"COc1ccc(cc1)[C@@]23c4ccc(OC)cc4C[C@@]2(Cc5cc(OC)ccc35)c6ccc(cc6)[N+](=O)[O-]"	0	""	""	3	1	"374288"	NA
"651809"	651809	"[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate"	"CC(=O)ON(C1C(COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC5OC6(CCCC6)OC15)C(=O)C"	0	""	""	2	2	"374290"	NA
"651815"	651815	""	"CC1=CN(C2CC(C(CO)O2)N(O)Cc3ccccc3)C(=O)NC1=O"	0	NA	NA	1	1	"505472"	NA
"651827"	651827	"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate"	"CCCCCCCC(CC(=O)OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)NC(CO)C(=O)NC(CO)CC(C)C)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O"	0	""	""	3	1	"374298"	NA
"651837"	651837	""	"CCN(CC)CC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CN(CC)CC)ccc3C(=O)c2c1"	0	NA	NA	1	1	"505484"	NA
"651839"	651839	""	"CCN(CC)CCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN(CC)CC)ccc3C(=O)c2c1"	0	NA	NA	1	1	"505486"	NA
"651840"	651840	""	"OCCC1CCCCN1CCC(=O)Nc2ccc3C(=O)c4cc(NC(=O)CCN5CCCCC5CCO)ccc4C(=O)c3c2"	0	NA	NA	1	1	"505487"	NA
"651841"	651841	""	"OCCC1CCN(CCC(=O)Nc2ccc3C(=O)c4cc(NC(=O)CCN5CCC(CCO)CC5)ccc4C(=O)c3c2)CC1"	0	NA	NA	1	1	"505488"	NA
"651843"	651843	"2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone"	"OCCN(CCO)CCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN(CCO)CCO)ccc3C(=O)c2c1"	0	""	""	1	1	"374318"	NA
"651845"	651845	"Methyl 4-[2-[[2-[5-acetamido-3-hydroxy-2-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-5-amino-5-oxopentanoate"	"COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(OC(=O)CCNc2c3ccccc3nc4cccc(c24)[N+](=O)[O-])OC(OCc5ccccc5)C1NC(=O)C)C(=O)N"	0	""	""	1	1	"374321"	NA
"651849"	651849	"antineoplastic-651849"	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@@H](CCC(=O)OCCCNC3c4ccccc4Nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	4	1	"374325"	NA
"651850"	651850	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCCCC4)c5cc6OCOc6cc25"	0	""	""	1	1	"374326"	NA
"651851"	651851	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCCCC4)c5cc6OCOc6cc25"	0	""	""	1	1	"374327"	NA
"651852"	651852	"4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C(=O)O)c5cc6OCOc6cc25"	0	""	""	1	1	"374328"	NA
"651853"	651853	"sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C(=O)O)c5cc6OCOc6cc25"	0	""	""	1	1	"54612576"	NA
"651854"	651854	"(5S,8aR)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NC4CCN(Cc5ccccc5)CC4)c6cc7OCOc7cc26"	0	""	""	1	1	"374330"	NA
"651855"	651855	"(5S,8aR)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NC4CCN(Cc5ccccc5)CC4)c6cc7OCOc7cc26"	0	""	""	1	1	"374331"	NA
"651856"	651856	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCOCC4)c5cc6OCOc6cc25"	0	""	""	1	1	"374332"	NA
"651857"	651857	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCOCC4)c5cc6OCOc6cc25"	0	""	""	1	1	"374333"	NA
"651858"	651858	"1-[3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCCN4CCCC4=O)c5cc6OCOc6cc25"	0	""	""	1	1	"374334"	NA
"651859"	651859	"1-[3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCCN4CCCC4=O)c5cc6OCOc6cc25"	0	""	""	1	1	"374335"	NA
"651860"	651860	"(5S,8aR)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	"374336"	NA
"651861"	651861	"(5S,8aR)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	"374337"	NA
"651922"	651922	"7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane"	"COc1ccc2ccccc2c1CN3CCOCCOCCN(Cc4c(OC)ccc5ccccc45)CCOCCOCC3"	0	""	""	3	1	"374351"	NA
"651923"	651923	"3-Methyl-5-propan-2-yl-8-(propyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(propyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol"	"CCC\N=C\c1c(O)c(O)c(C(C)C)c2cc(C)c(c(O)c12)c3c(C)cc4c(C(C)C)c(O)c(O)c(\C=N\CCC)c4c3O"	0	""	""	2	1	"374352"	NA
"652024"	652024	"4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	"NC1=C(SC(=S)N1c2ccccc2)C(=O)N\N=C\c3ccccc3"	0	""	""	1	1	"9571392"	NA
"652025"	652025	"4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	"COc1ccc(\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccccc3)cc1"	0	""	""	1	1	"9571393"	NA
"652028"	652028	""	"CCOC(=O)\C(=C/1\SC(=C(N)N1c2ccccc2)C(=O)N\N=C\c3ccc(OC)cc3)\C#N"	0	NA	NA	1	1	"505533"	NA
"652031"	652031	"6-[(E)-(4-methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one"	"COc1ccc(\C=N\N2C=NC3=C(SC(=S)N3c4ccccc4)C2=O)cc1"	0	""	""	1	1	"9571399"	NA
"652033"	652033	""	"Cc1ccc(cc1)N2C(=S)S\C(=C/3\SC(=C(N)N3c4ccccc4)C(=O)N)\C2=O"	0	NA	NA	1	1	"505538"	NA
"652034"	652034	""	"CCOC(=O)C1=C(N)N(\C(=C\2/SC(=S)N(C2=O)c3ccc(C)cc3)\S1)c4ccccc4"	0	NA	NA	2	1	"505539"	NA
"652035"	652035	""	"Cc1ccc(cc1)N2C(=S)S\C(=C/3\SC(=C(N)N3CC=C)C(=O)N)\C2=O"	0	NA	NA	1	1	"505540"	NA
"652047"	652047	"2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one"	"COc1ccc(\C=C(/C2=NC(=O)CS2)\c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	"5467405"	NA
"652048"	652048	"2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one"	"Clc1ccc(\C=C(/C2=NC(=O)CS2)\c3nc4ccccc4[nH]3)cc1"	0	""	""	2	2	"5467406"	NA
"652049"	652049	"2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	"Cc1ccc(cc1)N=NC(C2=NC(=O)CS2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"374383"	NA
"652050"	652050	"2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	"Clc1ccc(cc1)N=NC(C2=NC(=O)CS2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"374384"	NA
"652051"	652051	"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	"COc1ccc(\C=C\2/SC3=C(C(C(=C(N)N3C2=O)C#N)c4ccc(OC)cc4)c5nc6ccccc6[nH]5)cc1"	0	""	""	1	1	"6477375"	NA
"652052"	652052	"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	"NC1=C(C#N)C(C(=C2S\C(=C/c3ccc(Cl)cc3)\C(=O)N12)c4nc5ccccc5[nH]4)c6ccc(Cl)cc6"	0	""	""	1	1	"6036038"	NA
"652094"	652094	"Panicein B3"	"C\C(=C/Cc1cc(O)ccc1O)\CCc2c(C)cc(O)c(C=O)c2C"	0	""	""	1	1	"5467407"	NA
"652095"	652095	"Panicein C"	"C\C(=C/Cc1cc(O)ccc1O)\CCc2c(C)c(O)c(O)c(C=O)c2C"	0	""	""	1	1	"5467408"	NA
"652104"	652104	"mifepristone"	"CC#C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C"	0	""	"FDA approved"	1	1	"6712024"	NA
"652110"	652110	"6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione"	"CC1(C)C\N=C\C(C)(OCc2ccccc2)C(=O)NC(C)(C)C\N=C\C(C)(OCc3ccccc3)C(=O)N1"	0	""	""	1	1	"374400"	NA
"652112"	652112	"Neuro_000367"	"COc1cc(OC)cc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	"374402"	NA
"652113"	652113	"6-(2,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccc(C2=CC(=O)c3cc4OCOc4cc3N2)c(OC)c1"	0	""	""	1	1	"374403"	NA
"652114"	652114	"6-(2,5-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccc(OC)c(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	"374404"	NA
"652115"	652115	"6-(1,3-Benzodioxol-5-yl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4ccc5OCOc5c4"	0	""	""	1	1	"374405"	NA
"652124"	652124	"spiropachysine"	"CC([C@H]1CCC2C3CCC4CC5(CC[C@]4(C)C3CC[C@]12C)N(C)C(=O)c6ccccc56)N(C)C"	0	NA	NA	1	1	"505584"	NA
"652128"	652128	"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole"	"CC(C)OP(=O)(OC(C)C)c1nc(c2ccccc2)n(n1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"374417"	NA
"652137"	652137	"(1Z)-1-diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\Cl"	0	""	""	1	1	"9555908"	NA
"652139"	652139	"1-[bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine"	"CN(C)P(=O)(N(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\N"	0	""	""	1	1	"9555597"	NA
"652143"	652143	""	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NN"	0	NA	NA	1	1	"505603"	NA
"652146"	652146	"1-diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NCCO"	0	""	""	1	1	"3786165"	NA
"652149"	652149	"1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(4-nitroanilino)methanimidamide"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NCCN\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\P(=O)(OC(C)C)OC(C)C"	0	""	""	1	1	"3303944"	NA
"652151"	652151	"1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\Nc2ccc(N\C(=N/Nc3ccc(cc3)[N+](=O)[O-])\P(=O)(OC(C)C)OC(C)C)cc2"	0	""	""	1	1	"3838849"	NA
"652168"	652168	"4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride"	"COc1cc2cc3NCCc4cc(OC)c(OC)c(c2cc1OC)c34"	0	""	""	1	1	"374457"	NA
"652173"	652173	"(4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccccc3O"	0	""	""	4	3	"135499334"	NA
"652174"	652174	"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one"	"COc1ccc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc1"	0	""	""	2	2	"5351408"	NA
"652175"	652175	"2-pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]- 3-meth..."	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccc(cc3)[N+](=O)[O-]"	0	""	""	3	2	"5467414"	NA
"652176"	652176	"(4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	"5467415"	NA
"652177"	652177	"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccc(O)cc3"	0	""	""	2	2	"135499335"	NA
"652178"	652178	"(4E)-2-(2-hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3cccc(O)c3"	0	""	""	2	2	"5467417"	NA
"652179"	652179	"(4E)-2-(2-hydroxybenzoyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one"	"COc1cc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)ccc1O"	0	""	""	2	2	"135499336"	NA
"652180"	652180	"1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one"	"COc1ccc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc1OC"	0	""	""	2	2	"5467419"	NA
"652181"	652181	""	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3occc3"	0	NA	NA	2	2	"505639"	NA
"652182"	652182	"(4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one"	"COc1cc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc(OC)c1OC"	0	""	""	2	2	"5467421"	NA
"652183"	652183	"3h-pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy- 1-naphthale..."	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3c(O)ccc4ccccc34"	0	""	""	2	2	"5465537"	NA
"652195"	652195	"(4Z)-5-methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one"	"CC1=NN(C(=O)Cc2ccccc2)C(=O)/C/1=C\c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"5467430"	NA
"652197"	652197	"(4Z)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one"	"COc1cc(\C=C/2\C(=NN(C(=O)Cc3ccccc3)C2=O)C)ccc1O"	0	""	""	1	1	"135499341"	NA
"652202"	652202	"(4Z)-4-[(2-hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one"	"CC1=NN(C(=O)Cc2ccccc2)C(=O)/C/1=C/c3c(O)ccc4ccccc34"	0	""	""	1	1	"5465542"	NA
"652257"	652257	"9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"COc1ccc2c3ccc4C(=O)C=CC(=O)c4c3n(C)c2c1"	0	""	""	1	1	"374506"	NA
"652260"	652260	"4-(4-Methoxyphenyl)-8,8,10,10-tetramethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C(C2=O)c4[nH]c5ccccc5c4C6CC(C)(C)CC(C)(C)C36"	0	""	""	1	1	"374509"	NA
"652274"	652274	"14-(Methoxymethyl)-3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-triene-4,15-dione"	"COCC12CC(CC1=O)C3C2ON4c5ccccc5C(=O)C34c6ccccc6"	0	""	""	1	1	"374523"	NA
"652285"	652285	"6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Cc1ccc(cc1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"374534"	NA
"652287"	652287	"sos bismethanol"	"OCc1ccc(s1)c2oc(cc2)c3ccc(CO)s3"	0	""	""	8	8	"374536"	"213261597"
"652294"	652294	"3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole"	"COC1OC(OC)C2C1ON=C2c3c(C)cc(C)cc3C"	0	""	""	1	1	"374544"	NA
"652524"	652524	"antineoplastic-652524"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	NA	NA	6	5	"440803334"	NA
"652525"	652525	"antineoplastic-652525"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(Cl)ccc5nc34)C2=O"	0	NA	NA	3	3	"440797671"	NA
"652533"	652533	"8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one"	"Cc1cccc2C(=O)C(=COc12)[Se]C3=COc4c(C)cccc4C3=O"	0	""	""	1	1	"374558"	NA
"652536"	652536	""	"[Au+]([n+]1cc[n-]c1)P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	3	2	"505729"	NA
"652537"	652537	""	"CCC1(CC)C(=O)[N-]([Au+]P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)[N-]([Au+]P(c5ccccc5)(c6ccccc6)c7ccccc7)C1=O"	0	NA	NA	1	1	"505730"	NA
"652538"	652538	""	"C(c1ccccc1)n2cc[n+]3[Au]c4[n+](ccn4Cc5ccccc5)[Au]c6[n+](ccn6Cc7ccccc7)[Au]c23"	0	NA	NA	3	2	"505731"	NA
"652539"	652539	""	"CC1=NN(C(=O)C1([Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)[Au]P(c5ccccc5)(c6ccccc6)c7ccccc7)c8ccccc8"	0	NA	NA	2	1	"505732"	NA
"652547"	652547	"Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate"	"CCOC(=O)C(OCC1CCC=CC1)Sc2ccccc2"	0	""	""	1	1	"374573"	NA
"652549"	652549	"2-[16-(Carboxymethyl)-2,13-dithia-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-5-yl]acetic acid"	"OC(=O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc3ccccc3C1"	0	""	""	1	1	"374575"	NA
"652561"	652561	"1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone"	"C\C(=N\N)\c1ccc2[nH]c3c(C)cc(c(C)c3c2c1)[N+](=O)[O-]"	0	""	""	1	1	"6078917"	NA
"652562"	652562	"4-(4-Fluorophenyl)-2-[8-[[4-(4-fluorophenyl)-5-propyl-1H-imidazol-2-yl]sulfanyl]octylsulfanyl]-5-propyl-1H-imidazole;methanesulfonic acid"	"CCCc1[nH]c(SCCCCCCCCSc2nc(c(CCC)[nH]2)c3ccc(F)cc3)nc1c4ccc(F)cc4"	0	""	""	1	1	"374589"	NA
"652565"	652565	"9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate"	"Cc1nc2c(C)c3c4cc(Cl)ccc4[nH]c3c(C)c2c(O)c1C"	0	""	""	3	2	"374595"	NA
"652585"	652585	"6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide"	"NC1=NS(=O)(=O)Nc2nc([nH]c12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"135408995"	NA
"652590"	652590	"1,1-dioxo-2,6-diphenethyl-1,2,6-thiadiazinane-3,5-dione"	"O=C1CC(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc3ccccc3"	0	""	""	1	1	"374621"	NA
"652591"	652591	"N-acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide"	"CC(=O)N(C(=O)C)C1=C2C(N3N(C1)C(=O)N(C3=O)c4ccccc4)N(c5ccccc25)S(=O)(=O)c6ccccc6"	0	""	""	1	1	"374622"	NA
"652594"	652594	"Diphenylphosphanide;gold;dinitrate"	"[O-][N+](=O)[O-][Au+2]12[Au+2]([O-][N+](=O)[O-])([P-]1(c3ccccc3)c4ccccc4)[P-]2(c5ccccc5)c6ccccc6"	0	""	""	1	1	"374625"	NA
"652596"	652596	""	"CC(C)(C)C1=CC(=C2C(=O)C(=O)c3ccccc3C2=O)C=C(C1=O)C(C)(C)C"	0	NA	NA	1	1	"505785"	NA
"652603"	652603	"bengazole a"	"CCCCCCCCCCCCC(=O)OC(c1ocnc1)c2occ(n2)C(O)CC(O)C(O)C(C)O"	0	""	""	3	2	"374628"	NA
"652605"	652605	""	"O\N=C(\Nc1ccc(cc1)c2ccc(N\C(=N\O)\C(=N/O)\c3ccccc3)cc2)/C(=N\O)/c4ccccc4"	0	NA	NA	1	1	"505788"	NA
"652680"	652680	"brefeldin a bis-(n,n-dimethylglycine) ester hydrochlorid..."	"C[C@H]1CCC\C=C\C2CC(CC2C(OC(=O)CN(C)C)\C=C\C(=O)O1)OC(=O)CN(C)C"	0	""	""	3	2	"24202420"	NA
"652683"	652683	"Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O"	0	""	""	2	1	"374647"	NA
"652728"	652728	"N-(3-hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(O)CCn23)C1=N"	0	""	""	1	1	"374652"	NA
"652730"	652730	"N-(7-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	"COC1=C(NC(=O)C)C(=O)c2nc3CCCn3c2C1=O"	0	""	""	2	1	"374654"	NA
"652731"	652731	"4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione"	"O=C1c2nc3CCCn3c2C(=O)c4c1nc5CCCn45"	0	""	""	3	2	"374655"	NA
"652733"	652733	"deoxyisoauriculatin"	"CC(=CCOc1ccc(cc1)C2=COc3cc4OC(C)(C)C=Cc4c(O)c3C2=O)C"	0	""	""	1	1	"5459223"	NA
"652762"	652762	"N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine"	"Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)cnc2c1"	0	""	""	1	1	"374662"	NA
"652765"	652765	"N2-(4 methoxybenzyl)quinoxaline-2,7-diamine"	"COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1"	0	""	""	1	1	"374665"	NA
"652768"	652768	"2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline"	"O=S(Cc1ccccc1)c2nc3ccccc3nc2c4cccs4"	0	""	""	1	1	"374668"	NA
"652807"	652807	"(3R,3As)-3-phenyl-3a,4-dihydrothiochromeno[4,3-c]pyrazole-2(3H)-carboxamide"	"NC(=O)N1N=C2[C@@H](CSc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	1	1	"374673"	NA
"652809"	652809	"(5R,6S)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide"	"NC(=S)N1N=C2[C@@H](CCCc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	2	2	"5467466"	NA
"652810"	652810	"(3R,3As)-3-phenyl-3a,4-dihydrochromeno[4,3-c]pyrazole-2(3H)-carboxamide"	"NC(=O)N1N=C2[C@@H](COc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	2	2	"374676"	NA
"652812"	652812	"(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole"	"CN1N=C2[C@@H](CCc3ccccc23)C1c4ccccc4"	0	""	""	1	1	"374678"	NA
"652814"	652814	"3-[(3As)-2-methyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenol"	"CN1N=C2[C@@H](CCc3ccccc23)C1c4cccc(O)c4"	0	""	""	1	1	"374680"	NA
"652816"	652816	"(3R,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	"NC(=S)N1N=C2[C@@H](CCc3ccccc23)[C@@H]1c4cccs4"	0	""	""	1	1	"5467468"	NA
"652818"	652818	"(3R,3aS)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	"S=C(Nc1ccccc1)N2N=C3[C@@H](CCc4ccccc34)[C@@H]2c5ccccc5"	0	""	""	1	1	"5467470"	NA
"652821"	652821	"(3S,3aS,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride"	"CN1C[C@H]2[C@H](N(N=C2\C(=C\c3ccccc3)\C1)C(=S)N)c4ccccc4"	0	""	""	1	1	"11970010"	NA
"652884"	652884	""	"Cc1ccc(c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12)[N+](=O)[O-]"	0	NA	NA	2	2	"505853"	NA
"652886"	652886	""	"COc1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-]"	0	NA	NA	2	2	"505855"	NA
"652888"	652888	""	"CN(C)CCCNc1c2cccc(C)c2nc3c(C)ccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	"505857"	NA
"652890"	652890	"RDS-1158"	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(O)c3)\C2=O)cc1O"	0	""	""	3	1	"5467476"	NA
"652891"	652891	"CKY3J88Z94"	"Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1"	0	""	""	3	2	"5467477"	NA
"652892"	652892	"Butein"	"Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1"	0	""	""	3	1	"5281222"	NA
"652893"	652893	"Cyclovalone"	"COc1cc(\C=C\2/CCC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	""	""	4	3	"1550234"	NA
"652903"	652903	"saframycin ar1(ah2), methycarbinol deriv.-, stereoisomer"	NA	0	NA	NA	4	4	"505871"	NA
"652913"	652913	"N'-(4-chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide"	"Clc1ccc(cc1)C(=O)NNC(=O)c2nsc3ccccc23"	0	""	""	1	1	"374721"	NA
"652915"	652915	"2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole"	"o1c(nnc1c2nsc3ccccc23)c4ccccc4"	0	""	""	1	1	"374723"	NA
"652919"	652919	"1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea"	"CCNC(=S)NNC(=O)c1nsc2ccccc12"	0	""	""	1	1	"3004428"	NA
"652920"	652920	"1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea"	"O=C(NNC(=S)Nc1ccccc1)c2nsc3ccccc23"	0	""	""	1	1	"3004429"	NA
"652924"	652924	"5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(Nc2nnc(s2)c3nsc4ccccc34)cc1"	0	""	""	2	2	"374732"	NA
"652925"	652925	"3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole"	"CCn1cnnc1c2nsc3ccccc23"	0	""	""	1	1	"374733"	NA
"652930"	652930	""	"OC(=O)CC\C(=N/Nc1nsc2ccccc12)\c3ccccc3"	0	NA	NA	1	1	"505893"	NA
"652935"	652935	"3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole"	"COc1ccc(cc1)c2nnc3c4ccccc4sn23"	0	""	""	1	1	"374743"	NA
"653000"	653000	"hexahydroxyethylaminomethyl melamine"	"OCCNCN(CNCCO)c1nc(nc(n1)N(CNCCO)CNCCO)N(CNCCO)CNCCO"	0	""	""	2	1	"374756"	NA
"653001"	653001	"Tricyanoethoxymethyl trimethylol melamine"	"OCN(COCCC#N)c1nc(nc(n1)N(CO)COCCC#N)N(CO)COCCC#N"	0	""	""	1	1	"374757"	NA
"653003"	653003	"2h,6h-benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-10-m..."	"COc1c2OC(C)(C)CCc2cc3C(=CC(=O)Oc13)CCc4ccccc4"	0	""	""	1	1	"374759"	NA
"653006"	653006	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccccc3O)n1"	0	""	""	2	2	"135409001"	NA
"653008"	653008	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3cccc(O)c3)n1"	0	""	""	1	1	"135409003"	NA
"653009"	653009	"2-{[2-Chloro-4-(4-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccc(cc3)[N+](=O)[O-])n1"	0	""	""	1	1	"135409004"	NA
"653010"	653010	"2-{[2-Chloro-4-(3-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3cccc(c3)[N+](=O)[O-])n1"	0	""	""	1	1	"135409005"	NA
"653011"	653011	"3-azetidinone, 2-chloro-1-[(6-hydroxy-4-methyl- 2-pyrimi..."	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccc(Cl)cc3)n1"	0	""	""	2	1	"135409006"	NA
"653013"	653013	"2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone"	"COc1ccc(cc1OC)C2N(Nc3nc(C)cc(O)n3)C(Cl)C2=O"	0	""	""	1	1	"135409008"	NA
"653015"	653015	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone"	"COc1cc(cc(OC)c1OC)C2N(Nc3nc(C)cc(O)n3)C(Cl)C2=O"	0	""	""	1	1	"135409010"	NA
"653024"	653024	"2-chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one"	"[O-][N+](=O)c1ccccc1N2C(Cl)C(=O)C2c3c[nH]c4ccccc34"	0	""	""	1	1	"374779"	NA
"653028"	653028	"2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone"	"ClC1N(C(C1=O)c2c[nH]c3ccccc23)c4ccc(Cl)cc4Cl"	0	""	""	1	1	"374783"	NA
"653029"	653029	"N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide"	"Oc1ccccc1C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	"374784"	NA
"653037"	653037	"N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide"	"COc1cc(ccc1O)C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	"374792"	NA
"653039"	653039	"N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide"	"COc1cc(cc(OC)c1OC)C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	"374794"	NA
"653049"	653049	"ipa/no : methyl ether"	"CON=[N+]([O-])NC(C)C"	0	NA	NA	1	1	"581837"	NA
"653146"	653146	"Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate"	"CCCc1c([nH]c(c2ccc(s2)c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)c1C(=O)OCC)C(=O)OCC"	0	""	""	1	1	"374809"	NA
"653147"	653147	"5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde"	"CCCc1cc([nH]c1C=O)c2ccc(s2)c3cc(CCC)c(C=O)[nH]3"	0	""	""	2	2	"374810"	NA
"653148"	653148	"3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde"	"CCCc1c[nH]c(c1)c2ccc(s2)c3cc(CCC)c(C=O)[nH]3"	0	""	""	1	1	"374811"	NA
"653153"	653153	"2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane"	"C(COc1cc(OCCOc2ccccc2C3OCCO3)c(OCCOc4ccccc4C5OCCO5)cc1OCCOc6ccccc6C7OCCO7)Oc8ccccc8C9OCCO9"	0	""	""	1	1	"374816"	NA
"653154"	653154	"kihadalactone a"	"CC(=O)OC1CC2C(C)(C)OC(=O)CC(OC(=O)C)[C@]2(C)C3CCC4(C)C(CC=C4[C@]13C)c5cocc5"	0	""	""	1	1	"374817"	NA
"653244"	653244	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccc(cc6)C(F)(F)F)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	"6712036"	NA
"653245"	653245	"3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol"	"S=C1NC(=S)c2nnn(c2N1)c3ccccc3"	0	""	""	1	1	"135409014"	NA
"653255"	653255	"1-cyano-2-(3',4',5'-trimethoxybenzyl)-10-n-methylphenoth..."	"COc1cc(Cc2ccc3Sc4ccccc4N(C)c3c2C#N)cc(OC)c1OC"	0	""	""	1	1	"374832"	NA
"653260"	653260	"HSCI1_000155"	"Oc1ccc(\C=C(/C#N)\C(=O)NC2CCC(CC3CCC(CC3)NC(=O)\C(=C\c4ccc(O)c(O)c4)\C#N)CC2)cc1O"	0	""	""	2	2	"5467485"	NA
"653263"	653263	"Triphenyl{[1-(phenylsulfonyl)-1h-indol-3-yl]methyl}phosphonium bromide"	"O=S(=O)(c1ccccc1)n2cc(C[P+](c3ccccc3)(c4ccccc4)c5ccccc5)c6ccccc26"	0	""	""	1	1	"374836"	NA
"653267"	653267	"{2-[(Benzylamino)methyl]-1H-indole-1,3-diyl}bis(phenylmethanone)"	"O=C(c1ccccc1)c2c(CNCc3ccccc3)n(C(=O)c4ccccc4)c5ccccc25"	0	""	""	1	1	"374841"	NA
"653268"	653268	"Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate"	"CCOC(=O)CN(Cc1ccccc1)Cc2c(C(=O)c3ccccc3)c4ccccc4n2C(=O)c5ccccc5"	0	""	""	1	1	"374842"	NA
"653270"	653270	"2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone"	"COc1cc(OC)cc(c1)C(=O)Cc2c(C(=O)c3ccccc3)c4ccccc4n2C(=O)c5ccccc5"	0	""	""	1	1	"374844"	NA
"653276"	653276	"{[1-(Methoxycarbonyl)-1H-indol-2-yl]methyl}(triphenyl)phosphonium bromide"	"COC(=O)n1c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc5ccccc15"	0	""	""	1	1	"374850"	NA
"653318"	653318	"3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one"	"O=C1NC2=C(N=C1NC34CC5CC(CC(C5)C3)C4)C(=O)Oc6ccccc26"	0	""	""	1	1	"374858"	NA
"653384"	653384	"epiaschantin"	"COc1cc(cc(OC)c1OC)[C@@H]2OCC3C2COC3c4ccc5OCOc5c4"	0	""	""	1	1	"374872"	NA
"653410"	653410	".beta-Penta-O-galloyl-D-glucose"	"Oc1cc(cc(O)c1O)C(=O)OCC2OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c4cc(O)c(O)c(O)c4)C(OC(=O)c5cc(O)c(O)c(O)c5)C2OC(=O)c6cc(O)c(O)c(O)c6"	0	""	""	1	1	"374874"	NA
"653417"	653417	"6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine"	"Clc1ncnc2c1ncn2CCCCCCCCCCCCn3cnc4c(Cl)ncnc34"	0	""	""	1	1	"374881"	NA
"653420"	653420	""	"C[C@]12CCC3C(CCc4cc(Oc5nc(F)nc(n5)c6c7ccccc7c8SCCn68)ccc34)C1CCC2(O)C#C"	0	NA	NA	1	1	"506039"	NA
"653422"	653422	"2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile"	"Fc1ccc(cc1)n2cc3ccccc3c2C#N"	0	""	""	1	1	"374886"	NA
"653438"	653438	"11h-benzo[g]pyrido[4,3-b]indol-4-ol, 7-[[3-diethylamino)..."	"CCN(CC)CCCNc1ncc(C)c2c1c3ccc4c(O)cccc4c3n2C"	0	""	""	3	2	"374898"	NA
"653499"	653499	"N-DAM"	"[O-][N+](=O)c1ccc(NN2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]"	0	""	""	2	1	"152320"	NA
"653509"	653509	"2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide"	"COP1(=O)Oc2ccccc2C(=O)C(O1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"374924"	NA
"653512"	653512	"4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone"	"CC1CCc2c(C1)sc3ncnc(N\N=C\c4ccc(Cl)cc4)c23"	0	""	""	1	1	"9555913"	NA
"653546"	653546	"2-Bromoethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate"	"COc1cc2cc3N(CCc4cc(OC)c(OC)c(c2cc1OC)c34)C(=O)OCCBr"	0	""	""	1	1	"374932"	NA
"653547"	653547	"[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate"	"CC(C)(C)C(=O)OCC1C(COC1=O)C(=O)N2Cc3cc4ccccc4nc3C2"	0	""	""	3	3	"374933"	NA
"653551"	653551	"4,4-Diethyl-2,6,9-trioxo-1,7-diphenyl-3,5,8-trioxa-4-stannadec-1-yl acetate"	"CC[Sn](CC)(OC(=O)C(OC(=O)C)c1ccccc1)OC(=O)C(OC(=O)C)c2ccccc2"	0	""	""	1	1	"16683246"	NA
"653556"	653556	"Tributylgermyl 2-chloroacetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)CCl"	0	""	""	1	1	"16683248"	NA
"653557"	653557	"Tributylgermyl 3-oxo-3-phenyl-propanoate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)c1ccccc1"	0	""	""	1	1	"16683249"	NA
"653558"	653558	"NCIMech_000758"	"CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC"	0	""	""	1	1	"16683583"	NA
"653563"	653563	"1,4-bis(4-nitrophenyl)-3,6-di(izo-propoxyphosphoryl)-1,4..."	"CC(C)OP(=O)(OC(C)C)C1=NN(C(=NN1c2ccc(cc2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"374954"	NA
"653614"	653614	"[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile"	"COC(CC(=C(C#N)C#N)c1cc(OC)c(OC)c(OC)c1)OC"	0	""	""	1	1	"374956"	NA
"653621"	653621	""	"COC(=O)C(C)N(C)C(=O)[C@H](CC(=O)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C"	0	NA	NA	2	2	"506114"	NA
"653624"	653624	"Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)OCc3ccccc3"	0	""	""	2	1	"6712043"	NA
"653625"	653625	""	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3"	0	NA	NA	2	1	"506118"	NA
"653626"	653626	"Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3"	0	""	""	2	1	"54604791"	NA
"653627"	653627	"Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCC[C@@H]2C(=O)OCc3ccccc3"	0	""	""	2	1	"54608164"	NA
"653629"	653629	"4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)C(=O)\C=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	1	1	"5908269"	NA
"653809"	653809	""	"NC1=NC(=O)N(CC(CO)CC(c2ccccc2)P(=O)(O)O)C=C1"	0	NA	NA	1	1	"506128"	NA
"653813"	653813	"[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane"	"NC1=Nc2c(ncn2CCOC(c3ccccc3)P(=O)(O)O)C(=O)N1"	0	""	""	1	1	"135499350"	NA
"653820"	653820	""	"Nc1nc(N)c2ncn(CC(CO)CC(c3ccccc3)P(=O)(O)O)c2n1"	0	NA	NA	1	1	"506139"	NA
"653821"	653821	""	"Nc1ncnc2c1ncn2CC(CO)CC(c3ccccc3)P(=O)(O)O"	0	NA	NA	1	1	"506140"	NA
"653822"	653822	""	"NC1=NC(=O)N(CC(CO)CC(c2ccccc2)P(=O)(O)O)C=C1"	0	NA	NA	1	1	"506141"	NA
"653823"	653823	"N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide"	"Oc1ccccc1C(NNC(=O)Cc2ccccc2)C#N"	0	""	""	3	2	"374997"	NA
"653830"	653830	"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide"	"Oc1ccc2ccccc2c1C(NNC(=O)Cc3ccccc3)C#N"	0	""	""	3	2	"375004"	NA
"653831"	653831	"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile"	"Cc1cc(O)nc(NNC(C#N)c2ccccc2O)n1"	0	""	""	1	1	"135409022"	NA
"653840"	653840	"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile"	"Cc1cc(O)nc(NNC(C#N)c2c(O)ccc3ccccc23)n1"	0	""	""	1	1	"135409031"	NA
"653841"	653841	"N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(=O)NNC(C#N)c2ccccc2"	0	""	""	1	1	"375015"	NA
"653842"	653842	"N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	"375016"	NA
"653843"	653843	"N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccc(cc1)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	"375017"	NA
"653844"	653844	"N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1cccc(c1)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	"375018"	NA
"653845"	653845	"N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide"	"COc1cc(ccc1O)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	"375019"	NA
"653846"	653846	"benzoic acid, 2-hydroxy-, 2-[(3,4-dimethoxyphenyl)(cyano..."	"COc1ccc(cc1OC)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	"375020"	NA
"653847"	653847	"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(=O)NNC(C#N)c2c(O)ccc3ccccc23"	0	""	""	3	2	"375021"	NA
"653849"	653849	"(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile"	"Cc1cc2ncn(c3nc4ccccc4nc3C(C#N)S(=O)(=O)C)c2cc1C"	0	""	""	1	1	"375023"	NA
"653851"	653851	"Indolizino[2,3-b]quinoxaline-12-carbonitrile"	"N#Cc1c2ccccn2c3nc4ccccc4nc13"	0	""	""	1	1	"375025"	NA
"653852"	653852	"Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate"	"CCOC(=O)c1ccn2c(c1)c(C#N)c3nc4ccccc4nc23"	0	""	""	1	1	"375026"	NA
"653853"	653853	"14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline"	"Brc1c2nc3ccccc3nc2n4ccc5ccccc5c14"	0	""	""	1	1	"375027"	NA
"653855"	653855	"4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone"	"Cc1ccc(cc1)S(=O)(=O)C2c3nc4ccccc4cc3c5nc6ccccc6nc25"	0	""	""	1	1	"375029"	NA
"653857"	653857	"12-(4-Methylphenyl)sulfonyl-10-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaene-14,21-dione"	"Cc1ccc(cc1)S(=O)(=O)C2=C3N=C4C=CC=CC4=CC3=C5C2C(=O)c6ccccc6C5=O"	0	""	""	1	1	"375031"	NA
"653860"	653860	"(5S,5aS)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](NCCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	"375034"	NA
"653861"	653861	"(5S,5aS)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](NCCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	"375035"	NA
"653862"	653862	"diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CC[C@@H](NC(=O)c1ccc(N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1)C(=O)OCC"	0	""	""	1	1	"375036"	NA
"653863"	653863	"ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate"	"CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25"	0	""	""	1	1	"375037"	NA
"653864"	653864	"ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride"	"CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25"	0	""	""	1	1	"375038"	NA
"653936"	653936	"BAS 01081611"	"CC1=Nc2ccccc2C(=O)N1NC(=S)Nc3ccccc3"	0	""	""	1	1	"832521"	NA
"653939"	653939	"1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea"	"CC1=Nc2ccccc2C(=O)N1NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-]"	0	""	""	2	1	"3001685"	NA
"653949"	653949	""	"[R]=O.COc1ccc2[C@@H]3CC[C@]4(C)[C@H](Cc5nonc45)[C@H]3CCc2c1"	0	NA	NA	1	1	"581840"	NA
"654100"	654100	"carnosic acid 12-methyl ether-.gamma.-lactone"	"COc1c(cc2CCC3C(C)(C)CCC[C@@]34C(=O)Oc1c24)C(C)C"	0	NA	NA	1	1	"506234"	NA
"654103"	654103	"1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone"	"O=C(CN(c1ccccc1)c2ccccc2)N3C4C=CC=CC4c5ccccc35"	0	""	""	2	1	"375090"	NA
"654104"	654104	"1-(9H-Carbazol-9-yl)-2-(diphenylamino)propan-1-one"	"CC(N(c1ccccc1)c2ccccc2)C(=O)n3c4ccccc4c5ccccc35"	0	""	""	1	1	"375091"	NA
"654111"	654111	"2-phenyoxyethyl vinyl ether (pheve)"	"C=COCCCOc1ccccc1"	0	""	""	2	1	"375100"	NA
"654206"	654206	"naphthsaritone"	"CC1=CC(=O)c2cccc(O)c2C1=O"	0	""	""	3	2	"375105"	NA
"654207"	654207	"Salpichrolide A"	"CC(C1C[C@]2(C)O[C@]2(C)[C@H](O)O1)c3ccc4C5CC6OC67CC=CC(=O)[C@]7(C)C5CCc4c3"	0	NA	NA	1	1	"506252"	NA
"654208"	654208	"azuleno[6,5-b]furan-2,6(3h,4h)-dione, 3a,7,7a,8,9,9a-hex..."	"C[C@H]1CC2OC(=O)C(=C)C2CC3=C(C)C(=O)CC13"	0	""	""	2	2	"375107"	NA
"654225"	654225	"(E)-N-hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide"	"CCCCCCCC\C=C\CCCCCCCC(=O)N(O)C1CC(OC1CO)N2C=C(C)C(=O)NC2=O"	0	""	""	1	1	"5467513"	NA
"654235"	654235	"1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-"	"COc1c(O)c2ccccc2c3C4CC(C=C4)c13"	0	""	""	1	1	"375112"	NA
"654236"	654236	"10-Methoxyphenanthrene-3,9-diol"	"COc1c(O)c2ccccc2c3cc(O)ccc13"	0	""	""	5	3	"375113"	NA
"654239"	654239	"Cytoblastin"	"CC(C)C1N(C)c2ccc(C(C(O)CO)c3c[nH]c4ccccc34)c5[nH]cc(CC(CO)NC1=O)c25"	0	""	""	1	1	"132024"	NA
"654259"	654259	"Glycylaminophenylbenzoylurea (HCl salt)"	"Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN)ccc1Oc3ncc(Br)cn3"	0	""	""	6	3	"375119"	NA
"654260"	654260	"2-(2-aminopropanamido)-n-(4-(5-bromopyrimidin-2-yloxy)-3..."	"CC(N)C(=O)Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	6	3	"375121"	NA
"654261"	654261	"Dmg amino bpu"	"CN(C)CC(=O)Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	6	3	"375123"	NA
"654283"	654283	"Pyrayafoline B"	"Cc1cc2c(cc1O)[nH]c3cc4OC(C)(C)C=Cc4cc23"	0	""	""	1	1	"375149"	NA
"654284"	654284	"Murrayafoline A"	"COc1cc(C)cc2c3ccccc3[nH]c12"	0	""	""	1	1	"375150"	NA
"654289"	654289	"C23H25NO2"	"CC(=C)C(O)CCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1"	0	""	""	2	1	"375155"	NA
"654376"	654376	"antineoplastic-654376"	"[ClH-][Cu+2]12S=C([N-][N+]1=C(c3ccccc3)c4cccc[n+]24)N5CCCCC5"	0	NA	NA	3	2	"581842"	NA
"654377"	654377	""	"CN(C)C1=S[Cu+2]2([ClH-])O=C3Nc4ccccc4C3=[N+]2[N-]1"	0	NA	NA	2	2	"506308"	NA
"654378"	654378	""	"CN(CCc1ccccn1)C2=S[Cu+2]3([ClH-])([ClH-])[N+](=C(C)c4cccc[n+]34)N2"	0	NA	NA	4	2	"581843"	NA
"654379"	654379	"antineoplastic-654379"	"CCCNC1=S[Cu+2]2([ClH-])([ClH-])[N+](=C(C)c3cccc[n+]23)N1"	0	NA	NA	6	3	"581844"	NA
"654492"	654492	"chloroform/methanol extract from pancratium maritimum l...."	NA	0	NA	NA	1	1	"506319"	NA
"654497"	654497	"chloroform/methanol extract from pancratium maritimum l...."	NA	0	NA	NA	1	1	"506324"	NA
"654508"	654508	"Aclarlubicin HCl"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC"	0	""	""	3	2	"11970023"	NA
"654509"	654509	"pirarubicin hcl"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	3	3	"11970024"	NA
"654622"	654622	"5-Azido-2-methyl-6-phenylpyridazin-3(2h)-one"	"CN1N=C(C(=CC1=O)N=[N+]=[N-])c2ccccc2"	0	""	""	1	1	"375232"	NA
"654628"	654628	"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc(cc1Cl)C(=O)c2ccc(Cl)cc2)C(=O)Nc3c(Cl)cccc3Cl"	0	""	""	1	1	"375239"	NA
"654629"	654629	"N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide"	"CC(C)(Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3)C(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	"375240"	NA
"654630"	654630	"2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(Cl)cc3)C(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	"375241"	NA
"654663"	654663	"auristatin pe"	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc2ccccc2)OC)N(C)C(=O)C(NC(=O)[C@H](C(C)C)N(C)C)C(C)C"	0	""	""	3	3	"375252"	NA
"654704"	654704	"Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate"	"COC(=O)c1ccccc1NCc2cc(O)ccc2O"	0	""	""	2	2	"375253"	NA
"654705"	654705	"ag 957"	"COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	3	3	"2064"	"140674766"
"654710"	654710	"3-amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile"	"Nc1nn(c2ccccc2)c(\C(=C\c3ccc(O)c(O)c3)\C#N)c1C#N"	0	""	""	1	1	"135499353"	NA
"654726"	654726	"Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate"	"CC#[N+][Mo+2]123(O=C(C)[O-][Mo+2]14(O=C(C)[O-]2)([N+]#CC)[n+]5cccc6ccc7ccc[n+]4c7c56)[n+]8cccc9ccc%10ccc[n+]3c%10c89.[F-][B+3]([F-])([F-])[F-]"	0	""	""	1	1	"11979917"	NA
"654733"	654733	"2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide"	"CCN(CC)CCCNC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl"	0	""	""	1	1	"375259"	NA
"654785"	654785	"2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	"CC(=O)Nc1ccc(cc1)c2oc(SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])nn2"	0	""	""	1	1	"375268"	NA
"654813"	654813	"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	"[O-][N+](=O)c1ccc(NC(=O)CSc2oc(nn2)c3ccc(cc3)\N=C/c4ccc(Cl)cc4)cc1"	0	""	""	1	1	"375296"	NA
"654820"	654820	"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide"	"COc1ccc(NC(=O)CSc2oc(nn2)c3ccc(cc3)\N=C/c4ccc(Cl)cc4)cc1"	0	""	""	2	1	"375303"	NA
"654828"	654828	"Cambridge id 5133154"	"O=C1C2C(C3c4ccccc4C2c5ccccc35)C(=O)c6ccccc16"	0	""	""	1	1	"375311"	NA
"654830"	654830	"antineoplastic-d654830"	"CCC(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CC(=C)C(=O)O)C(=O)O"	0	""	""	3	2	"375312"	NA
"654893"	654893	""	"C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)C56OC5CC(=C)C6=O"	0	NA	NA	3	3	"506470"	NA
"654894"	654894	"[(8R,13S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate"	"C[C@]12CCC3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)C1CC[C@@H]2OC(=O)C67OC6CCC7=O"	0	""	""	2	2	"5459229"	NA
"654895"	654895	""	"CC1=N\C(=C\c2ccc(N)cc2)\C(=O)N1Nc3nnc(NN4C(=N\C(=C\c5ccc(N)cc5)\C4=O)C)c6ccccc36"	0	NA	NA	1	1	"506472"	NA
"654902"	654902	"1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine"	"CN(C)CCn1c(N)c(c2nc3ccccc3nc12)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"375328"	NA
"654949"	654949	"N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine"	"C1CCC(C1)Nc2nc3ccccc3c4[nH]c(nc24)C5CCCC5"	0	""	""	2	2	"5465569"	NA
"654968"	654968	"2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-"	"CC1CSC(=S)N1C(=O)N2C(C)CSC2=S"	0	""	""	5	1	"375344"	NA
"654971"	654971	"8-Methoxycirsilineol"	"COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	"181092"	NA
"654983"	654983	"2-(3-Methoxyphenyl)quinolin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3ccccc3N2"	0	""	""	2	2	"375359"	NA
"654987"	654987	"2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one"	"COc1cc2NC(=CC(=O)c2cc1OC)c3cccc(c3)N(C)C"	0	""	""	2	2	"375363"	NA
"655035"	655035	"N-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2nnc(NC(=O)C)s2"	0	""	""	1	1	"375369"	NA
"655044"	655044	"N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)\S(=N/S(=O)(=O)c2ccc(C)cc2)\Cc3ccccc3"	0	""	""	1	1	"6101991"	NA
"655058"	655058	"4'-nitrobenzenesulfenylanilide"	"[O-][N+](=O)c1ccc(NSc2ccccc2)cc1"	0	""	""	1	1	"375386"	NA
"655072"	655072	"Dimethyl 2,2'-(pyridine-2,6-diyldicarbonyl)bis(1-methylhydrazinecarbodithioate)"	"CSC(=S)N(C)NC(=O)c1cccc(n1)C(=O)NN(C)C(=S)SC"	0	""	""	1	1	"375401"	NA
"655077"	655077	"(4R)-4-[(1S)-3,3-diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione"	"CCOC(C[C@H](O)[C@H]1COC(=S)S1)OCC"	0	""	""	1	1	"6712076"	NA
"655092"	655092	""	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)OCc2ccccc2"	0	NA	NA	1	1	"506566"	NA
"655094"	655094	"Benzyl 3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoate"	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OCc2ccccc2"	0	""	""	1	1	"375408"	NA
"655105"	655105	"cycloshikonin"	"CC1(C)CC[C@@H](O1)c2cc(O)c3C(=O)C=CC(=O)c3c2O"	0	""	""	4	3	"375418"	NA
"655144"	655144	""	"Cc1ccc(\C=N/NC2c3cc(Cl)ccc3Nc4nc(O)nc(C)c24)cc1"	0	NA	NA	1	1	"506585"	NA
"655161"	655161	"1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione"	"CCN1C(=O)N(C)C(O)C2=C1N=C3C=CC=CN3C2=O"	0	""	""	1	1	"375438"	NA
"655166"	655166	"STK839136"	"S1C(=NN(c2ccccc2)C13SC(c4ccccc4)(c5ccccc5)c6ccccc36)c7ccccc7"	0	""	""	1	1	"375443"	NA
"655183"	655183	"3,5-Dibromo-2-[5-(2,4-dibromo-6-carboxyphenoxy)-3-(2,4-dibromo-6-carboxyphenoxy)carbonyl-5-oxopentanoyl]oxybenzoic acid"	"OC(=O)c1cc(Br)cc(Br)c1OC(=O)CC(CC(=O)Oc2c(Br)cc(Br)cc2C(=O)O)C(=O)Oc3c(Br)cc(Br)cc3C(=O)O"	0	""	""	1	1	"375451"	NA
"655247"	655247	"isoquinoline-3-carboxylic acid, 7,8-dihydroxy-, methyl e..."	"COC(=O)c1cc2ccc(O)c(O)c2cn1"	0	""	""	3	1	"135499358"	NA
"655249"	655249	"3-isoquinolinecarboxylic acid, 7,8-bis(acetyloxy)-, meth..."	"COC(=O)c1cc2ccc(OC(=O)C)c(OC(=O)C)c2cn1"	0	""	""	3	1	"375465"	"142822864"
"655266"	655266	"1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one"	"C=CC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1"	0	""	""	2	1	"375484"	NA
"655275"	655275	""	"C1CC\C=C/2\CC[C@H](Sc3ccccc3)C2C4(CC1)OCCO4"	0	NA	NA	1	1	"506649"	NA
"655276"	655276	""	"O=C1CCCCC\C=C/2\CC[C@H](Sc3ccccc3)[C@@H]12"	0	NA	NA	1	1	"506650"	NA
"655305"	655305	"9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one"	"CC1(OCCO1)c2cccc(c2)C3CCC4(OCCO4)C=CC3=O"	0	""	""	2	2	"375526"	NA
"655310"	655310	"17'-Methoxyspiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13(18),14,16-triene]-1'-ol"	"COc1cccc2C3CCCCCCCCCC4(OCCCO4)C3(O)c12"	0	""	""	2	2	"375531"	NA
"655319"	655319	"Spiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol"	"OC12C(CCCCCCCCCC13OCCCO3)c4ccccc24"	0	""	""	1	1	"375540"	NA
"655331"	655331	""	"CC1\C=C\C=C/C=C\C(=O)NC2=C(N)C(=O)c3c(cc(C)c(O)c3C(=O)\C(=C\C(C)C(O)C(C)\C=C\C(O)C\C=C(/C)\C(=O)CC1O)\C)C2=O"	0	NA	NA	1	1	"506696"	NA
"655345"	655345	""	"COc1ccc(\C=C/2\S\C(=N/c3ccccc3)\N(NC(=O)Cc4ccccc4)C2=O)c(OC)c1"	0	NA	NA	1	1	"506710"	NA
"655347"	655347	"3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)N2C(SCC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"375559"	NA
"655348"	655348	"2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccccc1N2C(SCC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"375560"	NA
"655353"	655353	"3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	"Clc1ccc(N2C(SCC2=O)c3c[nH]c4ccccc34)c(Cl)c1"	0	""	""	1	1	"375565"	NA
"655358"	655358	"S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine"	"CC1(CC(=O)NC1=O)SCC(N)C(=O)O"	0	""	""	1	1	"375571"	NA
"655360"	655360	"3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one"	"OC1COC2(O)C1OC(=O)C2(O)C(C[N+](=O)[O-])c3ccc(Cl)cc3"	0	""	""	5	2	"375573"	NA
"655365"	655365	""	"CN(C(CC=C)P(=O)(Oc1ccccc1)Oc2ccccc2)C(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4"	0	NA	NA	1	1	"506728"	NA
"655393"	655393	""	"O=C1N(\C(=C(\C#N)/c2nc3ccccc3[nH]2)\S/C/1=C/c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"506730"	NA
"655394"	655394	""	"COc1ccc(\C=C/2\S\C(=C(/C#N)\c3nc4ccccc4[nH]3)\N(C2=O)c5ccccc5)cc1"	0	NA	NA	2	2	"506731"	NA
"655400"	655400	"7-Chloro-5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	"CCN(CC)CC1CCCCN1CC(=O)N2C(C)CC(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	"375586"	NA
"655402"	655402	"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene"	"COc1ccc(\C=C(/Cl)\c2ccc(OC)cc2)cc1"	0	""	""	1	1	"5467547"	NA
"655403"	655403	""	"COc1ccc(\C=C(/Cl)\c2ccc(OC)c(OC)c2)cc1OC"	0	NA	NA	3	1	"506739"	NA
"655419"	655419	"4-amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione"	"COc1ccccc1N2C(=C3C(=C(NC3=NC2=S)c4ccccc4)C)N"	0	""	""	1	1	"3004447"	NA
"655428"	655428	"Ethyl 2-[2-(2-benzamidoethyl)-5-chloro-thiazol-4-yl]thiazole-4-carboxylate"	"CCOC(=O)c1csc(n1)c2nc(CCNC(=O)c3ccccc3)sc2Cl"	0	""	""	1	1	"375606"	NA
"655438"	655438	"Benzyl 2-(dibenzylamino)-3-phenylpropanoate"	"O=C(OCc1ccccc1)C(Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	""	""	1	1	"375616"	NA
"655440"	655440	"1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione"	"COc1cc(OC)cc(c1)C(=O)CC(=O)c2cc(OC)cc(OC)c2"	0	""	""	1	1	"375618"	NA
"655444"	655444	"2,3,10,11-Tetramethoxy-8-methylisoquino[3,2-a]isoquinolinium-13-olate"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4c(O)c3c2cc1OC"	0	""	""	1	1	"375621"	NA
"655458"	655458	"3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium"	"Cc1cc2c(ccc[n+]2[O-])[n+]([O-])c1"	0	""	""	1	1	"375636"	NA
"655501"	655501	"5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one"	"Clc1ccc(cc1)C23CCC(=O)N2c4cnccc4N3"	0	""	""	1	1	"375660"	NA
"655502"	655502	"5a-Methyl-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one"	"CC12CCC(=O)N1c3cncnc3N2"	0	""	""	1	1	"375661"	NA
"655503"	655503	"5a-(4-Chlorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one"	"Clc1ccc(cc1)C23CCC(=O)N2c4cncnc4N3"	0	""	""	1	1	"375662"	NA
"655509"	655509	"4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester"	"CO\C(=N/N=C/c1cccc(c1)C(F)(F)F)\c2ccncc2"	0	""	""	2	1	"9555922"	NA
"655524"	655524	"(+)-.alpha.-viniferin"	"Oc1ccc(cc1)C2Oc3cc(O)cc4C5C(Oc6cc(O)cc(C7C(Oc8cc(O)cc(C2c34)c78)c9ccc(O)cc9)c56)c%10ccc(O)cc%10"	0	""	""	1	1	"375682"	NA
"655525"	655525	"[7-(3,5-dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]-(4-hydroxyphenyl)methanone"	"Oc1ccc(cc1)C2Oc3cc(O)c(cc3C2c4cc(O)cc(O)c4)C5C(Oc6cc(O)c7C(C(C(C(=O)c8ccc(O)cc8)c7c56)c9cc(O)cc(O)c9)c%10ccc(O)cc%10)c%11ccc(O)cc%11"	0	""	""	1	1	"16129877"	NA
"655527"	655527	"dianilino(imino)[?]thione"	"NC1=NC2=C3N=C(Nc4ccccc4)SC3=NC(=S)N2c5sc(Nc6ccccc6)nc15"	0	""	""	1	1	"3004448"	NA
"655617"	655617	".beta.-cyclohexanoblastine"	"CC[C@@]12C=CCN3CCC4([C@H]13)C(N(C)c5cc(OC)c(cc45)[C@]6(CC7CN(CCc8c6[nH]c9ccccc89)CC%10CCCCC7%10)C(=O)OC)[C@@](O)(C2OC(=O)C)C(=O)OC"	0	""	""	2	2	"11970034"	NA
"655619"	655619	"(3S,4S)-3-acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	"CCOC1OC(=O)[C@@](C)([C@@H]1C)C(=O)C"	0	""	""	1	1	"6712082"	NA
"655620"	655620	"(3R,4S,5R)-3-acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	"CCO[C@@H]1OC(=O)[C@](C)([C@@H]1C)C(=O)C"	0	""	""	1	1	"6712083"	NA
"655649"	655649	"Becatecarin"	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4cccc(Cl)c4n(C5OC(CO)C(OC)C(O)C5O)c3c6[nH]c7c(Cl)cccc7c26"	0	NA	NA	2	2	"506875"	"119673084"
"655737"	655737	"Epoxy-chiromodine"	"COC(=O)C1CCC2(C)[C@H](CCC3O[C@@]23C)[C@@]1(C)CC(=O)c4cocc4"	0	""	""	1	1	"6712084"	NA
"655739"	655739	"[2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide"	"CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[n+]1cccc2ccccc12)COC"	0	""	""	2	2	"375730"	NA
"655748"	655748	""	NA	0	NA	NA	1	1	"506891"	NA
"655751"	655751	""	NA	0	NA	NA	2	2	"506894"	NA
"655754"	655754	""	NA	0	NA	NA	1	1	"506897"	NA
"655757"	655757	""	NA	0	NA	NA	1	1	"506900"	NA
"655759"	655759	""	NA	0	NA	NA	1	1	"506902"	NA
"655762"	655762	"4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	"Oc1c2c(nn1c3ccc(F)cc3)c4ccccc4c[n+]2Cc5ccccc5"	0	""	""	1	1	"375738"	NA
"655765"	655765	"(4bR,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride"	"CCN(CC)CCN1C(=O)CC2[C@@H]3CCc4cc(OC)ccc4C3CC[C@]2(C)C1=O"	0	""	""	1	1	"375742"	NA
"655896"	655896	"11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	1	1	"375749"	NA
"655897"	655897	"11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccccn5)c23"	0	""	""	1	1	"375750"	NA
"655899"	655899	"11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3ccc4C(=O)C=C(C(=O)c4c13)c5ccccc5"	0	""	""	1	1	"375752"	NA
"655900"	655900	"2-((2-(Diphenylphosphino)ethyl)(phenyl)phosphino)ethyl phenyl sulfide"	"C(CP(CCP(c1ccccc1)c2ccccc2)c3ccccc3)Sc4ccccc4"	0	""	""	2	2	"375753"	NA
"655901"	655901	"antineoplastic-655901"	"CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC"	0	""	""	2	2	"375754"	NA
"655905"	655905	"Antineoplastic-655905"	"CCCCCCCCCCCC(=O)OC[C@@H](C[As](=O)(O)O)OC(=O)CCCCCCCCCCC"	0	NA	NA	2	1	"506922"	NA
"655906"	655906	"Antineoplastic-655906"	"CCCCCCCC(=O)OC[C@@H](C[As](=O)(O)O)OC(=O)CCCCCCC"	0	NA	NA	1	1	"506923"	NA
"655909"	655909	"1-methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea"	"CN(C(=S)NNC(=S)N\N=C(/C)\c1ccccn1)c2ccccc2"	0	""	""	2	2	"9571796"	NA
"655911"	655911	"2,3-Dimethoxy-6,8-bis(methylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione"	"COC1=C(OC)C(=O)C2=C(C=C(SC)C(=O)C(=C2)SC)C1=O"	0	""	""	1	1	"375762"	NA
"655922"	655922	""	"CSC1CC2C(CC1(C)O)C2(C)C"	0	NA	NA	1	1	"506936"	NA
"655928"	655928	""	"CC1(O)CC2C(CC1SCc3ccccc3)C2(C)C"	0	NA	NA	1	1	"506942"	NA
"655933"	655933	""	"CC(=CCSC1CC2C(CC1(C)O)C2(C)C)C"	0	NA	NA	1	1	"506947"	NA
"655978"	655978	"[(3R,13S)-13-acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate"	"C\C=C(/C)\C(=O)OC1C2[C@H](OC(=O)C)C(OC(=O)C2=C)C(C)C3C=CC(=O)[C@@]13C"	0	""	""	2	2	"5459235"	NA
"656075"	656075	"3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione"	"Oc1cccc2C(=O)C(=C(Cl)C(=O)c12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"375827"	NA
"656076"	656076	"2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione"	"Oc1cccc2C(=O)C(=C(C(=O)c12)c3ccc(cc3)[N+](=O)[O-])Cl"	0	""	""	2	1	"375828"	NA
"656080"	656080	"Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate"	"COC(=O)C1C(C(=C(C)N2CCCOC12C)C(=O)OC)c3cccc(Cl)c3"	0	""	""	1	1	"375832"	NA
"656082"	656082	"(E)-N-ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide"	"CCNC(=O)\C=C\CCC#Cc1ccc(s1)c2ccc(s2)c3cccs3"	0	""	""	1	1	"5467584"	NA
"656084"	656084	"4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione"	"C\N=C/1\SSC(=S)N1C(C)C"	0	""	""	1	1	"375836"	NA
"656105"	656105	""	"CC(=O)[O-].[O-][N+](=O)c1ccc2[O-][Mn+3]34[O-]c5ccc(cc5C=[N+]3CC[N+]4=Cc2c1)[N+](=O)[O-]"	0	NA	NA	1	1	"507024"	NA
"656155"	656155	"6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Nc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"375857"	NA
"656156"	656156	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-[(3-methylamino)..."	"CNc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	"375858"	"158598584"
"656157"	656157	"6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Oc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	"375859"	NA
"656158"	656158	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-(2-fluorophenyl)-"	"Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	"375860"	NA
"656159"	656159	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-(3-fluorophenyl)..."	"Fc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	4	3	"375861"	"158598608"
"656160"	656160	"6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Clc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	"375862"	NA
"656162"	656162	"6-(Pyridin-3-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccnc4"	0	""	""	2	2	"375864"	NA
"656163"	656163	"7W-0843"	"Oc1cc(O)c2C(=O)c3ccccc3Nc2c1"	0	""	""	1	1	"5467589"	NA
"656177"	656177	"7-epi-10-deacetyltaxol"	"CC(=O)O[C@@]12CO[C@@H]1CC(O)[C@]3(C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	""	""	2	2	"6712095"	NA
"656178"	656178	"7-Epi-10-deacetylbaccatin III"	"CC(=O)O[C@@]12CO[C@@H]1CC(O)[C@]3(C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(O)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB"	""	2	2	"6712096"	NA
"656189"	656189	"2-N-[(4-Chloro-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine"	"CN(C)c1nc(nc(n1)N(C)CN(C)c2ccc(Cl)cc2)N(C)C"	0	""	""	1	1	"375874"	NA
"656190"	656190	"N',N'-dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	"CN(C)CCCNc1ccnc2c(cccc12)[N+](=O)[O-]"	0	""	""	1	1	"375875"	NA
"656202"	656202	"Breflate"	"C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@H](O)\C=C\C(=O)O1)OC(=O)CN(C)C"	0	NA	NA	4	3	"507058"	"174305658"
"656203"	656203	"discorhabdin b"	"BrC1=C[C@@]23C[C@@H](NC4=C2C5=NCCc6c[nH]c(C4=O)c56)SC3=CC1=O"	0	""	""	2	2	"135409044"	NA
"656204"	656204	"discorhabdin g"	"O=C1C=C[C@@]23C[C@@H](NC4=C2C5=NCCc6c[nH]c(C4=O)c56)SC3=C1"	0	""	""	2	1	"135409045"	NA
"656205"	656205	"discorhabdin h"	"[Cl-].Cn1cnc(SC2=C3C(=O)C=C4S[C@H]5C[C@@]24C6=C(N5)C(=O)c7[nH]cc8CC[N+]3=C6c78)c1CC(N)C(=O)O"	0	""	""	1	1	"135499366"	NA
"656206"	656206	"discorhabdin i"	"Cn1cnc(SC2=CC(=O)C=C3S[C@H]4C[C@@]23C5=C(N4)C(=O)c6[nH]cc7CCN=C5c67)c1CC(N)C(=O)O"	0	""	""	2	2	"135409047"	NA
"656207"	656207	"1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-"	"COc1c(Cl)c(Cl)c(OC)c2C(=O)C=CC(=O)c12"	0	""	""	1	1	"375894"	NA
"656208"	656208	"STL323102"	"COc1ccc(OC)c2C(=O)C(=C(Cl)C(=O)c12)Cl"	0	""	""	2	2	"375895"	NA
"656209"	656209	"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	"375896"	NA
"656210"	656210	"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"375898"	NA
"656211"	656211	"2',6'-dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione"	"COCc1cc2C(=O)C3=C(NCCC34C=C(Br)C(=O)C(=C4)Br)C(=O)c2s1"	0	""	""	2	2	"375900"	NA
"656238"	656238	"2-methyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-d..."	"Cc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	"375901"	NA
"656239"	656239	"benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-"	"O=Cc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	"375902"	"239100028"
"656240"	656240	"2-hydroxymethyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophen..."	"OCc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	"375903"	"239100039"
"656241"	656241	"acetic acid, (4,8-dioxobenzo[1,2-b:5,4-b']dithiophene- 2..."	"CC(=O)OCc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	"375904"	NA
"656242"	656242	"2-(Chloromethyl)benzo[1,2-b:4,5-b']bisthiophene-4,8-dione"	"ClCc1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	"375905"	NA
"656243"	656243	"benzo[1,2-b:5,4-b']dithiophene-2-carboxylic acid, 4,8-di..."	"OC(=O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	"375906"	NA
"656244"	656244	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 3-methyl-"	"Cc1csc2C(=O)c3sccc3C(=O)c12"	0	""	""	2	2	"375907"	NA
"656245"	656245	"5,7-Difluoro-2-phenylquinolin-4-ol"	"Fc1cc(F)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	"375908"	NA
"656249"	656249	""	"O=C1Nc2ccccc2C(=C1)c3ccccc3"	0	NA	NA	1	1	"507079"	NA
"656250"	656250	"5,7-Dichloro-2-phenylquinolin-4-ol"	"Clc1cc(Cl)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	"375913"	NA
"656253"	656253	""	"CSC1=NC(=C(Br)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C"	0	NA	NA	2	1	"507083"	NA
"656254"	656254	""	"COc1ccc(cc1)C2=C(C#N)C(=O)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=N2)SC"	0	NA	NA	1	1	"507084"	NA
"656256"	656256	""	"CSC1=NC(=C(C#N)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(Cl)cc3"	0	NA	NA	1	1	"507086"	NA
"656260"	656260	""	"CCCSC1=NC(=C(C#N)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(OC)cc3"	0	NA	NA	1	1	"507090"	NA
"656261"	656261	"[4,5-Diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]oxan-3-yl] acetate"	"CCSC1=NC(=C(C#N)C(=O)N1C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(OC)cc3"	0	""	""	1	1	"375923"	NA
"656278"	656278	""	"CCN1CCC(O)(\C=C\c2ccc(Cl)cc2)C(C1)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	"507099"	NA
"656280"	656280	"2-naphthalenemethanaminium, 1,2,3,4-tetrahydro-n,n,n-tri..."	"[I-].C[N+](C)(C)CC1CCc2ccccc2C1=O"	0	""	""	3	3	"375929"	"71666518"
"656284"	656284	""	"[Cl-].O=C1CCCCC1CN2CCCC2"	0	NA	NA	1	1	"507105"	NA
"656320"	656320	"(6-Methoxydioxan-3-yl)methanol"	"COC1CCC(CO)OO1"	0	""	""	1	1	"375966"	NA
"656324"	656324	"4-(dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide"	"CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(=O)N(C)C)[N+](=O)[O-]"	0	""	""	1	1	"375967"	NA
"656340"	656340	"2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine"	"Cc1cccc(c1)c2nc(c3cnccn3)n(Cc4ccccc4)n2"	0	""	""	1	1	"375974"	NA
"656405"	656405	""	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CC1C5C3C(=O)N(C5=O)c6cccc(c6)N7C(=O)C8C9CC%10C%11(C)CCCC(C)(C%11CCC%10(C=C9C(C)C)C8C7=O)C(=O)O"	0	NA	NA	1	1	"507190"	NA
"656433"	656433	"pyrimidine-5-carboxylic acid, hexahydro-4-oxo- 1,3-diphe..."	"CCOC(=O)C1=C(SCCN2CCCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	"376034"	NA
"656442"	656442	"4-chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide"	"CN(C(=S)N1CCN(C)CC1)C(=O)c2ccc(Cl)cc2"	0	""	""	1	1	"376043"	NA
"656454"	656454	"4-chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide"	"Clc1ccc(cc1)C(=O)N(C2CCCCC2)C(=S)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	"376055"	NA
"656576"	656576	"Midostaurin"	"CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	"PK:PRKCA,STK,FLT3"	"FDA approved"	6	4	"24202429"	"120685112"
"656591"	656591	"BRD-A17388120-001-07-7"	"O=C1NC2(Oc3ccc4ccccc4c3C=C2)Oc5ccccc15"	0	""	""	1	1	"376106"	NA
"656598"	656598	"sf2575"	"CO[C@]1(C)C2CC3[C@@H](CC(=O)c4ccccc4O)C(=C(C(=O)N)C(=O)C3(OC)C(=C2C(=O)c5c(O)c(ccc15)C6C[C@@H](O)[C@H](OC(=O)\C(=C/C)\C)[C@@H](C)O6)O)O"	0	NA	NA	2	2	"507268"	NA
"656599"	656599	"6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCNCC3"	0	""	""	2	2	"376115"	NA
"656670"	656670	"1-(4-Bromophenyl)-3-(3-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide"	"[O-][N+](=O)c1cccc(c1)C2=NN(C[N+](=N2)c3ccc(Br)cc3)c4ccccc4"	0	""	""	1	1	"376153"	NA
"656671"	656671	"1-(4-Methoxyphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide"	"COc1ccc(cc1)[N+]2=NC(=NN(C2)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"376155"	NA
"656677"	656677	"2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate"	"COc1ccc(cc1)[N+]2=NC(=NN(C2)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"24202432"	NA
"656709"	656709	""	"COc1ccc(cc1)[C@@H]2CC(=O)NCCCCNCCCN2"	0	NA	NA	1	1	"507321"	NA
"656712"	656712	"4-(10-methyl-10h-indolo[3,2-b]quinolin-11-yl)amino-2,6-b..."	"CCN(CC)Cc1cc(Nc2c3ccccc3nc4c5ccccc5n(C)c24)cc(CN(CC)CC)c1O"	0	NA	NA	2	1	"507324"	"98244781"
"656714"	656714	"tubacetine"	"CC(=O)OC(CCC1(C)OC1COc2ccc(CCNC(=O)c3ccccc3)cc2)C(C)(C)OC(=O)C"	0	""	""	1	1	"376181"	NA
"656715"	656715	"Tubasenecine"	"CC(=CC(=O)NCCc1ccc(OCC2OC2(C)CCC(OC(=O)C)C(C)(C)OC(=O)C)cc1)C"	0	""	""	2	2	"376182"	NA
"656731"	656731	""	"C[C@H](C(O)c1ccccc1)C(=O)N2[C@@H]([C@H](N(C(=O)C(C)[C@@H](O)c3ccccc3)C2=O)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"507340"	NA
"656739"	656739	"N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide"	"CCN(CC)C(=O)CCN1C=C(F)C(=O)NC1=O"	0	""	""	1	1	"376202"	NA
"656741"	656741	"3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide"	"CN(CCN(C)C(=O)CCN1C=C(F)C(=O)NC1=O)C(=O)CCN2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"376204"	NA
"656777"	656777	""	"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[n+]1ccc(cc1)N(C)C)OCC"	0	NA	NA	1	1	"581861"	NA
"656781"	656781	""	"COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc2ccccc2OC"	0	NA	NA	1	1	"507357"	NA
"656889"	656889	"XK-469"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	"TOP2"	"Clinical trial"	4	1	"-1"	"157434996"
"656901"	656901	"methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(O)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](OC(=O)\C=C(\c6ccccc6)/C(F)(F)F)[C@@H]24"	0	""	""	1	1	"5467619"	NA
"656902"	656902	"methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(OC(=O)\C=C(\c6ccccc6)/C(F)(F)F)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](O)[C@@H]24"	0	""	""	1	1	"5467620"	NA
"656903"	656903	"methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(OC(=O)CC(C)C(F)(F)F)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](O)[C@@H]24"	0	""	""	1	1	"376223"	NA
"656904"	656904	"Antineoplastic-656904"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(O)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](OC(=O)CC(C)C(F)(F)F)[C@@H]24"	0	""	""	1	1	"376224"	NA
"656923"	656923	"(1R,10S,14R)-7-(4-fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one"	"C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1Cc5ncn(c5N2)c6ccc(F)cc6"	0	""	""	1	1	"376240"	NA
"656925"	656925	"(2R,13R,17S,18S)-7-(4-fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol"	"C[C@]12CCC3[C@@H](CCC4Nc5c(C[C@]34C)cnn5c6ccc(F)cc6)C1CC[C@@H]2O"	0	""	""	1	1	"376242"	NA
"656928"	656928	"(1R,9S,13R,16S)-6-(4-fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3C2CC[C@@]4(C)C3Cc5nn(nc45)c6ccc(F)cc6"	0	""	""	1	1	"376245"	NA
"656929"	656929	"(1R,10S,14R,17S)-7-(4-fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol"	"C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1Cc5cnn(c5N2)c6ccc(F)cc6"	0	""	""	2	2	"376246"	NA
"657002"	657002	"STK766740"	"CCOc1ccc(cc1OCC)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	2	2	"376288"	NA
"657004"	657004	"4'-Chloroaurone"	"Clc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1"	0	""	""	1	1	"5467625"	NA
"657017"	657017	"9-Tert-butyl-4-(4-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	"376302"	NA
"657023"	657023	"9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(cc56)[N+](=O)[O-])C3C2=O)C(C)(C)C"	0	""	""	1	1	"376308"	NA
"657025"	657025	""	"COc1ccc(cc1)N2C(=O)CC(C2=O)c3c[nH]c4ncccc34"	0	NA	NA	2	1	"507460"	NA
"657026"	657026	"11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(Cc5ccccc5)c23"	0	""	""	2	2	"376312"	NA
"657028"	657028	"11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione"	"[O-][N+](=O)c1cccc(Cn2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24)c1"	0	""	""	2	1	"376314"	NA
"657030"	657030	"9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2cc(Cl)ccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	2	2	"376316"	NA
"657137"	657137	"(Z)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene"	"CC(C)(Br)C(Br)CC\C(=C/CBr)\CBr.CC(C)(Br)C(Br)CC\C(=C\CBr)\CBr"	0	""	""	2	2	"5467633"	NA
"657149"	657149	"2-Acetyl-1,2-dihydroellipticine"	"CC(=O)N1Cc2c(C)c3c4ccccc4[nH]c3c(C)c2C=C1"	0	""	""	1	1	"376328"	NA
"657174"	657174	"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione"	"OCC1OC(CC1O)N2C=C(C#CC(=O)c3ccccc3)C(=O)NC2=O"	0	""	""	1	1	"376342"	NA
"657179"	657179	"STL374141"	"Cc1ccc(cc1)c2nc3cc(Cl)ccc3[nH]2"	0	""	""	1	1	"376347"	NA
"657187"	657187	"2-phenylperimidine"	"N1C(=Nc2cccc3cccc1c23)c4ccccc4"	0	""	""	2	2	"376354"	NA
"657192"	657192	"STK688478"	"Clc1ccc(cc1)\N=C/2\N(Cc3ccccc23)c4ccc(Cl)cc4"	0	""	""	1	1	"376360"	NA
"657194"	657194	"(E)-N,2-Dipyridin-2-yl-3H-isoindol-1-imine"	"C1N(\C(=N\c2ccccn2)\c3ccccc13)c4ccccn4"	0	""	""	1	1	"9571798"	NA
"657195"	657195	"CBMicro_029986"	"CCOC(=O)C1=C(C)NC(=C(C1c2ccc(C)cc2)C(=O)OCC)C"	0	""	""	1	1	"376363"	NA
"657196"	657196	"Di-tert-butyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC1=C(C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C"	0	""	""	1	1	"376364"	NA
"657270"	657270	"(+/-) ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-c..."	"CCOC(=O)[C@@H]1C[C@H]1c2ccc(O)c(O)c2"	0	""	""	1	1	"6712121"	NA
"657271"	657271	"(+/-) ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-car..."	"CCOC(=O)[C@@H]1C[C@@H]1c2ccc(O)c(O)c2"	0	""	""	1	1	"6712122"	NA
"657274"	657274	"1,3-dioxolo[4,5-g]quinolin-8-one, 6-[3-(trifluoromethyl)..."	"FC(F)(F)c1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"376372"	NA
"657276"	657276	"6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)\C=C\c4ccccc4"	0	""	""	1	1	"5934142"	NA
"657277"	657277	"6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one"	"CC(=O)Nc1ccc2NC(=CC(=O)c2c1)c3cccc(F)c3"	0	""	""	2	2	"376375"	NA
"657278"	657278	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-(2-chlorophenyl)-"	"Clc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	"376376"	NA
"657279"	657279	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-[3-(phenylmethox..."	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccc(OCc5ccccc5)c4"	0	""	""	3	2	"376377"	NA
"657282"	657282	""	"CC(CC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)C3CCC4[C@@H]5C(CC6CC(CC[C@]6(C)C5CC(OC(=O)C)[C@]34C)OC(=O)C)OC(=O)C"	0	NA	NA	1	1	"507532"	NA
"657297"	657297	"1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride"	"CCN(CC)CCC(=O)c1ccc(C)cc1"	0	""	""	1	1	"376382"	NA
"657299"	657299	"1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride"	"CCN(CC)CCC(=O)c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	"376386"	NA
"657303"	657303	"3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide"	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	"376393"	NA
"657304"	657304	"Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride"	"CCN1CCC(O)(C(C1)C(=O)c2ccc(O)cc2)c3ccc(O)cc3"	0	""	""	1	1	"376395"	NA
"657305"	657305	""	"O=C1CCCCCCCCCCC1CN(Cc2ccccc2)Cc3ccccc3"	0	NA	NA	1	1	"507542"	NA
"657306"	657306	""	"O=C1CCCCCCCCCCC1CN2CCOCC2"	0	NA	NA	1	1	"507543"	NA
"657321"	657321	"vermiculin"	"CC(=O)CC1CCC(=O)\C=C\C(=O)OC(CC(=O)C)CCC(=O)\C=C\C(=O)O1"	0	NA	NA	2	2	"507552"	"37244001"
"657323"	657323	"7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid"	"CC(=O)CC(CCC(=O)\C=C\C(=O)O)OC(=O)\C=C\C(=O)CC\C=C\C(=O)C"	0	""	""	1	1	"5459240"	NA
"657324"	657324	"Narceine imide"	"COc1ccc2\C(=C\c3c(CCN(C)C)cc4OCOc4c3OC)\NC(=O)c2c1OC"	0	""	""	1	1	"5459241"	NA
"657329"	657329	"STK001667"	"O=C(Cc1ccccc1)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	"376415"	NA
"657336"	657336	"3-nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide"	"[O-][N+](=O)c1cccc(c1)C(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	"376422"	NA
"657339"	657339	"4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide"	"CC1=Nc2ccccc2C(=O)N1NC(=O)c3ccc(CS)cc3"	0	""	""	1	1	"376425"	NA
"657340"	657340	"N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide"	"SCc1ccc(cc1)C(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	"376426"	NA
"657345"	657345	"2-(3-chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide"	"Clc1cccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)c1"	0	""	""	1	1	"376431"	NA
"657348"	657348	"2-(3-nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide"	"[O-][N+](=O)c1cccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)c1"	0	""	""	1	1	"376434"	NA
"657349"	657349	"2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide"	"[O-][N+](=O)c1ccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)cc1"	0	""	""	2	2	"376435"	NA
"657363"	657363	"3-[(4Z)-4-[(3-chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	"Clc1cccc(\C=C\2/N=C(N(N3C(=O)c4ccccc4N=C3c5ccccc5)C2=O)c6ccccc6)c1"	0	""	""	1	1	"6296347"	NA
"657366"	657366	"3-[(4Z)-4-[(3-hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	"Oc1cccc(\C=C\2/N=C(N(N3C(=O)c4ccccc4N=C3c5ccccc5)C2=O)c6ccccc6)c1"	0	""	""	1	1	"5916453"	NA
"657427"	657427	""	"CC(=O)C1C(=O)N(C(=O)C1=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	"507620"	NA
"657430"	657430	""	"CN1\C(=N\C(=O)C)\NC(=O)/C/1=C/c2ccc(Cl)cc2Cl"	0	NA	NA	1	1	"507623"	NA
"657437"	657437	""	"CC(=O)NNC(=S)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	NA	NA	1	1	"507630"	NA
"657443"	657443	""	"CCOC(=O)Cc1csc2S\C(=C\c3cccc(Cl)c3Cl)\C(=O)[n+]12"	0	NA	NA	1	1	"507636"	NA
"657445"	657445	"thiazolo[2,3-b]thiazolium, 2-[(2,4-dichlorophenyl)methyl..."	"[O-][N+](=O)c1cccc(c1)c2csc3S\C(=C\c4ccc(Cl)cc4Cl)\C(=O)[n+]23"	0	NA	NA	2	2	"507638"	NA
"657446"	657446	"thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(2-methoxyphe..."	"COc1ccccc1\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O"	0	NA	NA	2	2	"507639"	NA
"657448"	657448	"N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)Nc3ccccc3"	0	""	""	1	1	"135409056"	NA
"657449"	657449	"NCIMech_000398"	"CC1=CC(=O)\C(=C\NC(=S)N)\C(=O)O1"	0	""	""	1	1	"135409057"	NA
"657455"	657455	"(3Z)-6-methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3cc(C)ccc23)\C(=O)O1"	0	""	""	1	1	"3004473"	NA
"657456"	657456	"NCIMech_000748"	"Brc1ccc(cc1)c2csc(N\N=C\3/C(=O)Nc4ccccc34)n2"	0	""	""	1	1	"376515"	NA
"657492"	657492	""	"[R]P(=O)(OC(C)C)c1ccccc1.CC(C)OP(=O)(c2ccccc2)c3ccc4OCCOCCOc5ccccc5OCCOCCOc4c3"	0	NA	NA	1	1	"581869"	NA
"657501"	657501	"[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-yl] acetate"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Cc5nc6C[C@@]7(C)C(CC[C@@H]8C7C[C@@H](OC(=O)C)[C@@]9(C)C8C[C@@H]%10OC%11(CCC(C)CO%11)C(C)[C@H]9%10)Cc6nc5C[C@]4(C)C3CC[C@]12C"	0	""	""	1	1	"376535"	NA
"657547"	657547	"benzo[1,2-b:4,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-"	"CC(=O)c1csc2C(=O)c3c(csc3C(=O)c12)C(=O)C"	0	""	""	2	2	"376542"	NA
"657548"	657548	"YTSZWYKKYYULHX-UHFFFAOYSA-N"	"CC(OC(=O)C)c1cc2C(=O)c3scc(C(C)OC(=O)C)c3C(=O)c2s1"	0	""	""	1	1	"376543"	NA
"657558"	657558	""	"Oc1ccccc1C2[N+]3=Cc4ccccc4[O-][Zr+4]35678([O-]c9ccccc9C=[N+]5C(c%10ccccc%10O)[N+]6=Cc%11ccccc%11[O-]7)[O-]c%12ccccc%12C=[N+]28"	0	NA	NA	1	1	"507677"	NA
"657560"	657560	"(Z)-3-bromo-3-iodo-2-phenylpropenal"	"Br\C(=C(\C=O)/c1ccccc1)\I"	0	NA	NA	2	2	"507679"	NA
"657561"	657561	"(z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one"	"CC(=O)\C(=C(\Br)/I)\c1ccccc1"	0	NA	NA	2	2	"507680"	NA
"657562"	657562	"2-[(Z)-bromoiodomethylidene] cyclohexanone"	"Br\C(=C\1/CCCCC1=O)\I"	0	NA	NA	2	2	"507681"	NA
"657575"	657575	"1-benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)NCc3ccccc3"	0	""	""	1	1	"135409068"	NA
"657580"	657580	"(3Z)-6-methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3ccc(cc23)[N+](=O)[O-])\C(=O)O1"	0	""	""	2	1	"3001572"	NA
"657582"	657582	"1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	"NS(=O)(=O)c1ccc(NC(=S)N\C=C\2/C(=O)Nc3ccccc3C2=O)cc1"	0	""	""	2	1	"135409072"	NA
"657584"	657584	"N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide"	"O=C1Oc2ccccc2C(=O)/C/1=C\NC(=S)c3ccncc3"	0	""	""	1	1	"135409073"	NA
"657585"	657585	""	"CCOC(=O)Cc1csc2S\C(=C/c3cccc(OC)c3O)\C(=O)[n+]12"	0	NA	NA	1	1	"507702"	NA
"657587"	657587	"STK264905"	"O=C1Nc2ccccc2/C/1=N/Nc3nc(cs3)c4ccccc4"	0	""	""	1	1	"376575"	NA
"657588"	657588	"N~1~-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanedithioamide"	"CC1=CC(=O)\C(=C\NC(=S)C(=S)N)\C(=O)O1"	0	""	""	2	1	"135409075"	NA
"657589"	657589	"1h-indol-2(3h)-one,3-[4-(3,4-dichlorophenyl)-2-thiazolyl..."	"Clc1ccc(cc1Cl)c2csc(N\N=C\3/C(=O)Nc4ccccc34)n2"	0	""	""	1	1	"376577"	NA
"657590"	657590	"5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione"	"Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1c3ccccc3"	0	""	""	2	1	"135409076"	NA
"657592"	657592	"1-butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	"CCCCNC(=S)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	""	""	1	1	"135409078"	NA
"657593"	657593	"4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol"	"Oc1ccc(cc1O)c2csc(N\N=C\3/NC\C(=C\c4ccc5OCOc5c4)\S3)n2"	0	""	""	1	1	"6418506"	NA
"657598"	657598	"thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(4-nitropheny..."	"[O-][N+](=O)c1ccc(\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O)cc1"	0	""	""	2	2	"5351414"	NA
"657604"	657604	"1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	"NS(=O)(=O)c1ccc(NC(=S)N\C=C\2/C(=O)Oc3ccccc3C2=O)cc1"	0	""	""	1	1	"135409083"	NA
"657608"	657608	""	"CC1(C)CC(=O)C(=CNc2nc(cs2)c3cccc(c3)[N+](=O)[O-])C(=O)C1"	0	NA	NA	1	1	"507724"	NA
"657609"	657609	"(3Z)-6-methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3ccccc23)\C(=O)O1"	0	""	""	1	1	"3004499"	NA
"657643"	657643	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide"	"Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(=O)N"	0	""	""	1	1	"376612"	NA
"657645"	657645	"2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(CC(=C(C)N1)C(=O)NCCc2ccccc2)C(=O)NCCc3ccccc3"	0	""	""	1	1	"376614"	NA
"657646"	657646	"1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol"	"O\N=C\1/C(=O)C=C(Nc2cccnc2)c3ccccc13"	0	""	""	1	1	"376615"	NA
"657676"	657676	"[(Z)-[4-(2,4-dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea"	"NC(=S)N\N=C\1/C(=O)C=C(Nc2ccc(Cl)cc2Cl)c3ccccc13"	0	""	""	1	1	"3000994"	NA
"657681"	657681	"1-(hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one"	"Cc1ccc(NC2=CC(=O)C(NO)c3ccccc23)cc1"	0	""	""	1	1	"376651"	NA
"657704"	657704	""	"Oc1ccccc1\C=C\2/NC(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	2	1	"507784"	NA
"657708"	657708	"N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide"	"CN1C\C(=C/c2cc(ccc2O)[N+](=O)[O-])\N/C/1=N\C(=O)C"	0	""	""	1	1	"5467667"	NA
"657710"	657710	"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea"	"CCCCCCCCCCCCCCCCCCNC(=S)N\C=C\1/C(=O)OC(=CC1=O)C"	0	""	""	1	1	"135409093"	NA
"657711"	657711	"1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea"	"O=C1Nc2ccccc2C(=O)/C/1=C/NC(=S)NCCc3ccccc3"	0	""	""	1	1	"135409094"	NA
"657714"	657714	"N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide"	"O=C1C(=CNC(=S)c2ccccc2)C(=O)c3ccccc13"	0	""	""	2	1	"135409096"	NA
"657715"	657715	"(3Z)-6-methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-])\C(=O)O1"	0	""	""	1	1	"135409097"	NA
"657716"	657716	"1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)NCCc3ccccc3"	0	""	""	2	1	"135409098"	NA
"657719"	657719	"thiazolo[2,3-b]thiazolium, 2-[(1,3-benzodioxol-5-yl)meth..."	"Oc1ccc(cc1O)c2csc3S\C(=C/c4ccc5OCOc5c4)\C(=O)[n+]23"	0	NA	NA	2	2	"581879"	NA
"657720"	657720	"thiazolo[2,3-b]thiazolium, 2-[(4-chlorophenyl)methylene]..."	"[O-][N+](=O)c1cccc(c1)c2csc3S\C(=C/c4ccc(Cl)cc4)\C(=O)[n+]23"	0	NA	NA	2	2	"507798"	NA
"657722"	657722	"3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-n-(2,6-dim..."	"Cc1cccc(C)c1NC(=O)C(=O)C(c2ccccc2Cl)S(=O)(=O)Cc3ccccc3Cl"	0	""	""	2	2	"376677"	NA
"657725"	657725	"3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide"	"NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc2ccccc2"	0	""	""	2	1	"376681"	NA
"657727"	657727	"4-[2-(4-hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol"	"COc1cc(ccc1O)c2oc(\C=N\c3ccccc3)c(c2c4ccc(O)c(OC)c4)[N+](=O)[O-]"	0	""	""	2	1	"3580140"	NA
"657729"	657729	""	"O=C1OC(N/C/1=C\c2ccc3OCOc3c2)c4ccccc4"	0	NA	NA	2	1	"507807"	NA
"657735"	657735	"(3E)-3-[chloro(1-naphthyl)methylene]isobenzofuran-1-one"	"Cl\C(=C/1\OC(=O)c2ccccc12)\c3cccc4ccccc34"	0	""	""	1	1	"3004512"	NA
"657751"	657751	"ZX-AT028184"	"Clc1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1"	0	""	""	1	1	"5467680"	NA
"657766"	657766	"1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole"	"Cn1c(cc(c2ccsc2)c1c3cccs3)c4cccs4"	0	""	""	1	1	"376720"	NA
"657767"	657767	"1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole"	"Cn1c(cc(c2ccsc2)c1c3ccsc3)c4cccs4"	0	""	""	1	1	"376721"	NA
"657768"	657768	"2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene"	"c1csc(c1)c2cc(c3ccsc3)c(s2)c4cccs4"	0	""	""	1	1	"376722"	NA
"657769"	657769	"5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene"	"c1csc(c1)c2cc(c3ccsc3)c(s2)c4ccsc4"	0	""	""	1	1	"376723"	NA
"657770"	657770	"2,3,5-Tris(2-thienyl)thiophene"	"c1csc(c1)c2cc(c3cccs3)c(s2)c4cccs4"	0	""	""	1	1	"376724"	NA
"657782"	657782	""	"[Br-].[Br-].C[n+]1c(cn2ccsc12)c3ccc(\C=N\Nc4ccnc(N\N=C\c5ccc(cc5)c6cn7ccsc7[n+]6C)n4)cc3"	0	NA	NA	1	1	"507858"	NA
"657802"	657802	"sodium 4-phenylbutyrate"	"OC(=O)CCCc1ccccc1"	0	NA	NA	1	1	"507865"	"1716127"
"657803"	657803	"bicyclo[3.3.1]non-3-en-2-ol-7-one"	"OC1C=CC2CC1CC(=O)C2"	0	""	""	1	1	"376749"	NA
"657807"	657807	"(1s)-5-oxo-borneol"	"CC1(C)C2CC(O)C1(C)CC2=O"	0	""	""	1	1	"189214"	NA
"657809"	657809	"n-methyl-6-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2C=CC(=O)C1CC2C#N"	0	NA	NA	1	1	"507872"	NA
"657810"	657810	"n-methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2CC(C#N)C1C(=O)C=C2"	0	NA	NA	1	1	"507873"	NA
"657811"	657811	"n-methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2CC(C#N)C1C(=O)C=C2"	0	NA	NA	1	1	"507874"	NA
"657821"	657821	"(1r)-camphoric anhydride"	"CC1(C)C2CCC1(C)C(=O)OC2=O"	0	NA	NA	1	1	"507884"	NA
"657822"	657822	"(1R)-3,3-Dibromocamphor"	"CC1(C)C2CCC1(C)C(=O)C2(Br)Br"	0	""	""	2	2	"376765"	NA
"657827"	657827	"(1r)-5-endo-bromo-6-endo-benzoyloxycamphor"	"CC1(C)C2CC(=O)C1(C)C(OCc3ccccc3)C2Br"	0	NA	NA	1	1	"507890"	NA
"657829"	657829	"(1r)-(-)-3-nitromethine-6-endo-acetoxycamphor"	"CC(=O)OC1CC2\C(=C\[N+](=O)[O-])\C(=O)C1(C)C2(C)C"	0	""	""	2	2	"3004516"	NA
"657833"	657833	"3-(hydroxymethoxymethyl)-3-butene-2-one"	"CC(=O)C(=C)COCO"	0	""	""	2	2	"376773"	NA
"657834"	657834	"3-(tert-butyldimethylsilyloxymethyl)-3-butene-2-one"	"CC(=O)C(=C)CO[Si](C)(C)C(C)(C)C"	0	""	""	2	2	"376774"	NA
"657838"	657838	"3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one"	"CC1(C)C2CCC1C(=O)C(C2)C=O"	0	""	""	1	1	"376778"	NA
"657843"	657843	"3-acetoxyquinuclidine"	"CC(=O)OC1CN2CCC1CC2"	0	NA	NA	1	1	"507906"	NA
"657871"	657871	"(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one"	"COc1ccc(cc1)C(=O)\C=C\c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(\C=C\C(=O)c4ccc(OC)cc4)cc3)cc2"	0	""	""	1	1	"5467689"	NA
"657876"	657876	"(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile"	"Clc1ccc(cc1)C(=O)\C=C\c2ccc(OCC#N)cc2"	0	""	""	1	1	"5467693"	NA
"657923"	657923	"Acnistin F"	"C[C@]12CCC3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)C1CC[C@@]2(O)C6CC7CC6(C)C(C)(O)C(=O)O7"	0	NA	NA	2	2	"507925"	NA
"657924"	657924	"N-[N-benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide"	"ClC(Cl)(Cl)\S(=N/C(=O)c1ccccc1)\NC(=O)c2ccccc2"	0	""	""	2	2	"376807"	NA
"657930"	657930	""	"CCOC(=O)C(Cl)(Cl)\S(=N/S(=O)(=O)c1ccccc1)\NC(=O)c2ccccc2"	0	NA	NA	1	1	"507932"	NA
"657931"	657931	"N-[N-acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide"	"CC(=O)\N=S(\NC(=O)c1ccc(C)cc1)/C(Cl)(Cl)Cl"	0	""	""	1	1	"376814"	NA
"657957"	657957	"7-Cheto-deoxycholic acid"	"CC(CCC(=O)O)[C@H]1CCC2[C@H]3C(CC(O)[C@]12C)[C@@]4(C)CCC(O)C[C@H]4CC3=O"	0	NA	NA	1	1	"507953"	NA
"657971"	657971	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(4-chlorobenzo..."	"Cc1nn(C(=O)c2ccc(Cl)cc2)c3NC(=N)SC(c4ccccc4[N+](=O)[O-])c13"	0	""	""	1	1	"376852"	NA
"657973"	657973	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(4-chlorobenzo..."	"COc1cc(ccc1O)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	"376854"	NA
"657989"	657989	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2- hydroxyben..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccccc4)c13"	0	""	""	1	1	"376869"	NA
"657990"	657990	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccccc4O)c13"	0	""	""	1	1	"376870"	NA
"657991"	657991	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"COc1ccc(cc1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	1	1	"376871"	NA
"657992"	657992	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2- hydroxyben..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(cc4)[N+](=O)[O-])c13"	0	""	""	2	1	"376872"	NA
"657993"	657993	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(O)cc4)c13"	0	""	""	2	2	"376873"	NA
"657994"	657994	"4-h-pyrazolo[3,4][1,3]thiazin-6-amine, 1-(2-hydroxybenzo..."	"COc1cccc(c1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	2	1	"376874"	NA
"657995"	657995	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"COc1cc(ccc1O)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	2	1	"376875"	NA
"657996"	657996	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4-dihydroxy..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(O)cc4O)c13"	0	""	""	1	1	"376876"	NA
"657999"	657999	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1ccc(cc1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	1	1	"376879"	NA
"658001"	658001	"4h-pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc5ccccc5c4O)c13"	0	""	""	1	1	"376881"	NA
"658002"	658002	"3-[(2S,3aR,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one"	"CC1(C)CCC[C@@]2(C)C1CC[C@@]3(CO)O[C@@H](CC23)C4=CC(=O)OC4O"	0	""	""	2	2	"11970052"	NA
"658003"	658003	"14-benzoylperegrine"	"CCN1C[C@]2(C)CCC(OC)C34C5C[C@@H]6[C@H](C[C@@](OC)(C5C6OCc7ccccc7)C(C(OC(=O)C)[C@H]23)[C@H]14)OC"	0	NA	NA	1	1	"507998"	NA
"658009"	658009	"4-chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline"	"CN(\N=C\c1cccs1)c2ccc(Cl)cc2[N+](=O)[O-]"	0	""	""	1	1	"9555937"	NA
"658079"	658079	"[1-(4-methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)CN(C1)c2ccc(OC)cc2"	0	""	""	1	1	"376893"	NA
"658080"	658080	"[5-methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)C(C)N(C1)c2ccccc2"	0	""	""	1	1	"376894"	NA
"658081"	658081	"[1-(4-methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)C(C)N(C1)c2ccc(OC)cc2"	0	""	""	1	1	"376895"	NA
"658082"	658082	"pyridinium, 1-[(1-oxobutoxy)methyl]-3-[6,7-dihydro- 1,2-..."	"CCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	2	"376896"	NA
"658083"	658083	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	"CCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"24202441"	NA
"658084"	658084	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide"	"CCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	2	"376898"	NA
"658085"	658085	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	"CCCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"376900"	NA
"658086"	658086	"pyridinium, 1-[(1-oxooctyloxy)methyl]-3-[6,7-dihydro- 1,..."	"CCCCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"376902"	NA
"658087"	658087	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide"	"CCC(CC)C(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	"376904"	NA
"658088"	658088	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)C(C)C)c2)n3CCCc13"	0	""	""	2	1	"376906"	NA
"658093"	658093	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)C3CC3)c2)n4CCCc14"	0	""	""	1	1	"376916"	NA
"658094"	658094	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)Cc3ccccc3)c2)n4CCCc14"	0	""	""	1	1	"376918"	NA
"658098"	658098	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2cc[n+](COC(=O)C(C)C)cc2)n3CCCc13"	0	""	""	2	1	"376926"	NA
"658100"	658100	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide"	"CC(C)CC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	"376930"	NA
"658103"	658103	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide"	"CCCCCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"376936"	NA
"658104"	658104	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	"CCCCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"24202442"	NA
"658106"	658106	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	"CCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	"24202443"	NA
"658107"	658107	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide"	"CCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	"376940"	NA
"658114"	658114	""	"COCOC1CC#CC(C)C(=O)CCCC\C=C\1"	0	NA	NA	2	1	"508034"	NA
"658140"	658140	"2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine"	"[O-][N+](=O)c1ccc2c(c1)\C(=N\N=C/3\c4cc(ccc4c5c3cc(cc5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])\c6cc(cc(c26)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"5876263"	NA
"658141"	658141	"6-Chloro-5,8-dihydroxy-7-[4-(pyridin-2-yl)piperazin-1-yl]naphthalene-1,4-dione"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CC3)c4ccccn4"	0	""	""	2	2	"376946"	NA
"658142"	658142	"2-(1-(4-(2-pyridyl)piperazino))naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)N3CCN(CC3)c4ccccn4"	0	""	""	4	2	"376947"	NA
"658143"	658143	"2-(1-(4-(2-(2-hydroxyethoxy)ethyl)piperazino))naphthazarin"	"OCCOCCN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"376948"	NA
"658144"	658144	"2-(1-Piperazino)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)N3CCNCC3"	0	""	""	3	3	"376949"	NA
"658145"	658145	"2-(2-(Dimethylamino)ethylamino)naphthazarin"	"CN(C)CCNC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"376950"	NA
"658147"	658147	"5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole"	"CC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C"	0	""	""	1	1	"376952"	NA
"658155"	658155	"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate"	"CCOC(=O)C1=CN(CC)c2ccc3ccsc3c2C1=O"	0	""	""	1	1	"376955"	NA
"658161"	658161	""	"OC1CC2OC1COC3=NC(=O)C(=CN23)\C=C/Br"	0	NA	NA	1	1	"508053"	NA
"658163"	658163	"5-[[2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine"	"COc1ccc(cc1)c2nc(Nc3ccccc3)sc2Cc4sc(Nc5ccccc5)nc4c6ccc(OC)cc6"	0	""	""	1	1	"376963"	NA
"658165"	658165	"5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran"	"Oc1ccc(Br)cc1\C=N\c2c(NC3CCCCC3)oc4ccc(Br)cc24"	0	""	""	1	1	"376965"	NA
"658167"	658167	"3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide"	"CC12CP(=O)(CC1c3ccccc3C2c4ccccc4)c5ccccc5"	0	""	""	1	1	"376967"	NA
"658174"	658174	"[3,3-Bis(4-methylphenyl)-2-benzothiophen-1(3H)-ylidene]propanedinitrile"	"Cc1ccc(cc1)C2(SC(=C(C#N)C#N)c3ccccc23)c4ccc(C)cc4"	0	""	""	1	1	"376974"	NA
"658175"	658175	"(4Z)-4-(3,3-diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one"	"CC1=NN(C(=O)/C/1=C/2\SC(c3ccccc3)(c4ccccc4)c5ccccc25)c6ccccc6"	0	""	""	1	1	"3004519"	NA
"658179"	658179	"Maybridge1_000696"	"[O-][N+](=O)c1cc(Cl)ccc1Sc2ccccc2"	0	""	""	1	1	"376977"	NA
"658201"	658201	"3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one"	"COc1ccc2c(OC(=O)c3c2[nH]c4cc(OC)ccc34)c1"	0	""	""	1	1	"376980"	NA
"658204"	658204	"5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one"	"CCN1C(=O)c2c([nH]c3cc(OC)ccc23)c4ccc(OC)cc14"	0	""	""	1	1	"376983"	NA
"658205"	658205	"5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one"	"O=C1N2CCCc3cccc(c23)c4[nH]c5ccccc5c14"	0	""	""	1	1	"376984"	NA
"658207"	658207	"3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate"	"CN1C(=O)c2c(oc3cc(OC(=O)C)ccc23)c4ccc(OC(=O)C)cc14"	0	""	""	1	1	"376986"	NA
"658208"	658208	"YLUDELKUKHQCMC-UHFFFAOYSA-"	"CCN1C(=O)c2c(oc3cc(O)ccc23)c4ccc(O)cc14"	0	""	""	1	1	"5465650"	NA
"658209"	658209	"VGNDNKIDFQSNDT-UHFFFAOYSA-"	"CCN1C(=O)c2c(oc3ccc(OC(=O)C)cc23)c4ccc(OC(=O)C)cc14"	0	""	""	1	1	"376988"	NA
"658211"	658211	"[1]Benzofuro[3,2-c]quinolin-6-ol"	"O=C1Nc2ccccc2c3oc4ccccc4c13"	0	""	""	1	1	"376990"	NA
"658213"	658213	"4-Azido-1-methyl-3-phenyl-quinolin-2-one"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)c3ccccc3"	0	""	""	1	1	"376992"	NA
"658215"	658215	"1h,5h-benzo[ij]quinolizine-5-one, 7-azido-2,3-dihydro- 6..."	"[O-][N+](=O)C1=C(N=[N+]=[N-])c2cccc3CCCN(C1=O)c23"	0	""	""	2	2	"376996"	NA
"658216"	658216	"3-Azido-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione"	"[N-]=[N+]=NC1(C(=O)c2cccc3c4ccccc4n(C1=O)c23)c5ccccc5"	0	""	""	1	1	"376998"	NA
"658227"	658227	"2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine"	"Brc1ccc(NC2CCON2C(=O)c3ccccc3)cc1"	0	""	""	1	1	"377009"	NA
"658228"	658228	"2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine"	"CC1CC(Nc2ccc(Br)cc2)N(O1)C(=O)c3ccc(Br)cc3"	0	""	""	1	1	"377010"	NA
"658229"	658229	"1-{3-[(4-Bromophenyl)amino]-5-methyl-1,2-oxazolidin-2-yl}ethanone"	"CC1CC(Nc2ccc(Br)cc2)N(O1)C(=O)C"	0	""	""	1	1	"377011"	NA
"658247"	658247	"pyridine-3,5-dicarboxylic acid, 1,4-dihydro-2,6-dimethyl..."	"CC1=C(CC(=C(C)N1)C(=O)NNC(=O)c2ccccc2O)C(=O)NNC(=O)c3ccccc3O"	0	""	""	2	2	"377030"	NA
"658255"	658255	""	"CCC\N=C(\NC(=O)c1ccc(Cl)cc1)/SC"	0	NA	NA	1	1	"508127"	NA
"658257"	658257	"naphthalene-1,2-dione, 4-[(4-bromophenyl)amino]-, 1-oxime"	"O\N=C\1/C(=O)C=C(Nc2ccc(Br)cc2)c3ccccc13"	0	""	""	2	2	"377041"	NA
"658259"	658259	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)CC(=O)c2sc(Nc3ccccc3Cl)nc2C"	0	""	""	1	1	"377043"	NA
"658274"	658274	"naphtho[2,3-d]thiazole-4,9-dione, 2-[(2,5-dichlorophenyl..."	"Clc1ccc(Cl)c(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c1"	0	""	""	2	2	"377059"	NA
"658275"	658275	"2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione"	"CCOc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	1	1	"377060"	NA
"658276"	658276	"2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione"	"FC(F)(F)c1ccccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	1	1	"377061"	NA
"658280"	658280	""	"Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc3ccccc3"	0	NA	NA	1	1	"508151"	NA
"658289"	658289	""	"C\C(=C\c1ccccc1)\C=C\2/NC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	2	1	"508160"	NA
"658290"	658290	"5-(3-nitrophenyl)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-..."	"COc1cc(\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O)cc(OC)c1OC"	0	NA	NA	1	1	"508161"	NA
"658291"	658291	"thiazolo[2,3-b]thiazolium, 2-[(2-chlorophenyl)methylene]..."	"CCOC(=O)c1sc2S\C(=C/c3ccccc3Cl)\C(=O)[n+]2c1C"	0	NA	NA	2	2	"581894"	NA
"658292"	658292	""	"COc1ccccc1\C=C\2/S\C(=N\Nc3nc(C)c(s3)C(=O)C)\NC2=O"	0	NA	NA	1	1	"508162"	NA
"658296"	658296	""	"COc1ccccc1\C=C\2/Sc3scc(c4ccc(O)c(O)c4)[n+]3C2=O"	0	NA	NA	1	1	"508166"	NA
"658300"	658300	"(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide"	"CC(=O)\C(=C\NC(=S)NCC=C)\C(=O)Nc1ccccc1C"	0	""	""	1	1	"135442827"	NA
"658304"	658304	"methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate"	"CCOP(=O)(OCC)\C(=C\NC(=S)c1ccncc1)\C(=O)OC"	0	""	""	1	1	"3000995"	NA
"658310"	658310	"2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide"	"Cc1ccc2N(C=C(C(=O)N)C(=O)N)C(=S)Nc2c1"	0	""	""	1	1	"3004537"	NA
"658316"	658316	"2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide"	"CC(=O)\C(=C\NC(=S)c1cccnc1)\C(=O)Nc2ccccc2C"	0	""	""	2	1	"135442828"	NA
"658327"	658327	"2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2)C(=O)N"	0	""	""	2	1	"3004551"	NA
"658334"	658334	"2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)N"	0	""	""	2	1	"3004556"	NA
"658343"	658343	""	"O=C1Oc2ccccc2C(=O)/C/1=C\Nc3nc(cs3)c4ccccc4"	0	NA	NA	1	1	"508213"	NA
"658352"	658352	"Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate"	"CCOC(=O)C(=O)\C(=C\N1C(=O)CC(=O)NC1=S)\C(=O)OCC"	0	""	""	2	1	"3004567"	NA
"658355"	658355	"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol"	"COc1ccc2Nc3c4C(=NCCN(CCO)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	2	1	"377153"	NA
"658356"	658356	"N,N-diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine"	"CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc4c2c1ccc4[N+](=O)[O-]"	0	""	""	1	1	"377154"	NA
"658359"	658359	"2-(4-Methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)-N,N-dimethylethanamine"	"COc1ccc2c(c1)c3=NCCN(CCN(C)C)c4ccc5ncn2c5c34"	0	""	""	2	2	"377157"	NA
"658360"	658360	"N,N-Diethyl-2-(4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)ethanamine"	"CCN(CC)CCN1CCN=c2c3cc(OC)ccc3n4cnc5ccc1c2c45"	0	""	""	2	2	"377158"	NA
"658361"	658361	"1-N,9-N-Bis[2-(dimethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"COc1ccc2Nc3c(\C(=N\CCN(C)C)\c2c1)c(NCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	1	1	"377159"	NA
"658362"	658362	"1-N,9-N-Bis[2-(diethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"CCN(CC)CCNc1ccc(c2Nc3ccc(OC)cc3\C(=N/CCN(CC)CC)\c12)[N+](=O)[O-]"	0	""	""	2	2	"377160"	NA
"658363"	658363	"1-N,9-N-Bis[3-(dimethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"COc1ccc2Nc3c(\C(=N\CCCN(C)C)\c2c1)c(NCCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	1	1	"377161"	NA
"658364"	658364	"1-N,9-N-Bis[3-(diethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"CCN(CC)CCCNc1ccc(c2Nc3ccc(OC)cc3\C(=N/CCCN(CC)CC)\c12)[N+](=O)[O-]"	0	""	""	1	1	"377162"	NA
"658365"	658365	"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"COc1ccc2Nc3c(C(=N)c2c1)c(NCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	2	1	"377163"	NA
"658366"	658366	"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"CCN(CC)CCNc1ccc(c2Nc3ccc(OC)cc3C(=N)c12)[N+](=O)[O-]"	0	""	""	2	2	"377164"	NA
"658367"	658367	"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"COc1ccc2Nc3c(C(=N)c2c1)c(NCCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	2	1	"377165"	NA
"658368"	658368	"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"CCN(CC)CCCNc1ccc(c2Nc3ccc(OC)cc3C(=N)c12)[N+](=O)[O-]"	0	""	""	2	1	"377166"	NA
"658369"	658369	"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CN(C)CCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	"377167"	NA
"658370"	658370	"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CCN(CC)CCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	"377168"	NA
"658371"	658371	"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CN(C)CCCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	"377169"	NA
"658372"	658372	"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CCN(CC)CCCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	"377170"	NA
"658373"	658373	"2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine"	"COc1ccc2Nc3c4C(=NCCN(CCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	1	1	"377171"	NA
"658387"	658387	"6,9-ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro- 2,..."	"Cc1nc2c(O)c3C4CCC(C=C4)c3c(O)c2nc1C"	0	""	""	3	3	"135409115"	NA
"658388"	658388	"1h-pyrido[3,4-b]indol-1-one, 2-[4-(dimethylamino)butyl]-..."	"CN(C)CCCCN1CCc2c(C1=O)n(C)c3ccccc23"	0	NA	NA	3	1	"508245"	"184691530"
"658396"	658396	"n-(3-aziridinylpropyl)-1,4-diaminobutane"	"NCCCCNCCCN1CC1"	0	""	""	2	2	"160394"	NA
"658397"	658397	"n-(4-aziridinylbutyl)-1,3-diaminopropane"	"NCCCNCCCCN1CC1"	0	""	""	2	2	"160395"	NA
"658398"	658398	"ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate"	"CCOC(=O)CC1(O)C=CC(=O)C=C1"	0	NA	NA	2	2	"508253"	NA
"658409"	658409	"11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole"	"Fc1nc(nc(n1)c2c3ccccc3c4sc5ccccc5n24)N6CCOCCOCCOCCOCC6"	0	""	""	1	1	"377183"	NA
"658416"	658416	"(2,4,6-trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate"	"[O-][N+](=O)c1cc(c(O\C(=N/CC(=O)N2CCNCC2)\CN(c3ccccc3)c4ccccc4)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"377189"	NA
"658417"	658417	"(2,4,6-trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate"	"Clc1cc(Cl)c(O\C(=N/CC(=O)n2cnc3ccccc23)\CN(c4ccccc4)c5ccccc5)c(Cl)c1"	0	""	""	1	1	"377190"	NA
"658418"	658418	"(2,4,6-trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate"	"Clc1cc(Cl)c(O\C(=N/CC(=O)N2c3ccccc3Sc4ccccc24)\CN(c5ccccc5)c6ccccc6)c(Cl)c1"	0	""	""	1	1	"377191"	NA
"658420"	658420	"(6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate"	"COCC(=O)OC1CCn2c1nc3C(=N)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	2	2	"377193"	NA
"658421"	658421	"syn/anti-6-acetamido-5-imino-7methyl-2,3-dihydro-1h-pyrr..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(CCn23)OC(=O)c4ccccc4)C1=N"	0	""	""	2	2	"377194"	"160595324"
"658425"	658425	"1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine"	"COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1"	0	""	""	1	1	"377198"	NA
"658441"	658441	"2-Amino-5,8-dihydroxy-1,4-naphthoquinone"	"NC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"377209"	NA
"658443"	658443	"2-chloro-3-amino-5,8-dihydoxy-1,4-naphthoquinone"	"NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"377211"	NA
"658444"	658444	"2-(1-(4-(n-ipropylacetamido)piperazine))-5,8-dihydroxy- ..."	"CC(C)NC(=O)CN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"438682"	NA
"658445"	658445	"2-(1-(4-(n-ipropylacetamido)piperazine))-3-chloro- 5,8-d..."	"CC(C)NC(=O)CN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"438683"	NA
"658450"	658450	"2-acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone"	"CC(=O)NC1=CC(=O)c2cc(C)cc(O)c2C1=O"	0	""	""	3	2	"377214"	NA
"658453"	658453	"3,5-dimethoxy-beta-methyl-beta-nitrostyrene"	"COc1cc(OC)cc(\C=C(/C)\[N+](=O)[O-])c1"	0	NA	NA	2	2	"508294"	NA
"658455"	658455	"(s,s)(-)3,5-dimethoxy n-(.alpha.-phenethyl)phenyl isopro..."	"COc1cc(CC(C)N[C@@H](C)c2ccccc2)cc(OC)c1"	0	NA	NA	1	1	"508296"	NA
"658467"	658467	"2,4-dioxo(1h,3h)pyrimido dimethyltetrathiafulvalene,tetr..."	"CC1=C(C)SC(=C2SC3=C(S2)C(=O)NC(=O)N3)S1"	0	NA	NA	1	1	"581897"	NA
"658469"	658469	"1,3-dimethyl-2,4-dioxo(1h,3h)pyrimido dimethyltetrathiaf..."	"CN1C(=O)N(C)C(=O)C2=C1SC(=C3SC(=C(C)S3)C)S2"	0	""	""	1	1	"377230"	NA
"658482"	658482	"Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate"	"CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC"	0	""	""	2	1	"3004572"	NA
"658484"	658484	"N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide"	"S=C(NC=C(C#N)C#N)c1ccncc1"	0	""	""	1	1	"3004574"	NA
"658485"	658485	"N-[(4Z)-4-[(2,4-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2ccc(Cl)cc2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	"9574807"	NA
"658486"	658486	"methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate"	"CCOP(=O)(OCC)\C(=C\N1C(=S)Nc2ccccc12)\C(=O)OC"	0	""	""	2	1	"3004575"	NA
"658487"	658487	"2-((Ethanethioylamino)methylene)malonamide"	"CC(=S)NC=C(C(=O)N)C(=O)N"	0	""	""	1	1	"3004576"	NA
"658489"	658489	""	"COc1ccccc1\C=C\2/SC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	1	1	"508319"	NA
"658490"	658490	"N-[(4Z)-4-[(2,3-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2cccc(Cl)c2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	"9574808"	NA
"658492"	658492	"N-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"COc1ccc(\C=C\2/N(C)\C(=N/C(=O)C)\N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O)cc1OC"	0	""	""	2	1	"9574810"	NA
"658493"	658493	""	"CC(=O)\N=C\1/N\C(=C/c2ccc(Cl)cc2)\C(=O)N1\C=C\3/C(=O)Oc4ccccc4C3=O"	0	NA	NA	1	1	"508323"	NA
"658494"	658494	"N-[(4Z)-4-[(2-Chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2ccccc2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	"9574811"	NA
"658496"	658496	""	"O=C1Oc2ccccc2C(=O)/C/1=C/N3C(=S)S\C(=C/c4ccc5OCOc5c4)\C3=O"	0	NA	NA	2	1	"508326"	NA
"658497"	658497	""	"[O-][N+](=O)c1ccc(\C=C\2/SC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O)cc1"	0	NA	NA	1	1	"508327"	NA
"658498"	658498	"2,2-Dicyanovinylthiourea"	"NC(=S)NC=C(C#N)C#N"	0	""	""	1	1	"3004581"	NA
"658500"	658500	"2-[(Phenylcarbamothioylamino)methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)N"	0	""	""	1	1	"3004583"	NA
"658502"	658502	"diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate"	"CCOC(=O)C(=O)\C(=C\NC(=S)c1ccncc1)\C(=O)OCC"	0	""	""	2	1	"135409119"	NA
"658504"	658504	"2-[(Allylcarbamothioylamino)methylene]propanediamide"	"NC(=O)C(=CNC(=S)NCC=C)C(=O)N"	0	""	""	1	1	"3004587"	NA
"658506"	658506	""	"NC(=O)\C(=C/NC(=S)NCc1ccccc1)\C#N"	0	NA	NA	2	1	"508336"	NA
"658510"	658510	""	"CCOC(=O)\C(=C/NC(=S)Nc1ccc(Cl)c(Cl)c1)\C(=O)c2ccccc2"	0	NA	NA	1	1	"508340"	NA
"658511"	658511	""	"CCOC(=O)C(=O)\C(=C\NC(=S)Nc1ccccc1Cl)\C(=O)OCC"	0	NA	NA	1	1	"508341"	NA
"658512"	658512	"(E)-2-cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide"	"NC(=O)\C(=C\N1C=CC(=O)NC1=S)\C#N"	0	""	""	1	1	"3004595"	NA
"658514"	658514	"Gab-geldanamycin"	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1OC(=O)CCCN)\C)\C)C2=O"	0	""	""	5	5	"5467747"	NA
"658524"	658524	"2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile"	"CC1=C(CCCl)C(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	"377271"	NA
"658525"	658525	"AE-406/41057053"	"COCCC1=C(C)C(=C2N(C)c3ccccc3N2C1=O)C#N"	0	""	""	1	1	"377272"	NA
"658526"	658526	"1-Azido-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1c(CCCl)c(N=[N+]=[N-])n2c3ccccc3nc2c1C#N"	0	""	""	2	2	"377273"	NA
"658702"	658702	"2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-4-methyl-1-propan-2-ylidenecyclohexane;1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-yl]-4-methylcyclohexene"	"CC1CCC(=CC1)C(C)(C)OC\C=C(/C)\CCC=C(C)C.CC2CCC(=C(C)C)C(C2)OC\C=C(/C)\CCC=C(C)C"	0	""	""	1	1	"5467750"	NA
"658717"	658717	"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione"	"SC1=NNC2(C(=N1)S)c3ccccc3c4ccccc24"	0	""	""	1	1	"3001581"	NA
"658725"	658725	""	"O=C1N=C(NNC12c3ccccc3c4ccccc24)SC(=C(SC5=NC(=O)C6(NN5)c7ccccc7c8ccccc68)SC9=NC(=O)C%10(NN9)c%11ccccc%11c%12ccccc%10%12)SC%13=NC(=O)C%14(NN%13)c%15ccccc%15c%16ccccc%14%16"	0	NA	NA	1	1	"508401"	NA
"658777"	658777	"[4,5-Diacetoxy-6-(2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)tetrahydropyran-3-yl] acetate"	"CSC1=NC(=O)CCN1C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	2	1	"377340"	NA
"658787"	658787	"Thymidine, 3'-azido-3'-deoxy-5'-oxo-"	"CC1=CN(C2CC(N=[N+]=[N-])C(O2)C(=O)O)C(=O)NC1=O"	0	""	""	1	1	"377346"	NA
"658791"	658791	""	"COc1ccc(CCNC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1OC"	0	NA	NA	1	1	"508426"	NA
"658798"	658798	""	"CCN1\C(=N/Nc2nc(cs2)c3ccc(O)c(O)c3)\S\C(=C/Nc4ccccc4)\C1=O"	0	NA	NA	1	1	"508433"	NA
"658799"	658799	""	"CCOC(=O)Cc1csc(N\C=C/2\C(=O)Oc3ccccc3C2=O)n1"	0	NA	NA	1	1	"508434"	NA
"658828"	658828	"[(2R,4R,6S,10S,11S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate"	"CC(=O)O[C@H]1CC2CC3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)CC(OC(=O)C)C4(C)[C@H]13)C(=O)C2=C"	0	""	""	2	2	"377385"	NA
"658829"	658829	"weisiensin a"	"CC(=O)O[C@H]1CC2CC3([C@@H](OC(=O)C)C(O)[C@@H]4C(C)(C)[C@@H](O)CC(OC(=O)C)C4(C)C13)C(=O)C2=C"	0	""	""	2	2	"377386"	NA
"658830"	658830	""	"Cn1c(N)nc(c2ccc(Cl)cc2)c1SSc3c(nc(N)n3C)c4ccc(Cl)cc4"	0	NA	NA	1	1	"508463"	NA
"658831"	658831	"[(1S,4S,7R,10S,12R)-4-acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CCCCCC(=O)N[C@H](C(O)C(=O)OC1C[C@@]2(O)C(OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5CC(OC6OCC(O)C(O)C6O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c7ccccc7"	0	"TUBB"	""	2	2	"6712194"	NA
"658832"	658832	"N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide"	"CN(C)CCNC(=O)c1cccc2nc3C(=O)c4ccccc4c3nc12"	0	""	""	2	2	"377390"	NA
"658835"	658835	"4,5-dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide"	"C1CN=C(N\N=C\2/c3ccccc3c4nc5ccccc5nc24)N1"	0	""	""	1	1	"438695"	NA
"658837"	658837	"6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one"	"CC(=O)Nc1ccc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	1	1	"377394"	NA
"658838"	658838	"1,3-dioxolo[4,5-g]quinolin-8-one, 6-(3-ethoxyphenyl)- 5,..."	"CCOc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"377395"	NA
"658839"	658839	"6-Amino-2-(3-methoxyphenyl)quinolin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3cc(N)ccc3N2"	0	""	""	1	1	"377396"	NA
"658840"	658840	"6-Amino-2-(3-chlorophenyl)quinolin-4-ol"	"Nc1ccc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	1	1	"377397"	NA
"658843"	658843	"5SH-2Ph-Quinol4one"	"Sc1cccc2NC(=CC(=O)c12)c3ccccc3"	0	""	""	1	1	"377400"	NA
"658846"	658846	"2-(Chloromethyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(CCl)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"377403"	NA
"658847"	658847	"2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"Fc1ccc(cc1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	"377404"	NA
"658850"	658850	"2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"COc1cc(OC)cc(c1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"377407"	NA
"658851"	658851	"2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone"	"CCNC1=C(NC(=O)c2cc(OC)cc(OC)c2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	"377408"	NA
"658852"	658852	"2-(3,5-Dimethoxyphenyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(nc2C(=O)c3ccccc3C(=O)c12)c4cc(OC)cc(OC)c4"	0	""	""	1	1	"377409"	NA
"658853"	658853	"KUC110490N"	"ClC1=C(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"377410"	NA
"658855"	658855	"N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide"	"CCNC1=C(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"377412"	NA
"658856"	658856	"1-Ethyl-2-phenyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(nc2C(=O)c3ccccc3C(=O)c12)c4ccccc4"	0	""	""	1	1	"377413"	NA
"658859"	658859	"2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"COc1ccc(cc1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"377416"	NA
"658867"	658867	"Neuro_000382"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccccc3"	0	""	""	3	3	"5467768"	NA
"658868"	658868	"1,8-naphthyridin-4(1h)-one, 6-methyl-2-phenyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccccc3"	0	""	""	3	2	"377425"	NA
"658869"	658869	"5-Methyl-2-phenyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccccc3"	0	""	""	2	2	"377426"	NA
"658870"	658870	"1,8-naphthyridin-4(1h)-one, 2-phenyl-"	"O=C1C=C(Nc2ncccc12)c3ccccc3"	0	""	""	2	2	"377427"	NA
"658872"	658872	"2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)Oc3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"135409136"	NA
"658873"	658873	"2-Chloro-3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}-5,8-dimethoxynaphthalene-1,4-dione"	"COc1ccc(OC)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CCOCCO)CC3"	0	""	""	2	2	"377430"	NA
"658874"	658874	"6-Methoxynaphthazarin"	"COC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"377431"	NA
"658883"	658883	""	"COc1ccc(cc1)C2=C(C#N)C(=O)N=C(SC)N2C3OCC(OC(=O)C)C(OC(=O)C)C3OC(=O)C"	0	NA	NA	1	1	"508509"	NA
"658920"	658920	"LS-129409"	"COc1ccc(cc1)N2C=NN3C(=O)c4cn[nH]c4N=C23"	0	""	""	1	1	"377463"	NA
"658928"	658928	"bis(2-chloroethyl)-n-methyl-n-(5-methyl-2-nitrobenzyl) a..."	"Cc1ccc(c(C[N+](C)(CCCl)CCCl)c1)[N+](=O)[O-]"	0	""	""	1	1	"377472"	NA
"658929"	658929	"bis(2-chloroethyl)-n-methyl-n-(3-methyl-2-nitrobenzyl)am..."	"Cc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-]"	0	""	""	1	1	"377474"	NA
"658945"	658945	"1,2-Bis(4-methoxyphenyl)-2-butanol"	"CCC(O)(Cc1ccc(OC)cc1)c2ccc(OC)cc2"	0	""	""	1	1	"377479"	NA
"658958"	658958	"10-chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one"	"[O-][N+](=O)c1ccc(cc1)N2N=C(N3CC(=O)N(CC4CC4)c5ccc(Cl)cc5C23c6ccccc6)c7ccccc7"	0	""	""	1	1	"377490"	NA
"658962"	658962	""	"C[C@]12C[C@@H](Nc3ccccc3N1C(=NO2)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"508573"	NA
"658963"	658963	""	"C[C@]12C[C@H](Nc3ccccc3N1C(=NO2)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"508574"	NA
"658995"	658995	"13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene"	"COc1ccc2Nc3c4C(=NCCN(C)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	1	1	"438699"	NA
"659000"	659000	"7-Chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4-one"	"Cc1cc(on1)N2C(=Nc3cc(Cl)ccc3C2=O)\C=C\c4ccc(Cl)cc4"	0	""	""	1	1	"5467778"	NA
"659102"	659102	""	"Clc1ccc(\C=C\2/Sc3scc(CC(=O)Nc4ccccc4)[n+]3C2=O)cc1"	0	NA	NA	1	1	"508610"	NA
"659123"	659123	"9-Butyl-1,2,3,4,5,6,7,8-octahydro-4-acridinol"	"CCCCc1c2CCCCc2nc3C(O)CCCc13"	0	""	""	1	1	"377556"	NA
"659126"	659126	"[(E)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide"	"C[N+](C)(C)\N=C\c1ccc(O)c(O)c1"	0	""	""	2	1	"135476761"	NA
"659127"	659127	""	"COc1cccc(\C=N\NC(=O)CN(C)C)c1O"	0	NA	NA	1	1	"508635"	NA
"659134"	659134	"2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate"	"CNC(=O)OCCN1c2ccccc2Sc3ccccc13"	0	""	""	1	1	"377569"	NA
"659148"	659148	""	"CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc3ccc(Cl)cc13"	0	NA	NA	1	1	"508656"	NA
"659154"	659154	"LS-16723"	"CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c2ccccc2"	0	""	""	1	1	"59252"	NA
"659162"	659162	"1h-benzimidazole, 5,5'-dithiobis[2-(trifluoromethyl)- (9ci)"	"FC(F)(F)c1nc2cc(SSc3ccc4[nH]c(nc4c3)C(F)(F)F)ccc2[nH]1"	0	""	""	2	1	"59453"	"102516983"
"659167"	659167	"LS-57550"	"CC1=C(C)CC(C#N)(C#N)C(C1)(C#N)C#N"	0	""	""	2	2	"50316"	NA
"659192"	659192	"LS-158387"	"COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O"	0	""	""	1	1	"377615"	NA
"659237"	659237	"LS-95745"	"N(c1occn1)c2cccc3ccccc23"	0	""	""	1	1	"57834"	NA
"659242"	659242	"2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"377661"	NA
"659255"	659255	"5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol"	"OC(CC(O)(C(F)(F)F)C(F)(F)F)C(O)c1occc1"	0	""	""	1	1	"377676"	NA
"659268"	659268	"LS-120177"	"OC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1"	0	""	""	1	1	"215057"	NA
"659269"	659269	"LS-57553"	"CC1=CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1"	0	""	""	1	1	"215054"	NA
"659287"	659287	"6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride"	"CN(C)CCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	"377696"	NA
"659288"	659288	"2,3-Dibromo-5,8-dihydroxynaphthoquinone"	"Oc1ccc(O)c2C(=O)C(=C(Br)C(=O)c12)Br"	0	""	""	2	2	"438700"	NA
"659289"	659289	"3-(Pyridin-3-yl)quinoline-4-carbohydrazide"	"NNC(=O)c1c(cnc2ccccc12)c3cccnc3"	0	""	""	1	1	"377698"	NA
"659319"	659319	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile"	"COc1c(Br)cc(\C=C(/C#N)\c2cccnc2)cc1Br"	0	""	""	1	1	"5467796"	NA
"659321"	659321	"QXSRLZYSIFQJJS-UKTHLTGXSA-N"	"COc1ccc(\C=C(/C#N)\c2ccccn2)cc1OC"	0	""	""	1	1	"5467797"	NA
"659323"	659323	"3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile"	"Clc1cc(Cl)cc(\C=C(/C#N)\c2ccccn2)c1"	0	""	""	1	1	"5467799"	NA
"659324"	659324	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	"COc1c(Br)cc(\C=C(/C#N)\c2ccccn2)cc1Br"	0	""	""	1	1	"5467800"	NA
"659325"	659325	"3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	"COc1cc(\C=C(/C#N)\c2ccccn2)cc(Br)c1O"	0	""	""	1	1	"135499406"	NA
"659332"	659332	"4-chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline"	"CN(\N=C\c1ccnc2ccccc12)c3ccc(Cl)cc3[N+](=O)[O-]"	0	""	""	1	1	"9571424"	NA
"659337"	659337	"2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide"	"CC(=NN1C=NC2=C(NC(C)(C)N=C12)C(=O)N)C"	0	""	""	1	1	"135409139"	NA
"659338"	659338	"N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide"	"CC(=NN\C=N/C(=C(\N)/C#N)/C#N)C"	0	""	""	1	1	"3004651"	NA
"659343"	659343	"2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccccc2"	0	""	""	1	1	"377752"	NA
"659346"	659346	"2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccc(Cl)cc2"	0	""	""	1	1	"377755"	NA
"659347"	659347	"2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"377756"	NA
"659390"	659390	""	"Oc1ccc(cc1O)c2csc(N\C=C/3\C(=O)Oc4ccccc4C3=O)n2"	0	NA	NA	2	2	"508873"	NA
"659434"	659434	"(5Z)-5-[(2-hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione"	"Oc1ccc2ccccc2c1\C=C/3\NC(=O)NC3=O"	0	""	""	1	1	"135458242"	NA
"659441"	659441	"N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide"	"CCCCCCCCCCCCCCCCNC(=O)\C(=C/c1ccc(Cl)c(Cl)c1)\NC(=O)c2ccccc2"	0	""	""	1	1	"5880148"	NA
"659501"	659501	"naphtho[2,3-d]thiazole-4,9-dione, 3-methyl-2-(methylimino)-"	"C\N=C\1/SC2=C(N1C)C(=O)c3ccccc3C2=O"	0	""	""	2	2	"377877"	NA
"659547"	659547	""	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccc(F)cc45"	0	NA	NA	1	1	"509004"	NA
"659548"	659548	"calycopterone"	"CO[C@H]1C[C@@H](Oc2c(OC)c(O)c3c(O[C@]45O[C@H](CC=C4C(=O)C(=C(OC)[C@]35OC)OC)c6ccccc6)c12)c7ccccc7"	0	NA	NA	2	2	"440797672"	NA
"659549"	659549	"calycopterin"	"COC1=C(Oc2cc(OC)c(OC)c(O)c2C1=O)c3ccc(O)cc3"	0	NA	NA	1	1	"440801133"	NA
"659550"	659550	"2-(3,4-dibromo-4-methylpentyl)-1,3-butadiene"	"CC(C)(Br)C(Br)CCC(=C)C=C"	0	""	""	1	1	"377927"	NA
"659552"	659552	"3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Br)(CBr)C=C"	0	""	""	2	2	"377929"	NA
"659553"	659553	"2,3,6-tribromo-7-chloro-3,7-dimethyl-1-octene"	"CC(C)(Cl)C(Br)CCC(C)(Br)C(=C)Br"	0	""	""	2	1	"377930"	NA
"659554"	659554	"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C=C"	0	""	""	1	1	"1552"	NA
"659555"	659555	"1,2,6-tribromo-3,7-dichloro-3,7-dimethyloctane"	"CC(C)(Cl)C(Br)CCC(C)(Cl)C(Br)CBr"	0	""	""	1	1	"377931"	NA
"659557"	659557	"(e and z) 1,6-dibromo-3-bromomethyl-7-chloro-7-methyl-2-..."	"CC(C)(Cl)C(Br)CC\C(=C/CBr)\CBr.CC(C)(Cl)C(Br)CC\C(=C\CBr)\CBr"	0	""	""	2	2	"5467856"	NA
"659558"	659558	"(e and z) 6-bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-..."	"CC(C)(Cl)C(Br)CC\C(=C/CCl)\CBr.CC(C)(Cl)C(Br)CC\C(=C\CCl)\CBr"	0	""	""	2	2	"5467859"	NA
"659608"	659608	"[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-[2-[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinyl]methyl]phosphonous acid"	"OP(O)C(NNC(=O)CC(=O)Nc1ccccc1Cl)c2cc(ccc2O)N=Nc3ccc(Br)cc3"	0	""	""	1	1	"377940"	NA
"659609"	659609	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-methylphenyl)-3-oxopropanamide"	"Cc1ccccc1NC(=O)CC(=O)NNC(Sc2ccccc2)c3cc(ccc3O)N=Nc4ccc(Br)cc4"	0	""	""	1	1	"377941"	NA
"659610"	659610	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-chlorophenyl)-3-oxopropanamide"	"Oc1ccc(cc1C(NNC(=O)CC(=O)Nc2ccccc2Cl)Sc3ccccc3)N=Nc4ccc(Br)cc4"	0	""	""	1	1	"377942"	NA
"659611"	659611	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-3-oxo-N-phenylpropanamide"	"Oc1ccc(cc1C(NNC(=O)CC(=O)Nc2ccccc2)Sc3ccccc3)N=Nc4ccc(Br)cc4"	0	""	""	1	1	"377943"	NA
"659616"	659616	"[[2-(3-Anilino-3-oxopropanoyl)hydrazinyl]-[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]methyl]phosphonous acid"	"OP(O)C(NNC(=O)CC(=O)Nc1ccccc1)c2cc(ccc2O)N=Nc3ccc(Br)cc3"	0	""	""	1	1	"377948"	NA
"659647"	659647	"2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CC3)c4ncccn4"	0	""	""	2	2	"438704"	NA
"659648"	659648	"naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-[4-(2-h..."	"OCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	"377971"	NA
"659687"	659687	"6h-pyrido[4,3-b]carbazole-1-carboxamide, 9-hydroxy- 5,6-..."	"CN(C)CCNC(=O)c1nccc2c(C)c3c(cc12)c4cc(O)ccc4n3C"	0	NA	NA	3	3	"509091"	NA
"659778"	659778	"3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea"	"O=C(N(Cc1occc1)C(=S)Nc2ccccc2)c3occc3"	0	""	""	2	2	"3004796"	NA
"659779"	659779	"2-Bromoleptoclinidinone"	"Brc1ccc2c(c1)nc3C(=O)c4cccnc4c5nccc2c35"	0	""	""	2	2	"378074"	"109802177"
"659780"	659780	"11-Methylpyrido[2,3-b]acridine-5,12-dione"	"Cc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	1	1	"378075"	NA
"659853"	659853	"L-alpha-Aminobutyric Acid"	"COc1cc2C3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CCc2cc1O"	0	NA	NA	5	5	"509212"	"362072"
"659924"	659924	"1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea"	"CC(=C)CNC(=S)N(N)c1ccc2ccccc2c1"	0	""	""	1	1	"3004832"	NA
"659934"	659934	"5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one"	"CC(=CCS(=O)c1ccccc1NC2=CC(=O)CC(C)(C)C2)C"	0	""	""	1	1	"378130"	NA
"659935"	659935	""	"[I-].[I-].CCCCCCCCCCCCCC\C(=C\OCC[N+](C)(C)C)\OC(=O)C.CCCCCCCCCCCCC\C=C(\COCC[N+](C)(C)C)/OC(=O)C"	0	NA	NA	1	1	"509226"	NA
"659936"	659936	""	"C\C\1=C/C2OC(=O)C(=C)[C@@H]2C(C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO"	0	NA	NA	2	2	"509227"	NA
"659937"	659937	"oxireno[2,3]azuleno[4,5-b]furan-2,7-dione, 2,3,3a,4,5,7,..."	"CC1=C2C(C3OC(=O)C(=C)[C@@H]3CC1)[C@]4(C)OC4C2=O"	0	NA	NA	2	2	"509228"	NA
"659947"	659947	"7-o-[3-o-93-amino-2,3,6-trideoxy-.alpha.-l.lyxo-hexopyra..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(OC6CC(N)C(O)C(C)O6)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	2	1	"11970066"	NA
"659948"	659948	"7-o-(2,3,6-trideoxy-2-fluoro-.alpha.-l-talo-hexopyranosy..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C)C(F)C(O)C1O"	0	""	""	2	2	"6712215"	NA
"659949"	659949	"14-bromo-7-o-(2,3,6-trideoxy-2-fluoro-.alpha.-l-talo-hex..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CBr)C(F)C(O)C1O"	0	""	""	2	2	"6712216"	NA
"659950"	659950	"7-o-(3,4-di-o-acetyl-2,3,6-trideoxy-2-fluoro-.alpha.-l-t..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C)C(F)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	"6712217"	NA
"659996"	659996	"C11H7ClO5"	"COC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"135409146"	NA
"659997"	659997	"naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-(2-meth..."	"COCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	"135409147"	NA
"659998"	659998	"6-Chloro-5,8-dihydroxy-7-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione"	"COCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"135409148"	NA
"659999"	659999	"naphthalene-1,4-dione, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2..."	"OCCOCCN1CCN(CC1)C2=C(Br)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"378196"	NA
"660019"	660019	""	"[O-][N+](=O)c1ccc(\C=C\2/SC(=S)N(\C=C(/C#N)\c3nc4ccccc4s3)C2=O)cc1"	0	NA	NA	1	1	"509306"	NA
"660026"	660026	"4-[(5S,8R,8aR)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"CO[C@@H]1OCC2[C@H](Nc3ccccc3)c4cc5OCOc5cc4C([C@@H]12)c6cc(OC)c(O)c(OC)c6"	0	""	""	1	1	"378223"	NA
"660027"	660027	"4-[(5S,8aR)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2[C@H]3COCC3[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"378224"	NA
"660028"	660028	"4-[(5S,8aR)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2[C@H]3COCC3[C@H](Nc4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	"378225"	NA
"660029"	660029	"(5S,8R,8aR)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol"	"COc1cc(cc(OC)c1O)C2[C@H]3[C@H](O)OCC3[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	"378226"	NA
"660031"	660031	"11-Methoxyrutecarprine"	"COc1ccc2c3CCN4C(=O)c5ccccc5N=C4c3[nH]c2c1"	0	""	""	1	1	"378228"	NA
"660032"	660032	"18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one"	"O=C1N2CCc3c([nH]c4cc5OCOc5cc34)C2=Nc6ccccc16"	0	""	""	1	1	"378229"	NA
"660144"	660144	"Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate"	"CCOC(=O)\C(=C/c1oc(CO)cc1)\P(=O)(OCC)OCC"	0	""	""	1	1	"5467924"	NA
"660145"	660145	"Triethyl 2-phosphono-3-(4-quinoline)acrylate"	"CCOC(=O)\C(=C/c1ccnc2ccccc12)\P(=O)(OCC)OCC"	0	NA	NA	1	1	"509343"	NA
"660147"	660147	"Trimethyl 2-phosphono-3-(2-furan)acrylate"	"COC(=O)\C(=C/c1occc1)\P(=O)(OC)OC"	0	""	""	1	1	"5467926"	NA
"660148"	660148	"Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate"	"COC(=O)\C(=C(\C)/c1occc1)\P(=O)(OC)OC"	0	NA	NA	1	1	"509346"	NA
"660149"	660149	"Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile"	"CC(C)OP(=O)(OC(C)C)\C(=C\c1occc1)\C#N"	0	""	""	1	1	"5467928"	NA
"660150"	660150	"3-Diethylphosphono-6-hydroxycoumarin"	"CCOP(=O)(OCC)C1=Cc2cc(O)ccc2OC1=O"	0	""	""	1	1	"378257"	NA
"660159"	660159	"Ethyl 2-cyano-3-(4-quinoline)acrylate"	"CCOC(=O)\C(=C\c1ccnc2ccccc12)\C#N"	0	""	""	1	1	"5467937"	NA
"660160"	660160	"Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile"	"CCOP(=O)(OCC)\C(=C\c1ccnc2ccccc12)\C#N"	0	""	""	1	1	"5467938"	NA
"660224"	660224	"WEHI-150"	"NCCNCCNc1ccc(NCCNCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	1	1	"438708"	NA
"660313"	660313	"KUC100204"	"COc1cccc(c1)C2=CC(=O)c3cc(NC(=O)C)ccc3N2"	0	""	""	1	1	"378309"	NA
"660334"	660334	"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile"	"Clc1cc(C#N)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	"378325"	NA
"660340"	660340	"5-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4-methyl-1H-pyrimidin-6-one"	"CC1=C(CCO)C(=O)N(N1)C2=NC(=C(CCO)C(=O)N2)C"	0	""	""	1	1	"135409152"	NA
"660429"	660429	"1,4-Dimethylpyrido[1,2-a]benzimidazole"	"Cc1ccc(C)n2c3ccccc3nc12"	0	""	""	1	1	"378347"	NA
"660430"	660430	"Pyrido[1,2-a]benzimidazole"	"c1ccc2c(c1)nc3ccccn23"	0	""	""	1	1	"378348"	NA
"660431"	660431	"1,4-Dimethylnaphtho[2',3':4,5]imidazo[1,2-a]pyridine"	"Cc1ccc(C)n2c3cc4ccccc4cc3nc12"	0	""	""	1	1	"378349"	NA
"660439"	660439	"6,11-Dimethylbenzimidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2c(C)n3c4ccccc4nc13"	0	""	""	1	1	"378356"	NA
"660632"	660632	"2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin"	"CCCCOCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"135409154"	NA
"660633"	660633	"2-Chloro-3-(3-chloro-propyloxy)-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)OCCCCl"	0	""	""	2	2	"135409155"	NA
"660634"	660634	"2-Chloro-3-(2-chloroethoxy)-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)OCCCl"	0	""	""	2	2	"135409156"	NA
"660635"	660635	"2-chloro-3-[1-(4-(4'-acetophenone)piperazino)]- naphthaz..."	"CC(=O)c1ccc(cc1)N2CCN(CC2)C3=C(Cl)C(=O)c4c(O)ccc(O)c4C3=O"	0	""	""	1	1	"378361"	NA
"660636"	660636	"2-[1-(4-(4'-Acetophenone)piperazino)]-naphthazarin"	"CC(=O)c1ccc(cc1)N2CCN(CC2)C3=CC(=O)c4c(O)ccc(O)c4C3=O"	0	""	""	1	1	"438711"	NA
"660637"	660637	"6-chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"378362"	NA
"660638"	660638	"6-Chloro-5,8-dihydroxy-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}naphthalene-1,4-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"375897"	NA
"660647"	660647	""	"CN(C)c1ccc(cc1)\C(=C\2/OC(=O)c3ccccc23)\Br"	0	NA	NA	1	1	"509467"	NA
"660667"	660667	"9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene"	"COc1ccc(cc1)c2c3ccccc3c(c4ccc(OCCBr)cc4)c5ccccc25"	0	""	""	1	1	"378370"	NA
"660673"	660673	"1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate"	"COc1ccc(cc1)\N=C\C=C\C(=C\COC(=O)C)\OC(=O)C"	0	""	""	1	1	"5467952"	NA
"660675"	660675	"1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate"	"COc1ccc(NC\C=C\C(=C\COC(=O)C)\OC(=O)C)cc1"	0	""	""	1	1	"5467954"	NA
"660813"	660813	"6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one"	"CN1c2c(C)cccc2C(=O)c3c(O)cc4OC(C)(C)C=Cc4c13"	0	""	""	1	1	"5465763"	NA
"660814"	660814	"1-hydroxy-3-methyl-10H-acridin-9-one"	"Cc1cc(O)c2C(=O)c3ccccc3Nc2c1"	0	""	""	1	1	"5465764"	NA
"660816"	660816	"3-Methoxy-1,10-dimethyl-9(10H)-acridinone"	"COc1cc(C)c2C(=O)c3ccccc3N(C)c2c1"	0	""	""	1	1	"378398"	NA
"660817"	660817	"6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one"	"CN1c2ccccc2C(=O)c3c(O)cc4OC5(CCCC5)C=Cc4c13"	0	""	""	1	1	"5465765"	NA
"660818"	660818	"Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	"COc1cc2OC3(CCCC3)C=Cc2c4N(C)c5ccccc5C(=O)c14"	0	""	""	1	1	"378400"	NA
"660821"	660821	""	"COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]34C=C(C(C)C)[C@H](CC23)CC4(Cl)C#N"	0	NA	NA	1	1	"509507"	NA
"660838"	660838	"5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4C(=O)c1c23"	0	""	""	1	1	"378419"	NA
"660839"	660839	"5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4C(=O)c1c23"	0	""	""	1	1	"378420"	NA
"660840"	660840	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4C(=O)c1c23"	0	""	""	2	2	"378421"	NA
"660841"	660841	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one"	"CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4C(=O)c1c23"	0	""	""	2	2	"378422"	NA
"660842"	660842	""	"OC(=O)C[n+]1cn(NC(=O)Cc2ccccc2)cn1"	0	NA	NA	1	1	"581920"	NA
"660843"	660843	"1-(2-Tert-butoxy-2-oxoethyl)-4-[methyl(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium bromide"	"CN(C(=O)Cc1ccccc1)n2cn[n+](CC(=O)OC(C)(C)C)c2"	0	""	""	1	1	"378423"	NA
"660850"	660850	"2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide"	"CO\N=C(/C(=O)Nc1cncs1)\c2csc(NC(c3ccccc3)(c4ccccc4)c5ccccc5)n2"	0	""	""	1	1	"6393313"	NA
"660854"	660854	"Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate"	"CO\N=C(\C(=O)N(N1C=NN(CC(=O)OC(C)(C)C)C1=O)C(=O)\C(=N\OC)\c2csc(NC(c3ccccc3)(c4ccccc4)c5ccccc5)n2)/c6csc(NC(c7ccccc7)(c8ccccc8)c9ccccc9)n6"	0	""	""	1	1	"16129786"	NA
"660977"	660977	"2-bromo-8-hydroxy-6-methyl-1,4-naphthoquinone"	"Cc1cc(O)c2C(=O)C(=CC(=O)c2c1)Br"	0	""	""	2	2	"378439"	"161811592"
"660978"	660978	"2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone"	"COc1cc(C)cc2C(=O)C=C(Br)C(=O)c12"	0	""	""	2	2	"378440"	NA
"660979"	660979	"2-bromo-6-methyl-1,4,8-trimethoxynaphthalene"	"COc1cc(Br)c(OC)c2c(OC)cc(C)cc12"	0	""	""	1	1	"378441"	NA
"660981"	660981	"(s)-(+)-n-1-(3,5-dimethoxybenzyl)ethyl acetamide"	"COc1cc(CC(C)NC(=O)C)cc(OC)c1"	0	""	""	1	1	"378442"	NA
"660983"	660983	"(1r,3s)-1,2,3,4-tetrahydro-1,3-dimethyl-6,8-dimethoxy- n..."	"COc1cc2CC(C)N(Cc3ccccc3)[C@@H](C)c2c(OC)c1"	0	""	""	1	1	"378444"	NA
"661005"	661005	""	NA	0	NA	NA	1	1	"509553"	NA
"661083"	661083	"2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-4-chloro-5-methylbenzenesulfonamide"	"CC1=NN(c2nc(N)nc(CSc3cc(Cl)c(C)cc3S(=O)(=O)N)n2)C(C)(C)C1"	0	""	""	1	1	"378483"	NA
"661091"	661091	"2-[2-[[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid"	"CC1CC=NN1c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3SCC(=O)O)n2"	0	""	""	1	1	"378491"	NA
"661094"	661094	"6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1"	0	""	""	1	1	"378494"	NA
"661095"	661095	"Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2S1"	0	""	""	1	1	"378495"	NA
"661096"	661096	"6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1"	0	""	""	1	1	"378496"	NA
"661098"	661098	"6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide"	"Cc1cc2c(SC(=NS2(=O)=O)NNC3=NCCN3)cc1Cl"	0	""	""	1	1	"378498"	NA
"661108"	661108	""	"CN(C)C1=N\C(=N\Cc2ccccc2)\SS1"	0	NA	NA	2	1	"509606"	NA
"661109"	661109	""	"CN(C)C1=N\C(=N\Cc2ccccn2)\SS1"	0	NA	NA	2	1	"509607"	NA
"661110"	661110	""	"CN(C)C1=N\C(=N\Cc2cccs2)\SS1"	0	NA	NA	2	1	"509608"	NA
"661111"	661111	""	"CN(C)C1=N\C(=N\Cc2cccnc2)\SS1"	0	NA	NA	1	1	"509609"	NA
"661112"	661112	""	"CN(C)C1=N\C(=N\Cc2ccncc2)\SS1"	0	NA	NA	4	1	"509610"	NA
"661113"	661113	""	"COc1cc(C\N=C\2/SSC(=N2)N(C)C)cc(OC)c1OC"	0	NA	NA	2	1	"509611"	NA
"661114"	661114	"physalin o"	"C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]3C(=O)C4(O)OC35C2(C)OC(=O)[C@@]5(O)CCC6C4C(O)C=C7CC=CC(=O)[C@]67C"	0	NA	NA	1	1	"509612"	NA
"661115"	661115	"physalin f"	"C[C@@]12C[C@H]3OC(=O)[C@@H]1COC45OC6([C@H]2C4=O)C3(C)OC(=O)C6(O)CCC7C5C[C@H]8O[C@]89CC=CC(=O)[C@]79C"	0	NA	NA	1	1	"509613"	NA
"661153"	661153	"pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione, 6-[3-(methylam..."	"CNCCCn1c2ccccc2c3c4C(=O)NC(=O)c4c(cc13)c5ccsc5"	0	""	""	2	2	"378525"	NA
"661180"	661180	"6-Admpb"	"COc1ccc(cc1)C2=C(OC(=O)C)c3cccn3c4ccccc4S2"	0	""	""	1	1	"1784"	NA
"661185"	661185	"6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate"	"COc1ccc(cc1)C2=C(OC(=O)N(C)C)c3cccn3c4cc(ccc4S2)C(F)(F)F"	0	""	""	1	1	"378550"	NA
"661196"	661196	"cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5-hydr..."	"N[C@@H]1[C@H](O)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	2	"509653"	NA
"661201"	661201	"Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate"	"CCOC(=O)c1sc2nc(nn2c1CBr)c3ccccc3"	0	""	""	1	1	"378562"	NA
"661203"	661203	"Rutagravine"	"CN1c2ccccc2C(=O)c3c(O)cc4OC5C(OCC5(C)O)c4c13"	0	""	""	1	1	"5465778"	NA
"661204"	661204	"3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone"	"COc1cc(OC(C)(C)C#C)cc2N(C)c3ccccc3C(=O)c12"	0	""	""	1	1	"378565"	NA
"661205"	661205	"4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one"	"CN1c2ccccc2C(=O)c3c(O)c4CC(Oc4cc13)C(=C)C"	0	""	""	2	2	"378566"	NA
"661221"	661221	"1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-"	"Cc1ccc2c(c1)c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	2	2	"378581"	NA
"661222"	661222	"11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	2	1	"378582"	NA
"661223"	661223	"1h-benzo[a]carbazole-1,4-dione, 4,11-dihydro- 11-(3-nitr..."	"[O-][N+](=O)c1cccc(c1)n2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24"	0	""	""	2	2	"378583"	NA
"661224"	661224	"9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1ccc2c3ccc4C(=O)C=CC(=O)c4c3n(C)c2c1"	0	""	""	2	2	"378584"	NA
"661225"	661225	"11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3c(cc4C(=O)C=CC(=O)c4c13)c5ccccc5"	0	""	""	2	2	"378585"	NA
"661226"	661226	"Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate"	"COC(=O)c1c(C(=O)OC)c2c3ccccc3n(C)c2c4C(=O)C=CC(=O)c14"	0	""	""	2	2	"378586"	NA
"661229"	661229	"13-(3-Methoxyphenyl)-9,13-diazahexacyclo[14.8.0.02,10.03,8.011,15.019,24]tetracosa-2(10),3,5,7,19,21,23-heptaene-12,14-dione"	"COc1cccc(c1)N2C(=O)C3C4CCc5ccccc5C4c6c([nH]c7ccccc67)C3C2=O"	0	""	""	2	1	"378589"	NA
"661231"	661231	"(2E)-2-[(4-chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one"	"Cc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	2	2	"5467971"	NA
"661232"	661232	"2-(4-hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclope..."	"Oc1ccc(\C=C\2/CCC(CNc3ccccc3)C2=O)cc1"	0	""	""	2	2	"5467972"	NA
"661233"	661233	"(5E)-2-[(4-ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccc(O)cc3)\C2=O)cc1"	0	""	""	2	2	"5467973"	NA
"661235"	661235	"2-{[(4-bromophenyl)amino]methyl}-5-(4-methoxybenzylidene..."	"COc1ccc(\C=C\2/CCC(CNc3ccc(Br)cc3)C2=O)cc1"	0	""	""	1	1	"5467975"	NA
"661236"	661236	"4-[[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide"	"COc1ccc(\C=C\2/CCC(CNc3ccc(cc3)S(=O)(=O)N)C2=O)cc1"	0	""	""	2	2	"5467976"	NA
"661238"	661238	"(5E)-2-(anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one"	"O=C1C(CNc2ccccc2)CC/C/1=C\C=C\c3ccccc3"	0	""	""	2	2	"5467978"	NA
"661239"	661239	"(5E)-2-[(4-bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one"	"Brc1ccc(NCC2CC\C(=C/C=C/c3ccccc3)\C2=O)cc1"	0	""	""	1	1	"5467979"	NA
"661242"	661242	"Homofascaplysin B"	"COC(=O)C(=O)c1c2ccccc2n3ccc4c5ccccc5[nH]c4c13"	0	""	""	1	1	"378602"	NA
"661243"	661243	"[?]carbaldehyde"	"O=Cc1c2ccccc2n3ccc4c5ccccc5[nH]c4c13"	0	""	""	1	1	"378603"	NA
"661254"	661254	""	NA	0	NA	NA	1	1	"440803335"	NA
"661412"	661412	"arborescidine d"	"CN1CCc2c3C1CCC[C@@H](O)n3c4cc(Br)ccc24"	0	""	""	2	1	"378619"	NA
"661413"	661413	"2-(2-Methoxyethoxy)naphthazarin"	"COCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	"378620"	NA
"661415"	661415	"2-Chloro-3-(2-butoxyethoxy)naphthazarin"	"CCCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"135406263"	NA
"661416"	661416	"2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin"	"COCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	"378623"	NA
"661417"	661417	"2-(2-Butoxyethoxy)naphthazarin"	"CCCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	"378624"	NA
"661418"	661418	"2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin"	"CCCCOCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	"378625"	NA
"661419"	661419	"2-(1-(4-Methyl)piperazino)naphthazarin"	"CN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	1	1	"378626"	NA
"661420"	661420	"2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin"	"CN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"378627"	NA
"661421"	661421	"GTPL10345"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCOCC3"	0	""	""	2	2	"378629"	NA
"661428"	661428	""	"CC(=O)OC[C@]12CCC3[C@@]4(C)CCCC(C)(C)C4CC[C@@]3(C)C1CC(O2)C5=CC(=O)OC5O"	0	NA	NA	1	1	"509731"	NA
"661440"	661440	"5h-benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(dimeth..."	"CN(C)CC1CCCc2ccccc2C1=O"	0	NA	NA	2	2	"509738"	NA
"661441"	661441	"n,n-dimethyl-n-[(6,7,8,9-tetrahydro-5h-benzocyclohepten-..."	"C[N+](C)(C)CC1CCCc2ccccc2C1=O"	0	""	""	4	4	"378643"	NA
"661443"	661443	"(E)-1-(3,4-dichlorophenyl)-5-(diethylamino)pent-1-en-3-one"	"CCN(CC)CCC(=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	"5467985"	NA
"661446"	661446	""	"CC(C)(CN1CCCCC1)\C(=N/NC(=O)N\N=C(\C=C\c2ccc(Cl)c(Cl)c2)/C(C)(C)CN3CCCCC3)\C=C\c4ccc(Cl)c(Cl)c4"	0	NA	NA	1	1	"509744"	NA
"661447"	661447	""	"Cc1ccc(\C=C\C(=N\NC(=O)N\N=C(\C=C\c2ccc(C)cc2)/C(C)(C)CN3CCCCC3)\C(C)(C)CN4CCCCC4)cc1"	0	NA	NA	2	2	"509745"	NA
"661448"	661448	""	"COc1ccc(\C=C\C(=N\NC(=O)N\N=C(\C=C\c2ccc(OC)cc2)/C(C)(C)CN3CCCCC3)\C(C)(C)CN4CCCCC4)cc1"	0	NA	NA	1	1	"509746"	NA
"661449"	661449	""	"CN(C)CC1CCCCCCCCCCC1=O"	0	NA	NA	1	1	"509747"	NA
"661470"	661470	"4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide"	"CC1(C)N(O)C(C)(C)[N+](=C1CBr)[O-]"	0	""	""	2	1	"378673"	NA
"661580"	661580	"2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\[C@@H](C)C1OC(=O)CN)\C)\C)C2=O"	0	""	""	2	2	"5467999"	NA
"661581"	661581	"2-azabicyclo[16.3.1]docosane, geldanamycin deriv."	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\[C@@H](C)[C@@H]1OC(=O)CCN)\C)\C)C2=O"	0	""	""	2	2	"5468001"	NA
"661583"	661583	"Tributyrin"	"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC"	0	""	""	2	1	"6050"	"60015"
"661734"	661734	"N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide"	"Cc1cccc(\C=N\NC(=S)N2CCCC2)n1"	0	""	""	3	2	"9571830"	NA
"661746"	661746	"2-Debenzoyl-2-(3',5'-difluorobenzoyl)-A-nortaxol"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4cc(F)cc(F)c4)[C@@]5(CC(OC(=O)C(O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C15)C)C(=C)C"	0	"TUBB"	""	2	2	"6712230"	NA
"661747"	661747	"ursa-11,13(18)-dien-28-oic acid-3.beta.-ol"	"CC1CC[C@@]2(CCC3(C)C(=C2[C@H]1C)C=CC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C(=O)O"	0	NA	NA	1	1	"509782"	NA
"661748"	661748	"hopeaphenol"	"Oc1ccc(cc1)[C@H]2Oc3cc(O)cc4[C@H]([C@@H]5[C@@H](c6ccc(O)cc6)c7c(O)cc(O)cc7C8[C@H](Oc9cc(O)cc5c89)c%10ccc(O)cc%10)[C@@H](c%11ccc(O)cc%11)c%12c(O)cc(O)cc%12C2c34"	0	NA	NA	1	1	"509783"	"17912855"
"661820"	661820	""	"CCN(CC)CCN1c2ccc3cnn(CCN(CC)CC)c3c2C(=O)c4cccnc14"	0	NA	NA	2	1	"509803"	NA
"661822"	661822	""	"CCN(CC)CCN1c2cc3OCCOc3cc2C(=O)c4cccnc14"	0	NA	NA	1	1	"509805"	NA
"661832"	661832	"2,5-Dibenzyl-2-undecyloctahydro-1H-pyrrolo[3,4-c]pyridin-2-ium bromide"	"CCCCCCCCCCC[N+]1(Cc2ccccc2)CC3CCN(Cc4ccccc4)CC3C1"	0	""	""	1	1	"378731"	NA
"661908"	661908	"4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole"	"N#Cc1ccc(cc1)C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"378752"	NA
"661916"	661916	"N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine"	"[O-][N+](=O)c1ccc(Cl)c(\C=N\C23CC4CC(CC(C4)C2)C3)c1"	0	""	""	2	1	"378760"	NA
"661938"	661938	"6-Chloro-5,8-dihydroxy-7-[(2-hydroxyethyl)amino]naphthalene-1,4-dione"	"OCCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	1	"378768"	NA
"661939"	661939	"2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate"	"CC(=O)OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"378769"	NA
"661940"	661940	"2-(2-Chloroethoxy)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)OCCCl"	0	""	""	3	2	"378770"	NA
"661941"	661941	"2-(3-Chloropropyloxy)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)OCCCCl"	0	""	""	2	1	"378771"	NA
"661942"	661942	"6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin"	"Oc1c(Cl)c(N(CCCl)CCCl)c(O)c2C(=O)C=CC(=O)c12"	0	""	""	4	2	"378772"	NA
"661943"	661943	"2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester"	"CCC(C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC"	0	""	""	1	1	"378773"	NA
"661957"	661957	"1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane"	"COc1ccc(OC)c(c1)C(Cc2ccnc3ccccc23)Cc4ccnc5ccccc45"	0	""	""	1	1	"378782"	NA
"661960"	661960	"2,6,13,17-Tetrazaheptacyclo[15.12.0.01,25.03,16.05,14.07,12.018,23]nonacosa-3,5,7,9,11,13,15,18(23)-octaene"	"C1CCC23N=C4C=C5Nc6ccccc6N=C5C=C4N2C7=C(CCCC7)CC3C1"	0	""	""	1	1	"378784"	NA
"661967"	661967	""	"CCOC(=O)[C@@]12C[C@@](O[Si](C)(C)C)(\C=C\OC)[C@]13N(CCc4cc(OC)c(OC)cc34)C(=O)C2O"	0	NA	NA	1	1	"509872"	NA
"661968"	661968	""	"OC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2c3ccccc13)NC(=O)CCC(NC(=O)OCC4c5ccccc5c6ccccc46)C(=O)O"	0	NA	NA	1	1	"509873"	NA
"661969"	661969	"Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[3-(9H-fluoren-9-ylmethoxycarbonylsulfanyl)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate"	"COC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2c3ccccc13)NC(=O)CCC(NC(=O)OCC4c5ccccc5c6ccccc46)C(=O)OC"	0	""	""	1	1	"378793"	NA
"662116"	662116	"4h-cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5,6..."	"NC1CC(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	2	"509876"	NA
"662119"	662119	"N-(3-Bromo-6-oxo-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)NC1CC(=O)c2csc(Br)c12"	0	""	""	1	1	"378798"	NA
"662120"	662120	"4h-cyclopenta[c]thiophene-4-one, 6-amino- 1,3-dichloro-5..."	"NC1CC(=O)c2c(Cl)sc(Cl)c12"	0	NA	NA	2	2	"509880"	NA
"662123"	662123	"N-[3-Bromo-6-oxo-1-(4-phenylpiperidin-1-yl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)NC1CC(=O)c2c(sc(Br)c12)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	"378804"	NA
"662124"	662124	"acetamide, n-(1,3,5-tribromo-5,6-dihydro-4-oxo-4h-cyclop..."	"FC(F)(F)C(=O)N[C@H]1C(Br)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	1	"509884"	NA
"662126"	662126	"N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide"	"O\N=C/1\CC(NC(=O)C(F)(F)F)c2c(Br)sc(Br)c12"	0	""	""	1	1	"5880315"	NA
"662133"	662133	"Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	"COc1cc2OC3(CCCCC3)C=Cc2c4N(C)c5ccccc5C(=O)c14"	0	""	""	2	2	"378815"	NA
"662158"	662158	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6cccc(Cl)c6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	"6712240"	NA
"662160"	662160	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(F)cc7)C(=C1C5(C)C)C"	0	""	""	2	2	"6712242"	NA
"662161"	662161	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CCCCOC(=O)NC(C(O)C(=O)OC1C[C@@]2(O)C(OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	""	""	2	2	"6712243"	NA
"662189"	662189	"2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol"	"COc1ccc2nc3cccc(c3c(NCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"378849"	NA
"662191"	662191	"9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"COc1ccc2nc3cccc(c3c(NCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"378851"	NA
"662192"	662192	"9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"CCN(CC)CCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	"378852"	NA
"662193"	662193	"acridine-9-amine, n-(3-aminopropyl)-1-nitro-"	"NCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	"378853"	NA
"662199"	662199	"17-n-Propylamino-geldanamycin"	"CCCNC1=C2CC(C)CC(OC)[C@@H](O)[C@H](C)\C=C(/C)\C(OC(=O)N)C(OC)\C=C/C=C(\C)/C(=O)NC(=CC1=O)C2=O"	0	""	""	3	2	"5472884"	NA
"662251"	662251	"benzothiazole,2-(4-n-n-dimethylamino-3-methoxystyryl),me..."	"COc1cc(\C=C\c2sc3ccccc3[n+]2C)ccc1N(C)C"	0	""	""	2	2	"6518097"	NA
"662252"	662252	"Ammonia; dichloroplatinum; quinoline"	"[NH3+][Pt+2]([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	""	""	1	1	"499153"	NA
"662253"	662253	"Ammonia; dichloroplatinum; isoquinoline"	"[NH3+][Pt+2]([ClH-])([ClH-])[n+]1ccc2ccccc2c1"	0	""	""	2	1	"499154"	NA
"662254"	662254	""	"[NH3+][Pt+4]([O-])([O-])([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	NA	NA	1	1	"581926"	NA
"662258"	662258	""	"CS(=O)(C)[Pt+2]([NH3+])([ClH-])[n+]1ccc2ccccc2c1.[O-][N+](=O)[O-]"	0	NA	NA	1	1	"581930"	NA
"662259"	662259	""	"[NH3+][Pt+4]([O-])([ClH-])([ClH-])([ClH-])[n+]1cccc2C=C=C=Cc12"	0	NA	NA	1	1	"581931"	NA
"662302"	662302	"4-Nitro-9H-thioxanthen-9-one 10,10-dioxide"	"[O-][N+](=O)c1cccc2C(=O)c3ccccc3S(=O)(=O)c12"	0	""	""	2	2	"378894"	NA
"662303"	662303	"(-)-ent-Bullatacin"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	1	1	"6712244"	NA
"662304"	662304	"Fluoroanilino-azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)[C@H](Nc4ccc(F)cc4)c5c2[nH]c6ccccc56"	0	""	""	1	1	"378896"	NA
"662305"	662305	"Cyanoanilino-azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)[C@H](Nc4ccc(cc4)C#N)c5c2[nH]c6ccccc56"	0	""	""	2	2	"378897"	NA
"662306"	662306	"Methyl-azatoxin"	"COc1cc(cc(OC)c1OC)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	""	""	3	2	"378898"	NA
"662372"	662372	"2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine"	"CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)cc1"	0	""	""	2	2	"378901"	NA
"662375"	662375	"2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin"	"CC(C)(CO)NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	"378904"	NA
"662376"	662376	"2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin"	"NC(=O)[C@H](Cc1ccc(O)cc1)NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"6712245"	NA
"662378"	662378	"2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N[C@@H](Cc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	1	1	"6712246"	NA
"662380"	662380	"2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide"	"C[C@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"6712248"	NA
"662381"	662381	"7-Chloro-6-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3ncccc3C2=O"	0	""	""	3	1	"378910"	NA
"662382"	662382	"6-Chloro-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3cccnc3C2=O"	0	""	""	1	1	"378911"	NA
"662383"	662383	"2-bromo-5,8-dihydroxy-3-methyl-1,4-naphthoquinone"	"CC1=C(Br)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	"378912"	NA
"662424"	662424	"2-(4-n-n-dimethylaminostyryl)-3-methyl iodide"	"CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1"	0	NA	NA	2	2	"509987"	NA
"662425"	662425	"3,4-dihydro-3,3-dimethyl-2h-naphtho[2,3-b]pyran-5,10-dione"	"CC1(C)COC2=C(C1)C(=O)c3ccccc3C2=O"	0	""	""	2	1	"178515"	NA
"662440"	662440	"LS-128970"	"COC(=O)C1=Nc2c(C)nn(c3ccccc3)c2N=C(C1)c4ccccc4"	0	""	""	1	1	"378932"	NA
"662457"	662457	"N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide"	"CC(NNC(=O)CC(=O)N(C(=O)c1ccccc1)c2ccc(Cl)cc2)C3=Cc4ccccc4OC3=O"	0	""	""	1	1	"378949"	NA
"662553"	662553	"pyrazolo[3,4-d][1]benzazepin-5-one, 1,4,5,6-tetrahydro-3..."	"Cc1nn(c2ccccc2)c3c1CC(=O)Nc4ccccc34"	0	""	""	3	2	"378957"	"106148112"
"662561"	662561	"Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1c(Br)c(c(Br)n1C)c2ccc(OC)cc2"	0	""	""	2	1	"378969"	NA
"662564"	662564	"1h-pyrrole-2-carboxylic acid, 4-(4-bromophenyl)-3,5-dibr..."	"CCOC(=O)c1[nH]c(Br)c(c1Br)c2ccc(Br)cc2"	0	""	""	2	2	"378972"	NA
"662565"	662565	"Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1[nH]c(Br)c(c1Br)c2ccc(OC)c(OC)c2"	0	""	""	3	3	"378973"	NA
"662566"	662566	"LPOQYIAWZPQUSJ-UHFFFAOYSA-N"	"CCOC(=O)c1ccc([nH]1)c2ccc(Cl)cc2"	0	""	""	1	1	"378974"	NA
"662571"	662571	"Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(Cl)cc2)c([N+](=O)[O-])n1C"	0	""	""	1	1	"378979"	NA
"662572"	662572	"ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(OC)cc2)c([nH]1)[N+](=O)[O-]"	0	""	""	2	1	"378980"	NA
"662573"	662573	"ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(cc2)[N+](=O)[O-])c([nH]1)[N+](=O)[O-]"	0	""	""	1	1	"378981"	NA
"662574"	662574	"GHCXKSUSPXYUSB-UHFFFAOYSA-N"	"CCOC(=O)c1c(c(C)cn1C)c2ccccc2"	0	""	""	1	1	"378982"	NA
"662579"	662579	"3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid"	"CCC1=C(C(=O)O)c2c(oc3cc4ccccc4cc23)C(=O)N1"	0	""	""	1	1	"378987"	NA
"662774"	662774	"1-[(2-Cyanoethyl)(methyl)amino]-2-diazonio-3-oxobut-1-en-1-olate"	"CN(CCC#N)C(=O)C(=[N+]=[N-])C(=O)C"	0	""	""	1	1	"379006"	NA
"662775"	662775	"4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate"	"[N-]=[N+]=C(C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	"379008"	NA
"662778"	662778	"5-(Benzoyloxy)-7-methyl-3-octynyl benzoate"	"CC(C)CC(OC(=O)c1ccccc1)C#CCCOC(=O)c2ccccc2"	0	""	""	1	1	"379014"	NA
"662781"	662781	"benzene, 1,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis"	"O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	3	3	"5468033"	NA
"662784"	662784	"[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene"	"O=S(\C=C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	2	2	"5468034"	NA
"662788"	662788	"2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone"	"C=C=C(CC1CCCCC1=O)S(=O)(=O)c2ccccc2"	0	""	""	2	2	"379026"	NA
"662794"	662794	"2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline"	"COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC"	0	""	""	2	1	"379032"	NA
"662797"	662797	"1h-pyrido[2,3-e][1,2,4][triazepin-1-one, 4-amino-2,3-dih..."	"NC1=Nc2ncccc2C(=O)NN1"	0	""	""	1	1	"379035"	NA
"662809"	662809	"3,6-dibromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Br)(CCl)C(=C)Cl"	0	""	""	4	2	"379036"	NA
"662816"	662816	"6,7-dibromo-3,7-dimethyl-2-octenyl acetate"	"CC(=O)OC\C=C(/C)\CCC(Br)C(C)(C)Br"	0	""	""	1	1	"5468040"	NA
"662825"	662825	"halomon (racemic)"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	5	4	"510111"	"58086843"
"663008"	663008	"[6-[[(8R,10S)-3-acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"COC(C)(C)C(O)C(O)CC(C)C1CC=C2C1(C)CCC3[C@@]4(C)CCC(OC(=O)C)C(C)(C)C4CC(OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	1	1	"6712254"	NA
"663245"	663245	""	"COC(=O)\C=C(/S\C=C(/N1CCn2c1c(C(=O)OC)c(C(=O)OC)c2C(=O)c3ccccc3)\c4ccccc4)\C(=O)OC"	0	NA	NA	1	1	"510129"	NA
"663249"	663249	"Triapine"	"NC(=S)N\N=C\c1ncccc1N"	0	"Dr|CC"	"Clinical trial"	2	2	"-1"	"143621356"
"663281"	663281	"6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione"	"ClC1=C(N2CCOCC2)C(=O)c3cccnc3C1=O"	0	""	""	2	2	"379074"	NA
"663284"	663284	"7-n-(aminoethyl-4-morpholino)-6-chloro-5,8-quinolinedione"	"ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O"	0	""	""	2	1	"379077"	"383907435"
"663285"	663285	"6-n-(aminoethyl-2-(4-morpholino))-6-chloro-5,8-quinoline..."	"ClC1=C(NCCN2CCOCC2)C(=O)c3cccnc3C1=O"	0	""	""	1	1	"379078"	NA
"663286"	663286	"7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione"	"FCCNC1=C(Cl)C(=O)c2ncccc2C1=O"	0	""	""	1	1	"379079"	NA
"663287"	663287	"7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione"	"ClC1=C(N2CCN(CC2)c3ccccn3)C(=O)c4cccnc4C1=O"	0	""	""	2	2	"379080"	NA
"663289"	663289	"2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)NCCCN3CCOCC3"	0	""	""	1	1	"379081"	NA
"663290"	663290	"2-chloro-3-n-(2'-(r)-hydroxymethylpyrrolidino)-naphthaza..."	"OC[C@H]1CCCN1C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	1	"379082"	NA
"663291"	663291	"2-chloro-3-n-(2'-(s)-hydroxymethylpyrrolidino)-naphthaza..."	"OC[C@@H]1CCCN1C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	"379083"	NA
"663292"	663292	"6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione"	"FCCNC1=C(Cl)C(=O)c2cccnc2C1=O"	0	""	""	1	1	"379084"	NA
"663309"	663309	"Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate"	"CCOC(=O)\C=C\CC(C)(C)COC(=O)C"	0	""	""	1	1	"5468052"	NA
"663315"	663315	"bis(2-chloroethyl)-n-methyl-n-(5-methoxy-2-nitrobenzyl) ..."	"COc1ccc(c(C[N+](C)(CCCl)CCCl)c1)[N+](=O)[O-]"	0	""	""	1	1	"379103"	NA
"663321"	663321	"3-Demethyl-3-ethoxycarbonylthiocolchicine"	"CCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	3	"379107"	NA
"663322"	663322	"3-Demethyl-3-butyrylthiocolchicine"	"CCCC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	3	"379108"	NA
"663323"	663323	"3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine"	"CCOC(=O)Oc1cc2CCC(NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	2	"379109"	NA
"663328"	663328	"5,14-Dimethylnaphtho[2',3':4,5]imidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2c(C)n3c4cc5ccccc5cc4nc13"	0	""	""	1	1	"379114"	NA
"663331"	663331	"11-Methylbenzimidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2cc3nc4ccccc4n13"	0	""	""	1	1	"379117"	NA
"663334"	663334	"7-methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole"	"COc1ccc2[nH]c3c(C)c4cnccc4c(C)c3c2c1"	0	""	""	1	1	"379120"	NA
"663336"	663336	""	"Cc1c2cnccc2c(C)c3c4cc(O)ccc4[nH]c13"	0	""	""	1	1	"379122"	NA
"663337"	663337	"5,11-dimethyl-10H-pyrido[2,3-b]carbazol-7-ol"	"Cc1c2cccnc2c(C)c3[nH]c4ccc(O)cc4c13"	0	""	""	4	2	"379123"	NA
"663408"	663408	"9-chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one"	"CC1(C)Oc2cc(O)c3C(=O)c4cc(Cl)ccc4Nc3c2C=C1"	0	""	""	1	1	"5468057"	NA
"663422"	663422	"7-Nitro-1-benzoxepine-3,5-dione"	"[O-][N+](=O)c1ccc2OCC(=O)CC(=O)c2c1"	0	""	""	1	1	"379143"	NA
"663567"	663567	"15-Tert-butyl-20-deoxyvinblastine"	"CCC1CN2CCc3c([nH]c4ccccc34)[C@@](C[C@@H](C2)[C@@H]1C(C)(C)C)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(C(=O)OC)C8(CC)C=CCN9CCC67C89)C(=O)OC"	0	NA	NA	2	2	"510214"	NA
"663570"	663570	"1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate"	"CCOC(=O)C12CCC(O1)(C(=C2C(=O)OC)C(=O)OC)c3c(C)cccc3C"	0	""	""	2	2	"379156"	NA
"663586"	663586	"1-(1-Benzoylpyrrolidin-2-yl)-2-diazonioethenolate"	"[N-]=[N+]=CC(=O)C1CCCN1C(=O)c2ccccc2"	0	""	""	1	1	"379174"	NA
"663589"	663589	"1-[(Cyanomethyl)amino]-2-diazonio-3-oxobut-1-en-1-olate"	"CC(=O)C(=[N+]=[N-])C(=O)NCC#N"	0	""	""	1	1	"379180"	NA
"663592"	663592	"Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate"	"COC(=O)CCC1=NCC(C)(C)O1"	0	""	""	1	1	"379184"	NA
"663593"	663593	"Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate"	"COC(=O)c1ccccc1C#CC#Cc2ccccc2C(=O)OC"	0	""	""	1	1	"379185"	NA
"663597"	663597	"3-Allyl-1-benzyl-3-methyl-2-piperidinone"	"CC1(CC=C)CCCN(Cc2ccccc2)C1=O"	0	""	""	1	1	"379189"	NA
"663623"	663623	"LS-155333"	"Clc1nc(Cl)nc(Nc2cccc3ccccc23)n1"	0	""	""	2	1	"35300"	NA
"663627"	663627	"LS-152630"	"N#CSCC1COc2ccccc2O1"	0	""	""	1	1	"379213"	NA
"663663"	663663	"1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"379249"	NA
"663664"	663664	"3-[(E)-2-nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole"	"[O-][N+](=O)\C=C\c1cn(CCCCCCCCn2cc(\C=C\[N+](=O)[O-])c3ccccc23)c4ccccc14"	0	""	""	1	1	"5468067"	NA
"663666"	663666	"5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone"	"O=C1C=CC(=O)c2c1c3C(=O)c4ccccc4C(=O)c3c5c6ccccc6[nH]c25"	0	""	""	1	1	"379252"	NA
"663668"	663668	""	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(Cl)cc4)c5[nH]c6ccccc6c25"	0	NA	NA	1	1	"510311"	NA
"663774"	663774	"5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2ccccc2)C#N"	0	""	""	1	1	"379268"	NA
"663777"	663777	"5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2ccc(Cl)cc2)C#N"	0	""	""	1	1	"379271"	NA
"663778"	663778	"5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2cccc3ccccc23)C#N"	0	""	""	1	1	"379272"	NA
"663782"	663782	"(3Z)-3-[(3,4-dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione"	"COc1ccc(\C=C/2\C(=O)C(N(C2=O)c3ccccc3)c4ccccc4)cc1OC"	0	""	""	1	1	"5468074"	NA
"663790"	663790	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"379284"	NA
"663791"	663791	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"379285"	NA
"663792"	663792	"[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(CC1OC(=O)CCC)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"379286"	NA
"663918"	663918	""	"CC1(C)N=C(\C(=[N+](\[O-])/C(=O)c2ccc(F)cc2)\Cl)C(C)(C)N1O"	0	NA	NA	1	1	"510417"	NA
"663921"	663921	"TMIO"	"CC1=NC(C)(C)[N+](=C1)[O-]"	0	""	""	1	1	"379378"	NA
"663926"	663926	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-"	"Oc1c(cc(c2cc(N3CCCCC3)c(O)c4ccccc24)c5ccccc15)N6CCCCC6"	0	""	""	1	1	"379384"	NA
"663939"	663939	""	"CC1(C)N=C(\C(=[N+](\[O-])/C(=O)c2ccc(Cl)cc2)\Cl)C(C)(C)N1O"	0	NA	NA	1	1	"510438"	NA
"663950"	663950	"C6H6N4O5"	"[O-][N+](=O)C1(CCCc2nonc12)[N+](=O)[O-]"	0	""	""	1	1	"379408"	NA
"663954"	663954	"STK527948"	"Cc1onc(C)c1N=Nc2ccc3nonc3c2N"	0	""	""	1	1	"379412"	NA
"663961"	663961	"STK834836"	"COC1(OC)C(O)CCc2c1no[n+]2[O-]"	0	""	""	1	1	"379419"	NA
"663963"	663963	"4',4'-Dinitro-1'-oxidospiro[1,3-dioxolane-2,6'-5,7-dihydro-2,1,3-benzoxadiazol-1-ium]"	"[O-][N+](=O)C1(CC2(Cc3c1no[n+]3[O-])OCCO2)[N+](=O)[O-]"	0	""	""	1	1	"379421"	NA
"663965"	663965	"STL321271"	"[O-][n+]1onc2CCc3nonc3c12"	0	""	""	1	1	"379423"	NA
"663966"	663966	"7h-[1,2,3]triazolo[4,5-e]-2,1-3-benzoxadiazole, 7-phenyl..."	"[O-][n+]1onc2c1ccc3nn(nc23)c4ccccc4"	0	""	""	3	3	"379424"	NA
"663968"	663968	""	"CC(=O)O\N=C\1/C=Cc2c(no[n+]2[O-])C1=O"	0	NA	NA	1	1	"510467"	NA
"663970"	663970	""	"COc1ccc(CNC(=N)N)c2ccccc12"	0	NA	NA	1	1	"510469"	NA
"663979"	663979	"LS-87642"	"CCCCCCCCCCCC(=O)NCc1ccc(OC(=O)CCCCCCCCCCC)c(OC)c1"	0	""	""	2	2	"379433"	NA
"663984"	663984	"MCK101562"	"Oc1ccc2ccccc2c1C=C(C#N)C#N"	0	""	""	2	1	"58850"	NA
"663991"	663991	"11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate"	"COc1cc(CNC(=O)CCCCCCCCCCSC#N)ccc1O"	0	""	""	1	1	"379443"	NA
"663992"	663992	"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone"	"OC(C1CCc2ccccc2C1=O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"379444"	NA
"663997"	663997	"2-[(2E)-2-(dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	"CN(C)\N=C\1/C=C(C)CC(C)(C)C1C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"9571443"	NA
"663998"	663998	"2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one"	"O=C1NC(=S)NN1C(=S)N2NC(=S)NC2=O"	0	""	""	1	1	"3004933"	NA
"663999"	663999	"1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]propan-2-ol"	"Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)cc(CC(O)(C(F)(F)F)C(F)(F)F)n1"	0	""	""	1	1	"379450"	NA
"664000"	664000	"Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate"	"COC(=O)CN1CCN(CC1)c2cccc3CCCCc23"	0	""	""	1	1	"379451"	NA
"664004"	664004	"LS-19726"	"COc1ccc(OC)c(NC2=NCCO2)c1"	0	""	""	1	1	"58910"	NA
"664017"	664017	"1'-Acetyl-2-methylspiro[3H-pyrrole-5,4'-3H-quinoline]-2',4-dione"	"CC(=O)N1C(=O)CC2(N=C(C)CC2=O)c3ccccc13"	0	""	""	1	1	"379464"	NA
"664020"	664020	"(2E)-4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole"	"[O-][N+](=O)c1ccc(CSC2=C(S\C(=C\3/SC(=C(S3)c4ccc(Cl)cc4)SCc5ccc(cc5)[N+](=O)[O-])\S2)c6ccc(Cl)cc6)cc1"	0	""	""	1	1	"3004934"	NA
"664025"	664025	"6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid"	"OC(=O)COCC(=O)N(CCOCCN(Cc1ccccc1)C(=O)COCC(=O)O)Cc2ccccc2"	0	""	""	1	1	"379471"	NA
"664150"	664150	"bis(2-chloroethyl)-n-methyl-n[(8-nitro-1-naphthyl)-methy..."	"C[N+](CCCl)(CCCl)Cc1cccc2cccc(c12)[N+](=O)[O-]"	0	""	""	1	1	"379487"	NA
"664161"	664161	"(1S,4aS,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid"	"COc1cc(\C=C\C(=O)OCC23CC[C@]4(CCC(C)[C@H](C)C4C2=CCC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]35C)C(=O)O)ccc1O"	0	""	""	1	1	"5459259"	NA
"664162"	664162	""	"COc1ccc(\C=N\NC(=N)NO)c(O)c1"	0	NA	NA	1	1	"510550"	NA
"664164"	664164	""	"ONC(=N)N\N=C\c1cc(I)cc(I)c1O"	0	NA	NA	1	1	"510552"	NA
"664165"	664165	""	"ONC(=N)N\N=C\c1cnc2cc(ccc2c1O)C(F)(F)F"	0	NA	NA	1	1	"510553"	NA
"664167"	664167	"6-Methoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(OC)ccc3N2"	0	""	""	3	2	"379510"	NA
"664168"	664168	"2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one"	"COc1ccc2NC(=CC(=O)c2c1)c3cccc(c3)N(C)C"	0	""	""	3	2	"379511"	NA
"664169"	664169	"2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCOCC4"	0	""	""	3	3	"379512"	NA
"664170"	664170	"2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)quinolin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCN(C)CC4"	0	""	""	3	3	"379513"	NA
"664171"	664171	"4(1h)-quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	"379514"	NA
"664172"	664172	""	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N(C)C"	0	NA	NA	3	3	"510560"	NA
"664173"	664173	"4-(1H)Quinolinone, 2-(3-methoxyphenyl)-6-(dimethylamino)-"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N(C)C"	0	NA	NA	3	3	"510561"	NA
"664177"	664177	"LS-95858"	"C1CCc2cc(NC3=NCCO3)ccc2C1"	0	""	""	4	2	"379519"	NA
"664180"	664180	""	"CCNc1cc2CCCN3CCCc(c1)c23"	0	NA	NA	1	1	"510568"	NA
"664181"	664181	"LS-58067"	"OC(C1CCC(C1=O)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"379524"	NA
"664185"	664185	"N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine"	"CN1C=COC1N=C2CCCCC2"	0	""	""	1	1	"379525"	NA
"664188"	664188	"Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate"	"O=C(NCCOC(=O)OCCNC(=O)NC1CCCCC1)NC2CCCCC2"	0	""	""	1	1	"379526"	NA
"664190"	664190	"LS-95822"	"Cc1cc(NC2=NCCO2)c3CCCCc3c1C"	0	""	""	1	1	"53736"	NA
"664193"	664193	"4,4,4-Trifluoro-3-hydroxy-1-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)butan-1-one"	"Cc1ccc(cc1[N+](=O)[O-])C(=O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"379529"	NA
"664206"	664206	"1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole"	"CSc1c(c2ccccc2n1C)S(=O)C"	0	""	""	1	1	"379533"	NA
"664212"	664212	"mitorubrinic acid"	"Cc1cc(O)cc(O)c1C(=O)O[C@]2(C)C(=O)C=C3C=C(OC=C3C2=O)\C=C\C(=O)O"	0	NA	NA	1	1	"510588"	NA
"664213"	664213	"Chlorotetrangulol"	"Oc1cccc2C(=O)c3c(ccc4cc(CCl)cc(O)c34)C(=O)c12"	0	""	""	1	1	"379538"	NA
"664214"	664214	"hydroxymethoxytetrangulol"	"COc1cccc2C(=O)c3c(ccc4cc(CO)cc(O)c34)C(=O)c12"	0	""	""	2	2	"379539"	NA
"664215"	664215	"chloro-methoxy-tetrangulol"	"COc1cccc2C(=O)c3c(ccc4cc(CCl)cc(O)c34)C(=O)c12"	0	""	""	2	2	"379540"	NA
"664217"	664217	"4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol"	"COC1(OC)C=CC(O)(C=C1)c2ccccc2C=C"	0	""	""	1	1	"379541"	NA
"664221"	664221	"2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one"	"CCN(CC)CCOc1ccc(cc1)N2Cc3cc(OC)c(OC)cc3C2=O"	0	""	""	1	1	"379545"	NA
"664228"	664228	"2-(4-Hydroxyphenyl)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione"	"COc1cc2C(=O)N(C(=O)c2cc1OC)c3ccc(O)cc3"	0	""	""	1	1	"379552"	NA
"664231"	664231	"N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin"	"CCOCC(=O)N[C@H]1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	3	2	"379556"	NA
"664238"	664238	"6-(3-diethylaminopropylaminopropylamino)-8-methoxy-11-h-..."	"CCN(CC)CCCNc1nc2ccccc2c3[nH]c4ccc(OC)cc4c13"	0	NA	NA	1	1	"510609"	NA
"664262"	664262	"1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione"	"OC(CC(=O)CCC(=O)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"379574"	NA
"664263"	664263	"LS-12875"	"COc1cc(ccc1OCc2ccccc2)C(C[N+](=O)[O-])SC(=O)C"	0	""	""	2	2	"59622"	NA
"664264"	664264	"S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate"	"CC(=O)SC(C[N+](=O)[O-])c1ccc2OCOc2c1"	0	""	""	3	2	"379575"	NA
"664266"	664266	"5-[1-(Benzylsulfanyl)-2-nitroethyl]-1,3-benzodioxole"	"[O-][N+](=O)CC(SCc1ccccc1)c2ccc3OCOc3c2"	0	""	""	2	2	"379577"	NA
"664267"	664267	"N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide"	"COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O"	0	""	""	1	1	"3004936"	NA
"664271"	664271	"4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile"	"CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"379582"	NA
"664277"	664277	"2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole"	"C1CN=C(O1)c2cccc3sccc23"	0	""	""	1	1	"379587"	NA
"664279"	664279	"LS-20415"	"C1CN=C(Nc2cccc3cc4ccccc4cc23)O1"	0	""	""	1	1	"379588"	NA
"664282"	664282	"N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine"	"CSc1nc(C)cc(n1)N(C)c2ccccc2"	0	""	""	1	1	"379591"	NA
"664285"	664285	"LS-19886"	"C1CN=C(Nc2ccc3OCOc3c2)O1"	0	""	""	2	1	"33632"	NA
"664290"	664290	"4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol"	"COc1ccc(cc1)C(O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"379596"	NA
"664303"	664303	"acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)-3-(2-qu..."	"CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"379602"	NA
"664304"	664304	"LS-149336"	"CCC(NC1=NCCO1)c2cccs2"	0	""	""	1	1	"215268"	NA
"664311"	664311	"benzothiazole, 2-[2,2-bis(trifluoromethyl)ethenyl]-5,6-d..."	"Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C"	0	""	""	4	2	"379609"	NA
"664313"	664313	"LS-74476"	"OC(CC(=O)C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"59101"	NA
"664314"	664314	"Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester"	"CC(=O)OC12CC(OC1(CC(O2)(C(F)(F)F)C(F)(F)F)OC(=O)C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"379610"	NA
"664316"	664316	"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole"	"Cc1cc2oc(CC(C(F)(F)F)C(F)(F)F)nc2cc1C"	0	""	""	3	2	"379612"	NA
"664323"	664323	"acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)- 3-[4-[..."	"CC(=O)OC(Cc1cc(C=C(C(F)(F)F)C(F)(F)F)cc(C)n1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"379616"	NA
"664334"	664334	""	"CS(=O)(=O)C(=Cc1ccccc1Cl)S(=O)(=O)C"	0	NA	NA	3	2	"510700"	NA
"664342"	664342	"9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,6,8,9,9a-hexahydroxanthene-1,5-dione"	"CC1(C)CC(=O)C2=C(C1)C(C3C(=O)CC(C)(C)CC3(O)O2)c4ccccc4Cl"	0	""	""	2	2	"379634"	NA
"664343"	664343	"(E,4Z)-6-(2,2-Dimethylcyclohexyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-2-ol"	"CC1(C)CCCCC1\C=C\C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"5807779"	NA
"664344"	664344	"3,3,7,7-tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione"	"CC1(C)CC(=O)C2=C(C1)OC3=C(CC(C)(C)CC3=O)C2c4ccccc4[N+](=O)[O-]"	0	""	""	1	1	"379636"	NA
"664345"	664345	"9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione"	"CC1(C)CC(=O)C2=C(C1)OC3=C(CC(C)(C)CC3=O)C2c4ccccc4Cl"	0	""	""	1	1	"379637"	NA
"664401"	664401	"[(1S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"COc1ccc(cc1)[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]3C[C@@]4(O)C(OC(=O)c5ccccc5)C6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	""	""	2	2	"379641"	NA
"664402"	664402	"[(1S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)[C@@H](NC(=O)C(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"6712269"	NA
"664403"	664403	"[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)CC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	""	""	2	2	"6712270"	NA
"664404"	664404	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(C)CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	"TUBB"	""	2	2	"6712271"	NA
"664408"	664408	"(5Z)-5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole"	"COc1ccc(cc1)N2N=NN(C(C)C)/C/2=C(/Cl)\c3nnnn3c4ccc(OC)cc4"	0	""	""	2	2	"3004937"	NA
"664526"	664526	"5-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	"CCN(CC)CCC1CCCCN1CC(=O)N2C(C)CC(=O)Nc3ccccc23"	0	""	""	1	1	"379649"	NA
"664529"	664529	"Otenzepad"	"CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24"	0	""	""	1	1	"107867"	NA
"664530"	664530	"11-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one"	"CCN(CC)CCC1CCCCN1CC(=O)N2c3ccccc3NC(=O)c4ccccc24"	0	""	""	1	1	"379652"	NA
"664541"	664541	""	"O\N=C\1/CSc2ccccc2C1"	0	NA	NA	1	1	"510739"	NA
"664542"	664542	""	"Cl\C=C(\Cl)/CSC#N.Cl\C=C(/Cl)\CSC#N"	0	NA	NA	1	1	"510740"	NA
"664550"	664550	"N-acetonyl-N'-(2,4-dinitroanilino)acetamidine"	"CC(=O)CN\C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\C"	0	""	""	1	1	"3840075"	NA
"664556"	664556	""	"ONC(=N)N\N=C\c1ccc2OCOc2c1"	0	NA	NA	1	1	"510754"	NA
"664558"	664558	""	"COc1ccc(\C=N\NC(=N)NO)c(OC)c1OC"	0	NA	NA	1	1	"510756"	NA
"664559"	664559	""	"COc1cc(OC)c(\C=N\NC(=N)NO)c(OC)c1"	0	NA	NA	1	1	"510757"	NA
"664563"	664563	"Ethyl 2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine-1-carboxylate"	"CCOC(=O)N1C(C)C(C)C=C(C)c2ccccc12"	0	""	""	1	1	"379688"	NA
"664566"	664566	"1,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-1-benzazepine-2-carbonitrile"	"CC1CC(C)c2ccccc2N(C)C1C#N"	0	""	""	1	1	"379691"	NA
"664570"	664570	"(6As,13aS)-6a,8-dimethyl-5,6a,7,8,13,13a-hexahydro-6H-quino[4,3-b][1]benzazepin-6-one"	"CC1C[C@@]2(C)[C@@H](Nc3ccccc13)c4ccccc4NC2=O"	0	""	""	1	1	"379697"	NA
"664571"	664571	"(6aS,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione"	"CC1C[C@@]2(C)[C@@H](Nc3ccccc13)c4ccccc4NC2=S"	0	""	""	1	1	"5468128"	NA
"664572"	664572	"(3S,5S)-1,3,5-trimethyl-N-phenyl-4,5-dihydro-3H-1-benzazepin-2-imine"	"C[C@H]1C[C@H](C)c2ccccc2N(C)/C/1=N\c3ccccc3"	0	""	""	1	1	"379699"	NA
"664579"	664579	"NNZSFLLODLQQBM-UHFFFAOYSA-"	"CC(=O)c1ccc(Br)cc1NC2=CC(=O)c3ncccc3C2=O"	0	""	""	1	1	"379706"	NA
"664683"	664683	"(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide"	"[O-][N+](=O)c1cc(\C=N\C23CC4CC(CC(C4)C2)C3)ccc1Cl"	0	""	""	2	2	"379708"	NA
"664684"	664684	"(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide"	"[O-][N+](=O)c1ccc(Cl)cc1\C=N\C23CC4CC(CC(C4)C2)C3"	0	""	""	3	3	"379709"	NA
"664685"	664685	"4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole"	"Clc1cccc(Cl)c1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"379710"	NA
"664686"	664686	"4-(1-adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1cc(ccc1Cl)C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"379711"	NA
"664687"	664687	"4-(1-adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(Cl)cc1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"379712"	NA
"664690"	664690	"2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-"	"CN(C)C1COC2Cc3ccccc3C1O2"	0	""	""	1	1	"379715"	NA
"664692"	664692	""	"CN(C)CC1COC2Cc3ccccc3C1O2"	0	NA	NA	1	1	"510788"	NA
"664697"	664697	""	"NC(=O)\N=C\1/NCCC(=O)N1CCc2c[nH]c3ccccc23"	0	NA	NA	1	1	"510793"	NA
"664700"	664700	"8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine"	"Nc1c(Cl)c(cc2OCCCCOc12)[N+](=O)[O-]"	0	""	""	1	1	"379726"	NA
"664701"	664701	"7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene"	"[O-][N+](=O)c1cc2OCCCCOc2c3nonc13"	0	""	""	1	1	"379727"	NA
"664704"	664704	"Kenpaullone"	"Brc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	2	2	"3820"	"142273209"
"664707"	664707	"1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid"	"CC(C)(C)CC(C)(C)N\C(=N\O)\N"	0	""	""	2	1	"379731"	NA
"664710"	664710	"Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate"	"COC(=O)c1c(C(=O)OC)c2ccccn2c1c3cc(C)cc4C(=O)C=CC(=O)c34"	0	""	""	2	1	"379736"	NA
"664716"	664716	"AO-476/14512029"	"Cc1nc2ccc(Cl)cc2c3SCCc13"	0	""	""	1	1	"379744"	NA
"664718"	664718	"AE-406/41056984"	"Cc1nc2ccc(Cl)cc2c3N(CCc13)c4ccc(F)cc4"	0	""	""	1	1	"379746"	NA
"664722"	664722	"AO-476/43415863"	"Cc1nn(C2=NC3=C(CCC3)C(=O)N2)c(O)c1CCO"	0	""	""	1	1	"135409193"	NA
"664728"	664728	"7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine"	"CSc1nc(C)c2CCN(c3ccc(Cl)cc3)c2n1"	0	""	""	1	1	"379756"	NA
"664729"	664729	"2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline"	"Cc1nc2ccccc2c(c1CCn3cccn3)n4cccn4"	0	""	""	1	1	"379757"	NA
"664741"	664741	"(3E)-3-[9-anthryl(chloro)methylene]isobenzofuran-1-one"	"Cl\C(=C/1\OC(=O)c2ccccc12)\c3c4ccccc4cc5ccccc35"	0	""	""	1	1	"3004941"	NA
"664742"	664742	"(e/z)-2-iodo-2-(2'-methylcyclopentylidene)-1-phenylethanone"	"CC1CCC/C/1=C(/I)\C(=O)c2ccccc2"	0	""	""	1	1	"3004942"	NA
"664870"	664870	""	"Oc1ccccc1\C=N\NC(=O)CC(=O)N(C(=O)c2ccccc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"510855"	NA
"664874"	664874	""	"[O-][N+](=O)c1cccc(c1)N=NC2C(=O)N(N=C2c3ccccc3)C(=O)CC(=O)N(C(=O)\C=C/c4ccccc4)c5ccc(Cl)cc5"	0	NA	NA	1	1	"510859"	NA
"664878"	664878	""	"COc1cc2CC\C(=C/c3ccccc3)\C(=O)c2cc1OC"	0	NA	NA	1	1	"510861"	NA
"664885"	664885	""	"Nc1ncnc2c1ncn2C3CC(COS(=O)(=O)N)C=C3"	0	NA	NA	1	1	"510868"	NA
"664890"	664890	""	"NS(=O)(=O)OCC1CC(C=C1)n2nnc3C(=N)NC=Nc23"	0	NA	NA	1	1	"510873"	NA
"664904"	664904	"KEXRVLPIWYCEPT-UHFFFAOYSA-N"	"CC1=C(Nc2ccc(Cl)cc2C1=O)c3ccccc3"	0	""	""	1	1	"379804"	NA
"664906"	664906	"6-Chloro-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile"	"Clc1ccc2NC(=C(C#N)C(=O)c2c1)c3ccccc3"	0	""	""	1	1	"379806"	NA
"664946"	664946	"2-[(z)-bromoiodomethylidene]-1,8,8-trimethylbicyclo[3.2...."	"CC1(C)C2CCC1(C)\C(=C(/Br)\I)\C(=O)C2"	0	NA	NA	1	1	"510896"	NA
"664947"	664947	"N'-carbazol-9-yl-N,N-dimethyl-formamidine"	"CN(C)\C=N\n1c2ccccc2c3ccccc13"	0	""	""	1	1	"9556163"	NA
"664948"	664948	"LS-56135"	"FC1=C2CCCCCC2SC1(F)F"	0	""	""	1	1	"58509"	NA
"664951"	664951	"LS-41225"	"CC12CCCCC1=C(F)C(F)(F)S2"	0	""	""	3	2	"57787"	NA
"664958"	664958	"LS-70405"	"O\N=C/1\COC(C1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"5870156"	NA
"664975"	664975	"HGHUIMUBLYEQDT-UHFFFAOYSA-N"	"CC(NC1=NCCO1)c2ccccc2Cl"	0	""	""	1	1	"379843"	NA
"664976"	664976	"hexachloro(tetrafluoro)[?]"	"FC1(F)SC2C(C1(F)F)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl"	0	""	""	2	2	"379844"	NA
"664993"	664993	"4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide"	"COc1ccccc1N2CCN(CCCNC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2"	0	""	""	1	1	"379857"	NA
"665001"	665001	""	"COc1cc(cc(OC)c1OC)C2NCCC(N2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"510949"	NA
"665004"	665004	"1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine"	"C(N1CCC(CC1)(Nc2ccccc2)c3nnnn3Cc4ccccc4)c5ccccc5"	0	""	""	1	1	"379867"	NA
"665033"	665033	"6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione"	"ClC1=C(N2CCN(CC2)c3ccccn3)C(=O)c4ncccc4C1=O"	0	""	""	2	1	"379873"	NA
"665076"	665076	"1,3-butadiene, 1,1,2,4,4-pentachloro-3-nitro-"	"[O-][N+](=O)C(=C(Cl)Cl)C(=C(Cl)Cl)Cl"	0	""	""	3	3	"379884"	NA
"665077"	665077	"1,1,2,3,4-Pentachloro-4-nitrobut-1-ene"	"[O-][N+](=O)C(Cl)C(Cl)C(=C(Cl)Cl)Cl"	0	""	""	2	2	"379885"	NA
"665078"	665078	""	"[O-][N+](=O)\C(=C/C(=C(Cl)Cl)[N+](=O)[O-])\Cl"	0	NA	NA	1	1	"510970"	NA
"665079"	665079	"2-butene, 1,1,2,4,4-pentachloro-1,4-dinitro-"	"[O-][N+](=O)C(Cl)(Cl)\C=C(/Cl)\C(Cl)(Cl)[N+](=O)[O-]"	0	""	""	2	2	"5755978"	NA
"665080"	665080	""	"[O-][N+](=O)\C(=C(\Cl)/SC#N)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	"510972"	NA
"665084"	665084	"C14H20Cl3N3O2"	"[O-][N+](=O)C(=C(N1CCCCC1)N2CCCCC2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	"379892"	NA
"665085"	665085	"4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine"	"[O-][N+](=O)C(=C(N1CCOCC1)N2CCOCC2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	"379893"	NA
"665086"	665086	"C10H6Cl4N2O2"	"[O-][N+](=O)\C(=C(/Nc1ccccc1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	"3004946"	NA
"665087"	665087	"1-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]piperidine"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	"3004947"	NA
"665088"	665088	"4-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]morpholine"	"[O-][N+](=O)\C(=C(/N1CCOCC1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	2	2	"3004948"	NA
"665089"	665089	"2-[[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol"	"OCCN\C(=C(\Cl)/[N+](=O)[O-])\C(=C(Cl)Cl)Cl"	0	""	""	4	4	"3004949"	NA
"665092"	665092	""	"CC(C)(C)NC(=C(\C=C(\Cl)/[N+](=O)[O-])[N+](=O)[O-])NC(C)(C)C"	0	NA	NA	1	1	"510984"	NA
"665093"	665093	"1-[(3Z)-4-chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine"	"[O-][N+](=O)\C(=C\C(=C(N1CCCCC1)N2CCCCC2)[N+](=O)[O-])\Cl"	0	""	""	1	1	"1550318"	NA
"665094"	665094	"4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine"	"[O-][N+](=O)\C(=C\C(=C(N1CCOCC1)N2CCOCC2)[N+](=O)[O-])\Cl"	0	""	""	1	1	"1423778"	NA
"665095"	665095	"1,1,2-Trichloro-3-nitro-4,4-bis(1H-benzotriazole-1-yl)-1,3-butadiene"	"[O-][N+](=O)C(=C(n1nnc2ccccc12)n3nnc4ccccc34)C(=C(Cl)Cl)Cl"	0	""	""	3	1	"379903"	NA
"665097"	665097	"1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole"	"[O-][N+](=O)C(=C(n1nnc2ccccc12)n3nnc4ccccc34)C=C(n5nnc6ccccc56)n7nnc8ccccc78"	0	""	""	1	1	"379905"	NA
"665098"	665098	"1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine"	"[O-][N+](=O)\C(=C(/SCc1ccccc1)\N2CCCCC2)\C(=C(Cl)Cl)Cl"	0	""	""	1	1	"1550320"	NA
"665101"	665101	""	"[O-][N+](=O)\C(=C(\Cl)/SCc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	"510993"	NA
"665102"	665102	"1,3-butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-"	"[O-][N+](=O)\C(=C(\Cl)/Sc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	"510994"	NA
"665103"	665103	"benzene, 1,1'-[(3,4,4-trichloro-2-nitro- 1,3-butadienyli..."	"[O-][N+](=O)C(=C(Sc1ccccc1)Sc2ccccc2)C(=C(Cl)Cl)Cl"	0	""	""	3	3	"379911"	"151052732"
"665104"	665104	"[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene"	"[O-][N+](=O)\C(=C(/Sc1ccccc1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	"1550321"	NA
"665105"	665105	"CBDivE_006924"	"[O-][N+](=O)C(=C1Nc2ccccc2N1)C(=C(Cl)Cl)Cl"	0	""	""	1	1	"3106764"	NA
"665111"	665111	"4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole"	"CCOc1snc(c1Cl)C(Cl)(Cl)Cl"	0	""	""	1	1	"379919"	NA
"665125"	665125	"N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline"	"C(=N\c1ccc(cc1)c2cc(nc3ccc4ccccc4c23)c5ccccc5)/c6ccccc6"	0	""	""	1	1	"379933"	NA
"665128"	665128	"4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone"	"CN(C)c1ccc(cc1)c2cc(c3ccc(NCCC(=O)C)cc3)c4c(ccc5ccccc45)n2"	0	""	""	2	2	"379936"	NA
"665143"	665143	"10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione"	"O=C1CCCC2=C1CC3=C(CCCC3=O)N2c4ccc(cc4)c5ccccc5"	0	""	""	2	1	"379951"	NA
"665155"	665155	"n-methyl-bis,3,3'-(2-nitroimidazol-1h-yl)propylamine"	"CN(CCCn1ccnc1[N+](=O)[O-])CCCn2ccnc2[N+](=O)[O-]"	0	NA	NA	1	1	"511041"	NA
"665284"	665284	"HTS001086"	"CN1c2ccccc2C(=O)NC13CCNCC3"	0	""	""	1	1	"379977"	NA
"665288"	665288	""	"Fc1ccc(cc1)C(=O)CCCc2cccc3[nH]c4CCN(Cc5ccccc5)Cc4c23"	0	NA	NA	2	2	"511061"	NA
"665299"	665299	"N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine"	"C(N1CCC(CC1)(Nc2ccccc2)C#CC3(CCN(Cc4ccccc4)CC3)Nc5ccccc5)c6ccccc6"	0	""	""	4	3	"379997"	NA
"665301"	665301	""	"COc1ccc2c3CN(Cc4ccccc4)CCc3[nH]c2c1"	0	NA	NA	1	1	"511074"	NA
"665306"	665306	""	"Fc1ccc(cc1)C(=O)CCCN2CCc3[nH]c4cc(F)ccc4c3C2"	0	NA	NA	1	1	"511079"	NA
"665309"	665309	""	"COc1cc2c3CN(Cc4ccccc4)CCc3[nH]c2c(OC)c1OC"	0	NA	NA	1	1	"511082"	NA
"665313"	665313	"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione"	"CN1C(=O)N(c2ccccc2)C3(CCN(CC4COc5ccccc5O4)CC3)C1=O"	0	""	""	1	1	"380019"	NA
"665329"	665329	"LS-89170"	"CC#CC(O)(C(=O)OC1CCN(C)C1)c2ccccc2"	0	""	""	1	1	"58826"	NA
"665332"	665332	"LS-52088"	"CN1CCC(CC1)(OC(=O)Oc2ccccc2)c3ccccc3"	0	""	""	1	1	"58324"	NA
"665335"	665335	"LS-154756"	"CN1CN(c2ccccc2)C3(CCN(Cc4csc5ccccc45)CC3)C1=O"	0	""	""	1	1	"380039"	NA
"665341"	665341	"LS-154755"	"CN1CN(c2ccccc2)C3(CCN(CCc4csc5ccccc45)CC3)C1=O"	0	""	""	1	1	"380044"	NA
"665343"	665343	"(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate"	"CC#CC(O)(C(=O)OCC1=CCCN(C)C1)c2ccccc2"	0	""	""	1	1	"380047"	NA
"665348"	665348	"LS-95062"	"Oc1ccc(\C=C\2/CCc3ccccc3C2=O)cc1"	0	""	""	2	2	"5468147"	NA
"665349"	665349	""	"[O-][N+](=O)c1ccc2CC\C(=C/c3ccccc3)\C(=O)c2c1"	0	NA	NA	3	2	"511121"	NA
"665350"	665350	""	"Oc1ccc(\C=C\2/CCc3ccc(cc3C2=O)[N+](=O)[O-])cc1"	0	NA	NA	3	3	"511122"	NA
"665351"	665351	"1(2h)-naphthalenone, 2-[[4-(diethylamino)phenyl]methylen..."	"CCN(CC)c1ccc(\C=C\2/CCc3ccc(cc3C2=O)[N+](=O)[O-])cc1"	0	NA	NA	2	2	"511123"	NA
"665352"	665352	""	"[O-][N+](=O)c1ccc2CC\C(=C/c3cccc4ccccc34)\C(=O)c2c1"	0	NA	NA	1	1	"511124"	NA
"665364"	665364	"4-quinolinamine, 7-chloro-n-[4-(3-phenyloxaziridinyl) bu..."	"Clc1ccc2c(NCCCCN3OC3c4ccccc4)ccnc2c1"	0	""	""	3	2	"380063"	NA
"665368"	665368	"STK493357"	"Brc1ccc(cc1)C(=O)NCCN2CCCCC2"	0	""	""	1	1	"380066"	NA
"665369"	665369	""	"Brc1ccc(CCNCCN2CCCCC2)cc1"	0	NA	NA	1	1	"511138"	NA
"665373"	665373	""	"CCNCCNC(=O)c1ccc(I)cc1"	0	NA	NA	1	1	"511142"	NA
"665378"	665378	"5-Methoxy-2-(1-naphthylmethylene)-1-indanone"	"COc1ccc2C(=O)\C(=C\c3cccc4ccccc34)\Cc2c1"	0	""	""	1	1	"5468151"	NA
"665379"	665379	""	"COc1cc(\C=C\2/CCc3ccccc3C2=O)ccc1O"	0	NA	NA	1	1	"511148"	NA
"665484"	665484	"5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccccc1C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	3	2	"380086"	NA
"665485"	665485	"1h-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-on..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	"380087"	"191023242"
"665487"	665487	"9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccccc1C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	"380089"	NA
"665488"	665488	"Neuro_000389"	"COc1cc(cc(OC)c1OC)C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	4	2	"380090"	NA
"665489"	665489	"4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone"	"COC1=C(C(c2cc(OC)c(OC)c(OC)c2)c3cc4OCOc4cc3OC)C(=O)OC1"	0	""	""	2	2	"380091"	NA
"665490"	665490	"9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccc(C2C3=C(COC3=O)Oc4cc5OCOc5cc24)c(OC)c1"	0	""	""	1	1	"380092"	NA
"665491"	665491	"8-(2,4-Dimethoxyphenyl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one"	"COc1ccc(C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24)c(OC)c1"	0	""	""	3	3	"380093"	NA
"665492"	665492	"Neuro_000390"	"O=C1OCC2=C1C(c3ccc4OCOc4c3)c5cc6OCOc6cc5O2"	0	""	""	3	2	"380094"	NA
"665493"	665493	"Neuro_000391"	"COc1cccc(c1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	4	2	"380095"	NA
"665496"	665496	"8-(1,3-Benzodioxol-5-yl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one"	"COC12COC(=O)C1C(c3ccc4OCOc4c3)c5cc6OCOc6cc5O2"	0	""	""	3	3	"380098"	NA
"665497"	665497	"furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-..."	"COc1ccc(cc1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	"380099"	NA
"665498"	665498	"9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"Clc1ccc(cc1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"380100"	NA
"665499"	665499	"9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1cccc(C2C3C(COC3=O)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	"380101"	NA
"665500"	665500	"Neuro_000393"	"COc1cc(cc(OC)c1OC(=O)C)C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	3	3	"380102"	NA
"665514"	665514	""	"CC1=Nc2ccc(Br)cc2C(=O)N1c3ccc(NC4OCC(O)C(O)C4O)cc3"	0	NA	NA	1	1	"511182"	NA
"665517"	665517	"quinazolin-4(3h)-one, 6,8-dibromo-2-methyl- 3-[2-(d-xylo..."	"CC1=Nc2c(Br)cc(Br)cc2C(=O)N1c3ccccc3NC4OCC(O)C(O)C4O"	0	NA	NA	2	2	"511185"	NA
"665522"	665522	"6-chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	"[O-][N+](=O)c1ccccc1S(=O)(=O)N2CCCc3cc(Cl)ccc23"	0	""	""	2	2	"380120"	NA
"665523"	665523	"6-methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	"COc1ccc2N(CCCc2c1)S(=O)(=O)c3ccccc3[N+](=O)[O-]"	0	""	""	4	4	"380121"	NA
"665524"	665524	"6-Chloro-1-[(4-chloro-2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline"	"[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N2CCCc3cc(Cl)ccc23"	0	""	""	1	1	"380122"	NA
"665529"	665529	"4-demethylcalycopterone"	"COC1=C(OC)[C@]2(OC)c3c(O)c(OC)c4O[C@H](C[C@H](O)c4c3O[C@@]25O[C@H](CC=C5C1=O)c6ccccc6)c7ccccc7"	0	NA	NA	2	1	"440806683"	NA
"665533"	665533	"6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene"	"CC(C)(Br)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"380127"	NA
"665534"	665534	"5-quinolinesulfonic acid, 7,7'-[1,2-ethenediylbis[(3-sul..."	"[Na+].Oc1c(cc(c2cccnc12)S(=O)(=O)O)C(=O)Nc3ccc(\C=C\c4ccc(NC(=O)c5cc(c6cccnc6c5O)S(=O)(=O)O)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O"	0	NA	NA	3	2	"511198"	"182186216"
"665549"	665549	"azoxydapsone {1,2-bis-[4-(4'-aminophenylsulfonylphenyl)]..."	"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=[N+]([O-])c3ccc(cc3)S(=O)(=O)c4ccc(N)cc4"	0	""	""	2	1	"380146"	NA
"665564"	665564	"NCS-665564"	"CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c4ccccc4"	0	""	""	2	2	"380161"	NA
"665601"	665601	"dibromo[?]diol"	"Oc1c2CCc3cc(Br)cc(CCc1cc(Br)c2)c3O"	0	""	""	1	1	"380163"	NA
"665602"	665602	"pyrimidine-5-carboxylic acid, 2-amino-4-hendecyl- 1,4-di..."	"CCCCCCCCCCCC1N=C(N)NC(=C1C(=O)OC)CCCO"	0	""	""	2	2	"380164"	NA
"665603"	665603	"Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	"CCCCCCCCCCCCC1N=C(N)N2CCCC2=C1C(=O)OC"	0	""	""	2	2	"380165"	NA
"665604"	665604	"Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate"	"CCCCCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)OC"	0	""	""	2	2	"380166"	NA
"665605"	665605	"methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate"	"COC(=O)CC1OOC(C)(OC)C=C1"	0	""	""	1	1	"380167"	NA
"665614"	665614	"o-xylenebis-(triphenylphosphonium bromide)"	"C(c1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"380170"	"1519466"
"665615"	665615	"1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-"	"OC(=O)C12C3CCC(CC3)C1(C4CCC2C4)C(=O)O"	0	""	""	1	1	"380172"	NA
"665622"	665622	"cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydro..."	"O=C1C(CN2CCCC2)CCCC1CN3CCCC3"	0	NA	NA	2	2	"511235"	NA
"665624"	665624	""	"O=C(N\N=C\1/CCc2ccccc12)N\N=C\3/CCc4ccccc34"	0	NA	NA	1	1	"511237"	NA
"665625"	665625	""	"O=C1C(CN2CCCCC2)CCC1CN3CCCCC3"	0	NA	NA	3	2	"511238"	NA
"665626"	665626	"(E)-3-(3,4-dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide"	"[Br-].CC[N+]1(C)CCC(O)(\C=C\c2ccc(Cl)c(Cl)c2)C(C1)C(=O)\C=C\c3ccc(Cl)c(Cl)c3"	0	""	""	2	1	"5468156"	NA
"665629"	665629	""	"CC(C)\C(=N/NC(=S)NN)\C=C\c1ccccc1"	0	NA	NA	2	2	"511242"	NA
"665630"	665630	""	"CC(C)\C(=N/NC(=S)NN)\C=C\c1ccc(Cl)cc1"	0	NA	NA	1	1	"511243"	NA
"665640"	665640	"1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine"	"CCCCCCCCCCCOCCC1C(OC2OC(C)(C)OC12)C(C)OCCN3CCCC3"	0	""	""	3	1	"380196"	NA
"665659"	665659	"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine"	"CCCCCCCCCCCCOC1C(COCCN2CCCCC2)OC3OC(C)(C)OC13"	0	""	""	1	1	"380197"	NA
"665668"	665668	"LS-69605"	"COc1cc(\N=C/N(C)C)c2ncccc2c1"	0	""	""	1	1	"16986"	NA
"665671"	665671	"LS-69604"	"COc1ccc(\N=C\N(C)C)c(C)c1"	0	""	""	1	1	"25767"	NA
"665672"	665672	"LS-69643"	"C[N+](C)(C)\C=N/c1cccc2CCCCc12"	0	""	""	1	1	"59031"	NA
"665684"	665684	"2-((4-Fluorophenoxy)methylene)quinuclidin-3-one"	"Fc1ccc(O\C=C/2\N3CCC(CC3)C2=O)cc1"	0	""	""	1	1	"3004964"	NA
"665685"	665685	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(c5ccccc45)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"511279"	NA
"665692"	665692	"4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]benzonitrile"	"Oc1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1O"	0	""	""	2	1	"5468164"	NA
"665694"	665694	"2-propen-1-one, 1-(4-hydroxyphenyl)- 3-[4-(dimethylamino..."	"CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1"	0	""	""	2	2	"5468166"	NA
"665697"	665697	"AN-308/25123036"	"Oc1cc(O)cc(c1)C(=O)\C=C\c2ccc(O)c(O)c2"	0	""	""	1	1	"5468169"	NA
"665700"	665700	"3-Methyl-5-[(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-[(3-methyl-1,2-oxazol-5-yl)methyl]phenyl]methyl]-1,2-oxazole"	"Cc1cc(Cc2c(F)c(F)c(C(c3onc(C)c3)c4c(F)c(F)c(F)c(F)c4F)c(F)c2F)on1"	0	""	""	2	2	"380224"	NA
"665702"	665702	"5-Chroman-6-yl-2-(4-pyridyl)oxazole"	"C1COc2ccc(cc2C1)c3oc(nc3)c4ccncc4"	0	""	""	1	1	"380226"	NA
"665704"	665704	"2-chroman-6-yl-5-(4-pyridyl)oxazole"	"C1COc2ccc(cc2C1)c3oc(cn3)c4ccncc4"	0	""	""	1	1	"380228"	NA
"665710"	665710	"3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile"	"CCC(=O)C(CCN1CCC(CC1)N2C(=O)C(CCC#N)c3ccccc23)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"380233"	NA
"665713"	665713	"LS-154799"	"Fc1ccc(SCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1"	0	""	""	2	2	"200566"	NA
"665719"	665719	"3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one"	"O=C1OC(CCCN2CCCCC2)(CC13CCCC3)c4ccccc4"	0	""	""	3	1	"380240"	NA
"665724"	665724	"1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate"	"CC#CC(O)(C(=O)OC1CCCN(C)C1)C2=CC=CCC2"	0	""	""	1	1	"380244"	NA
"665728"	665728	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(cc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	1	1	"511321"	NA
"665733"	665733	"3'-Methylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one"	"CC1=NOC2(C1)C(=O)Nc3ccccc23"	0	""	""	1	1	"380253"	NA
"665735"	665735	"5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione"	"S=C1NSC(=C1)c2ccc3OCOc3c2"	0	""	""	1	1	"3004965"	NA
"665736"	665736	""	"CCOC(=O)N(C)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccccc3"	0	NA	NA	1	1	"511329"	NA
"665740"	665740	""	"CC(C)N1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	2	2	"511333"	NA
"665741"	665741	"8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one"	"O=C1OCN(c2ccccc2)C13CCN(Cc4ccccc4)CC3"	0	""	""	1	1	"380263"	NA
"665742"	665742	""	"CCCN1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	2	2	"511335"	NA
"665744"	665744	""	"CC\C=C/C(O)(C1CCCC1)C(=O)OC2CN3CCC2CC3"	0	NA	NA	1	1	"511337"	NA
"665759"	665759	"LS-97512"	"OC1(CC2CCC(C1)N2CCc3ccccc3)c4ccccc4"	0	""	""	1	1	"380280"	NA
"665761"	665761	"LS-102307"	"CC#CC(O)(C(C)C)C(=O)OC1CN2CCC1CC2"	0	""	""	1	1	"380281"	NA
"665764"	665764	"LS-97508"	"OC(CCCN1C2CCC1CC(O)(C2)c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"380284"	NA
"665771"	665771	""	"CCC(C)N1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	"511364"	NA
"665773"	665773	"LS-59969"	"Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)CC(=O)N(N4CCCCCC4)C3=O"	0	""	""	1	1	"380292"	NA
"665774"	665774	"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol"	"OC1(CC2CCC(C1)N2CCCC3(OCCO3)c4ccc(F)cc4)c5ccccc5"	0	""	""	1	1	"380293"	NA
"665775"	665775	""	"CC\C=C/C(O)(C1CCCC1)C(=O)OC2CCN(CC=C)CC2"	0	NA	NA	1	1	"511368"	NA
"665777"	665777	"LS-57998"	"CC#CC(O)(C1CCCC1)C(=O)OC2CCN(CC=C)CC2"	0	""	""	2	1	"380296"	NA
"665783"	665783	"LS-49673"	"O=C(OC1CN2CCC1CC2)N(c3ccccc3)c4ccccc4"	0	""	""	1	1	"28676"	NA
"665788"	665788	"LS-154751"	"CCN1CN(c2ccccc2)C3(CCN(CC4COc5ccccc5O4)CC3)C1=O"	0	""	""	1	1	"380307"	NA
"665789"	665789	""	"CCN1CN(c2ccccc2)C3(CCN(CC(CC4OCCO4)c5ccc(F)cc5)CC3)C1=O"	0	NA	NA	2	2	"511382"	NA
"665791"	665791	""	"CN(CCCN1CCC2(CC1)N(CN(C)C2=O)c3ccccc3)c4ccc(F)cc4"	0	NA	NA	1	1	"511384"	NA
"665803"	665803	"didemnin a, n-l-prolyl-2-l-allothreonine (9ci)"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CCCN2)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	"380319"	NA
"665804"	665804	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methyl-2,5-dihydropyrrole-2-carboxamide"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2C=CCN2C(=O)[C@H](C)O)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	1	"380320"	NA
"665805"	665805	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CC(O)CN2C(=O)[C@H](C)O)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	"380321"	NA
"665806"	665806	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CC(O)CN2)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	"380322"	NA
"665808"	665808	"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate"	"COc1ccc(C[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)C(=O)N[C@@H](C)C(=O)N)cc1"	0	""	""	1	1	"5468180"	NA
"665820"	665820	"2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine"	"COc1ccc2C3N(CCCc2c1)CCc4cc(OC)c(OC)cc34"	0	""	""	1	1	"380329"	NA
"665857"	665857	"2-[(Naphthalen-2-ylcarbonyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate"	"C[N+](C)(C)CCOP(=O)(O)OCCNC(=O)c1ccc2ccccc2c1"	0	""	""	1	1	"380330"	NA
"665863"	665863	""	"CN1CN(c2ccccc2)C3(CCN(CCCCCCF)CC3)C1=O"	0	NA	NA	1	1	"511412"	NA
"665869"	665869	""	"CCC(C)N1CN(c2ccccc2)C3(CCN(CCCSc4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	"511418"	NA
"665872"	665872	"LS-114726"	"COC(=O)C1(CCN(C)CC1)OC(=O)Sc2ccccc2"	0	""	""	2	2	"380347"	NA
"665879"	665879	""	"CCN(CC)C(=O)N1CN(c2ccccc2)C3(CCN(CCCC4(OCCO4)c5ccc(F)cc5)CC3)C1=O"	0	NA	NA	1	1	"511428"	NA
"665881"	665881	""	"CCN(CC)C(=O)N1CN(c2ccccc2)C3(CCN(CCCSc4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	"511430"	NA
"665883"	665883	"LS-154710"	"CNC(=O)N1CN(c2ccccc2)C3(CCN(Cc4ccccc4)CC3)C1=O"	0	""	""	1	1	"380361"	NA
"665895"	665895	""	"OC(C1CCCC1)(C(=O)OCCC2=C3CCN(CC3)C2)c4ccccc4"	0	NA	NA	1	1	"511444"	NA
"665897"	665897	""	"CNC(=O)O\N=C\1/N(C)CN(c2ccccc2)C13CCN(CCCC(=O)c4ccc(F)cc4)CC3"	0	NA	NA	1	1	"511446"	NA
"665899"	665899	"Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-"	"CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C"	0	""	""	1	1	"380384"	NA
"665900"	665900	"(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol"	"COc1ccc2[nH]cc(CN3CCC(CO)(CC3)c4ccccc4)c2c1"	0	""	""	1	1	"380385"	NA
"665906"	665906	""	"NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)C2CCCN2C(=O)OCc3ccccc3)OCCC(=O)O"	0	NA	NA	1	1	"511455"	NA
"665910"	665910	"3-(Benzenesulfonyl)-12-(p-tolylsulfonyl)-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizin-4-one"	"Cc1ccc(cc1)S(=O)(=O)n2c3C4CC=C(C(=O)N4CCc3c5ccccc25)S(=O)(=O)c6ccccc6"	0	""	""	1	1	"380393"	NA
"665915"	665915	""	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2CCCCCC4[C@H]5C[C@@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	NA	NA	2	2	"511464"	NA
"665916"	665916	""	"CN(C)C(=S)N\N=C(/C)\c1cccnn1"	0	NA	NA	2	2	"511465"	NA
"665924"	665924	"8-Fluoro-5-methyl-2-phenylquinolin-4(1H)-one"	"Cc1ccc(F)c2NC(=CC(=O)c12)c3ccccc3"	0	""	""	2	2	"380402"	NA
"665925"	665925	"5,7-Dimethyl-2-phenylquinolin-4-ol"	"Cc1cc(C)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	3	3	"380403"	NA
"665929"	665929	"Neuro_000394"	"Fc1cc2NC(=CC(=O)c2cc1F)c3ccccc3"	0	""	""	3	2	"380407"	NA
"665930"	665930	"8-Chloro-5-methyl-2-phenylquinolin-4(1H)-one"	"Cc1ccc(Cl)c2NC(=CC(=O)c12)c3ccccc3"	0	""	""	1	1	"380408"	NA
"665934"	665934	"furo[3',4':6,7]naptho[2,3-d]-1,3-dioxol-6(5h)-one, 5a,8,..."	"CNCCN[C@H]1[C@H]2COC(=O)[C@@H]2[C@H](c3cc(OC)c(O)c(OC)c3)c4cc5OCOc5cc14"	0	""	""	2	2	"380412"	NA
"665935"	665935	"(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NCCNCCO)c4cc5OCOc5cc24"	0	""	""	2	2	"380414"	NA
"665936"	665936	"(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NCCNCCO)c4cc5OCOc5cc24"	0	""	""	2	2	"380415"	NA
"665940"	665940	"3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide"	"BrC1(Br)S(=O)(=O)OCCCOS1(=O)=O"	0	""	""	1	1	"380417"	NA
"665941"	665941	"3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile"	"O=S1(=O)OCCOS(=O)(=O)C1(CCC#N)CCC#N"	0	""	""	1	1	"380418"	NA
"665942"	665942	"UZFQDPJMWANVCH-UHFFFAOYSA-N"	"FC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"380419"	NA
"665946"	665946	"STK664352"	"O=C(NNC(=S)NC1CCCCC1)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	"3004968"	NA
"665947"	665947	"STL508685"	"O=C(NNC(=S)Nc1ccccc1)C23CC4CC(CC(C4)C2)C3"	0	""	""	2	1	"3004969"	NA
"665948"	665948	"1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea"	"Clc1ccc(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1"	0	""	""	2	2	"3004970"	NA
"665950"	665950	"C15H21N3S"	"Sc1nnc(n1CC=C)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	"2919324"	NA
"665951"	665951	"3-(1-adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione"	"Sc1nnc(n1c2ccc(Cl)cc2)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	"3004972"	NA
"665959"	665959	"2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole"	"Clc1ccc(cc1)c2oc(nn2)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	"380436"	NA
"665962"	665962	"2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole"	"C1C2CC3CC1CC(C3)(C2)c4oc(nn4)c5cccs5"	0	""	""	1	1	"380439"	NA
"665970"	665970	"artemether"	"CO[C@H]1O[C@@H]2O[C@]3(C)CCC4[C@H](C)CCC([C@H]1C)C24OO3"	0	"NonCan:Mal"	"FDA approved"	1	1	"-1"	NA
"665971"	665971	"arteether"	"CCO[C@H]1O[C@@H]2O[C@]3(C)CCC4[C@H](C)CCC([C@H]1C)C24OO3"	0	NA	NA	2	2	"511515"	NA
"666034"	666034	"Carquniostatin B"	"CC(O)C(O)C1=C(C)C(=O)C(=O)c2c1[nH]c3ccc(CC=C(C)C)cc23"	0	""	""	2	2	"380452"	NA
"666037"	666037	""	"CN1C\C(=C/c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	"511527"	NA
"666038"	666038	"piperidinone, 1-methyl-3,5-bis[(2-nitrophenyl) methylene..."	"CN1C\C(=C/c2ccccc2[N+](=O)[O-])\C(=O)\C(=C\c3ccccc3[N+](=O)[O-])\C1"	0	""	""	2	2	"5468196"	NA
"666062"	666062	"N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine"	"COc1cc(cc(OC)c1OC)N(Cc2ccc3nc(OC)c(OC)nc3c2)Cc4ccc5nc(OC)c(OC)nc5c4"	0	""	""	1	1	"380466"	NA
"666065"	666065	"2-[4-(2-Methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)piperazin-1-yl]ethanol"	"Cn1nc2ccc3nccc(N4CCN(CCO)CC4)c3c2n1"	0	""	""	1	1	"380469"	NA
"666075"	666075	"1,1-diiodo-2,2-dimethoxy-2-phenylethane"	"COC(OC)(C(I)I)c1ccccc1"	0	""	""	2	2	"380477"	NA
"666078"	666078	""	"Nc1cccc(\N=C/2\N\C(=N/c3cccc(N)n3)\c4cc(C#N)c(cc24)C#N)n1"	0	NA	NA	1	1	"511551"	NA
"666080"	666080	"2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene"	"C1CSc2ccc(SCCCSc3ccc(SC1)nn3)nn2"	0	""	""	2	1	"380480"	NA
"666097"	666097	"[cl-].nc1cc(co)cc(nc2c3ccccc3nc4ccccc24)c1"	"Nc1cc(CO)cc(Nc2c3ccccc3nc4ccccc24)c1"	0	NA	NA	1	1	"511555"	NA
"666107"	666107	""	"CC1OC2=C(C(=O)Oc3cccc(C)c23)[C@@]1(C)C[C@@H]4OC(=O)C(=C4)C"	0	NA	NA	1	1	"511565"	NA
"666109"	666109	""	"C[C@H]1CC(C[C@@]2(C)C(C)OC3=C2C(=O)Oc4ccccc34)OC1=O"	0	NA	NA	1	1	"511567"	NA
"666110"	666110	""	"Cc1cccc2OC(=O)C3=C(OC4(C[C@]3(C)C=C)OC(O)C(=C4)CO)c12"	0	NA	NA	2	2	"511568"	NA
"666112"	666112	""	"CC(=O)OC[C@H]1CC(OC(=O)C(=C)C)[C@@H]2C(OC(=O)C2=C)C3C1CC=C3C"	0	NA	NA	2	2	"511570"	NA
"666113"	666113	""	"CC(=O)OC\C\1=C/C2OC(=O)C(=C)[C@@H]2[C@H](CC3(CO)O[C@@H]3CC1)OC(=O)C(=C)C"	0	NA	NA	2	1	"511571"	NA
"666114"	666114	""	"CC(=O)OC1[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C\C(=C\CCC1=C)\CO)OC(=O)C(=C)C"	0	NA	NA	1	1	"511572"	NA
"666115"	666115	"4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one"	"Cc1ccc2NC(=O)C(=C(O)c2c1)c3cnc(O)nn3"	0	""	""	1	1	"135408193"	NA
"666117"	666117	"ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate"	"CCOC(=O)O\C(=C/c1ccc(OC)cc1)\c2c(OC(=O)OCC)n(C(=O)OCC)c3ccccc23"	0	""	""	1	1	"5468209"	NA
"666123"	666123	""	"COC(=O)\C=C(\C(=O)OC)/c1c(C)cc2c(C)cc(C)cc(C)c12"	0	NA	NA	2	2	"511581"	NA
"666124"	666124	"[3,4,5-Tribenzyloxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methanol"	"COc1ccc(OC2OC(CO)C(OCc3ccccc3)C(OCc4ccccc4)C2OCc5ccccc5)cc1"	0	""	""	1	1	"380509"	NA
"666126"	666126	"2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol"	"COc1ccc(OC2OC(COC(c3ccccc3)(c4ccc(OC)cc4)c5ccc(OC)cc5)C(O)C(O)C2O)cc1"	0	""	""	1	1	"380511"	NA
"666132"	666132	"2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenylthiazol-2-yl)-6,8-dihydro-4H-chromen-5-one"	"CC1(C)CC2=C(C(C(=C(N)O2)c3nc(cs3)c4ccccc4)c5ccc(Br)cc5)C(=O)C1"	0	""	""	1	1	"380518"	NA
"666133"	666133	"2-amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide"	"NC(=S)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)Oc4ccccc24"	0	""	""	1	1	"3000695"	NA
"666134"	666134	"C27H17BrN2O3S"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4ccc(Br)cc4)c5nc(cs5)c6ccccc6"	0	""	""	1	1	"380520"	NA
"666135"	666135	"STK525439"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4occc4)c5nc(cs5)c6ccccc6"	0	""	""	1	1	"380521"	NA
"666136"	666136	"2-amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4occc4)c5nc(cs5)C6=Cc7ccccc7OC6=O"	0	""	""	1	1	"380522"	NA
"666137"	666137	"4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile"	"CC1(C)CC(=O)C2=C(C1)NC(=S)C(=C2c3ccc(Br)cc3)C#N"	0	""	""	1	1	"1015890"	NA
"666138"	666138	"2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine"	"CN(C)c1ccc(cc1)c2c(C#N)c(N)nc(S)c2C#N"	0	""	""	1	1	"3005693"	NA
"666140"	666140	"2-[[3-Cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile"	"CC1(C)CC(=O)C2=C(C1)NC(=C(C#N)C2c3ccc(F)cc3)SSC4=C(C#N)C(C5=C(CC(C)(C)CC5=O)N4)c6ccc(F)cc6"	0	""	""	1	1	"380527"	NA
"666159"	666159	"bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t..."	"CC1=[N+]2[N-]C(=S[Bi+3]234([O-][N+](=O)[O-])(S=C([N-][N+]3=C(C)c5cccc[n+]45)N6CCCCCC6)[n+]7ccccc17)N8CCCCCC8"	0	NA	NA	3	2	"581976"	NA
"666160"	666160	"bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ..."	"CC1CCN(CC1)C2=S[Bi+3]345([O-][N+](=O)[O-])(S=C([N-][N+]3=C(C)c6cccc[n+]46)N7CCC(C)CC7)[N+](=C(C)c8cccc[n+]58)[N-]2"	0	NA	NA	3	2	"581977"	NA
"666167"	666167	"3-(4-bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one"	"Brc1ccc(cc1)C2=NN=C3NC(=O)C4(NN3C2)c5ccccc5c6ccccc46"	0	""	""	1	1	"135409202"	NA
"666174"	666174	""	"Clc1ccc(\C=C\C2=NNC3N4NC5(C(=O)NC4=NN3C2=O)c6ccccc6c7ccccc57)cc1"	0	NA	NA	1	1	"511625"	NA
"666214"	666214	"2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c1O"	0	""	""	3	2	"380564"	NA
"666217"	666217	"6h-1,3-dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 7-methy..."	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	2	"380567"	NA
"666218"	666218	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5)c1OC"	0	""	""	1	1	"380568"	NA
"666220"	666220	"4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1ccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c(OC)c1"	0	""	""	3	1	"380570"	NA
"666222"	666222	"4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc5OCOc5c4)N6CCOCC6"	0	""	""	3	1	"380572"	NA
"666223"	666223	"2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(ccc1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	"380573"	NA
"666225"	666225	"4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1ccc(cc1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	3	"380575"	NA
"666226"	666226	"1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1ccccc1C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	2	1	"380576"	NA
"666227"	666227	"Neuro_000396"	"CCC1C(Oc2cc3OCOc3cc2C1c4cc(OC)c(OC)c(OC)c4)N5CCCC5"	0	""	""	3	2	"380577"	NA
"666229"	666229	"1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1cccc(c1)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	1	1	"380579"	NA
"666231"	666231	"4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc(Cl)cc4)N5CCOCC5"	0	""	""	1	1	"380581"	NA
"666233"	666233	"N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc(cc4)N(C)C)N5CCCC5"	0	""	""	2	1	"380583"	NA
"666234"	666234	"2,6-Ditert-butyl-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"CC1C(Oc2cc3OCOc3cc2C1c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)N5CCOCC5"	0	""	""	1	1	"380584"	NA
"666236"	666236	"2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cccc(C2C(C(Oc3cc4OCOc4cc23)N5CCCC5)c6ccccc6)c1O"	0	""	""	1	1	"380586"	NA
"666237"	666237	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5"	0	""	""	3	2	"380587"	NA
"666238"	666238	"4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1cc(OC)c(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c(OC)c1"	0	""	""	1	1	"380588"	NA
"666272"	666272	"aplysinamisine iii"	"COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCOc3c(Br)cc(cc3Br)C(O)CNC(=O)C)C=C1Br"	0	NA	NA	1	1	"511673"	NA
"666279"	666279	"STK953613"	"Cc1ccc(cc1)N2CCc3c(C)c(C#N)c4nc5ccccc5n4c23"	0	""	""	1	1	"380604"	NA
"666280"	666280	"STK953642"	"CCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c12"	0	""	""	1	1	"380605"	NA
"666283"	666283	"Maybridge4_001815"	"Cc1nc2ccc(F)cc2c3N(CCc13)c4ccc(Cl)cc4"	0	""	""	1	1	"380608"	NA
"666284"	666284	"6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	"COc1cc(OC)c2nc(C)c3CCNc3c2c1"	0	""	""	1	1	"380609"	NA
"666288"	666288	"2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol"	"CC1=C(CCO)C(=O)NC(=N1)Nc2nc3ccccc3[nH]2"	0	""	""	2	1	"135409211"	NA
"666289"	666289	"5179AJ"	"Cc1cc(Cl)nc(Nc2nc3ccccc3[nH]2)n1"	0	""	""	1	1	"380614"	NA
"666290"	666290	"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid"	"Cc1nn(C2=NC=C(C(=O)O)C(=O)N2)c(O)c1CCO"	0	""	""	3	1	"380615"	NA
"666291"	666291	"3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide"	"NC(=N)n1nc2CCCc2c1O"	0	""	""	1	1	"380616"	NA
"666292"	666292	"3-(2-(1h-imidazol-1-yl)ethyl)-6-chloro-4-(1h- imidazol-1..."	"Cc1nc2ccc(Cl)cc2c(c1CCn3ccnc3)n4ccnc4"	0	""	""	1	1	"380617"	NA
"666293"	666293	"7152AD"	"Cc1nn(C(=N)N)c(O)c1CCO"	0	""	""	1	1	"380618"	NA
"666294"	666294	"1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione"	"O=C(CC(=O)\C=C\c1occc1)\C=C\c2occc2"	0	""	""	2	1	"5801551"	NA
"666295"	666295	"1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione"	"Oc1ccccc1\C=C\C(=O)CC(=O)\C=C\c2ccccc2O"	0	""	""	2	2	"5825618"	NA
"666297"	666297	""	"COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)cc2)cc1"	0	NA	NA	1	1	"511698"	NA
"666298"	666298	"1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione"	"O=C(CC(=O)\C=C\c1ccc2OCOc2c1)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	"5927776"	NA
"666300"	666300	"(Acetyloxy)(1-pyrenyl)methyl acetate"	"CC(=O)OC(OC(=O)C)c1ccc2ccc3cccc4ccc1c2c34"	0	""	""	1	1	"380625"	NA
"666302"	666302	"15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone"	"CN1C(=O)N(C)c2nc3sc4C(=O)c5c(O)ccc(O)c5C(=O)c4n3c2C1=O"	0	""	""	2	2	"380627"	NA
"666304"	666304	"STK205994"	"c1ccc2nc3c(nc2c1)sc4nc5ccccc5n34"	0	""	""	1	1	"380629"	NA
"666305"	666305	"C17H8N2O2S"	"O=C1c2ccccc2C(=O)c3c1sc4nc5ccccc5n34"	0	""	""	1	1	"380630"	NA
"666307"	666307	"10H-Phenothiazine-4-carbonitrile"	"N#Cc1cccc2Nc3ccccc3Sc12"	0	""	""	1	1	"380632"	NA
"666309"	666309	"2,5-Bis(2-thienyl)-3,4-bis(2-pyridinyl)-1H-pyrrole"	"c1ccc(nc1)c2c([nH]c(c3cccs3)c2c4ccccn4)c5cccs5"	0	""	""	1	1	"380634"	NA
"666314"	666314	"CBMicro_048201"	"O=C1NN(C(=O)C2C1C3c4ccccc4C2c5ccccc35)c6ccccc6"	0	""	""	1	1	"380638"	NA
"666346"	666346	"1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol"	"CCCCCCCCCCOC1C(OC2OC3(CCCCC3)OC12)C(O)CNCCCN(C)C"	0	""	""	1	1	"380658"	NA
"666347"	666347	"3-[1-(6-decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine"	"CCCCCCCCCCOC1C(OC2OC3(CCCCC3)OC12)C(C)OCCCN(C)C"	0	""	""	1	1	"380659"	NA
"666354"	666354	"2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one"	"Oc1ccccc1\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4"	0	""	""	1	1	"135411821"	NA
"666355"	666355	"2-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one"	"[O-][N+](=O)c1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	"9571453"	NA
"666356"	666356	"4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"COc1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	"9571454"	NA
"666358"	666358	"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone"	"Cc1cc(C)n(n1)C2=Nc3ccccc3C(=O)N2c4ccccc4"	0	""	""	1	1	"380664"	NA
"666360"	666360	"4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"Clc1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	"9571455"	NA
"666361"	666361	"1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	"Oc1ccccc1c2nnc3N(C(=O)c4ccccc4n23)c5ccccc5"	0	""	""	1	1	"380667"	NA
"666362"	666362	"4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"CN(C)c1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	"9571456"	NA
"666365"	666365	"1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	"Oc1ccc(cc1)c2nnc3N(C(=O)c4ccccc4n23)c5ccccc5"	0	""	""	1	1	"380671"	NA
"666377"	666377	"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}-1H-benzimidazole-4,7-dione"	"Oc1c(Br)cc(CCNC2=CC(=O)c3nc[nH]c3C2=O)cc1Br"	0	""	""	1	1	"380677"	NA
"666384"	666384	"17-O-Acetylacuminolide"	"CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C[C@H](O2)C4=CC(=O)O[C@H]4O"	0	""	""	1	1	"380682"	NA
"666385"	666385	"(1S,5S,8R,11R,12R)-5-methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione"	"CO[C@@]12CCC3(C)[C@@](CC[C@@H]4[C@@]5(C)CCC[C@@]34OC5=O)(C1)C(=O)C2=C"	0	""	""	1	1	"6712298"	NA
"666388"	666388	""	"O[C@@H](C[C@@H]1CC=CC(=O)O1)CC(=O)\C=C\c2ccccc2"	0	NA	NA	2	2	"511763"	NA
"666389"	666389	""	"CC1CC(OP(=O)(OCc2ccccc2)OCc3ccccc3)[C@@H](OCc4ccccc4)C(OCc5ccccc5)C1OCc6ccccc6"	0	NA	NA	1	1	"511764"	NA
"666398"	666398	"4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C2(c3ccccc3)c4ccccc4c5ccccc25"	0	""	""	1	1	"9571458"	NA
"666401"	666401	"2h-phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6- 10b,11,1..."	"COc1ccc2C3CC[C@]4(C)OC(=O)CCC4[C@@H]3CCc2c1"	0	NA	NA	1	1	"511776"	NA
"666407"	666407	"(1E)-1-(3-methylsulfanylpropylsulfanyl)cyclododecene"	"CSCCCS\C\1=C\CCCCCCCCCC1"	0	""	""	1	1	"5468236"	NA
"666424"	666424	""	"NC1CC2C3CCC2C(=O)C13"	0	NA	NA	1	1	"511799"	NA
"666425"	666425	"4-methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\2/CC3C4CCC3C2C4"	0	""	""	1	1	"9571460"	NA
"666426"	666426	"4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol"	"OC1C2CCC3C2CC(C13)C(O)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"380720"	NA
"666430"	666430	""	"[O-][N+](=O)c1ccc(OC2CC3C4CC2C3C=C4)c(c1)[N+](=O)[O-]"	0	NA	NA	2	1	"511805"	NA
"666434"	666434	"2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid"	"OC(=O)c1ccccc1C(=O)OC2C3CCC4CC3C(=C)C24"	0	""	""	1	1	"380727"	NA
"666440"	666440	"1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate"	"COC1(OC)C2(Cl)CCC1(Cl)C(C2)OC(=O)C"	0	""	""	2	1	"380733"	NA
"666450"	666450	"3-[(4-oxo-2-phenyl-thiazolidin-3-yl)sulfamoyl]benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	"380743"	NA
"666452"	666452	"3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3ccccc3Cl"	0	""	""	1	1	"380745"	NA
"666454"	666454	"3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	"CN(C)c1ccc(cc1)C2SCC(=O)N2NS(=O)(=O)c3cccc(c3)C(=O)O"	0	""	""	1	1	"380747"	NA
"666455"	666455	"3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3c(O)ccc4ccccc34"	0	""	""	1	1	"380748"	NA
"666472"	666472	"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-"	"OC1c2ccccc2CC13CCC(=O)CC3"	0	""	""	1	1	"380764"	NA
"666473"	666473	"Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-"	"CC1(C)c2ccccc2C(=O)C13CCC(=O)CC3"	0	""	""	1	1	"380765"	NA
"666477"	666477	""	"CP(=S)(C)P(=S)(C)C"	0	NA	NA	1	1	"511851"	NA
"666479"	666479	"6-(3-Carboxypropanoyl)-2,3-dihydro-1H-indene-1-carboxylic acid"	"OC(=O)CCC(=O)c1ccc2CCC(C(=O)O)c2c1"	0	""	""	1	1	"380769"	NA
"666485"	666485	"3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide"	"Cc1ccc2c(Nc3ccccc3P2(=O)O)c1"	0	""	""	1	1	"380774"	NA
"666486"	666486	"3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinin-10-ium 10-oxide"	"Cc1ccc2c(Nc3cc(ccc3P2=O)C(F)(F)F)c1"	0	""	""	1	1	"6328833"	NA
"666489"	666489	""	"N1c2ccccc2[P+]3(c4ccccc4Nc5ccccc35)c6ccccc16"	0	NA	NA	2	2	"511862"	NA
"666490"	666490	"spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]"	"N1c2ccccc2p3(c4ccccc14)c5ccccc5nc6ccccc36"	0	""	""	2	2	"380780"	NA
"666496"	666496	"5-Benzyl-5H-benzo[b]phosphindole 5-oxide"	"O=P1(Cc2ccccc2)c3ccccc3c4ccccc14"	0	""	""	2	2	"380786"	NA
"666508"	666508	"2-Phenoxyphenylphosphonic acid"	"OP(=O)(O)c1ccccc1Oc2ccccc2"	0	""	""	1	1	"380790"	NA
"666513"	666513	"1,3-Diphenylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione"	"O=C1C2C(C(c3ccccc3)C4(Cc5ccccc5C4=O)C2c6ccccc6)c7ccccc17"	0	""	""	2	2	"380793"	NA
"666516"	666516	"STK126388"	"O=CC12C3C(C(c4ccccc14)c5ccccc25)C(=O)NC3=O"	0	""	""	1	1	"380797"	NA
"666517"	666517	"1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one"	"O=C1CCC2=C(CCC2)N1CCc3ccc4OCOc4c3"	0	""	""	1	1	"380798"	NA
"666518"	666518	"1-((Phenylsulfinyl)methyl)cyclohexanol"	"OC1(CS(=O)c2ccccc2)CCCCC1"	0	""	""	1	1	"380799"	NA
"666524"	666524	"3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione"	"CC1=C2CC(C)(C)CC(=O)C2(C)CCC1=O"	0	""	""	1	1	"380805"	NA
"666526"	666526	"2,2-Dichloro-3-hexylcyclobutanone"	"CCCCCCC1CC(=O)C1(Cl)Cl"	0	""	""	1	1	"380807"	NA
"666531"	666531	"Diethyl 2-cyclopropyl-2-oxoethylphosphonate"	"CCOP(=O)(CC(=O)C1CC1)OCC"	0	""	""	1	1	"380811"	NA
"666532"	666532	"(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane"	"C[Si](C)(C)C#CCOC=C1CC1"	0	""	""	1	1	"380812"	NA
"666534"	666534	"3,3,6,6-Tetramethyl-2,7-octanedione"	"CC(=O)C(C)(C)CCC(C)(C)C(=O)C"	0	""	""	1	1	"380813"	NA
"666535"	666535	"Triethyl 2-phenyl-1,3,3-butanetricarboxylate"	"CCOC(=O)CC(c1ccccc1)C(C)(C(=O)OCC)C(=O)OCC"	0	""	""	1	1	"380814"	NA
"666540"	666540	"STK095497"	"CC1(C)OC(=O)C(Cc2ccccc2)(Cc3ccccc3)C(=O)O1"	0	""	""	1	1	"380818"	NA
"666552"	666552	""	"ClC1(Cl)[C@@H]2CCC3C(CC[C@@H]2C1=O)C(=O)C3(Cl)Cl"	0	NA	NA	2	2	"511923"	NA
"666569"	666569	"11.beta.-hydroxy estradiol-11-nitrate-3-acetate"	"CC(=O)Oc1ccc2C3[C@H](C[C@]4(C)[C@@H](O)CCC4[C@@H]3CCc2c1)O[N+](=O)[O-]"	0	""	""	3	2	"380839"	NA
"666570"	666570	"(+)-3,11.beta.,17.beta.-trihydroxyestra-1,3,5(10)-triene..."	"CC(=O)Oc1ccc2C3[C@H](C[C@]4(C)[C@H](CCC4[C@@H]3CCc2c1)O[N+](=O)[O-])O[N+](=O)[O-]"	0	""	""	2	1	"6712303"	NA
"666571"	666571	"7.alpha.-methyl-3,11.beta.,17.beta.-trihydroxy estra-1,3..."	"CC1Cc2cc(O)ccc2C3[C@H](C[C@]4(C)[C@@H](O)CCC4[C@H]13)O[N+](=O)[O-]"	0	""	""	3	2	"380841"	NA
"666583"	666583	"7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4c(NN)ncnc24"	0	""	""	1	1	"380843"	NA
"666584"	666584	"7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide"	"CC[n+]1cnc(N)c2c(cn(c3ccc(C)cc3)c12)c4ccc(Cl)cc4"	0	""	""	1	1	"380844"	NA
"666586"	666586	"Phenethyl 3-(3,4-dihydroxyphenyl)propanoate"	"Oc1ccc(CCC(=O)OCCc2ccccc2)cc1O"	0	""	""	2	2	"380847"	NA
"666589"	666589	"phenylpropyl caffeate"	"Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1O"	0	""	""	1	1	"5922182"	NA
"666590"	666590	"Benzyl Caffeate"	"Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O"	0	""	""	1	1	"5919576"	NA
"666592"	666592	".beta.-Phenylethyl 2,4,5-trihydroxycinnamate"	"Oc1cc(O)c(\C=C\C(=O)OCCc2ccccc2)cc1O"	0	""	""	2	2	"5933247"	NA
"666596"	666596	"5-(5,6-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid"	"OC(=O)c1cc(ccc1O)c2ccc3c(O)c(O)ccc3c2"	0	""	""	1	1	"380856"	NA
"666597"	666597	"5-(5,8-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid"	"OC(=O)c1cc(ccc1O)c2ccc3c(O)ccc(O)c3c2"	0	""	""	1	1	"380857"	NA
"666606"	666606	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(O)C(C)(O)C(=O)N[C@H]([C@@H](O)C(=O)OC1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	""	""	2	2	"380865"	NA
"666607"	666607	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6occc6)C(=C1C5(C)C)C"	0	""	""	2	2	"380866"	NA
"666608"	666608	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccc8ccccc8c7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"380867"	NA
"666612"	666612	"Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate"	"CCOC(=O)c1ccc(NCc2ccc3OC(=O)C(=Nc3c2)c4ccccc4)cc1"	0	""	""	1	1	"380869"	NA
"666659"	666659	"4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate"	"CC(C)(C)C1=C(Br)C(OC(=O)C(F)(F)F)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	"380875"	NA
"666660"	666660	"4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	"CC(C)(C)C1=C(Br)C(F)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	"380876"	NA
"666662"	666662	"4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	"CC1(C)OP(=O)(C=C1Br)c2ccccc2"	0	""	""	1	1	"380878"	NA
"666663"	666663	"3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide"	"COC1(OP(=O)(O)C(=C1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"380879"	NA
"666667"	666667	"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide"	"CCOP1(=O)OC(C)(C)C(=C1)Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"380883"	NA
"666672"	666672	"BZUVLAULGXOKJL-UHFFFAOYSA-N"	"CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O"	0	""	""	1	1	"380888"	NA
"666673"	666673	""	"CCOP(=O)(OCC)C=C=C1CCC2[C@@H]3CCc4cc(OC)ccc4C3CC[C@]12C"	0	NA	NA	1	1	"511984"	NA
"666674"	666674	""	"COc1ccc2C3CC[C@@]4(C)C(CCC4=C=CP(=O)(O)O)[C@@H]3CCc2c1"	0	NA	NA	1	1	"511985"	NA
"666679"	666679	"3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid"	"OP(=O)(C#CC(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"380897"	NA
"666681"	666681	"1,1,10,10-Tetramethoxycyclooctadecane"	"COC1(CCCCCCCCC(CCCCCCCC1)(OC)OC)OC"	0	""	""	1	1	"380899"	NA
"666683"	666683	"14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol"	"OC1(CCCCCCCCC2(CCCCCCCC1)OCCO2)C#C"	0	""	""	1	1	"380901"	NA
"666684"	666684	"1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane"	"C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2"	0	""	""	1	1	"380902"	NA
"666690"	666690	"Plantaricin BN"	"OC(=O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O"	0	""	""	1	1	"380907"	NA
"666691"	666691	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-"	"O=C1C(=O)C(CCC#N)(CCC#N)CCCCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	"380908"	NA
"666692"	666692	"3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione"	"OCCCC1(CCCO)CCCCCCCCC(CCCO)(CCCO)C(=O)C1=O"	0	""	""	1	1	"380909"	NA
"666693"	666693	"Methyl 4-[1,4,4-tris(4-methoxy-4-oxo-butyl)-2,3-dioxo-cyclododecyl]butanoate"	"COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O"	0	""	""	1	1	"380910"	NA
"666694"	666694	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-"	"OC1C(O)C(CCC#N)(CCC#N)CCCCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	"380911"	NA
"666697"	666697	"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-"	"O=C1C(=O)C(CCC#N)(CCC#N)CCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	"380914"	NA
"666698"	666698	"1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester"	"COC(=O)CCC1(CCC(=O)OC)CCCCCCC(CCC(=O)OC)(CCC(=O)OC)C(=O)C1=O"	0	""	""	1	1	"380915"	NA
"666700"	666700	"1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrim..."	"COC1CC(OC1CO)N2C=CC(=O)NC2=O"	0	NA	NA	1	1	"512011"	NA
"666707"	666707	"2-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl bicyc..."	"O\N=C\1/CC2(CCC1(Cc3ccccc3)CC2)N4CCOCC4"	0	""	""	1	1	"5831070"	NA
"666715"	666715	"4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2"	0	""	""	1	1	"380929"	NA
"666731"	666731	"4,4-Diiodo-3-phenyl-3-buten-2-one"	"CC(=O)C(=C(I)I)c1ccccc1"	0	""	""	1	1	"380945"	NA
"666735"	666735	"methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCC[N+]4([O-])CCOCC4)c12"	0	""	""	2	2	"380950"	NA
"666738"	666738	"ADAL1163628"	"OCCN(CCO)c1ncc(s1)[N+](=O)[O-]"	0	""	""	1	1	"380955"	NA
"666752"	666752	"sjl 620"	"CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN"	0	""	""	1	1	"161851"	NA
"666763"	666763	"(E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one"	"Oc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1"	0	""	""	1	1	"5468260"	NA
"666765"	666765	"4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate"	"CC(C)(C)C(=O)Oc1ccc(\C=C\C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1"	0	""	""	1	1	"5468262"	NA
"666766"	666766	"2,5-Bis(4-hydroxybenzylidene)cyclopentanone"	"Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)cc3)\C2=O)cc1"	0	""	""	2	2	"1712706"	NA
"666767"	666767	"2,5-Bis-(3,4-dihydroxy-benzylidene)-cyclopentanone"	"Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)c(O)c3)\C2=O)cc1O"	0	""	""	2	2	"5468263"	NA
"666769"	666769	""	"CC1C\C(=C/c2ccc(OC(=O)C(C)(C)C)cc2)\C(=O)\C(=C\c3ccc(OC(=O)C(C)(C)C)cc3)\C1"	0	NA	NA	1	1	"512064"	NA
"666783"	666783	"pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(4-methoxy- phe..."	"COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1"	0	NA	NA	2	2	"512066"	NA
"666787"	666787	"pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,3,4- trichlo..."	"Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc3nc(N)nc(N)c13"	0	NA	NA	2	2	"512067"	NA
"666850"	666850	""	"CC(CC[C@@]1(C)C(=O)CCC2O[C@@]12C)[C@H]3C[C@H](OC3=O)c4cocc4"	0	NA	NA	1	1	"512070"	NA
"666851"	666851	""	"C[C@@H]1CC[C@]2(C)[C@@]3(C)CCC2(OC3=O)[C@@]14CC(OC4=O)c5cocc5"	0	NA	NA	1	1	"512071"	NA
"666858"	666858	""	"CC(OC(=O)C)C(C)(O)C(=O)OC1C=C(C)C2C[C@H](OC(=O)C)C(=C)C2C3OC(=O)C(=C)[C@H]13"	0	NA	NA	1	1	"512078"	NA
"666859"	666859	""	"CC(OC(=O)C)C(C)(OC(=O)C)C(=O)OC1C=C(C)C2C[C@H](OC(=O)C)C(=C)C2C3OC(=O)C(=C)[C@H]13"	0	NA	NA	1	1	"512079"	NA
"666869"	666869	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1C(F)C(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"380992"	NA
"666870"	666870	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(C(F)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"380993"	NA
"666871"	666871	"[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(C(F)C1OC(=O)CCC)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"380994"	NA
"666977"	666977	"N-(3,4-dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide"	"Cc1nc(O)nc(N\N=C\c2ccc(Cl)c(Cl)c2)c1C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	2	2	"9556166"	NA
"666980"	666980	"7-Chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(NC(C)(CO)CO)c12"	0	""	""	2	1	"381003"	NA
"666981"	666981	"4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-ol"	"CC(C)(C)C1=C(Br)C(O)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	"381004"	NA
"666991"	666991	"2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine"	"CC1=CN(C2CC(N\C(=N\C#N)\NCC3OC(CC3O)n4cnc5c(N)ncnc45)C(CO)O2)C(=O)NC1=O"	0	""	""	1	1	"381006"	NA
"666997"	666997	""	"COc1cc2CCN3CCC4CCCCC4C3c2cc1OC"	0	NA	NA	1	1	"512115"	NA
"666999"	666999	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole"	"Cn1cc(c2ccccc12)S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"381016"	NA
"667001"	667001	"tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate"	"CC(C)(C)OC(=O)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	""	""	1	1	"135409213"	NA
"667003"	667003	""	"CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O"	0	NA	NA	1	1	"512121"	NA
"667006"	667006	"8-Amino-4-aza-6-octynylaziridine"	"NCC#CCNCCCN1CC1"	0	""	""	1	1	"381022"	NA
"667047"	667047	"2-Propenyl estradiol"	"C\C=C\c1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	2	"5468270"	NA
"667049"	667049	"2-Ethenyl estradiol"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(C=C)cc34)[C@@H]1CC[C@@H]2O"	0	""	""	1	1	"381026"	NA
"667057"	667057	"4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	"Cc1ccc2nc(\C=N\c3ccc(Cl)cc3)cc(C)c2c1"	0	""	""	2	2	"381036"	NA
"667058"	667058	"2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	"Cc1ccc2nc(\C=N\c3ccccc3Cl)cc(C)c2c1"	0	""	""	1	1	"381037"	NA
"667059"	667059	""	"Cc1ccnn1CCc2ccc(Cl)cc2Cl"	0	NA	NA	1	1	"512137"	NA
"667064"	667064	"[(Z)-[2-[2-(2-hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea"	"NC(=S)N\N=C/1\C(CCC2(O)CCc3ccccc3C2=O)CCc4ccccc14"	0	""	""	1	1	"9571467"	NA
"667065"	667065	""	"O=C1C(CN2CCCC2)CCC1CN3CCCC3"	0	NA	NA	2	2	"512142"	NA
"667067"	667067	""	"O=C(CCN1CCN(CCC(=O)\C=C\c2ccccc2)CC1)\C=C\c3ccccc3"	0	NA	NA	1	1	"512144"	NA
"667070"	667070	"2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium iodide"	"CCCCCCCCCCCCCCCC1(C[N+](C)(C)CCO1)OC"	0	""	""	1	1	"381050"	NA
"667071"	667071	"[(2R,3S,3Ar)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)methanone"	"C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N3C4CC5CCC4(CS3(=O)=O)C5(C)C"	0	""	""	1	1	"381052"	NA
"667072"	667072	"N-[(3-cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide"	"O=C(NC(=S)Nc1nc2CCCCc2c(c3ccccc3)c1C#N)c4ccccc4"	0	""	""	1	1	"3004991"	NA
"667076"	667076	"2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	"CSc1nc(N)c2c(c3CCCCc3nc2n1)c4ccccc4"	0	""	""	1	1	"381057"	NA
"667078"	667078	"5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	"Nc1nc(SCCc2ccccc2)nc3nc4CCCCc4c(c5ccccc5)c13"	0	""	""	1	1	"381059"	NA
"667079"	667079	"2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone"	"Nc1nc(SCC(=O)c2ccccc2)nc3nc4CCCCc4c(c5ccccc5)c13"	0	""	""	1	1	"381060"	NA
"667080"	667080	"2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine"	"CCSc1nc(N)c2c(c3CCCc3nc2n1)c4ccccc4"	0	""	""	1	1	"381061"	NA
"667088"	667088	"5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine"	"COc1ccc(cc1OC)c2c(c(C)nc3nc(SC)nc(SC)c23)c4ccccc4"	0	""	""	1	1	"381069"	NA
"667223"	667223	"8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene"	"COc1ccc(cc1)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	1	1	"381073"	NA
"667224"	667224	"LS-39255"	"COc1cccc2C=C(C(Oc12)c3ccc(Cl)cc3)[N+](=O)[O-]"	0	""	""	1	1	"42460"	NA
"667225"	667225	"4-(6-chloro-3-nitro-2H-chromen-2-yl)benzonitrile"	"[O-][N+](=O)C1=Cc2cc(Cl)ccc2OC1c3ccc(cc3)C#N"	0	""	""	2	2	"381074"	NA
"667226"	667226	"4-(8-methoxy-3-nitro-2H-chromen-2-yl)benzonitrile"	"COc1cccc2C=C(C(Oc12)c3ccc(cc3)C#N)[N+](=O)[O-]"	0	""	""	1	1	"381075"	NA
"667227"	667227	"J-501934"	"Oc1ccc(cc1)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	"5468276"	NA
"667228"	667228	""	"COc1cc(\C=C\2/CC(C)C\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	2	1	"512174"	NA
"667231"	667231	"Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate"	"CCOC(=O)CC1C(C(=O)Oc2cc(O)ccc12)c3ccc(N)cc3"	0	""	""	1	1	"381080"	NA
"667251"	667251	"2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-"	"CN(C)c1cccc(\C=C(/C#N)\c2ccccc2)c1"	0	""	""	3	2	"5351425"	NA
"667252"	667252	"2,4-pentadienenitrile, 5-[4-(dimethylamino)phenyl]- 2-ph..."	"CN(C)c1ccc(\C=C\C=C(\C#N)/c2ccccc2)cc1"	0	NA	NA	3	3	"512197"	NA
"667261"	667261	"2-propenenitrile, 3-[4-(dimethylamino)phenyl]- 2-phenyl-"	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	1	1	"512205"	NA
"667262"	667262	"Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate"	"CCOC(=O)CCc1ccc(NC(=O)\C=C\c2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	2	2	"5935594"	NA
"667264"	667264	"STK000877"	"OC(=O)C(=Cc1oc(cc1)c2ccc(cc2)[N+](=O)[O-])C(=O)O"	0	""	""	1	1	"381101"	NA
"667269"	667269	"2-(5-Nitro-2-furyl)prop-2-enamide"	"NC(=O)C(=C)c1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"381106"	NA
"667275"	667275	"Perfragilin B"	"CSC1=C(SC)C(=O)C2=CC(=O)N(C)C=C2C1=O"	0	""	""	2	2	"381111"	NA
"667276"	667276	"(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol"	"OC1\C=C/C#CCSCC#C1"	0	""	""	1	1	"5468277"	NA
"667277"	667277	"[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate"	"O=C(OC1\C=C/C#CCSCC#C1)c2cnc3ccccc3n2"	0	""	""	1	1	"5468278"	NA
"667378"	667378	"5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile"	"NC1=C(NC(=S)N1)C#N"	0	""	""	1	1	"3004998"	NA
"667379"	667379	"N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide"	"O=C(Nc1nc2C(=O)NC=Nc2s1)c3ccccc3"	0	""	""	1	1	"381117"	NA
"667383"	667383	""	"CCO\C=N/c1c(C#N)c(cn1c2ccc(C)cc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"512229"	NA
"667385"	667385	"12-(4-Chlorophenyl)-4-methyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"CC1=NN2C=Nc3c(C2N1)c(cn3c4ccc(C)cc4)c5ccc(Cl)cc5"	0	""	""	1	1	"381123"	NA
"667386"	667386	"12-(4-Chlorophenyl)-10-(4-methylphenyl)-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4C5NC(=NN5C=Nc24)c6cccs6"	0	""	""	1	1	"381124"	NA
"667387"	667387	"12-(4-Chlorophenyl)-4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4C5NC(=NN5C=Nc24)c6occc6"	0	""	""	1	1	"381125"	NA
"667439"	667439	"N,N-didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide"	"CCCCCCCCCCN(CCCCCCCCCC)C(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C)c4OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C)c3OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C"	0	""	""	1	1	"381126"	NA
"667440"	667440	"N,N-bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetamide"	"COCCN(CCOC)C(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc1cc(c2)C(C)(C)C)c6OCC(=O)N(CCOC)CCOC)C(C)(C)C)c5OCC(=O)N(CCOC)CCOC)C(C)(C)C)c4OCC(=O)N(CCOC)CCOC)C(C)(C)C)c3OCC(=O)N(CCOC)CCOC)C(C)(C)C"	0	""	""	1	1	"381127"	NA
"667444"	667444	""	NA	0	NA	NA	3	2	"582000"	NA
"667445"	667445	"2-Phenyl-6-(pyrrolidin-1-yl)quinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCCC3)c4ccccc4"	0	""	""	2	2	"381128"	NA
"667446"	667446	"2-(3-Methoxyphenyl)-6-(piperidin-1-yl)quinolin-4(1H)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCCC4"	0	""	""	2	2	"381129"	NA
"667447"	667447	"2-Phenyl-6-(piperidin-1-yl)quinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCCCC3)c4ccccc4"	0	""	""	2	2	"381130"	NA
"667448"	667448	"6-(Morpholin-4-yl)-2-phenylquinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCOCC3)c4ccccc4"	0	""	""	2	2	"381131"	NA
"667449"	667449	"KUC100232"	"COc1cc2NC(=CC(=O)c2cc1OC)c3ccccc3"	0	""	""	2	2	"381132"	NA
"667450"	667450	"2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	2	2	"381133"	NA
"667451"	667451	"2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	2	2	"381134"	NA
"667452"	667452	"Neuro_000400"	"COc1cccc(c1)C2=CC(=O)c3cc(Cl)cnc3N2"	0	""	""	4	3	"381135"	NA
"667454"	667454	"5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde"	"O=Cc1oc(cc1)c2nccc3c4ccccc4[nH]c23"	0	""	""	4	3	"381136"	NA
"667456"	667456	"2-phenyl-4H-1,4-benzothiazine-3-thione"	"S=C1Nc2ccccc2SC1c3ccccc3"	0	""	""	1	1	"3004999"	NA
"667460"	667460	"7-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	"Clc1ccc2SC(CC(=S)Nc2c1)c3ccccc3"	0	""	""	1	1	"3005001"	NA
"667461"	667461	"8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	"Clc1ccc2NC(=S)CC(Sc2c1)c3ccccc3"	0	""	""	1	1	"3005002"	NA
"667463"	667463	"Maybridge4_003408"	"S=C1CC(Sc2ccccc2N1)c3ccccc3"	0	""	""	1	1	"2728652"	NA
"667468"	667468	"3,5-dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione"	"S=C1CCSc2c(N1)ccc3ccccc23"	0	""	""	1	1	"3005007"	NA
"667471"	667471	"STK766820"	"COc1ccc(cc1OC)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	1	1	"381153"	NA
"667472"	667472	"2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-"	"[O-][N+](=O)C1=Cc2cc(Cl)ccc2OC1c3cccc4ccccc34"	0	""	""	2	2	"381154"	NA
"667481"	667481	""	"OCC1OC(CC1O)N2C=C(N=NNCCc3ccccc3)C(=O)NC2=O"	0	NA	NA	1	1	"512274"	NA
"667482"	667482	""	"OCC1OC(CC1O)N2C=C(N=NNCCCc3ccccc3)C(=O)NC2=O"	0	NA	NA	1	1	"512275"	NA
"667503"	667503	"AN-689/41741191"	"CN(C)c1ccc(cc1)\N=C/2\N\C(=N/c3ccccc3)\C(=N\c4ccccc4)\S2"	0	""	""	1	1	"381173"	NA
"667505"	667505	""	"COC(=O)[C@@H](NC1(c2ccccc2)c3ccccc3c4ccccc14)[C@H](OC(=O)[C@H]5CCCN5S(=O)(=O)c6ccccc6)C(=O)OC"	0	NA	NA	1	1	"512285"	NA
"667510"	667510	"(5Z)-3-(dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione"	"CN(C)N1C(=O)S\C(=C/c2ccc(cc2)[N+](=O)[O-])\C1=O"	0	""	""	1	1	"5468282"	NA
"667511"	667511	"3-Benzyl-1,3-thiazepane-2,4-dione"	"O=C1CCCSC(=O)N1Cc2ccccc2"	0	""	""	1	1	"381180"	NA
"667512"	667512	"6-Benzamido-N-(2-methylpropyl)-2,4-dioxo-3-phenyl-1H-thieno[2,3-d]pyrimidine-5-carboxamide"	"CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc3NC(=O)N(C(=O)c13)c4ccccc4"	0	""	""	4	2	"381181"	NA
"667513"	667513	"Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate"	"CCOC(=O)c1c(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)nnc(c5ccccc5)c1c6ccccc6"	0	""	""	1	1	"381182"	NA
"667515"	667515	"(3Z)-3-[[2-(1,3-benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione"	"O=C1CSC(=O)/C/1=C\NNc2oc3ccccc3n2"	0	""	""	1	1	"135409216"	NA
"667516"	667516	""	"CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)\C=C\C(=O)OC(C)(C)C"	0	NA	NA	1	1	"512295"	NA
"667518"	667518	"3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione"	"OC1(CC(C2C1C(=O)Nc3ccccc3C2=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"381187"	NA
"667519"	667519	""	"O=C(Cc1ccccc1)N[C@@H]2COC(=O)C3CCCN3C(=O)[C@@H]4CCCN4C2=O"	0	NA	NA	1	1	"512298"	NA
"667520"	667520	"2-phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide"	"O=C(Cc1ccccc1)N[C@@H]2COC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C2=O"	0	""	""	1	1	"381189"	NA
"667521"	667521	""	"C[C@@H]1OC2(O)[C@@H]3CCCN3C(=O)N(Cc4ccccc4)N2C1=O"	0	NA	NA	1	1	"512300"	NA
"667522"	667522	""	"O=C1NN(Cc2ccccc2)C(=O)N3CCC[C@@H]13"	0	NA	NA	1	1	"512301"	NA
"667526"	667526	""	"CC1=CC(=C(C#N)C(=S)N1C2OC(CO)C(O)C(O)C2O)c3cccc4ccccc34"	0	NA	NA	1	1	"512305"	NA
"667527"	667527	"[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4cccc5ccccc45"	0	""	""	1	1	"381196"	NA
"667529"	667529	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4ccc(Cl)cc4"	0	NA	NA	1	1	"512308"	NA
"667531"	667531	"4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C4=C2CCCC4"	0	""	""	1	1	"381200"	NA
"667532"	667532	""	"OCC1OC(C(O)C(O)C1O)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4occc4"	0	NA	NA	1	1	"512311"	NA
"667533"	667533	"Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(Cl)cc3)C#N"	0	""	""	2	1	"381202"	NA
"667534"	667534	""	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(OC)cc3)C#N"	0	NA	NA	1	1	"512313"	NA
"667535"	667535	"Ethyl 5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3cccc4ccccc34)C#N"	0	""	""	1	1	"381203"	NA
"667538"	667538	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)C)C#N"	0	NA	NA	1	1	"512317"	NA
"667539"	667539	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)C)C#N"	0	NA	NA	1	1	"512318"	NA
"667542"	667542	""	"CCC1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1C)C#N"	0	NA	NA	1	1	"512321"	NA
"667545"	667545	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N)c4ccccc4"	0	NA	NA	2	1	"512324"	NA
"667547"	667547	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3cccc4ccccc34)C#N)c5ccccc5"	0	NA	NA	1	1	"512326"	NA
"667548"	667548	"5-Acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC(=O)C1=C(C)N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N"	0	""	""	1	1	"381214"	NA
"667549"	667549	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N)c4ccccc4"	0	NA	NA	1	1	"512328"	NA
"667550"	667550	""	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)C)c4ccccc4"	0	NA	NA	1	1	"512329"	NA
"667554"	667554	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3cccc4ccccc34)C#N)c5ccccc5"	0	NA	NA	1	1	"512333"	NA
"667556"	667556	"[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C(=O)C)C"	0	""	""	1	1	"381219"	NA
"667557"	667557	"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4ccc(Cl)cc4)C#N"	0	""	""	1	1	"381220"	NA
"667560"	667560	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3occc3)C"	0	NA	NA	1	1	"512339"	NA
"667561"	667561	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3cccc4ccccc34)C"	0	NA	NA	1	1	"512340"	NA
"667562"	667562	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4cccc5ccccc45)C#N"	0	NA	NA	1	1	"512341"	NA
"667563"	667563	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3occc3)C"	0	NA	NA	1	1	"512342"	NA
"667564"	667564	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4cccc5ccccc45)C#N"	0	NA	NA	1	1	"512343"	NA
"667640"	667640	"Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	3	2	"381232"	NA
"667641"	667641	"N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	3	2	"381234"	NA
"667642"	667642	"cryptophycin"	"COc1ccc(CC2NC(=O)\C=C\CC(OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)C(C)C3OC3c4ccccc4)cc1Cl"	0	""	""	2	2	"5468287"	NA
"667644"	667644	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCN4CCCCC4)c12"	0	NA	NA	2	2	"512352"	NA
"667645"	667645	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCC[N+]4([O-])CCCCC4)c12"	0	NA	NA	2	2	"512353"	NA
"667646"	667646	"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea"	"OCC1OC(NC(=S)NCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O"	0	""	""	1	1	"3005009"	NA
"667652"	667652	""	"COC1OC(COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O"	0	NA	NA	1	1	"512360"	NA
"667654"	667654	""	"CCOC(=O)\C=C(/N=P(c1ccccc1)(c2ccccc2)c3ccccc3)\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	NA	NA	1	1	"512362"	NA
"667672"	667672	"4-IBP"	"Ic1ccc(cc1)C(=O)NC2CCN(Cc3ccccc3)CC2"	0	""	""	1	1	"132995"	NA
"667705"	667705	"(2Z)-3-phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one"	"Cc1ccc(cc1)n2cnc3c(N\N=C\4/SCC(=O)N4c5ccccc5)ncnc23"	0	""	""	1	1	"9571867"	NA
"667706"	667706	"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea"	"CNC(=S)NNc1ncnc2c1c(cn2c3ccc(C)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	"3001720"	NA
"667707"	667707	"1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4c(NNC(=S)NCc5ccccc5)ncnc24"	0	""	""	1	1	"3001721"	NA
"667708"	667708	"(2Z)-2-[[5-(4-Chlorophenyl)-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazinylidene]-3-methyl-1,3-thiazolidin-4-one"	"CN1C(=O)CS/C/1=N\Nc2ncnc3c2c(cn3c4ccc(C)cc4)c5ccc(Cl)cc5"	0	""	""	1	1	"9571868"	NA
"667718"	667718	"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCC3)C(=C(C#N)C2=S)c4occc4"	0	""	""	1	1	"381282"	NA
"667722"	667722	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccccc3)C(=C(C#N)C2=S)C)C"	0	NA	NA	1	1	"512398"	NA
"667723"	667723	"[3,4,5-Triacetyloxy-6-[5-cyano-2,4-dimethyl-3-[(4-methylphenyl)diazenyl]-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccc(C)cc3)C(=C(C#N)C2=S)C)C"	0	""	""	1	1	"381287"	NA
"667725"	667725	"[3,4,5-Triacetyloxy-6-[3-[(4-chlorophenyl)diazenyl]-5-cyano-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccc(Cl)cc3)C(=C(C#N)C2=S)C)C"	0	""	""	1	1	"381289"	NA
"667727"	667727	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)N=Nc4ccc(C)cc4)C#N"	0	NA	NA	1	1	"512403"	NA
"667728"	667728	"[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(cc1)N=NC2=C(N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=S)C(=C2C)C#N)c4ccccc4"	0	""	""	1	1	"381292"	NA
"667730"	667730	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)N=Nc4ccc(Cl)cc4)C#N"	0	NA	NA	1	1	"512406"	NA
"667731"	667731	"4,6-Dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(N=Nc2ccccc2)C(=C(C#N)C(=S)N1C3OC(CO)C(O)C(O)C3O)C"	0	""	""	1	1	"381294"	NA
"667734"	667734	""	"CC1=C(N=Nc2ccc(Cl)cc2)C(=C(C#N)C(=S)N1C3OC(CO)C(O)C(O)C3O)C"	0	NA	NA	1	1	"512410"	NA
"667735"	667735	"4-Methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(C#N)C(=S)N(C2OC(CO)C(O)C(O)C2O)C(=C1N=Nc3ccccc3)c4ccccc4"	0	""	""	1	1	"381298"	NA
"667736"	667736	"4-Methyl-5-[(4-methylphenyl)diazenyl]-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(C#N)C(=S)N(C2OC(CO)C(O)C(O)C2O)C(=C1N=Nc3ccc(C)cc3)c4ccccc4"	0	""	""	1	1	"381299"	NA
"667739"	667739	"pyridine-3-carbonitrile, 4-(2-furanyl)- 1-(.beta.-d-gluc..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4occc4)S"	0	""	""	3	2	"381302"	NA
"667740"	667740	"[3,4,5-Triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4cccs4)S"	0	""	""	1	1	"381303"	NA
"667742"	667742	"STK259678"	"CCOc1ccc(NC(=O)\C=C\c2occc2)cc1"	0	""	""	1	1	"963805"	NA
"667745"	667745	"5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione"	"CN1C(O)C(Cl)(Br)C(=O)N(C)C1=O"	0	""	""	1	1	"381307"	NA
"667746"	667746	"Tetradecahydro-2,3-phenazinediamine"	"NC1CC2NC3CCCCC3NC2CC1N"	0	""	""	1	1	"381308"	NA
"667748"	667748	"3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2nc3ccccc3nc2N(S(=O)(=O)c4ccc(C)cc4)S(=O)(=O)c5ccc(C)cc5"	0	""	""	1	1	"381310"	NA
"667759"	667759	"3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c5ccc(C)cc5"	0	""	""	1	1	"381318"	NA
"667844"	667844	"5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde"	"ClCC1=C(NC(=O)NC1=O)C=O"	0	""	""	2	1	"381323"	NA
"667869"	667869	"Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester"	"C[C@H]1[C@H]([O-][B+3](c2ccccc2)(c3ccccc3)[N+]1(C)C)c4ccccc4"	0	""	""	1	1	"495785"	NA
"667870"	667870	"1,1-dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CCCN(CCC)C(=S)N\N=C\c1ccccn1"	0	""	""	2	2	"9554743"	NA
"667872"	667872	"LS-22895"	"S=C(N\N=C\c1ccccn1)N2CCCCCC2"	0	""	""	2	2	"9554747"	NA
"667874"	667874	"3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea"	"CCCN(CCC)C(=S)N\N=C\c1cccc(C)n1"	0	""	""	1	1	"9554748"	NA
"667875"	667875	""	"Cc1cccc(\C=N\NC(=S)N2CCCCC2)n1"	0	NA	NA	1	1	"512472"	NA
"667876"	667876	"N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide"	"Cc1cccc(\C=N\NC(=S)N2CCCCCC2)n1"	0	""	""	2	2	"9554750"	NA
"667877"	667877	"1-[(E)-1-Pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]ethyl]thiourea"	"C\C(=N/NC(=S)NCCNC(=S)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	""	""	2	2	"9554737"	NA
"667880"	667880	"1-Methyl-1-[2-[methyl-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea"	"CN(CCN(C)C(=S)N\N=C(/C)\c1ccccn1)C(=S)N\N=C(/C)\c2ccccn2"	0	""	""	1	1	"9554738"	NA
"667899"	667899	"8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cccc(OC)c5OC)cc1"	0	""	""	1	1	"381359"	NA
"667901"	667901	"N'-[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cccc(C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	"381361"	NA
"667902"	667902	"[[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cccc(C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23)c1OC"	0	""	""	1	1	"381362"	NA
"667903"	667903	"8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cccc(C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	"381363"	NA
"667904"	667904	"1-(8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6h-[1,3]..."	"COc1cccc(C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	"381364"	NA
"667905"	667905	"8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cccc(OC)c4OC"	0	""	""	1	1	"381365"	NA
"667907"	667907	"8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccc(cc1)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	"381367"	NA
"667909"	667909	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5)c1OC"	0	""	""	1	1	"381369"	NA
"667910"	667910	"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine"	"COc1ccc(cc1)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	"381370"	NA
"667911"	667911	"2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	"COc1ccc(cc1)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	"381371"	NA
"667913"	667913	"2-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6h-[1,3]d..."	"CC1C(NNc2ccccc2)Oc3cc4OCOc4cc3C1c5ccccc5O"	0	""	""	1	1	"381373"	NA
"667918"	667918	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NN)Oc3cc4OCOc4cc23"	0	""	""	2	2	"381378"	NA
"667921"	667921	"6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol"	"Oc1ccccc1C(N2CCOCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	"381381"	NA
"667924"	667924	"4-Methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"381384"	NA
"667925"	667925	"hydrazine, 1-[7,8-dihydro-8-(3,4,5-trimethoxyphenyl)- 7-..."	"COc1cc(cc(OC)c1OC)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"381385"	NA
"667926"	667926	"N'-[8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cccc(C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24)c1O"	0	""	""	1	1	"381386"	NA
"667927"	667927	"7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"381387"	NA
"667928"	667928	"N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"381388"	NA
"667930"	667930	"2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCCO)Oc3cc4OCOc4cc23"	0	""	""	2	2	"381390"	NA
"667931"	667931	"6h-1,3-dioxolo[4,5-g][1]benzopyran-6-amine, 7,8-dihydro-..."	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	"381391"	NA
"667932"	667932	"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	"381392"	NA
"667933"	667933	"[[8-(2-Hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cccc(C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23)c1O"	0	""	""	2	2	"381393"	NA
"667934"	667934	"2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol"	"COc1cccc(C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24)c1O"	0	""	""	2	1	"381394"	NA
"667947"	667947	""	"Oc1cc2CCCNc2c(c1)S(=O)(=O)c3ccccc3[N+](=O)[O-]"	0	NA	NA	2	2	"512533"	NA
"667949"	667949	""	"Cc1cc2CCCNc2c(c1)S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-]"	0	NA	NA	1	1	"512535"	NA
"667954"	667954	"4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol"	"Oc1ccc(Cl)cc1CN2CCN(Cc3cc(Cl)ccc3O)C2"	0	""	""	1	1	"381409"	NA
"668002"	668002	"Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate"	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1"	0	""	""	1	1	"381414"	NA
"668003"	668003	"Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate"	"CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1"	0	""	""	1	1	"381415"	NA
"668004"	668004	""	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)O"	0	NA	NA	1	1	"512545"	NA
"668005"	668005	"1-(2-(Acetylamino)-3-methylbutanoyl)proline"	"CC(C)C(NC(=O)C)C(=O)N1CCCC1C(=O)O"	0	""	""	1	1	"381417"	NA
"668018"	668018	"3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid"	"CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O"	0	""	""	1	1	"381430"	NA
"668024"	668024	"Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate"	"O=C(OCc1ccccc1)C(CN2C(=O)c3ccccc3C2=O)(CN4C(=O)c5ccccc5C4=O)C(=O)OCc6ccccc6"	0	""	""	1	1	"381436"	NA
"668047"	668047	"3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid"	"COC(=O)C(Cc1ccccc1)OC(=O)C(N)CC(=O)O"	0	""	""	1	1	"381460"	NA
"668057"	668057	"Methyl 1-(acetylamino)-2-phenylethylcarbamate"	"COC(=O)NC(Cc1ccccc1)NC(=O)C"	0	""	""	1	1	"381470"	NA
"668059"	668059	"1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea"	"COc1ccc(cc1)N(C)C(=O)N(C)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"381472"	NA
"668102"	668102	"(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosane-2,5,7,10,15,19,22-heptone;hydrochloride"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	1	1	"381473"	NA
"668217"	668217	"6-chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene"	"COc1ccc(cc1OC)C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-]"	0	""	""	2	2	"381495"	NA
"668253"	668253	"1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione"	"C=C1CC(CN2CCC(=O)NC2=O)(OC1=O)c3ccccc3"	0	""	""	2	2	"381497"	NA
"668254"	668254	"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"Clc1ccc(cc1)C2(CN3C=CC(=O)NC3=O)CC(=C)C(=O)O2"	0	""	""	2	2	"381498"	NA
"668255"	668255	"1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"COc1ccc(cc1)C2(CN3C=CC(=O)NC3=O)CC(=C)C(=O)O2"	0	""	""	2	2	"381499"	NA
"668256"	668256	"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"C=C1CC(CN2C=CC(=O)NC2=O)(OC1=O)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	"381500"	NA
"668257"	668257	"2,4(1h,3h)-pyrimidinedione, 1-[[2-(4-chlorophenyl)- tetr..."	"CC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(Cl)cc3)C(=O)NC1=O"	0	""	""	2	2	"381501"	NA
"668258"	668258	"5-Methyl-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	"CC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(cc3)c4ccccc4)C(=O)NC1=O"	0	""	""	2	2	"381502"	NA
"668259"	668259	"5-Bromo-1-[[2-(4-bromophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	"BrC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(Br)cc3)C(=O)NC1=O"	0	""	""	2	2	"381503"	NA
"668260"	668260	"2-(5-bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphen..."	"BrC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(cc3)c4ccccc4)C(=O)NC1=O"	0	""	""	2	2	"381504"	NA
"668261"	668261	"GLEMYYHYOHRBLT-UHFFFAOYSA-N"	"CC1(COc2ccc3C=CC(=O)Oc3c2)CC(=C)C(=O)O1"	0	""	""	2	2	"381505"	NA
"668262"	668262	"4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=CC(=O)Oc2cc(OCC3(C)CC(=C)C(=O)O3)ccc12"	0	""	""	2	2	"381506"	NA
"668263"	668263	"3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(Cl)C(=O)Oc2cc(OCC3(C)CC(=C)C(=O)O3)ccc12"	0	""	""	2	2	"381507"	NA
"668264"	668264	"3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(C)c2ccc(OCC3(C)CC(=C)C(=O)O3)c(C)c2OC1=O"	0	""	""	2	2	"381508"	NA
"668265"	668265	"RDEUUWUFJSOERA-UHFFFAOYSA-N"	"C=C1CC(COc2ccc3C=CC(=O)Oc3c2)(OC1=O)c4ccccc4"	0	""	""	2	2	"381509"	NA
"668266"	668266	"4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=CC(=O)Oc2cc(OCC3(CC(=C)C(=O)O3)c4ccccc4)ccc12"	0	""	""	2	2	"381510"	NA
"668267"	668267	"2h-1-benzopyran-2-one, 3-chloro-7-[(tetrahydro-4-methyle..."	"CC1=C(Cl)C(=O)Oc2cc(OCC3(CC(=C)C(=O)O3)c4ccccc4)ccc12"	0	""	""	2	2	"381511"	NA
"668268"	668268	"3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(C)c2ccc(OCC3(CC(=C)C(=O)O3)c4ccccc4)c(C)c2OC1=O"	0	""	""	2	2	"381512"	NA
"668269"	668269	"KKIQVSBZFBKASX-UHFFFAOYSA-N"	"CC1(COC2=CC(=O)Oc3ccccc23)CC(=C)C(=O)O1"	0	""	""	2	2	"381513"	NA
"668270"	668270	"2h-1-benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo..."	"C=C1CC(COC2=CC(=O)Oc3ccccc23)(OC1=O)c4ccccc4"	0	""	""	2	2	"381514"	NA
"668276"	668276	"2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	"C=C1CC(OC1=O)c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2"	0	""	""	2	2	"381520"	NA
"668277"	668277	"2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	"COc1cc(ccc1OCCCN2C(=O)c3ccccc3C2=O)C4CC(=C)C(=O)O4"	0	""	""	2	2	"381521"	NA
"668281"	668281	"(-)-.beta.-l-1-[(2-hydroxymethyl)-1,3-dioxolan-4yl]cytosine"	"NC1=NC(=O)N(C=C1)C2COC(CO)O2"	0	NA	NA	3	3	"512653"	NA
"668293"	668293	"2,4-dibromo-8,9-dichloro-1-nitro-10H-phenothiazine"	"[O-][N+](=O)c1c(Br)cc(Br)c2Sc3ccc(Cl)c(Cl)c3Nc12"	0	""	""	2	2	"3785335"	NA
"668294"	668294	""	"CCCN(CCC)C(=S)N\N=C(\C)/c1ccccc1O"	0	NA	NA	2	2	"512657"	NA
"668296"	668296	""	"C\C(=N\NC(=S)N1CCCCCC1)\c2ccccc2O"	0	NA	NA	2	2	"512659"	NA
"668297"	668297	"1-(2-methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\C)/c2ccccn2"	0	""	""	2	2	"5367237"	NA
"668298"	668298	"1-(2-methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C\c2ccccn2"	0	""	""	3	2	"9554753"	NA
"668299"	668299	""	"CCN(CC)C(=S)N\N=C(\c1ccccc1)/c2ccccn2"	0	NA	NA	2	2	"512662"	NA
"668300"	668300	""	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N3CCCCC3"	0	NA	NA	3	2	"512663"	NA
"668301"	668301	""	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N3CCCCCC3"	0	NA	NA	3	2	"512664"	NA
"668323"	668323	""	"Clc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	NA	NA	3	2	"512674"	NA
"668324"	668324	""	"Clc1cccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)c1"	0	NA	NA	3	2	"512675"	NA
"668325"	668325	""	"Clc1ccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)cc1"	0	NA	NA	3	2	"512676"	NA
"668326"	668326	"1-[Phenyl(2-pyridinyl)methylene]-4-(2-methylphenyl)thiosemicarbazide"	"Cc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	3	2	"6148953"	NA
"668327"	668327	"1-[Phenyl(2-pyridinyl)methylene]-4-(3-methylphenyl)thiosemicarbazide"	"Cc1cccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)c1"	0	""	""	3	3	"5785686"	NA
"668328"	668328	""	"Cc1ccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)cc1"	0	NA	NA	3	2	"512679"	NA
"668329"	668329	""	"COc1ccc(NC(=S)N\N=C(/c2ccccc2)\c3ccccn3)cc1"	0	NA	NA	3	2	"512680"	NA
"668330"	668330	""	"[O-][N+](=O)c1ccc(NC(=S)N\N=C(/c2ccccc2)\c3ccccn3)cc1"	0	NA	NA	3	2	"512681"	NA
"668331"	668331	"1-(2-methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	3	2	"5907304"	NA
"668332"	668332	"XQRQVHGTKWQPQV-PDGQHHTCSA-N"	"C\C(=N\NC(=S)Nc1ccccc1C)\c2ccccn2"	0	""	""	3	3	"5923825"	NA
"668333"	668333	"1-(2-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccccc1Cl)\c2ccccn2"	0	""	""	3	2	"5923821"	NA
"668334"	668334	"1-(p-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccc(C)cc1)\c2ccccn2"	0	""	""	3	3	"5892010"	NA
"668335"	668335	"1-(3-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1cccc(Cl)c1)\c2ccccn2"	0	""	""	3	3	"5494177"	NA
"668336"	668336	"1-(m-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1cccc(C)c1)\c2ccccn2"	0	""	""	3	2	"5367272"	NA
"668337"	668337	"2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine"	"CCNC(=S)N\N=C(\C)/c1cccc(n1)\C(=N/NC(=S)NCC)\C"	0	""	""	3	2	"6393657"	NA
"668338"	668338	""	"C\C(=N\NC(=S)N1CCCC1)\c2cccc(n2)\C(=N/NC(=S)N3CCCC3)\C"	0	NA	NA	1	1	"512689"	NA
"668341"	668341	""	"CCN(CC)C(=S)N\N=C(\C)/c1cccc(n1)\C(=N/NC(=S)N(CC)CC)\C"	0	NA	NA	1	1	"512692"	NA
"668348"	668348	""	"N=C1N2C(=Nc3ccccc13)Oc4ccccc24"	0	NA	NA	1	1	"512693"	NA
"668351"	668351	"4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one"	"ClC1CCCC2(Cl)C(=O)NC3(CCCCC3)N=C12"	0	""	""	1	1	"381562"	NA
"668352"	668352	"5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate"	"CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N"	0	""	""	1	1	"381563"	NA
"668360"	668360	"ethanone, 1,1'-[(1,1'-biphenyl)-2,2'-diyl] bis[2-(triphe..."	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4c5ccccc5C(=O)C=P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	2	"381571"	NA
"668366"	668366	"MWJGINGFPOXZFR-PKNBQFBNSA-"	"CCSC(=O)\C=C\1/CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	2	1	"5468313"	NA
"668370"	668370	"3,3-Diiodo-2-phenyl-2-propenal"	"IC(=C(C=O)c1ccccc1)I"	0	""	""	2	2	"381579"	NA
"668371"	668371	"3,3-Diiodo-1,2-diphenyl-2-propen-1-one"	"IC(=C(C(=O)c1ccccc1)c2ccccc2)I"	0	""	""	1	1	"381580"	NA
"668374"	668374	"N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide"	"CC(C)CNC(=O)Cn1c2CCCCc2c3ccccc13"	0	""	""	1	1	"381583"	NA
"668376"	668376	"N-cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide"	"O=C(Cn1c2CCCCc2c3ccccc13)NC4CCCCC4"	0	""	""	1	1	"381585"	NA
"668380"	668380	"Nitrophenyl-azatoxin"	"COc1cc(cc(OC)c1O)[C@H]2N3[C@H](COC3=O)C(Nc4ccc(cc4)[N+](=O)[O-])c5c2[nH]c6ccccc56"	0	""	""	3	3	"381589"	NA
"668382"	668382	"Trihydroxy-azatoxin"	"Oc1cc(cc(O)c1O)[C@H]2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	""	""	1	1	"381591"	NA
"668383"	668383	"N-(2,3-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-N',N'-dimethylethane-1,2-diamine"	"COc1cc2c(NCCN(C)C)nc3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"381592"	NA
"668393"	668393	"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}quinoline-5,8-dione"	"Oc1c(Br)cc(CCNC2=CC(=O)c3ncccc3C2=O)cc1Br"	0	""	""	2	2	"381593"	NA
"668394"	668394	"5,8-quinolinedione, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)e..."	"Oc1c(Br)cc(CCNC2=CC(=O)c3cccnc3C2=O)cc1Br"	0	""	""	3	2	"381594"	NA
"668404"	668404	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6cocc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"381595"	NA
"668405"	668405	"Neuro_000404"	"c1ccc(cc1)\N=C\2/c3ccsc3\C(=N\c4ccccc4)\c5ccsc25"	0	""	""	3	2	"381596"	NA
"668406"	668406	"6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one"	"Clc1ccc2OC(=C(C(=O)c2c1)C3=C(Oc4ccc(Cl)cc4C3=O)c5ccccc5)c6ccccc6"	0	""	""	2	2	"381597"	NA
"668408"	668408	"6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one"	"Clc1cc2C(=O)C=C(Oc2c(c1)c3cc(Cl)cc4C(=O)C=C(Oc34)c5ccccc5)c6ccccc6"	0	""	""	1	1	"381599"	NA
"668409"	668409	"4-Methyl-2-(1,3-thiazol-4-yl)phenol"	"Cc1ccc(O)c(c1)c2cscn2"	0	""	""	1	1	"381600"	NA
"668410"	668410	"2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol"	"Cc1cc(Br)c(O)c(c1)c2cscn2"	0	""	""	1	1	"381601"	NA
"668411"	668411	"4-Methyl-2-nitro-6-(1,3-thiazol-4-yl)phenol"	"Cc1cc(c(O)c(c1)[N+](=O)[O-])c2cscn2"	0	""	""	1	1	"381602"	NA
"668414"	668414	"azobis-n,n'-dimethyleneisobutyroamidine"	"CC(C)(N=NC(C)(C)C1=NCCN1)C2=NCCN2"	0	""	""	2	1	"88715"	"20858122"
"668419"	668419	""	"COC(=O)\C=C(\C(=O)OC)/c1c(C)c(C)c2c(C)cc(C)cc(C)c12"	0	NA	NA	1	1	"512743"	NA
"668421"	668421	"4(1h)-quinolinone, 6-(1-pyrrolidinyl)- 2-[3-(trifluorome..."	"FC(F)(F)Oc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	"381608"	NA
"668426"	668426	"Diethyl 2-[[5-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCC)C(=O)OCC"	0	""	""	1	1	"381613"	NA
"668429"	668429	""	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	"512753"	NA
"668432"	668432	"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc7c[nH]c8ccccc78)NC(=O)C(Cc9c[nH]c%10ccccc9%10)NC(=O)C(Cc%11c[nH]c%12ccccc%11%12)NC(=O)OC(C)(C)C"	0	""	""	1	1	"16129895"	NA
"668434"	668434	"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc7c[nH]c8ccccc78)NC(=O)OC(C)(C)C"	0	""	""	1	1	"381617"	NA
"668448"	668448	"Methyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate"	"COC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CNC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	"381625"	NA
"668454"	668454	"(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester"	"CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C"	0	""	""	1	1	"381632"	NA
"668457"	668457	"Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-"	"CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)N2CCCC2C(=O)N"	0	""	""	1	1	"381635"	NA
"668460"	668460	"Benzyl 2-[[1-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate"	"Cc1ccc(cc1)S(=O)(=O)n2cnc(CC(NC(=O)C3CCC(=O)N3C(=O)OCc4ccccc4)C(=O)N5CCCC5C(=O)NN)c2"	0	""	""	1	1	"381638"	NA
"668467"	668467	"LS-65387"	"CN(C)CCNc1c(sc2ccc(Cl)cc12)[N+](=O)[O-]"	0	""	""	1	1	"381648"	NA
"668468"	668468	"LS-41101"	"[O-][N+](=O)c1sc2ccc(Cl)cc2c1Nc3ccc(Cl)cc3"	0	""	""	1	1	"381649"	NA
"668470"	668470	"ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate"	"CCOC(=O)Nc1ccc2c3ccccc3nc(CCCCCCc4nc5ccccc5c6ccc(NC(=O)OCC)cc46)c2c1"	0	""	""	1	1	"381651"	NA
"668473"	668473	"2-amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(NC(=O)C4=C(N)C(=O)C(=C5Oc6c(C)ccc(C(=O)NC7C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C8CCCN8C(=O)C(Cc9ccccc9)NC7=O)c6N=C45)C)C(C)OC1=O"	0	""	""	2	2	"16129896"	NA
"668475"	668475	"2-amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"COc1ccc(CC2NC(=O)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(Cc8ccc(OC)cc8)NC6=O)c5N=C34)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C9CCCN9C2=O)cc1"	0	""	""	2	1	"16129898"	NA
"668476"	668476	"2-amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)O)c5N=C34)C)C(C)OC1=O)C(C)O"	0	""	""	2	2	"381654"	NA
"668482"	668482	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-phenylthiourea"	"C\C(=N\NC(=S)Nc1ccccc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3)\C"	0	""	""	2	2	"6374206"	NA
"668483"	668483	"1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccc(Cl)cc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccc(Cl)cc3)\C"	0	""	""	1	1	"6376018"	NA
"668485"	668485	"1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccccc1Cl)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3Cl)\C"	0	""	""	1	1	"5905475"	NA
"668486"	668486	"1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"COc1ccc(NC(=S)N\N=C(\C)/c2cccc(n2)\C(=N/NC(=S)Nc3ccc(OC)cc3)\C)cc1"	0	""	""	1	1	"6375828"	NA
"668488"	668488	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1ccc(C)cc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccc(C)cc3)\C"	0	""	""	1	1	"6371881"	NA
"668489"	668489	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1cccc(C)c1)\c2cccc(n2)\C(=N/NC(=S)Nc3cccc(C)c3)\C"	0	""	""	1	1	"6373421"	NA
"668490"	668490	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1ccccc1C)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3C)\C"	0	""	""	1	1	"6172220"	NA
"668491"	668491	"1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\C)/c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3OC)\C"	0	""	""	1	1	"5869044"	NA
"668493"	668493	"1,1-diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"CCN(CC)C(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	1	1	"381665"	NA
"668494"	668494	"CBMicro_023136"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCC3"	0	""	""	2	2	"381666"	NA
"668495"	668495	"N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCCC3"	0	""	""	1	1	"381667"	NA
"668496"	668496	"STK396880"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCCCC3"	0	""	""	1	1	"381668"	NA
"668497"	668497	"Z44893431"	"Clc1ccccc1NC(=S)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	"3005057"	NA
"668498"	668498	"1-(3-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"Clc1cccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)c1"	0	""	""	1	1	"3005058"	NA
"668499"	668499	"1-(4-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"Clc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	"3005059"	NA
"668501"	668501	"ARONIS017818"	"Cc1cccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)c1"	0	""	""	1	1	"772848"	NA
"668502"	668502	"ARONIS017815"	"Cc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	"707890"	NA
"668503"	668503	"STK795112"	"COc1ccccc1NC(=S)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	"930589"	NA
"668523"	668523	"n,n-bis(2-chloropropyl)-n-methylammonium chloride"	"CC(Cl)CN(C)CC(C)Cl"	0	NA	NA	1	1	"512833"	NA
"668525"	668525	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCc4cccc[n+]4[O-])c12"	0	NA	NA	2	2	"582027"	NA
"668555"	668555	"pectenotoxin ii"	"C[C@H]1C[C@]2(C)CC[C@H](O2)[C@]34CC[C@](C)(C[C@H](O3)[C@@H]5O[C@@](C)(CC5=O)[C@@H](O)[C@H]6CC[C@@]7(CCC[C@@H](O7)[C@H](C)C(=O)O[C@H]8C[C@@H](O[C@H]8\C=C\C(=C\1)\C)[C@]9(O)OCC[C@H](C)[C@@H]9O)O6)O4"	0	""	""	2	2	"5468320"	"97564915"
"668569"	668569	"1-[1-(2,5-Dihydro-1H-pyrrole-2-carbonyl)-2,5-dihydropyrrole-2-carbonyl]-2,5-dihydropyrrole-2-carboxylic acid"	"OC(=O)C1C=CCN1C(=O)C2C=CCN2C(=O)C3NCC=C3"	0	""	""	1	1	"381711"	NA
"668579"	668579	"Benzyl 2-[[3-(1H-imidazol-5-yl)-1-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]cn3)NC(=O)C4CCC(=O)N4C(=O)OCc5ccccc5"	0	""	""	1	1	"381719"	NA
"668599"	668599	"4-(3-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1cccc(c1)N2C(=O)C3C4CC(C)CCC4c5c([nH]c6ccc(C)cc56)C3C2=O"	0	""	""	1	1	"381739"	NA
"668600"	668600	"4-(4-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(C)CCC4c5c([nH]c6ccc(C)cc56)C3C2=O"	0	""	""	1	1	"381740"	NA
"668601"	668601	"1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"381741"	NA
"668602"	668602	"1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCCCCCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	"381742"	NA
"668603"	668603	"3-[(E)-2-nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole"	"[O-][N+](=O)\C=C\c1cn(CCCCCn2cc(\C=C\[N+](=O)[O-])c3ccccc23)c4ccccc14"	0	""	""	2	2	"5468322"	NA
"668605"	668605	"11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(CCCCCn5c6ccccc6c7ccc8C(=O)C=CC(=O)c8c57)c23"	0	""	""	2	2	"381745"	NA
"668814"	668814	"kahalide f"	"CC[C@H](C)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(=C\C)\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@H](NC2=O)[C@@H](C)CC)C(C)C)C(C)C"	0	""	"Clinical trial"	1	1	"9898671"	"149204422"
"668822"	668822	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)n2cnc3C(=O)NC(=Nc23)N"	0	NA	NA	2	2	"512900"	NA
"668823"	668823	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	1	1	"512901"	NA
"668824"	668824	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N2C=C(I)C(=NC2=O)N"	0	NA	NA	1	1	"512902"	NA
"668825"	668825	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)N"	0	NA	NA	1	1	"512903"	NA
"668830"	668830	"9-Tert-butyl-4-(2-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4Cl)c5[nH]c6ccccc6c25"	0	""	""	1	1	"381758"	NA
"668831"	668831	"9-Tert-butyl-4-(3,5-dibromophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cc(Br)cc(Br)c4)c5[nH]c6ccccc6c25"	0	""	""	1	1	"381759"	NA
"668832"	668832	"9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	"381760"	NA
"668833"	668833	"9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1cc(ccc1N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C)[N+](=O)[O-]"	0	""	""	1	1	"381761"	NA
"668834"	668834	"4-[tert-butyl(dioxo)[?]yl]benzonitrile"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(cc4)C#N)c5[nH]c6ccccc6c25"	0	""	""	1	1	"381762"	NA
"668835"	668835	"9-Tert-butyl-4-(2,6-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"Cc1cccc(C)c1N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	"381763"	NA
"668836"	668836	"4-Cyclohexyl-9-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC1CCC2C(C1)C3C(C(=O)N(C4CCCCC4)C3=O)c5[nH]c6ccccc6c25"	0	""	""	1	1	"381764"	NA
"668839"	668839	"9-Tert-butyl-4-(2,5-dichlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cc(Cl)ccc4Cl)c5[nH]c6ccccc6c25"	0	""	""	1	1	"381767"	NA
"668842"	668842	"J3.493.451G"	"Cc1[nH]c2ccccc2c1C3=CC(=O)N(C3=O)c4ccccc4"	0	""	""	1	1	"381770"	NA
"668843"	668843	"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione"	"O=C1C=C(C(=O)N1c2ccccc2)c3c([nH]c4ccccc34)c5ccccc5"	0	""	""	1	1	"381771"	NA
"668844"	668844	"8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccc(F)cc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	3	3	"381772"	NA
"668851"	668851	"9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	"381785"	NA
"668876"	668876	"2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid"	"CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc3ccccc3)C(=O)O"	0	""	""	1	1	"381798"	NA
"668890"	668890	"Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate"	"COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)OCc2ccccc2"	0	""	""	1	1	"381817"	NA
"668896"	668896	"Methyl 2-[[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate"	"COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(COCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	"381824"	NA
"668898"	668898	"Methyl 4-methyl-2-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]pentanoate"	"COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	"381826"	NA
"668899"	668899	"Methyl 4-methyl-2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]acetyl]amino]pentanoate"	"COC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	"381827"	NA
"668900"	668900	""	"CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	NA	NA	2	2	"512965"	NA
"668901"	668901	""	"CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	"512966"	NA
"668910"	668910	"Z44602764"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	"381837"	NA
"668911"	668911	"1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=S)Nc2cccc3ccccc23"	0	""	""	1	1	"3755655"	NA
"668912"	668912	"1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2cccc(c2)C(F)(F)F"	0	""	""	1	1	"381839"	NA
"668913"	668913	"1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea"	"COc1ccc(NC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1"	0	""	""	1	1	"381840"	NA
"668915"	668915	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate"	"COC1(C[C@H](C)[C@@]23O[C@]24c5cc(O)ccc5N([C@H]3C#C\C=C/C#C[C@]14O)C(=O)OCC=C)OC"	0	""	""	1	1	"54608202"	NA
"668916"	668916	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate"	"C[C@H]1CC(=O)[C@@]2(O)C#C\C=C/C#C[C@@H]3N(C(=O)OCC=C)c4ccc(O)cc4[C@]25O[C@@]135"	0	""	""	1	1	"54600914"	NA
"668917"	668917	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate"	"COC12C=CC(=O)C=C1[C@@]34O[C@]35[C@@H](C)CC(=O)[C@@]4(O)C#C\C=C/C#C[C@@H]5N2C(=O)OCC=C"	0	""	""	1	1	"54608203"	NA
"668918"	668918	"(1S,2S,5R,8Z,12S,20S)-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one"	"COC1(C[C@H](C)[C@@]23O[C@]24C5=CC(=O)C=CC5=N[C@H]3C#C\C=C/C#C[C@]14O)OC"	0	""	""	2	2	"54608874"	NA
"669020"	669020	"N-[(E)-(2-methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine"	"COc1ccccc1\C=N\Nc2nnc3c4ccccc4c5ncccc5c3n2"	0	""	""	1	1	"9556167"	NA
"669022"	669022	""	"COc1cc(\C=C\C=C\2/CCC\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	1	1	"512991"	NA
"669023"	669023	""	"COc1cc(\C=C\C=C\2/CC(C)C\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	1	1	"512992"	NA
"669034"	669034	""	"COC([C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c2ccccc2)C(O)COC(=O)c3ccccc3)N4C=C(C)C(=O)NC4=O"	0	NA	NA	1	1	"513003"	NA
"669145"	669145	"lychnopholide"	"C\C=C(\C)/C(=O)O[C@H]1C[C@]2(C)OC(=CC2=O)\C(=C/[C@H]3OC(=O)C(=C)[C@H]13)\C"	0	NA	NA	2	2	"513018"	"77448647"
"669146"	669146	"eremantholide c"	"CC(=C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)\C(=C/[C@@H]4OC(=O)[C@@]1(C)[C@@H]24)\C"	0	NA	NA	2	2	"513019"	"69883972"
"669148"	669148	""	"CC(C)C1CC[C@H](C)C[C@@H]1OC(=O)C(C(O)[C@@H]2OC(C)(C)O[C@H]2C3COC(C)(C)O3)C(=O)O[C@H]4C[C@@H](C)CCC4C(C)C"	0	NA	NA	1	1	"513021"	NA
"669149"	669149	"4-Azido-3-benzyl-coumarin"	"[N-]=[N+]=NC1=C(Cc2ccccc2)C(=O)Oc3ccccc13"	0	""	""	1	1	"381886"	NA
"669150"	669150	"3-Azido-3-phenyl-quinoline-2,4-dione"	"[N-]=[N+]=NC1(C(=O)Nc2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	"381888"	NA
"669151"	669151	"4-Azido-3-formyl-1-phenyl-2-quinolone"	"[N-]=[N+]=NC1=C(C=O)C(=O)N(c2ccccc2)c3ccccc13"	0	""	""	1	1	"381889"	NA
"669152"	669152	"1-Azido-2-phenyl-3-phenalenone"	"[N-]=[N+]=NC1=C(C(=O)c2cccc3cccc1c23)c4ccccc4"	0	""	""	1	1	"381891"	NA
"669153"	669153	"3-Azido-1-methyl-3-nonyl-quinoline-2,4-dione"	"CCCCCCCCCC1(N=[N+]=[N-])C(=O)N(C)c2ccccc2C1=O"	0	""	""	1	1	"381893"	NA
"669154"	669154	"4-Azido-2-chloro-3-nitro-quinoline"	"[O-][N+](=O)c1c(Cl)nc2ccccc2c1N=[N+]=[N-]"	0	""	""	2	2	"381894"	NA
"669158"	669158	"1-Azido-2-formyl-benzo[ij]quinolizin-3-one"	"[N-]=[N+]=NC1=C(C=O)C(=O)N2CCCc3cccc1c23"	0	""	""	2	2	"381901"	NA
"669160"	669160	"1-Azido-2-(2-pyridyl)-phenalen-3-one"	"[N-]=[N+]=NC1=C(C(=O)c2cccc3cccc1c23)c4ccccn4"	0	""	""	1	1	"381904"	NA
"669161"	669161	"3-Azido-3-n-heptyl-quinoline-2,4-dione"	"CCCCCCCC1(N=[N+]=[N-])C(=O)Nc2ccccc2C1=O"	0	""	""	1	1	"381906"	NA
"669162"	669162	"4-Azido-2-chloro-3-morpholino-quinoline"	"Clc1nc2ccccc2c(N=[N+]=[N-])c1N3CCOCC3"	0	""	""	1	1	"381907"	NA
"669165"	669165	"4-Azido-3-chloro-1-methyl-2-quinolone"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)Cl"	0	""	""	1	1	"381911"	NA
"669166"	669166	"4-Azido-3-nitro-1-phenyl-2-quinolone"	"[O-][N+](=O)C1=C(N=[N+]=[N-])c2ccccc2N(C1=O)c3ccccc3"	0	""	""	1	1	"381913"	NA
"669167"	669167	"4-Azido-2-chloro-3-cyanoquinoline"	"Clc1nc2ccccc2c(N=[N+]=[N-])c1C#N"	0	""	""	2	2	"381915"	"157027311"
"669228"	669228	"2-trans-n-Penten-1-yl estradiol"	"CCC\C=C\c1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	2	1	"5468333"	NA
"669229"	669229	"2-trans-n-Buten-1-yl-estradiol"	"CC\C=C\c1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCc2cc1O"	0	""	""	1	1	"5468334"	NA
"669254"	669254	""	"CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	1	1	"513054"	NA
"669257"	669257	""	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(N)C(=O)O"	0	NA	NA	1	1	"513057"	NA
"669266"	669266	"2-[Hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium"	"CCCCCCCCCCCCCCCCP(=O)(O)OCC[N+](C)(C)C"	0	""	""	2	2	"381954"	NA
"669268"	669268	"(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide"	"C[C@H](Sc1ccc(C)cc1)[C@@](O)(C(=O)N)c2ccccc2"	0	NA	NA	1	1	"513068"	NA
"669270"	669270	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	1	1	"513070"	NA
"669297"	669297	"3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide"	"CC(=O)N1C(CSC1c2ccccc2)C(=O)NNc3ccccc3"	0	""	""	1	1	"381977"	NA
"669304"	669304	"1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one"	"O=C(CN1CCN(Cc2ccccc2)CC1)N3CCCN4C(=O)c5ccccc5N=C34"	0	""	""	1	1	"381984"	NA
"669322"	669322	""	"CN(\N=C\c1ccc(Cl)c(Cl)c1)C2=NCCCCN2"	0	NA	NA	1	1	"513107"	NA
"669341"	669341	""	"Clc1ccc(NC(=S)NN=C2NCCCCN2)cc1"	0	NA	NA	1	1	"513126"	NA
"669349"	669349	"9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol"	"CC1Cc2cc(O)c(O)cc2c3cc(O)c(O)cc3CC1C"	0	""	""	1	1	"382047"	NA
"669364"	669364	"AC1L8IIJ"	"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC"	0	"PK:YK"	""	2	2	"382057"	NA
"669365"	669365	"AC1L8IIM"	"Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1"	0	"PK:YK"	""	1	1	"382058"	NA
"669377"	669377	""	"CCOP(=O)(OCC)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)N2C=C(C)C(=O)N(C)C2=O"	0	NA	NA	1	1	"513146"	NA
"669380"	669380	"BRD-A75273200-001-06-5"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	"382066"	NA
"669381"	669381	"2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate"	"COc1cc(cc(OC)c1OC(=O)C)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"382067"	NA
"669382"	669382	"2-(4-Hydroxy-3,5-dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	"382068"	NA
"669384"	669384	"2-(4-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one"	"COc1ccc(cc1)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	"382070"	NA
"669393"	669393	"2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine"	"[O-][n+]1ccccc1Sc2nc(Sc3cccc[n+]3[O-])nc(Sc4cccc[n+]4[O-])n2"	0	""	""	2	2	"6712326"	NA
"669441"	669441	"piperidin-4-one, 3,5-bis[(2,3,4-trimethoxyphenyl) methyl..."	"COc1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(OC)c(OC)c3OC)\C2=O)c(OC)c1OC"	0	NA	NA	2	2	"513162"	NA
"669442"	669442	""	"CN1C\C(=C/c2ccc(C)cc2)\C3=C(C1)C(NC(=N3)S)c4ccc(C)cc4"	0	NA	NA	1	1	"513163"	NA
"669443"	669443	""	"CN1C\C(=C/c2ccccc2Cl)\C3=C(C1)C(NC(=N3)S)c4ccccc4Cl"	0	NA	NA	1	1	"513164"	NA
"669445"	669445	"7-Chloro-3-methyl-2-phenylquinolin-4(1H)-one"	"CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccccc3"	0	""	""	1	1	"382086"	NA
"669446"	669446	"4(1H)-Quinolinone, 3-ethyl-2-phenyl-"	"CCC1=C(Nc2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	"382087"	NA
"669448"	669448	"2-Phenylbenzotriazole-4,5-dione oxime"	"O\N=C/1\C(\c2c(C=C1)nn(n2)c3ccccc3)=N\O"	0	""	""	1	1	"382089"	NA
"669452"	669452	"4-nitro-1,2,3-triazolo[4,5-e] benzofurazan"	"[O-][N+](=O)c1cc2[nH]nnc2c3nonc13"	0	""	""	1	1	"6399355"	NA
"669455"	669455	"C12H6N6O4"	"[O-][N+](=O)c1ccc(cc1)n2nc3ccc4c(no[n+]4[O-])c3n2"	0	""	""	1	1	"382096"	NA
"669456"	669456	"7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n2nc3ccc4c(no[n+]4[O-])c3[n+]2[O-]"	0	""	""	2	1	"382097"	NA
"669459"	669459	"2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone"	"COCn1cc(cn1)C2=C(C)C(=O)C(=C(C)C2=O)C"	0	""	""	1	1	"382100"	NA
"669468"	669468	"7-Chloro-5-({2-[(2-hydroxyethyl)amino]ethyl}amino)-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(NCCNCCO)c12"	0	""	""	1	1	"382104"	NA
"669469"	669469	"5-[Bis(2-hydroxyethyl)amino]-7-chloro-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(N(CCO)CCO)c12"	0	""	""	1	1	"382105"	NA
"669471"	669471	"difluoro[?]tetrone"	"FC1=CN2CCCCCCCN3C=C(F)C(=O)N(CCCCCCCN(C2=O)C1=O)C3=O"	0	""	""	1	1	"382107"	NA
"669502"	669502	"Dimethyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(NO)c2)C(=O)OC)C"	0	""	""	1	1	"382109"	NA
"669503"	669503	"Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2ccc(NO)cc2)C(=O)OC)C"	0	""	""	2	2	"382110"	NA
"669504"	669504	"Dimethyl 2,6-dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N=O)C(=O)OC)C"	0	""	""	1	1	"382111"	NA
"669505"	669505	"Dimethyl 2,6-dimethyl-4-(4-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2ccc(cc2)N=O)C(=O)OC)C"	0	""	""	2	2	"382112"	NA
"669506"	669506	"Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(NO)c2)[N+](=O)[O-])C"	0	""	""	2	1	"382113"	NA
"669508"	669508	"3-O-[2-(4-nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	"382115"	NA
"669509"	669509	"5-O-(1,3-dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C"	0	""	""	1	1	"382116"	NA
"669511"	669511	"3-O-[2-(4-nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	"382118"	NA
"669513"	669513	"2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C"	0	""	""	1	1	"382120"	NA
"669514"	669514	"3-O-[2-(4-nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	"382121"	NA
"669516"	669516	"Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N=O)[N+](=O)[O-])C"	0	""	""	1	1	"382123"	NA
"669517"	669517	"Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate"	"COC(=O)c1c(C)nc(C)c(NO)c1c2ccccc2C(F)(F)F"	0	""	""	1	1	"382124"	NA
"669518"	669518	"NI-72"	"COC(=O)c1c(C)nc(C)c(N=O)c1c2ccccc2C(F)(F)F"	0	""	""	1	1	"382125"	NA
"669520"	669520	"Cryptolepinone"	"CN1c2ccccc2C(=O)c3[nH]c4ccccc4c13"	0	""	""	1	1	"178034"	NA
"669577"	669577	"Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate"	"CCOP(=O)(OCC)C(Cc1ccc(OC)c(OC)c1)N=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	"382131"	NA
"669579"	669579	"[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid"	"NC(Cc1ccc(O)c(O)c1)P(=O)(O)O"	0	""	""	1	1	"382133"	NA
"669583"	669583	""	"COC(=O)\C(=C/c1cn(C(=O)C)c2ccccc12)\P(=O)(OC)OC"	0	NA	NA	1	1	"513218"	NA
"669589"	669589	"Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate"	"O=C(CCC(C(=O)OCc1ccccc1)C(=O)OCc2ccccc2)Nc3ccc(OCc4ccccc4)cc3"	0	""	""	1	1	"382145"	NA
"669592"	669592	"N-[(E)-1-dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide"	"COP(=O)(OC)\C(=C\c1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4)\NC=O"	0	""	""	1	1	"5468398"	NA
"669598"	669598	"AXLRKQHOEWAMSP-UHFFFAOYSA-N"	"CC(=O)OCc1cncn1S(=O)(=O)c2ccc(C)cc2"	0	""	""	2	2	"382152"	NA
"669602"	669602	"Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate"	"CCOC(=O)C1=C(c2ccccc2)C13N(Cc4ccccc4)C(=O)C3(c5ccccc5)c6ccccc6"	0	""	""	1	1	"382155"	NA
"669604"	669604	"2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene"	"C1CSCCSc2ccc(SCCSC1)nn2"	0	""	""	1	1	"382156"	NA
"669607"	669607	"2,5,9,12-Tetrathia-20,21-diazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene"	"C1CSCCSc2nnc(SCCSC1)c3ccccc23"	0	""	""	1	1	"382159"	NA
"669610"	669610	""	"COCC(\N=C/N1CCCc2ccccc2[C@@H]1CCCCl)C(C)(C)C"	0	NA	NA	1	1	"513242"	NA
"669615"	669615	""	"COc1cc(OC)cc(c1)N(C)Cc2cnc3nc(N)nc(N)c3c2C"	0	NA	NA	2	2	"513244"	NA
"669634"	669634	"benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate"	"COP(=O)(OC)C(Cc1c[nH]c2ccccc12)NC(=O)OCc3ccccc3"	0	""	""	1	1	"382175"	NA
"669637"	669637	""	"CCOC(=O)\C(=C\c1cn(C(=O)C)c2ccccc12)\P(=O)(OC)OC"	0	NA	NA	1	1	"513258"	NA
"669638"	669638	"N-[(E)-2-(1-acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide"	"COP(=O)(OC)\C(=C\c1cn(C(=O)C)c2ccccc12)\NC(=O)C"	0	""	""	1	1	"5468401"	NA
"669654"	669654	""	"CCC(NC(C)c1ccccc1)C(=O)c2ccc(OCc3ccccc3)c(OCc4ccccc4)c2"	0	NA	NA	1	1	"513275"	NA
"669656"	669656	"tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate"	"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)N"	0	""	""	1	1	"382197"	NA
"669666"	669666	""	"CC(C)(C)OC(=O)NCCc1ccc(N)cc1"	0	NA	NA	1	1	"513287"	NA
"669667"	669667	""	"Nc1ccc(OCC(O)N2C(=O)c3ccccc3C2=O)cc1"	0	NA	NA	1	1	"513288"	NA
"669671"	669671	"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile"	"CC(NC(CC12CC3CC(CC(C3)C1)C2)C#N)c4ccccc4"	0	""	""	1	1	"382213"	NA
"669677"	669677	"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate"	"O=C(CC(NC(=O)OCc1ccccc1)C(=O)Nc2ccc(cc2)C#N)OCc3ccccc3"	0	""	""	2	1	"382220"	NA
"669681"	669681	"phosphinic acid, [1-amino-(3-methylthio)propyl]methyl-"	"CSCCC(N)P(=O)(C)O"	0	""	""	2	1	"382225"	NA
"669697"	669697	"3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one"	"CCCC1=CC=C(OC1=O)C(C)C(O)\C(=C\C\C=C(/C)\C\C(=C\C(=C\CC(O)C(C)C(O)\C(=C\C)\C)\C)\C)\C"	0	""	""	1	1	"5468405"	NA
"669700"	669700	"6-Thiocyanatohexa-1,5-diynyl thiocyanate"	"N#CSC#CCCC#CSC#N"	0	""	""	1	1	"382245"	NA
"669701"	669701	"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate"	"CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1"	0	""	""	1	1	"382246"	NA
"669713"	669713	"[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate"	"CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc2ccccc2"	0	""	""	1	1	"382258"	NA
"669718"	669718	"2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one"	"CC(C)CC1N=C(OCc2ccccc2)OC1=O"	0	""	""	1	1	"382265"	NA
"669727"	669727	"[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate"	"C\C(=C/C=C/C(=C/C(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O)/C)\C=C\C3=C(C)CCCC3(C)C"	0	""	""	2	2	"5468408"	NA
"669728"	669728	"[3-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate"	"C\C(=C/C=C/C(=C/C(=O)OCC1OC(CC1OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)N3C=C(F)C(=O)NC3=O)/C)\C=C\C4=C(C)CCCC4(C)C"	0	""	""	2	2	"5468409"	NA
"669732"	669732	""	"CN(C)CC1CCC\C(=C/c2ccccc2)\C1=O"	0	NA	NA	1	1	"513346"	NA
"669733"	669733	""	"CN(C)CC1CCC\C(=C/c2ccc(C)cc2)\C1=O"	0	NA	NA	1	1	"513347"	NA
"669734"	669734	""	"CN(C)CC1CCC\C(=C/c2ccc(cc2)N(C)C)\C1=O"	0	NA	NA	1	1	"513348"	NA
"669735"	669735	""	"O=C1C(CN2CCCCC2)CCC/C/1=C\c3ccccc3"	0	NA	NA	1	1	"513349"	NA
"669736"	669736	""	"Cc1ccc(\C=C\2/CCCC(CN3CCCCC3)C2=O)cc1"	0	NA	NA	1	1	"513350"	NA
"669738"	669738	"1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one"	"CC(C)C(=O)\C=C\c1ccc(Cl)cc1Cl"	0	""	""	1	1	"5906743"	NA
"669739"	669739	"1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one"	"CC(C)C(=O)\C=C\c1c(Cl)cccc1Cl"	0	""	""	1	1	"5817094"	NA
"669750"	669750	"Tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate"	"COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"	0	""	""	1	1	"382288"	NA
"669755"	669755	"4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid"	"OC(=O)CC(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"382293"	NA
"669757"	669757	"Boc-Asp(OtBu)-ONp"	"CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"382295"	NA
"669759"	669759	"Tert-butyl 4-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate"	"COC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)c1ccccc1"	0	""	""	1	1	"382297"	NA
"669776"	669776	"Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate"	"COC(=O)C1(CC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C"	0	""	""	1	1	"382318"	NA
"669777"	669777	"Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate"	"CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N"	0	""	""	1	1	"382319"	NA
"669781"	669781	""	"COC(=O)C1(CCCCCCC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	NA	NA	1	1	"513385"	NA
"669793"	669793	"1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate"	"C[n+]1cccc2ccc3cccnc3c12"	0	""	""	1	1	"382323"	NA
"669794"	669794	"4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one"	"CC(C)(C)c1cc2OC(=O)Cc2c(c1O)C(C)(C)C"	0	""	""	1	1	"382325"	NA
"669797"	669797	"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate"	"CC(=O)Oc1c(C)cc2N(CC(C)(C)c2c1C)C(=O)C(C)(C)C"	0	""	""	1	1	"382328"	NA
"669800"	669800	"1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol"	"Cc1cn(C(=O)C(C)(C)C)c2c(C)c(C)c(O)c(C)c12"	0	""	""	1	1	"382331"	NA
"669807"	669807	"3-bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide"	"Cc1ccc(NC(=O)c2cccc(OP(=O)(Nc3ccc(C)cc3)Nc4ccc(C)cc4)c2)cc1"	0	""	""	1	1	"382340"	NA
"669816"	669816	"Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate"	"COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	"382347"	NA
"669817"	669817	"Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate"	"COC(=O)C1(CC1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"	0	""	""	1	1	"382348"	NA
"669821"	669821	"Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate"	"CC(C)C(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	2	2	"382352"	NA
"669829"	669829	"4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	"CN1N=C(OC1c2cccc(c2)C(F)(F)F)c3ccncc3"	0	""	""	1	1	"382359"	NA
"669830"	669830	"4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	"CN1N=C(OC1c2ccc(cc2)C(F)(F)F)c3ccncc3"	0	""	""	1	1	"382360"	NA
"669884"	669884	"1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine"	"COc1cccc(c1)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	1	1	"382365"	NA
"669885"	669885	"4-[7-ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"CCC1C(Oc2cc3OCOc3cc2C1c4cc(OC)c(OC)c(OC)c4)N5CCOCC5"	0	""	""	1	1	"382366"	NA
"669886"	669886	"4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"COc1cc(cc(OC)c1OC)C2CC(C)(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	"382367"	NA
"669887"	669887	"Neuro_000405"	"COc1cc(cc(OC)c1OC)C2CC(C)(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	3	2	"382368"	NA
"669888"	669888	"Ethyl 2-[2,6-dimethoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenoxy]acetate"	"CCOC(=O)COc1c(OC)cc(cc1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"382369"	NA
"669889"	669889	"4-[8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"COc1cccc(c1)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	1	1	"382370"	NA
"669936"	669936	"2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-"	"CSC1=C(N(C(=O)N1c2ccccc2)c3ccc(Br)cc3SC)C(=O)c4ccccc4"	0	""	""	1	1	"382378"	NA
"669939"	669939	"1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC1SCc2nc3ccccc3n12"	0	""	""	1	1	"382381"	NA
"669940"	669940	"1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC1(C)SCc2nc3ccccc3n12"	0	""	""	1	1	"382382"	NA
"669942"	669942	"1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC(C)C1SCc2nc3ccccc3n12"	0	""	""	1	1	"382384"	NA
"669943"	669943	"1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	"382385"	NA
"669947"	669947	"F2503-0151"	"Clc1ccc(cc1)C(=O)CSC2=Nc3[nH]ncc3C(=O)N2"	0	""	""	1	1	"135409221"	NA
"669965"	669965	"6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one"	"CN(C)CCNc1ccc2ncnc3c4ccccc4C(=O)c1c23"	0	""	""	3	2	"438787"	NA
"669973"	669973	"Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate"	"COC(=O)Cc1cccc2C(=O)C(=C(Oc12)c3ccccc3)S(=O)(=O)NC(=O)Nc4ccc(Cl)cc4"	0	""	""	1	1	"382412"	NA
"669977"	669977	"6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone"	"CN1CC(=CC2=C1C=CC(=N)/C/2=N\N)c3ccccc3"	0	""	""	1	1	"382414"	NA
"669981"	669981	""	"CC1(CC2\C(=N/O)\CCCC2=[N+]1[O-])N3CCOCC3"	0	NA	NA	1	1	"513479"	NA
"669983"	669983	""	"CC1=NOC2(C1)\C(=N\O)\CCC/C/2=N\O"	0	NA	NA	1	1	"513481"	NA
"669985"	669985	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-"	"Oc1c(cc(c2cc(N3CCOCC3)c(O)c4ccccc24)c5ccccc15)N6CCOCC6"	0	""	""	1	1	"382422"	NA
"669992"	669992	"4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole"	"C(C1COC(=N1)c2cccs2)c3ccccc3"	0	""	""	2	1	"382426"	NA
"669995"	669995	""	"C(N1CCC(CC1)C2CCN(Cc3cccc4ccccc34)CC2)c5cccc6ccccc56"	0	NA	NA	2	2	"513489"	NA
"669997"	669997	"9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine"	"Clc1ccc2OC3=Nc4ccccc4C(=N)N3c2c1"	0	""	""	1	1	"382430"	NA
"669998"	669998	"8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride"	"[O-][N+](=O)c1ccc2N3C(=Nc4ccccc4C3=N)Oc2c1"	0	""	""	1	1	"382432"	NA
"669999"	669999	"8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione"	"CC1=CC(=O)Oc2c1ccc3OC(CC(=O)c23)c4ccc(Br)cc4"	0	""	""	1	1	"382434"	NA
"670006"	670006	"glycine, n,n-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carb..."	"[O-][N+](=O)c1ccc(OC(=O)CN(C(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)O[C@@]56CC7CC(C[C@@H](C7)C5)C6)cc1"	0	""	""	1	1	"382440"	NA
"670007"	670007	""	"CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H]3OC(C)(C)O[C@@H]3C2OC(=O)C"	0	NA	NA	1	1	"513500"	NA
"670013"	670013	"benzene-1,4-dicarboxamide, n,n'-bis[3-[(dimethylamino)me..."	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cc(CN(C)C)cc(c3)N(CC)CCCl)c1"	0	NA	NA	2	2	"513506"	NA
"670036"	670036	"7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione"	"OCC1OC(C(O)C1O)c2scc3C(=S)NC=Nc23"	0	""	""	3	3	"3005067"	NA
"670038"	670038	"Cryptophycin B"	"COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)[C@H](C)[C@H]3O[C@@H]3c4ccccc4)cc1"	0	""	""	2	2	"5468424"	NA
"670049"	670049	""	"Brc1cccc(\C=C\2/CSC\C(=C/c3cccc(Br)c3)\C2=O)c1"	0	NA	NA	1	1	"513528"	NA
"670051"	670051	""	"Clc1ccc(\C=C\2/CSC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	"513530"	NA
"670052"	670052	""	"COc1ccc(\C=C\2/CSC\C(=C/c3ccc(OC)c(OC)c3OC)\C2=O)c(OC)c1OC"	0	NA	NA	1	1	"513531"	NA
"670057"	670057	"(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione"	"COc1ccc(\C=C/2\CSCC3=C2N=C(S)NC3c4ccc(OC)c(OC)c4OC)c(OC)c1OC"	0	""	""	1	1	"6280003"	NA
"670093"	670093	"1-(1-Dimethoxyphosphoryl-1-methyl-ethyl)-3-(trifluoromethyl)urea"	"COP(=O)(OC)C(C)(C)NC(=O)NC(F)(F)F"	0	""	""	1	1	"382487"	NA
"670110"	670110	"N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide"	"CCOP(=O)(OCC)C(C)(CC)N\C(=N/C1=NC(N=C(O1)C(F)(F)F)(C(F)(F)F)C(F)(F)F)\NC(NC(=O)C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"5898147"	NA
"670111"	670111	"N-(2-Diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide"	"FC(F)(F)C(C(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c2ccccc2)C(F)(F)F"	0	""	""	1	1	"382505"	NA
"670112"	670112	""	"CCOP(=O)(OCC)C(C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"513578"	NA
"670115"	670115	""	"FC(F)(F)C(C(=O)Nc1ccc(cc1)S(=O)(=O)\N=C\2/N=CC=CN2C(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"513581"	NA
"670120"	670120	"Aclacinomycin X"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC"	0	""	""	2	2	"382513"	NA
"670121"	670121	"11-Hydroxy aclacinomycin A"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6c(O)c5C1C(=O)OC"	0	""	""	2	1	"438788"	NA
"670122"	670122	"11-Hydroxy aclacinomycin X"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6c(O)c5C1C(=O)OC"	0	""	""	2	1	"438789"	NA
"670123"	670123	"polyozellin"	"CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(=O)C)c4oc5cc(O)c(O)cc5c14"	0	""	""	1	1	"382514"	NA
"670124"	670124	"2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol"	"OCCN=C1c2ccccc2C3C4C(C3c5ccccc15)c6ccccc6C(=NCCO)c7ccccc47"	0	""	""	1	1	"382515"	NA
"670130"	670130	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-butylcarbamate"	"CCCCNC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c3ccccc13"	0	""	""	1	1	"382521"	NA
"670131"	670131	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c3ccccc13"	0	""	""	2	2	"382522"	NA
"670132"	670132	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-phenylcarbamate"	"BrC1C(Br)c2ccccc2C(=NCCOC(=O)Nc3ccccc3)c4ccccc14"	0	""	""	2	1	"382523"	NA
"670134"	670134	"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate"	"[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN=C2c3ccccc3CCc4ccccc24"	0	""	""	1	1	"382525"	NA
"670138"	670138	"[(5h-dibenzo[a,d][7]annulen-5-ylideneamino)oxy](phenyl)m..."	"O=C(ON=C1c2ccccc2C=Cc3ccccc13)c4ccccc4"	0	""	""	2	1	"382529"	NA
"670140"	670140	"5h-dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11..."	"BrC1C(Br)c2ccccc2C(=NOC(=O)c3ccccc3)c4ccccc14"	0	""	""	2	2	"382531"	NA
"670141"	670141	"[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate"	"[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)ON=C2c3ccccc3C(Br)C(Br)c4ccccc24"	0	""	""	2	2	"382532"	NA
"670155"	670155	""	"CC(C)CCCC(C)C1CCC2[C@@H]3CC=C4C(C)(C)\C(=N\NC(=O)C)\CC[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	"513619"	NA
"670159"	670159	""	"CC1(C)CC2[C@H]1CC[C@@](C)(N=O)C(CCC2=C)[N+](=O)[O-]"	0	NA	NA	1	1	"513623"	NA
"670162"	670162	"phosphonium, 1,8-octanediylbis[triphenyl-, diiodide"	"C(CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)CCC[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	"513626"	NA
"670163"	670163	""	"C(CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)CC[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"513627"	NA
"670173"	670173	""	"CC1(C)C2CCC(C2)/C/1=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	"513637"	NA
"670177"	670177	"4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate"	"CC(=O)Oc1c(C)cc(cc1C)c2cc(C)c(OC(=O)C)c(C)c2"	0	""	""	1	1	"382569"	NA
"670178"	670178	"3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate"	"Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(c1)c4ccccc4"	0	""	""	1	1	"382570"	NA
"670225"	670225	"cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl..."	"CN(C)CCO[C@@]1(Cc2ccc(C)cc2)CC[C@H](CC1)C(C)(C)C"	0	NA	NA	2	1	"513659"	NA
"670226"	670226	"trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl..."	"CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C"	0	NA	NA	3	1	"513660"	NA
"670227"	670227	"trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)o..."	"CN(C)CCOC1(CC2CCCCC2)CCC(CC1)C(C)(C)C"	0	""	""	4	1	"5468429"	NA
"670228"	670228	"trans-2-((1-(2,4-dichlorophenyl-methyl)-4-tert.butylcycl..."	"CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(CC1)C(C)(C)C"	0	""	""	2	1	"5468430"	NA
"670230"	670230	"4,5-Dimethyl-11H-pyrido[4,3-a]carbazole"	"Cc1cc2c3ccccc3[nH]c2c4ccnc(C)c14"	0	""	""	2	2	"382590"	NA
"670263"	670263	"2-Ethyl-9-(isopropylideneamino)-2-methyl-1H-purine-6-carboxamide"	"CCC1(C)NC(=C2N=CN(N=C(C)C)C2=N1)C(=O)N"	0	""	""	1	1	"135409229"	NA
"670264"	670264	"9-Benzyl-6-methoxy-2-methyl-9H-purine"	"COc1nc(C)nc2c1ncn2Cc3ccccc3"	0	""	""	1	1	"382623"	NA
"670269"	670269	"4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol"	"Oc1ccc(Cl)cc1c2cc(nc(S)n2)c3ccccc3"	0	""	""	1	1	"3005076"	NA
"670270"	670270	"[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNC(=S)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	"3807643"	NA
"670283"	670283	"2,2'-spirobi[2h-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5..."	"O=C1CCCc2cc3CC4(Cc5cc6CCCC(=O)c6cc5C4)Cc3cc12"	0	""	""	3	2	"382634"	NA
"670284"	670284	"Spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5',9-dione"	"O=C1CCCc2cc3CC4(Cc3cc12)Cc5ccc6CCCC(=O)c6c5C4"	0	""	""	1	1	"382635"	NA
"670289"	670289	"ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate"	"CCOC(=O)\C(=C\c1ccc2CC3(Cc4cc(CC)c(cc4C3)C(C)O)Cc2c1)\C#N"	0	""	""	3	2	"6477478"	NA
"670294"	670294	"Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3cc4CCCc4cc3C2"	0	""	""	1	1	"382646"	NA
"670298"	670298	"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-"	"O=C1c2c(CC13Cc4ccccc4C3)ccc5CCCc25"	0	""	""	1	1	"382650"	NA
"670302"	670302	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-"	"O=C1c2c(CC13Cc4ccccc4C3)ccc5CCCCc25"	0	""	""	2	2	"382654"	NA
"670305"	670305	"2,2'-spirobi[indane]-1'-ol"	"OC1c2ccccc2CC13Cc4ccccc4C3"	0	""	""	1	1	"382657"	NA
"670307"	670307	"Methyl 3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CCCc2cc3CC4(Cc5ccccc5C4=O)Cc13"	0	""	""	1	1	"382659"	NA
"670309"	670309	"5-Acetylspiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one"	"CC(=O)c1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3=O"	0	""	""	1	1	"382661"	NA
"670312"	670312	"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-"	"CC(=O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6cc5C4=O)Cc13"	0	""	""	2	1	"382664"	NA
"670313"	670313	"Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6cc5C4=O)Cc13"	0	""	""	1	1	"382665"	NA
"670315"	670315	"2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one"	"BrC1Cc2cc3CCCc3cc2C1=O"	0	""	""	2	2	"382667"	NA
"670327"	670327	"1h-indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3- dihydr..."	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccccc4C1=O"	0	""	""	1	1	"382679"	NA
"670328"	670328	"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3CCCc3c2)Cc4cc5CCCc5cc4C1=O"	0	""	""	2	1	"382680"	NA
"670329"	670329	"Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate"	"CCOC(=O)C1(Cc2ccc(C)cc2)Cc3ccc(C)cc3C1=O"	0	""	""	3	3	"382681"	NA
"670337"	670337	"Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3cc4CCCc4cc3C2=O"	0	""	""	3	3	"382689"	NA
"670345"	670345	""	"COC(=O)c1ccccc1\C=C\2/Cc3cc4CCCc4cc3C2=O"	0	NA	NA	1	1	"513771"	NA
"670350"	670350	"Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate"	"CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)OCc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"382702"	NA
"670356"	670356	""	"COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	"513782"	NA
"670358"	670358	"Benzyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetate"	"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)OCc3ccccc3"	0	""	""	1	1	"382709"	NA
"670359"	670359	"Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	"COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C"	0	""	""	1	1	"382710"	NA
"670360"	670360	"Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate"	"CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(COCc2ccccc2)NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3"	0	""	""	1	1	"382711"	NA
"670361"	670361	"Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	"CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2"	0	""	""	1	1	"382712"	NA
"670363"	670363	"3,3,3-Trifluoro-2-methoxy-2-phenyl-1-(6-propan-2-yl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-1-yl)propan-1-one"	"COC(C(=O)N1OCC2CN(CC=C)C(C(C)C)C12)(c3ccccc3)C(F)(F)F"	0	""	""	1	1	"382714"	NA
"670390"	670390	""	"CCCCCC[n+]1noc(N)c1c2ccc(cc2)c3c(N)on[n+]3CCCCCC"	0	NA	NA	2	1	"513794"	NA
"670393"	670393	""	"CC(=O)OC1CCC(OC(=O)C)[C@@H]2[C@H]1[C@H]3S[C@@H]2c4ccccc34"	0	NA	NA	1	1	"513797"	NA
"670398"	670398	"1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester"	"CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C"	0	""	""	1	1	"382725"	NA
"670404"	670404	"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-"	"O=C1CCc2cc3CC4(Cc5ccccc5C4)Cc3cc12"	0	""	""	2	2	"382726"	NA
"670405"	670405	"1,1',3,3',6,7-hexahydro-8H-spiro[as-indacene-2,2'-inden]-8-one"	"O=C1CCc2ccc3CC4(Cc5ccccc5C4)Cc3c12"	0	""	""	1	1	"382727"	NA
"670406"	670406	"Spiro[2H-benz[f]indene-2,2'-[2H]inden]-5(1H)-one, 1',3,3',6,7,8-hexahydro-"	"O=C1CCCc2cc3CC4(Cc5ccccc5C4)Cc3cc12"	0	""	""	1	1	"382728"	NA
"670407"	670407	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-"	"O=C1CCCc2ccc3CC4(Cc5ccccc5C4)Cc3c12"	0	""	""	1	1	"382729"	NA
"670408"	670408	"5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one"	"CC(=O)c1ccc2CC3(Cc2c1)Cc4cc5CCC(=O)c5cc4C3"	0	""	""	2	2	"382730"	NA
"670409"	670409	"5-Ethylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one"	"CCc1ccc2CC3(Cc2c1)Cc4cc5CCC(=O)c5cc4C3"	0	""	""	1	1	"382731"	NA
"670410"	670410	"Methyl 4-oxo-4-(6'-oxospiro[1,3-dihydroindene-2,2'-3,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene]-5-yl)butanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccc5C(=O)CCCc5c4C3)Cc2c1"	0	""	""	2	2	"382732"	NA
"670411"	670411	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-"	"OC(=O)CCCc1ccc2CC3(Cc2c1)Cc4cc5CCCCc5cc4C3"	0	""	""	1	1	"382733"	NA
"670412"	670412	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester"	"COC(=O)CCCc1ccc2CC3(Cc2c1)Cc4cc5CCCCc5cc4C3"	0	""	""	1	1	"382734"	NA
"670413"	670413	"4'-Ethyl-5-methylspiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-as-indacene]-1'-one"	"CCc1cc2CC3(Cc4ccc(C)cc4C3)Cc2c5C(=O)CCc15"	0	""	""	1	1	"382735"	NA
"670414"	670414	"2,2'-Spirobiindan-5-carbaldehyd"	"O=Cc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"382736"	NA
"670415"	670415	"methyl (E)-3-(2,2'-spirobi[1,3-dihydroindene]-5-yl)prop-2-enoate"	"COC(=O)\C=C\c1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"5926262"	NA
"670417"	670417	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-"	"OC(=O)CCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"382739"	NA
"670418"	670418	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	"COC(=O)CCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"382740"	NA
"670419"	670419	"Methyl 4-oxo-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)butanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"382741"	NA
"670420"	670420	"2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	"COC(=O)CCCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	"382742"	NA
"670421"	670421	"2,2'-spirobi[indane]-5,5'-dicarbaldehyde"	"O=Cc1ccc2CC3(Cc4ccc(C=O)cc4C3)Cc2c1"	0	""	""	2	2	"382743"	NA
"670422"	670422	""	"COC(=O)\C=C\c1ccc2CC3(Cc4ccc(\C=C\C(=O)OC)cc4C3)Cc2c1"	0	NA	NA	2	1	"513818"	NA
"670423"	670423	"2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester"	"COC(=O)CCc1ccc2CC3(Cc4ccc(CCC(=O)OC)cc4C3)Cc2c1"	0	""	""	1	1	"382745"	NA
"670424"	670424	"Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccc(cc4C3)C(=O)CCC(=O)OC)Cc2c1"	0	""	""	1	1	"382746"	NA
"670425"	670425	"[5'-[(E)-hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol"	"OCc1ccc2CC3(Cc4ccc(\C=N\O)cc4C3)Cc2c1"	0	""	""	2	2	"9556171"	NA
"670426"	670426	"Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	1	1	"382748"	NA
"670427"	670427	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	1	1	"382749"	NA
"670428"	670428	"4-Acetylspiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCC(=O)c6cc5C4)Cc13"	0	""	""	2	2	"382750"	NA
"670429"	670429	"Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)C)c5C4)Cc13"	0	""	""	1	1	"382751"	NA
"670431"	670431	"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)OC)c5C4)Cc13"	0	""	""	1	1	"382753"	NA
"670432"	670432	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)C)c5C4)Cc13"	0	""	""	1	1	"382754"	NA
"670433"	670433	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C=O)c5C4)Cc13"	0	""	""	1	1	"382755"	NA
"670437"	670437	"6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarbaldehyde"	"O=Cc1c2CCCc2cc3CC4(Cc5cc6CCCc6c(C=O)c5C4)Cc13"	0	""	""	1	1	"382759"	NA
"670439"	670439	"1-[4'-(1-hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol"	"CC(O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6c(C(C)O)c5C4)Cc13"	0	""	""	1	1	"382761"	NA
"670453"	670453	"spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione"	"O=C1c2cc3CCCCc3cc2CC14Cc5ccc6CCCc6c5C4=O"	0	""	""	1	1	"382775"	NA
"670460"	670460	"methyl (E)-3-indan-5-ylprop-2-enoate"	"COC(=O)\C=C\c1ccc2CCCc2c1"	0	""	""	1	1	"5923570"	NA
"670547"	670547	"epothilon a and epothilon b (4:1 mixture)"	"C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C.C[C@H]4CCC[C@@]5(C)O[C@H]5C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]4O)\C(=C\c6csc(C)n6)\C"	0	""	""	3	2	"54608765"	NA
"670550"	670550	"7h-pyrrolo[2,3-d]pyrimidine, 5,6-dimethyl- 2,4-bis(methy..."	"Cc1c(C)n(c2ccccc2)c3nc(nc(c13)S(=O)(=O)C)S(=O)(=O)C"	0	""	""	2	2	"382814"	NA
"670551"	670551	"9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine"	"CC(c1ccccc1)n2c3ccccc3c4c(N)ncnc24"	0	""	""	1	1	"382815"	NA
"670558"	670558	"2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene"	"Cc1ccc(cc1)c2cc[n+]3c(oc4ccccc34)n2"	0	""	""	1	1	"382822"	NA
"670561"	670561	"2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-6-methylphenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-3-methylphenol"	"Cc1cccc(O)c1c2nnc(CCCCCCCCc3nnc(c4c(C)cccc4O)n3N)n2N"	0	""	""	2	2	"382825"	NA
"670564"	670564	""	"CC(C)(C)C(=O)O[C@H]1C=C[C@@H](O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@@H]12"	0	NA	NA	1	1	"513899"	NA
"670653"	670653	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate"	"OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"382829"	NA
"670654"	670654	"[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"382830"	NA
"670655"	670655	"4a,14a-epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c] phen..."	"COC1(C[C@H](C)[C@@]23O[C@]24c5cc(O)c6C(=O)c7ccccc7C(=O)c6c5N[C@H]3C#C\C=C/C#C[C@]14O)OC"	0	""	""	3	3	"54608144"	NA
"670656"	670656	"4a,14a-epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c] phen..."	"C[C@H]1CC(=O)[C@@]2(O)C#C\C=C/C#C[C@@H]3Nc4c5C(=O)c6ccccc6C(=O)c5c(O)cc4[C@]27O[C@@]137"	0	""	""	2	2	"54608726"	NA
"670663"	670663	"1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)NO)c4cc5OCOc5cc24"	0	""	""	1	1	"382833"	NA
"670664"	670664	"3,4,7-trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine"	"ClCCN(CCCl)P1(=O)Oc2ccc(Cl)cc2Sc3c(Cl)c(Cl)ccc3O1"	0	""	""	1	1	"382835"	NA
"670667"	670667	"N,N-bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	"Cc1cccc2C(OP(=O)(Oc12)N(CCCl)CCCl)C(Cl)(Cl)Cl"	0	""	""	1	1	"382838"	NA
"670668"	670668	"N,N-bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	"Cc1ccc2OP(=O)(OC(c2c1)C(Cl)(Cl)Cl)N(CCCl)CCCl"	0	""	""	1	1	"382839"	NA
"670671"	670671	"Methyl N-(4-chlorophenyl)sulfonyl-N'-[2-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]ethyl]carbamimidothioate"	"CS\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\NCCN\C(=N\S(=O)(=O)c2ccc(Cl)cc2)\SC"	0	""	""	1	1	"382841"	NA
"670673"	670673	"1,1'-trimethylenebis(3-p-chlorophenylsulfonyl-2-methylis..."	"CS\C(=N\S(=O)(=O)c1ccc(Cl)cc1)\NCCCN\C(=N/S(=O)(=O)c2ccc(Cl)cc2)\SC"	0	""	""	1	1	"382843"	NA
"670678"	670678	"glutamic acid, n-[4-[[[2-(ethoxycarbonyl)-3-quinoxalinyl..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC"	0	""	""	2	2	"382848"	NA
"670683"	670683	"YUBREKBGODHJOS-PKNBQFBNSA-N"	"Brc1ccc(\C=C\2/CCCCC2=O)cc1"	0	""	""	1	1	"5374974"	NA
"670684"	670684	"NIOSH/GW1887500"	"[O-][N+](=O)c1ccc(\C=C\2/CCCCC2=O)cc1"	0	""	""	1	1	"5468452"	NA
"670685"	670685	"2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole"	"Clc1ccc(\C=C\c2nc3ccccc3s2)cc1Cl"	0	""	""	1	1	"5798722"	NA
"670686"	670686	""	"CN(C)CC1CCC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	NA	NA	2	2	"513926"	NA
"670687"	670687	""	"COc1ccc(\C=C\2/CCCC(CN(C)C)C2=O)cc1"	0	NA	NA	2	2	"513927"	NA
"670688"	670688	""	"CN(C)CC1CCC\C(=C/c2ccc(Cl)c(Cl)c2)\C1=O"	0	NA	NA	2	2	"513928"	NA
"670689"	670689	""	"O=C1CCCC1CN2CCCC2"	0	NA	NA	2	2	"513929"	NA
"670692"	670692	"Neuro_000407"	"N1c2ccccc2c3nc4ccccc4c5cccc1c35"	0	""	""	3	2	"438792"	NA
"670694"	670694	"17-Nitro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene"	"[O-][N+](=O)c1ccc2c(c1)nc3c4ccccc4Nc5cccc2c35"	0	""	""	2	2	"438794"	NA
"670695"	670695	"12,20-Diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene"	"N1c2ccccc2c3nc4cc5ccccc5cc4c6cccc1c36"	0	""	""	1	1	"438795"	NA
"670701"	670701	"9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate"	"CC(C)N(CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(C)C"	0	""	""	2	2	"382867"	NA
"670702"	670702	"(Met5,Pro6,D-Phe7,D-Trp9,Phe10)-a-MSH (5-13)"	"CC(C)[N+]([O-])(CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(C)C"	0	""	""	2	2	"382869"	NA
"670757"	670757	"4-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid"	"OC(=O)CCCc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	""	""	1	1	"382880"	NA
"670760"	670760	"Methyl 5-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-5-oxopentanoate"	"COC(=O)CCCC(=O)NC1=C(Nc2ccc(OC)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"382883"	NA
"670762"	670762	"Methyl 4-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	3	2	"382885"	NA
"670763"	670763	"3-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid"	"OC(=O)CCc1nc2C(=O)c3ccccc3C(=O)c2n1c4ccccc4"	0	""	""	1	1	"382886"	NA
"670764"	670764	"Methyl 4-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(NCc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"382887"	NA
"670765"	670765	"3-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid"	"OC(=O)CCc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	""	""	1	1	"382888"	NA
"670766"	670766	"Methyl 4-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(Nc2ccc(OC)cc2)C(=O)c3ccccc3C1=O"	0	""	""	3	2	"382889"	NA
"670774"	670774	""	"COc1cc(\C=C\C=C\2/CC\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	3	3	"513966"	NA
"670779"	670779	"1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea"	"S=C(NCCc1ccccn1)N\N=C\c2ccccn2"	0	""	""	2	2	"9571904"	NA
"670780"	670780	"1-methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C\c2ccccn2"	0	""	""	2	2	"9571905"	NA
"670781"	670781	"1-[(E)-(6-methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea"	"CCCNC(=S)N\N=C\c1cccc(C)n1"	0	""	""	1	1	"9571906"	NA
"670782"	670782	"1-cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)NC2CCCCC2)n1"	0	""	""	2	2	"9571907"	NA
"670783"	670783	""	"C\C(=N/NC(=S)NC1CCCC1)\c2ccccn2"	0	NA	NA	2	2	"513972"	NA
"670784"	670784	""	"CCC(C)NC(=S)N\N=C(/C)\c1ccccn1"	0	NA	NA	2	2	"513973"	NA
"670785"	670785	""	"CCCCCCNC(=S)N\N=C(/C)\c1ccccn1"	0	NA	NA	2	2	"513974"	NA
"670786"	670786	"1-tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CC(C)(C)NC(=S)N\N=C\c1ccccn1"	0	""	""	2	2	"9571908"	NA
"670787"	670787	"1-tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)NC(C)(C)C)n1"	0	""	""	1	1	"9571909"	NA
"670788"	670788	""	"C\C(=N/NC(=S)NC(C)(C)C)\c1ccccn1"	0	NA	NA	2	2	"513977"	NA
"670789"	670789	"9-[(z)-bromoiodomethylidene]-9,10-dihydrophenanthrene-10..."	"Br\C(=C/1\C(=O)c2ccccc2c3ccccc13)\I"	0	""	""	2	2	"3005079"	NA
"670791"	670791	"3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene"	"CC(C)C(Br)CCC(Br)(CBr)C=C"	0	""	""	2	2	"382916"	NA
"670792"	670792	"3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Br)(CBr)C=C"	0	""	""	1	1	"382917"	NA
"670797"	670797	"(3Z)-3-(bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene"	"CC(C)C(Cl)CC\C(=C\Cl)\C(=C)Cl.CC(C)C(Cl)CC\C(=C\Br)\C(=C)Cl"	0	""	""	1	1	"54608172"	NA
"670798"	670798	"3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Br)(CCl)C(=C)Cl.CC(C)C(Cl)CCC(Br)(CCl)C(=C)Br"	0	""	""	1	1	"6712340"	NA
"670799"	670799	"(E)-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	"CC(C)CCC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	"5468474"	NA
"670800"	670800	"2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyltetrahydrofuran"	"CC(C)(Br)C1CCC(CBr)(O1)C=C"	0	""	""	2	1	"382923"	NA
"670802"	670802	"4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene"	"CC(C)C(Br)CCC1=CCC(Br)(Br)C1"	0	""	""	1	1	"382925"	NA
"670803"	670803	"1-octene, 3-(bromomethyl)-2,3,7-trichloro-7-methyl-"	"CC(C)(Cl)CCCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"382926"	NA
"670804"	670804	"3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"382927"	NA
"670805"	670805	"3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene"	"CC(C)(Cl)C(Cl)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"382928"	NA
"670806"	670806	"(E)-3-(bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene"	"CC(C)(Cl)C(Cl)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	"5468475"	NA
"670807"	670807	"2-octene, 1-bromo-3-(bromomethyl)-2,6,7-trichloro-7-methyl-"	"CC(C)(Cl)C(Cl)CC\C(=C(/Cl)\CBr)\CBr"	0	""	""	2	2	"5468476"	NA
"670810"	670810	"(E)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	"CC(C)C(Br)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	"5468477"	NA
"670811"	670811	"(E)-3-(bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene"	"CC(C)C(Cl)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	"5468478"	NA
"670813"	670813	"1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one"	"CC(C)C(Cl)CCC(C)(Cl)C(=O)CBr"	0	""	""	2	2	"382936"	NA
"670816"	670816	"1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one"	"CC(C)(Cl)C(Cl)CCC(C)(Cl)C(=O)CBr"	0	""	""	2	2	"382939"	NA
"670823"	670823	"1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-"	"Cc1nn(c(C)c1Cl)c2cc(Cl)ccc2[N+](=O)[O-]"	0	""	""	1	1	"382940"	NA
"670825"	670825	""	"[K+].OC(=O)C=Cc1ccc(OS(=O)(=O)O)cc1"	0	NA	NA	1	1	"514007"	NA
"670851"	670851	"manzamine a"	"O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c4nccc5c6ccccc6[nH]c45)[C@]7(CC8\C=C/CCCCN8[C@@H]27)C3"	0	""	""	2	1	"5468479"	NA
"670852"	670852	"8-hydroxymanzamine a"	"Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CC[C@@H]4[C@]7(CC8\C=C/CCCCN8[C@@H]57)C6)c3[nH]c12"	0	""	""	2	1	"5468481"	NA
"670862"	670862	""	"C[N+](C)(C)CCCCCc1c2C=Cc([nH]2)c(CCCCC[N+](C)(C)C)c3ccc(n3)c(CCCCC[N+](C)(C)C)c4ccc([nH]4)c(CCCCC[N+](C)(C)C)c5ccc1n5"	0	NA	NA	1	1	"514021"	NA
"670864"	670864	"DA-34354"	"CCOC(=O)c1sc(N)nc1N2CCCC2"	0	""	""	1	1	"382960"	NA
"670865"	670865	"SC-62055"	"N#Cc1c(NCc2ccccc2)snc1N3CCCC3"	0	""	""	1	1	"382961"	NA
"670869"	670869	"2-[(1S)-1-benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione"	"OCc1cccn1C(=O)[C@H](Cc2ccccc2)N3C(=O)c4ccccc4C3=O"	0	""	""	1	1	"473077"	NA
"670871"	670871	""	"CCC(C)OC(=O)\C(=C/1\OC(=O)c2ccccc2c3ccccc13)\Br"	0	NA	NA	1	1	"514028"	NA
"670929"	670929	"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione"	"CC1OC2OC3C(O)C(O)COC3OC(=O)[C@]45CCC(C)(C)CC4C6=CCC7[C@@]8(C)C[C@H](O)[C@H](OC9OC(CO)C(O)C(O)C9OC%10OC(COC(=O)CC(C)(O)CC(=O)OC1C(OC%11OC(CO)C(O)C(O)C%11O)C2O)C(O)C(O)C%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC5"	0	""	""	1	1	"382983"	NA
"670960"	670960	"1-(4-nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"[O-][N+](=O)c1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	"3705169"	NA
"670961"	670961	"1-[(Z)-(2-oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea"	"O=C1Nc2ccccc2/C/1=N/NC(=S)NCc3ccccn3"	0	""	""	2	2	"3005083"	NA
"670962"	670962	"1-(2-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C\c2cccc(C)n2"	0	""	""	2	2	"9571481"	NA
"670963"	670963	"1-(4-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"COc1ccc(NC(=S)N\N=C\c2cccc(C)n2)cc1"	0	""	""	2	2	"9571482"	NA
"670964"	670964	"1-(4-chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)Nc2ccc(Cl)cc2)n1"	0	""	""	1	1	"9571483"	NA
"670965"	670965	"1-(4-chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea"	"Clc1ccc(NC(=S)N\N=C\c2ccccn2)cc1"	0	""	""	2	2	"9571484"	NA
"670968"	670968	"1-methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C\c2cccc(C)n2"	0	""	""	2	2	"9571920"	NA
"670969"	670969	"AB01327238-02"	"S=C(NCc1ccccc1)N\N=C\c2ccccn2"	0	""	""	2	2	"6892730"	NA
"670970"	670970	"[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC=C2[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]4C[C@@H](OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	1	1	"383002"	NA
"670973"	670973	""	"ClCCOCCO[C@@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OCCOCCCl"	0	NA	NA	1	1	"514071"	NA
"670977"	670977	"concanamycin b"	"COC1\C=C\C=C(/C)\CC(C)C(O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/OC)\C(=O)OC1[C@@H](C)C(O)C(C)C2(O)C[C@@H](OC3CC(O)C(OC(=O)N)C(C)O3)C(C)C(O2)\C=C\C"	0	""	""	2	2	"5468506"	"81552332"
"670994"	670994	"7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione"	"CN1C(=O)N(C)c2ncn(CCCCOc3ccc4c(c3)[n+]([O-])nc(N)[n+]4[O-])c2C1=O"	0	""	""	1	1	"135409232"	NA
"670995"	670995	"(Z)-3-[[(4Z)-4-(5,5-dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile"	"CNC1=C\C(=N\C2=C\C(=N\C(=C/C#N)\C(C)(C)O)\OC2(C)C)\OC1(C)C"	0	""	""	2	2	"9571921"	NA
"670998"	670998	"Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate"	"CCOC(=O)CCc1cn2cc(Br)nc(OC)c2n1"	0	""	""	1	1	"383014"	NA
"671002"	671002	"[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate"	"FCS(=O)(=O)OCCC(=O)N1CCN(CC1)C(=O)CCOS(=O)(=O)CF"	0	""	""	3	3	"383018"	NA
"671009"	671009	"2h-thieno[3',4':4,5]cyclopent[1,2-d]oxazole- 2,7(7ah)-di..."	"Brc1sc(Br)c2C(=O)[C@@H]3OC(=O)N[C@@H]3c12"	0	NA	NA	2	2	"514092"	NA
"671012"	671012	"N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide"	"O=C(CCN1CCCCC1)Nc2ccc3Sc4ccccc4C(=O)c3n2"	0	""	""	1	1	"383031"	NA
"671014"	671014	"3-(diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide"	"CCN(CC)CCC(=O)Nc1ccc2Sc3ccccc3C(=O)c2n1"	0	""	""	1	1	"383033"	NA
"671015"	671015	"N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide"	"O=C(CN1CCCC1)Nc2ccc3Sc4ccccc4C(=O)c3n2"	0	""	""	1	1	"383034"	NA
"671017"	671017	""	"[R]\N=C/1\N=C([R])C2=C1SC(Cc3ccccc3)(OCCCC)S2"	0	NA	NA	1	1	"514100"	NA
"671030"	671030	"N8-Actinomycin D"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)cnc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	2	2	"383040"	NA
"671031"	671031	"2-amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)cc(F)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	2	2	"383041"	NA
"671032"	671032	"2-amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6cnc[nH]6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8cnc[nH]8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	""	""	1	1	"16129905"	NA
"671033"	671033	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)O)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)O)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	2	"514108"	NA
"671041"	671041	"2-n-Propoxyestradiol"	"CCCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	3	"383043"	NA
"671042"	671042	"2-i-Propoxyestradiol"	"CC(C)Oc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	2	"383044"	NA
"671043"	671043	"2-ethoxyestra-1,3,5-trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	4	4	"383045"	NA
"671094"	671094	""	"O=C1C=CC2(CCNC3=C2C(=O)c4nc[nH]c4C3=O)C=C1"	0	NA	NA	2	1	"514119"	NA
"671095"	671095	"2',6'-dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4ncccc4C3=O)C=C(Br)C1=O"	0	""	""	2	2	"383051"	NA
"671096"	671096	"2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4[nH]cnc4C3=O)C=C(Br)C1=O"	0	""	""	1	1	"383052"	NA
"671098"	671098	"((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCC#N)c3ccccc3)c4ccccc4"	0	""	""	1	1	"383054"	NA
"671103"	671103	"Ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate"	"CCOC(=O)CSC1=C(C(=O)OCC)C(=O)N(C(=S)N1c2ccccc2)c3ccccc3"	0	""	""	1	1	"383059"	NA
"671107"	671107	"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate"	"COc1ccc(cc1)C(=O)SC2=C(C(=O)N(C(=S)N2c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383063"	NA
"671118"	671118	"N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide"	"C(CN1CCCC1)N(\C(=N\c2ccccc2)\N3CCCC3)c4ccccc4"	0	""	""	1	1	"383074"	NA
"671119"	671119	"N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide"	"CN(C)CCN(\C(=N\c1ccccc1)\N2CCCC2)c3ccccc3"	0	""	""	1	1	"383075"	NA
"671121"	671121	"N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide"	"C(CN1CCCCC1)N(\C(=N\c2ccccc2)\N3CCCCC3)c4ccccc4"	0	""	""	1	1	"383077"	NA
"671122"	671122	"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide"	"CCN(CC)CCN(\C(=N\c1ccccc1)\N2CCCCC2)c3ccccc3"	0	""	""	1	1	"383078"	NA
"671127"	671127	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate"	"Clc1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383083"	NA
"671128"	671128	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate"	"Clc1ccc(C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5)c(Cl)c1"	0	""	""	1	1	"383084"	NA
"671129"	671129	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate"	"COc1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383085"	NA
"671130"	671130	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383086"	NA
"671133"	671133	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate"	"FC(F)(F)c1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383089"	NA
"671134"	671134	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	2	2	"383090"	NA
"671135"	671135	"AO-476/40672135"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3)c4ccccc4)c5ccccc5"	0	""	""	2	2	"383091"	NA
"671136"	671136	"benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro..."	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3Cl)c4ccccc4)c5ccccc5"	0	""	""	3	3	"383092"	NA
"671137"	671137	"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)Oc2c(sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5)C(=O)C"	0	""	""	1	1	"383093"	NA
"671138"	671138	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3occc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383094"	NA
"671139"	671139	"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) thiophene-2-carboxylate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cccs3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383095"	NA
"671141"	671141	"Ethyl 5-(2,4-dichlorobenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3Cl)c4ccccc4)c5ccccc5"	0	""	""	2	2	"383097"	NA
"671142"	671142	"Ethyl 5-(4-methoxybenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(OC)cc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383098"	NA
"671143"	671143	"Ethyl 4-oxo-1,3-diphenyl-2-sulfanylidene-5-(3,4,5-trimethoxybenzoyl)oxythieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383099"	NA
"671144"	671144	"Ethyl 5-(furan-2-carbonyloxy)-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3occc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383100"	NA
"671145"	671145	"Ethyl 4-oxo-1,3-diphenyl-5-(thiophene-2-carbonyloxy)-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cccs3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383101"	NA
"671152"	671152	"N'-(3-aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine"	"NCCCN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN"	0	""	""	1	1	"383108"	NA
"671161"	671161	"Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(NC(=O)C)C(=O)O"	0	NA	NA	1	1	"514186"	NA
"671163"	671163	"Dodecylphosphono-L-serine (di-NH4 salt)"	"CCCCCCCCCCCCP(=O)(O)OCC(N)C(=O)O"	0	NA	NA	1	1	"514188"	NA
"671165"	671165	"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	"383124"	NA
"671166"	671166	"[2,6-Dimethoxy-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl] acetate"	"COc1cc(cc(OC)c1OC(=O)C)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	3	"383125"	NA
"671167"	671167	"2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5"	0	""	""	2	1	"383126"	NA
"671168"	671168	"2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	3	"383127"	NA
"671169"	671169	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol"	"COc1cc(cc(OC)c1O)C2C(C)C(O)Oc3cc4OCOc4cc23"	0	""	""	3	3	"383128"	NA
"671170"	671170	"4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cc(OC)c(O)c(OC)c4"	0	""	""	3	3	"383129"	NA
"671171"	671171	"2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(O)c(OC)c5)cc1"	0	""	""	1	1	"383130"	NA
"671172"	671172	"Neuro_000410"	"COc1cc(cc(OC)c1O)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	3	2	"383131"	NA
"671173"	671173	"2,6-Dimethoxy-4-[7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"383132"	NA
"671174"	671174	"4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NN)Oc3cc4OCOc4cc23"	0	""	""	1	1	"383133"	NA
"671175"	671175	"N'-[8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cc(cc(OC)c1O)C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	"383134"	NA
"671176"	671176	"4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	"383135"	NA
"671177"	671177	"4-[6-(2-Hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NCCO)Oc3cc4OCOc4cc23"	0	""	""	1	1	"383136"	NA
"671178"	671178	"2,6-Dimethoxy-4-[7-methyl-6-(2-propan-2-ylidenehydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NN=C(C)C)Oc3cc4OCOc4cc23"	0	""	""	1	1	"383137"	NA
"671181"	671181	"4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole"	"ClCc1c(CCl)n(nc1c2ccccc2)c3ccccc3"	0	""	""	1	1	"383140"	NA
"671184"	671184	"VFBDUQDKOJTRNI-PKNBQFBNSA-N"	"Oc1ccc(\C=C\C(=O)OCCc2cccc3ccccc23)cc1O"	0	""	""	1	1	"5468519"	NA
"671187"	671187	"Methyl 5,6-dihydroxynaphthalene-2-carboxylate"	"COC(=O)c1ccc2c(O)c(O)ccc2c1"	0	""	""	2	2	"383146"	NA
"671188"	671188	"N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide"	"Oc1ccc(CCNC(=O)Cc2ccccc2)cc1O"	0	""	""	1	1	"383147"	NA
"671189"	671189	"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide"	"Oc1ccc(CCNC(=O)CCc2ccccc2)cc1O"	0	""	""	2	2	"383148"	NA
"671190"	671190	"3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide"	"Oc1ccc(CCC(=O)NCCc2ccccc2)cc1O"	0	""	""	2	2	"383149"	NA
"671193"	671193	""	"COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O"	0	NA	NA	1	1	"514218"	NA
"671197"	671197	"Elsinochrome C"	"COC1=C2C(C(C)O)C(C(C)O)C3=C(OC)C(=O)c4c(O)cc(OC)c5c4c3c2c6c(C1=O)c(O)cc(OC)c56"	0	""	""	2	1	"495866"	NA
"671267"	671267	"Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate"	"CCOC(=O)CC(=O)Nc1cccc2Sc3ncccc3C(=O)c12"	0	""	""	1	1	"383156"	NA
"671268"	671268	"Ethyl 15-oxo-8-thia-6,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-16-carboxylate"	"CCOC(=O)c1c(O)nc2cccc3Sc4ncccc4c1c23"	0	""	""	1	1	"5465992"	NA
"671309"	671309	"N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Clc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"383188"	NA
"671310"	671310	"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid"	"OC(=O)c1ccccc1N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	"383189"	NA
"671311"	671311	""	"NC1=Nc2ccccc2Sc3nc4ccccc4n13"	0	NA	NA	1	1	"514268"	NA
"671312"	671312	""	"COc1ccc2Sc3nc4ccccc4n3C(=Nc2c1)N"	0	NA	NA	1	1	"514269"	NA
"671313"	671313	"2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"NC1=Nc2cc(ccc2Sc3nc4ccccc4n13)C(F)(F)F"	0	""	""	2	2	"383194"	NA
"671314"	671314	"2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"NC1=Nc2cc(Cl)ccc2Sc3nc4ccccc4n13"	0	""	""	2	2	"383195"	NA
"671315"	671315	"8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"COc1ccc2c(c1)nc3Sc4ccccc4N=C(N)n23"	0	""	""	2	2	"383196"	NA
"671316"	671316	""	"Cc1ccc2c(c1)nc3Sc4ccccc4N=C(N)n23"	0	NA	NA	2	2	"514273"	NA
"671331"	671331	"Batyl-P-araC"	"CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	""	""	1	1	"383215"	NA
"671332"	671332	"N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide"	"Cc1ccc(NNC(=O)N=Nc2ccc(C)cc2Br)c(Br)c1"	0	""	""	1	1	"383217"	NA
"671341"	671341	"1,5-di(2,4-dichlorophenyl)carbazone"	"Clc1ccc(NNC(=O)N=Nc2ccc(Cl)cc2Cl)c(Cl)c1"	0	""	""	1	1	"383226"	NA
"671348"	671348	"N',2-Bis(4-bromophenyl)diazenecarbohydrazide"	"Brc1ccc(NNC(=O)N=Nc2ccc(Br)cc2)cc1"	0	""	""	1	1	"383233"	NA
"671349"	671349	"9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid"	"OC(=O)c1ccc(c2cc3cnccc3nc12)[N+](=O)[O-]"	0	""	""	1	1	"383234"	NA
"671352"	671352	"3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione"	"CN(C)c1ccc(cc1)N2C(=S)S\C(=N/c3ccccc3)\C\2=N\c4ccccc4"	0	""	""	1	1	"383237"	NA
"671353"	671353	"Ethyl 4-[[5-(4-ethoxycarbonylphenyl)imino-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-ylidene]amino]benzoate"	"CCOC(=O)c1ccc(cc1)\N=C/2\C(\N(C(S2)=S)c3ccc(F)cc3)=N\c4ccc(cc4)C(=O)OCC"	0	""	""	3	2	"383238"	NA
"671357"	671357	""	"COc1ccc(cc1)N2\C(=N\c3ccccc3)\S\C(=N\S(=O)(=O)c4ccccc4)\C\2=N/S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	"514314"	NA
"671359"	671359	""	"O=C1N(\N=C/2\S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\N2c5ccccc5)C(=O)c6ccccc16"	0	NA	NA	2	1	"514316"	NA
"671366"	671366	"Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate"	"CCOC(=O)C(=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\N1c4ccccc4)C(=O)OCC"	0	""	""	1	1	"383252"	NA
"671367"	671367	"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile"	"N#CC(=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\N1c4ccccc4)C#N"	0	""	""	2	2	"383253"	NA
"671368"	671368	"N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide"	"S=C(Nc1ccccc1)\C=C\2/S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\N2c5ccccc5"	0	""	""	1	1	"5468533"	NA
"671372"	671372	"AN-689/41741230"	"O=C1CCCC/C/1=C\2/S\C(=N\c3ccccc3)\C(=N/c4ccccc4)\N2c5ccccc5"	0	""	""	1	1	"1777592"	NA
"671374"	671374	"AN-689/40796296"	"CN1\C(=N/c2ccc(Cl)cc2)\Sc3ccccc13"	0	""	""	1	1	"383260"	NA
"671375"	671375	"3-methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine"	"CN1\C(=N/c2ccccc2[N+](=O)[O-])\Sc3ccccc13"	0	""	""	1	1	"383261"	NA
"671376"	671376	"4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one"	"O=C1N\C(=N\c2ccccc2)\C(=N/c3ccccc3)\N1c4ccccc4"	0	""	""	1	1	"135409233"	NA
"671377"	671377	"(4z,5e)-1-Benzoyl-3-phenyl-4,5-bis(phenylimino)imidazolidin-2-one"	"O=C(N1C(=O)N(\C(=N\c2ccccc2)\C\1=N/c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"383263"	NA
"671378"	671378	"Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-"	"O=C(N=C1N(C(=O)C(=O)N1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"383264"	NA
"671379"	671379	"AN-689/41741322"	"COc1ccc(cc1)C(=O)N=C2N(\C(=N\c3ccccc3)\C(=N/c4ccccc4)\N2c5ccccc5)c6ccccc6"	0	""	""	2	1	"383265"	NA
"671382"	671382	"Kinome_3132"	"O=C1NC(=S)N(C1=O)c2ccccc2"	0	""	""	1	1	"1550384"	NA
"671388"	671388	"4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-"	"FC(F)(F)c1cccc(c1)N2C(=S)N(C(=O)C2=O)c3ccccc3"	0	""	""	1	1	"383274"	NA
"671392"	671392	"AN-689/41741279"	"O=C(N1C(=S)N(\C(=N\c2ccccc2)\C\1=N/c3ccccc3)c4ccccn4)c5ccccc5"	0	""	""	2	2	"383278"	NA
"671394"	671394	"1-p-anisyl-3-(n,n-dimethyl-p-aminophenyl)-4,5-bis(p-anis..."	"COc1ccc(cc1)\N=C\2/C(/N(C(N2c3ccc(OC)cc3)=S)c4ccc(cc4)N(C)C)=N\c5ccc(OC)cc5"	0	""	""	2	2	"383280"	"128944810"
"671396"	671396	"AN-689/41741301"	"COc1ccc(cc1)\N=C\2/C(/N(C(N2c3ccc(OC)cc3)=S)S(=O)(=O)c4ccccc4)=N\c5ccc(OC)cc5"	0	""	""	1	1	"383282"	NA
"671399"	671399	"4-imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimi..."	"N=C1N(C(=S)\C(=N\c2ccccc2)\N1c3ccccc3)c4ccccc4"	0	""	""	3	2	"383285"	NA
"671400"	671400	"(2E,5Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione"	"S=C1N(\C(=N\c2cccc[n+]2Cc3ccccc3)\N(/C/1=N\c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"6518831"	NA
"671401"	671401	""	"S=C1N(\C(=N\c2ccccn2)\N(/C/1=N\c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"514358"	NA
"671402"	671402	"1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione"	"S=C1N(\C(=N\C2CCCCC2)\N(C3CCCCC3)/C/1=N\c4ccccc4)c5ccccc5"	0	""	""	1	1	"383289"	NA
"671403"	671403	""	"COc1ccc(cc1)\N=C/2\N(\C(=N/S(=O)(=O)c3ccccc3)\N(C2=S)c4ccc(OC)cc4)c5ccccc5"	0	NA	NA	2	2	"514360"	NA
"671404"	671404	"AN-689/41741114"	"CCOC(=O)c1ccc(cc1)\N=C\2/N(\N=C\c3ccccc3)C(=N)N(C2=S)c4ccc(cc4)C(=O)OCC"	0	""	""	1	1	"9574762"	NA
"671405"	671405	"(5Z)-2-imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione"	"N=C1N(\N=C\c2ccccn2)\C(=N/c3ccccc3)\C(=S)N1c4ccccc4"	0	""	""	1	1	"9574763"	NA
"671408"	671408	"3-[(E)-[(4Z,5Z)-3-phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one"	"O=C1Oc2ccccc2C=C1\C=N\N3C(=S)N(\C(=N/c4ccccc4)\C\3=N\c5ccccc5)c6ccccc6"	0	""	""	1	1	"9556177"	NA
"671409"	671409	"(4Z,5Z)-1-[(E)-(2-hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione"	"Oc1ccccc1\C=N\N2C(=S)N(\C(=N/c3ccccc3)\C\2=N\c4ccccc4)c5ccccc5"	0	""	""	2	2	"135509182"	NA
"671411"	671411	""	"Oc1ccccc1\C=N\N2C(=S)N(\C(=N/c3ccccc3)\C\2=N\c4ccccc4)C56CC7CC(CC(C7)C5)C6"	0	NA	NA	1	1	"514368"	NA
"671412"	671412	"4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methylideneamino]-3-phenylimidazolidine-2-thione"	"COc1ccc(cc1)\N=C/2\C(\N(C(N2N=C=C3Sc4ccccc4N3C)=S)c5ccccc5)=N\c6ccc(OC)cc6"	0	""	""	1	1	"383299"	NA
"671413"	671413	"AN-689/41741243"	"N(N=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\S1)c4ccccc4"	0	""	""	1	1	"383300"	NA
"671414"	671414	"N-[[4,5-Bis[(4-methylphenyl)imino]-1,3-dithiolan-2-ylidene]amino]-N-methylmethanamine"	"CN(C)N=C1S\C(=N/c2ccc(C)cc2)\C(=N\c3ccc(C)cc3)\S1"	0	""	""	1	1	"383301"	NA
"671415"	671415	"4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone"	"CN(C)c1ccc(NN=C2S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\S2)cc1"	0	""	""	1	1	"383302"	NA
"671416"	671416	""	"COc1ccc(cc1)\N=C\2/C(/SC(S2)=N\N=C\3/Sc4ccccc4N3C)=N\c5ccc(OC)cc5"	0	NA	NA	1	1	"514373"	NA
"671421"	671421	"AN-689/41741358"	"S1\C(=N\c2ccccc2)\C(=N/c3ccccc3)\Sc4ccccc14"	0	""	""	1	1	"383308"	NA
"671423"	671423	"Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate"	"CCOC(=O)c1ccc(cc1)\N=C\2/C(/Sc3c(N2)cccc3)=N\c4ccc(cc4)C(=O)OCC"	0	""	""	1	1	"383310"	NA
"671425"	671425	"GNF-Pf-2168"	"[O-][N+](=O)c1ccc2N\C(=N\c3ccccc3)\C(=N/c4ccccc4)\Nc2c1"	0	""	""	1	1	"3793309"	NA
"671427"	671427	"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-"	"CN1C(=O)N(C)c2nc(Nc3ccc(C)cc3)c(Nc4ccc(C)cc4)nc2C1=O"	0	""	""	1	1	"383314"	NA
"671430"	671430	""	"NC(=N)SCc1ccc(cc1)N=C=S"	0	NA	NA	1	1	"514387"	NA
"671431"	671431	""	"NNC(=N)SCc1ccc(cc1)N=C=S"	0	NA	NA	1	1	"514388"	NA
"671435"	671435	"Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate"	"Brc1cc(Br)c(OC(=O)C(=O)Oc2c(Br)cc(Br)cc2C(=O)Oc3ccccc3)c(c1)C(=O)Oc4ccccc4"	0	""	""	1	1	"383326"	NA
"671438"	671438	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline"	"CN1C=C(C(=O)c2ccc(F)cc12)S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"383328"	NA
"671439"	671439	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene"	"Clc1ccc(NC(=O)NS(=O)(=O)C2=C(Oc3ccccc3C2=O)c4ccccc4)cc1"	0	""	""	1	1	"383329"	NA
"671445"	671445	"2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]pyridin-2-yl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid"	"OC(=O)CN(CC(=O)O)Cc1ccn(n1)c2cccc(n2)n3ccc(CN(CC(=O)O)CC(=O)O)n3"	0	""	""	1	1	"383330"	NA
"671448"	671448	"2-{[.alpha.-(n-morpholino)]-[2-((e)-3-phenyl-2-propenylo..."	"C(Oc1ccccc1C(N2CCOCC2)n3nc4ccccc4n3)\C=C\c5ccccc5"	0	""	""	2	2	"5931762"	NA
"671450"	671450	""	"Cc1ccc(cc1)c2nc3SCCn3c2\C=N/NC(=N)N"	0	NA	NA	1	1	"514401"	NA
"671456"	671456	"3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide"	"CC(=O)Oc1ccc(c(C)c1)C2(OC(=O)c3ccccc23)c4ccc(F)cc4"	0	""	""	4	4	"383342"	"148238464"
"671457"	671457	"benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate"	"O=C(NC(CCCCN1C(=O)c2ccccc2C1=O)P(=O)(Oc3ccccc3)Oc4ccccc4)OCc5ccccc5"	0	""	""	1	1	"383343"	NA
"671462"	671462	"2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane"	"Clc1ccc(cc1Cl)C2(OCCO2)C=C"	0	""	""	1	1	"383348"	NA
"671463"	671463	"4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane"	"CCC1COC(O1)(C=C)c2ccc3ccccc3c2"	0	""	""	1	1	"383349"	NA
"671466"	671466	"Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate"	"CCO\C=C(/C(=O)OC)\S(=O)(=O)c1ccc(C)cc1"	0	""	""	1	1	"3005099"	NA
"671467"	671467	"6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one"	"CCN1C(=S)N(c2ccccc2)c3sc(SC)nc3C1=O"	0	""	""	1	1	"383353"	NA
"671469"	671469	"Ethyl 2-(2-methylsulfanyl-7-oxo-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	"CCOC(=O)CN1C(=S)N(c2ccccc2)c3sc(SC)nc3C1=O"	0	""	""	1	1	"383355"	NA
"671472"	671472	"Ethyl 2-(4-ethyl-2-methylsulfanyl-7-oxo-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	"CCOC(=O)CN1C(=S)N(CC)c2sc(SC)nc2C1=O"	0	""	""	1	1	"383358"	NA
"671473"	671473	"SC-87612"	"CCN1C(=O)N(c2ccc(C)cc2)c3sc(SC)nc3C1=O"	0	""	""	2	1	"383359"	NA
"671526"	671526	"toxin .delta.53l"	NA	0	NA	NA	2	2	"514434"	NA
"671534"	671534	"3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1Cc2cccc3ccccc23"	0	""	""	1	1	"383370"	NA
"671544"	671544	""	"FC(F)(F)\C=N/NC(=O)c1ccncc1"	0	NA	NA	1	1	"514441"	NA
"671545"	671545	""	"FC(F)(F)\C(=N/NC(=O)c1ccncc1)\c2ccccc2"	0	NA	NA	1	1	"514442"	NA
"671554"	671554	"N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(Cc4cc(OC)c(OC)c(OC)c4)Cc5cc(OC)c(OC)c(OC)c5)c2c1"	0	""	""	1	1	"383383"	NA
"671556"	671556	"N-acridin-9-yl-2,3-dimethoxybenzamide"	"COc1cccc(C(=O)Nc2c3ccccc3nc4ccccc24)c1OC"	0	""	""	1	1	"383385"	NA
"671557"	671557	"LHMZYYJPJUUPSG-UHFFFAOYSA-N"	"COc1cc(CNc2c3ccccc3nc4ccccc24)cc(OC)c1OC"	0	""	""	2	1	"383386"	NA
"671559"	671559	"1,2,3-Trimethoxy-5-{[(4-methoxyphenyl)sulfinyl]methyl}benzene"	"COc1ccc(cc1)S(=O)Cc2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"383388"	NA
"671560"	671560	"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside"	"COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c4cc(O)c(O)c(O)c4)C1OC(=O)c5cc(O)c(O)c(O)c5"	0	""	""	1	1	"383389"	NA
"671637"	671637	"(3R,5R)-3,5-Diphenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione"	"O=C1C[C@H](c2ccccc2)C3([C@H](C1)c4ccccc4)C(=O)c5ccccc5C3=O"	0	""	""	1	1	"383407"	NA
"671641"	671641	"2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone"	"CN1C(=Cc2ccccc2C1=O)CCC3(C)Cc4ccccc4C(=O)O3"	0	""	""	1	1	"383411"	NA
"671660"	671660	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 3-(acetyloxy)-6-(1-aziridinyl)-2,3-dihydro-"	"CC(=O)OC1CCn2c1nc3C(=O)C(=CC(=O)c23)N4CC4"	0	""	""	2	2	"383412"	NA
"671677"	671677	"sphinxolide b"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(O)\C=C\C1C)OC)[C@H]2O)OC"	0	""	""	2	1	"5468560"	NA
"671678"	671678	"sphinxolide c"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(CC(O)\C=C\C1C)OC)OC)[C@H]2O"	0	""	""	2	1	"5468561"	NA
"671680"	671680	"sphinxolide"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]2O"	0	""	""	2	2	"5468563"	NA
"671765"	671765	"3-[2-pyrrolidino] ethoxy-17-butyl-17-aza-1,3,5(10)-estra..."	"CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OCCN5CCCC5)ccc4[C@H]3CC[C@]2(C)C1=O"	0	""	""	2	2	"383426"	NA
"671803"	671803	"AK-777/36503054"	"Clc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2)c3ccccc3"	0	""	""	1	1	"902392"	NA
"671804"	671804	"TimTec1_001777"	"COc1ccc(cc1)C2=C(C#N)C(=S)NC(=C2)c3ccccc3"	0	""	""	1	1	"716393"	NA
"671806"	671806	"[3,4,5-Triacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C=C2c3ccc(Cl)cc3)c4ccccc4)C#N"	0	""	""	1	1	"383439"	NA
"671809"	671809	"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	""	""	1	1	"383442"	NA
"671813"	671813	"[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C=C2c3ccc(Cl)cc3)c4ccccc4)C#N"	0	""	""	2	2	"383446"	NA
"671816"	671816	"4,6-Diphenyl-2-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3-carbonitrile"	"OC1COC(C(O)C1O)N2C(=S)C(=C(C=C2c3ccccc3)c4ccccc4)C#N"	0	""	""	1	1	"383448"	NA
"671817"	671817	""	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	NA	NA	1	1	"514524"	NA
"671818"	671818	""	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	NA	NA	1	1	"514525"	NA
"671819"	671819	"4-(Furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	""	""	1	1	"383450"	NA
"671820"	671820	"6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2)c4ccc(Cl)cc4"	0	""	""	1	1	"383451"	NA
"671838"	671838	"4-Chloro-N-[1-(4-pyridyl)ethyl]aniline"	"CC(Nc1ccc(Cl)cc1)c2ccncc2"	0	""	""	1	1	"383452"	NA
"671840"	671840	"3,4-dichloro-N-[1-(4-pyridyl)ethyl]aniline"	"CC(Nc1ccc(Cl)c(Cl)c1)c2ccncc2"	0	""	""	1	1	"383454"	NA
"671842"	671842	"4-methoxy-N-[1-(4-pyridyl)ethyl]aniline"	"COc1ccc(NC(C)c2ccncc2)cc1"	0	""	""	1	1	"383456"	NA
"671843"	671843	"4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline"	"C\C(=N/c1ccc(Cl)cc1)\c2ccncc2"	0	""	""	1	1	"383457"	NA
"671844"	671844	"3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline"	"C\C(=N/c1cc(Cl)cc(Cl)c1)\c2ccncc2"	0	""	""	1	1	"383458"	NA
"671848"	671848	"N-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)methyl]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide"	"Cc1nc(O)nc(NNCc2ccc(Cl)cc2)c1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"383462"	NA
"671853"	671853	"N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide"	"CC1=C(C(=O)NC2C3CCCCC3NC4CCCCC24)C(=NC(=O)N1)S"	0	""	""	1	1	"3699385"	NA
"671855"	671855	""	"COC[C@@H](\N=C\c1ccc(cc1)[N+](=O)[O-])C(C)C"	0	NA	NA	1	1	"514545"	NA
"671857"	671857	"(-)-10(s)-isothiocyanoalloaromadendrane"	"C[C@@H]1CC[C@H]2[C@H]1[C@H]3[C@@H](CC[C@]2(C)N=C=S)C3(C)C"	0	""	""	1	1	"383471"	NA
"671864"	671864	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6occc6"	0	""	""	2	2	"383472"	NA
"671865"	671865	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CCCCCCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6occc6"	0	""	""	2	2	"383473"	NA
"671866"	671866	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-[3-(dimethylamino)phenyl]-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CN(C)c1cccc(c1)[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	""	""	2	2	"383474"	NA
"671867"	671867	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)C4CCCCC4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"383475"	NA
"671868"	671868	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)C7CCCCC7)C(=C1C5(C)C)C"	0	""	""	2	2	"383476"	NA
"671869"	671869	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)C4CCCCC4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCCC6)C7CCCCC7)C(=C1C5(C)C)C"	0	""	""	2	2	"383477"	NA
"671870"	671870	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7C)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"383478"	NA
"671871"	671871	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6cccc(c6)N=[N+]=[N-])c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"5468574"	NA
"671872"	671872	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-nitrobenzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"383481"	NA
"671876"	671876	""	"Nc1[n+](CC(=O)c2ccccc2)nc3sc(nn13)c4ccccc4"	0	NA	NA	1	1	"514560"	NA
"671881"	671881	"6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Cc1nnc2sc(Cl)nn12"	0	""	""	1	1	"383496"	NA
"671883"	671883	"STK777045"	"Fc1c(F)c(F)c2C(=O)n3c(Sc2c1F)nc4ccccc34"	0	""	""	2	2	"383498"	NA
"671884"	671884	"6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one"	"Fc1c(F)c(F)c2C(=O)n3ccnc3Sc2c1F"	0	""	""	1	1	"383499"	NA
"671885"	671885	"6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one"	"Fc1c(F)c(F)c2C(=O)N3CCN=C3Sc2c1F"	0	""	""	2	1	"383500"	NA
"671886"	671886	"tetrafluoro[?]one"	"Fc1c(F)c(F)c2C(=O)N3C(=Nc4cccc5cccc3c45)Sc2c1F"	0	""	""	2	2	"383501"	NA
"671887"	671887	"1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine"	"Fc1c(F)c(F)c2c(CSc3nc4ccccc4n23)c1F"	0	""	""	1	1	"383502"	NA
"671888"	671888	"1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one"	"Oc1nc2ccccc2n1C(=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	2	1	"383503"	NA
"671889"	671889	"2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole"	"Cc1nc2ccccc2n1C(=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	1	1	"383504"	NA
"671891"	671891	"2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-"	"Fc1c(F)c(F)c(C(=O)N2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)C2=S)c(F)c1F"	0	""	""	2	2	"383506"	NA
"671898"	671898	"[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate"	"O=C(OC1\C=C/C#CCSCC#C1)c2ccc3C(=O)c4ccccc4C(=O)c3c2"	0	""	""	1	1	"5468578"	NA
"671899"	671899	"9-amino-20(s)-glycinyl camptothecin hydrochloride"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	NA	NA	2	2	"440797673"	NA
"671900"	671900	"10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydroch..."	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	"440801134"	NA
"671901"	671901	"7-chloromethyl-10,11-methylenedioxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CCl)c5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	"440797674"	NA
"671902"	671902	"n-acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-eth..."	"CC(=O)NCCC1CN(C(=O)\C=C\I)c2ccccc12"	0	""	""	2	2	"5468579"	NA
"671954"	671954	"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"CC(=[N+]1[N-]C(=S[Al+3]12[O-]B([O-]2)c3ccccc3)N)c4ccccn4"	0	""	""	2	1	"16684415"	NA
"671961"	671961	"Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate"	"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC"	0	""	""	1	1	"383543"	NA
"671963"	671963	"ZX-AP013443"	"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C"	0	""	""	1	1	"383545"	NA
"671965"	671965	"Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1"	0	""	""	1	1	"383547"	NA
"671966"	671966	"Ethyl N-[2-[(1-diethoxyphosphoryl-2-methylpropyl)-methylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate"	"CCOC(=O)NC(N(C)C(C(C)C)P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383548"	NA
"671967"	671967	""	"CC(C)\C(=N/OC(NC(=O)P(=O)(c1ccccc1)c2ccccc2)(C(F)(F)F)C(F)(F)F)\Cl"	0	NA	NA	1	1	"514639"	NA
"671968"	671968	"N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	"COC(NC(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383550"	NA
"671969"	671969	"N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	"COC(NC(=O)Nc1ccccc1C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383551"	NA
"671971"	671971	"(1Z)-N-[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2-methylpropanimidoyl chloride"	"CC(C)\C(=N\OC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F)\Cl"	0	""	""	2	2	"9556182"	NA
"671973"	671973	"Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate"	"CCOC(=O)NC(Nc1ccc(cc1)C(=O)OCC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383555"	NA
"671978"	671978	"CBMicro_019032"	"CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383560"	NA
"672000"	672000	"Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383582"	NA
"672001"	672001	"Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(Nc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383583"	NA
"672002"	672002	"N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide"	"CCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383584"	NA
"672003"	672003	"Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate"	"CC(C)CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383585"	NA
"672006"	672006	"N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide"	"CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383588"	NA
"672014"	672014	"ChemDiv2_000249"	"CC1CN=C(NCc2ccccc2)S1"	0	""	""	1	1	"383596"	NA
"672022"	672022	"N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine"	"Fc1ccc(NC2=NCC(=C)S2)c(F)c1"	0	""	""	1	1	"383604"	NA
"672026"	672026	"STK367527"	"CNC(=O)N(C1=NCC(C)S1)c2ccc(C)c(C)c2"	0	""	""	2	2	"383608"	NA
"672027"	672027	"STK372664"	"CC1CN=C(S1)N(C)C(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	"383609"	NA
"672030"	672030	"MMRNHFGQOYNUCE-UHFFFAOYSA-N"	"CC1CN=C(S1)N(C)C(=O)Nc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"383612"	NA
"672032"	672032	"STK372666"	"CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c3cccc(C)c3"	0	""	""	1	1	"383614"	NA
"672036"	672036	"STK690979"	"CC1CN=C(S1)N(Cc2ccc(F)cc2)C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"383618"	NA
"672039"	672039	""	"C\C(=N/OC(=O)Nc1ccc(C)cc1)\Cl"	0	NA	NA	1	1	"514711"	NA
"672040"	672040	""	"CC\C(=N/OC(=O)Nc1ccc(F)c(Cl)c1)\Cl"	0	NA	NA	2	2	"514712"	NA
"672041"	672041	""	"CCC\C(=N/OC(=O)Nc1ccc(Br)cc1)\Cl"	0	NA	NA	2	1	"514713"	NA
"672042"	672042	""	"CCOC(=O)c1ccc(NC(=O)O\N=C(\Cl)/C(C)C)cc1"	0	NA	NA	2	2	"514714"	NA
"672043"	672043	"ethanimidoyl chloride, n-[[[(4-nitrophenyl)amino]carbony..."	"C\C(=N/OC(=O)Nc1ccc(cc1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	"514715"	NA
"672045"	672045	"propanimidoyl chloride, n-[[[(4-fluorophenyl)amino]carbo..."	"CC(C)\C(=N/OC(=O)Nc1ccc(F)cc1)\Cl"	0	NA	NA	2	2	"514717"	NA
"672046"	672046	""	"COc1ccccc1NC(=O)O\N=C(\Cl)/C(C)C"	0	NA	NA	2	2	"514718"	NA
"672048"	672048	""	"CCOC(=O)c1ccc(NC(=O)O\N=C(\Cl)/CCl)cc1"	0	NA	NA	1	1	"514720"	NA
"672049"	672049	""	"CCC\C(=N/OC(=O)Nc1cccc(c1)C(F)(F)F)\Cl"	0	NA	NA	2	2	"514721"	NA
"672050"	672050	""	"CC(C)\C(=N/OC(=O)Nc1cccc(Cl)c1)\Cl"	0	NA	NA	2	2	"514722"	NA
"672051"	672051	"propanimidoyl chloride, n-[[[[(4-aminosulfonyl)phenyl]am..."	"CC(C)\C(=N/OC(=O)Nc1ccc(cc1)S(=O)(=O)N)\Cl"	0	NA	NA	2	2	"514723"	NA
"672052"	672052	""	"CC(C)\C(=N/OC(=O)Nc1cccc(F)c1)\Cl"	0	NA	NA	2	2	"514724"	NA
"672053"	672053	""	"CC(C)\C(=N/OC(=O)Nc1ccccc1F)\Cl"	0	NA	NA	2	2	"514725"	NA
"672054"	672054	""	"C\C(=N/OC(=O)Nc1ccccc1C(F)(F)F)\Cl"	0	NA	NA	1	1	"514726"	NA
"672055"	672055	""	"CC(C)\C(=N/OC(=O)Nc1ccc(F)cc1F)\Cl"	0	NA	NA	2	2	"514727"	NA
"672056"	672056	"[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate"	"CC(C)\C(=N\OC(=O)Nc1ccc(OC(F)(F)F)cc1)\Cl"	0	""	""	2	2	"9556199"	NA
"672057"	672057	""	"CC\C(=N/OC(=O)Nc1ccc(cc1)C#N)\Cl"	0	NA	NA	2	2	"514729"	NA
"672058"	672058	""	"CC(C)\C(=N/OC(=O)Nc1ccc(cc1)C#N)\Cl"	0	NA	NA	2	1	"514730"	NA
"672059"	672059	"N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride"	"CCC\C(=N\OC(=O)Nc1cc(ccc1OC)C(F)(F)F)\Cl"	0	""	""	2	1	"9556202"	NA
"672070"	672070	"1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1"	0	""	""	1	1	"383652"	NA
"672072"	672072	"STL322405"	"CCOC(=O)C(NC(=O)Nc1ccc(C)cc1)(OCC)C(F)(F)F"	0	""	""	1	1	"383654"	NA
"672073"	672073	"STL323035"	"CCOC(=O)C(NC(=O)Nc1ccc(Cl)cc1)(OC)C(F)(F)F"	0	""	""	1	1	"383655"	NA
"672078"	672078	"Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate"	"CCOC(=O)C(NC(=O)Nc1ccccc1)(Nc2cccc(Cl)c2)C(F)(F)F"	0	""	""	2	1	"383660"	NA
"672081"	672081	"Ethyl 2-benzamido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3)C(F)(F)F"	0	""	""	1	1	"383663"	NA
"672083"	672083	"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3)C(F)(F)F"	0	""	""	1	1	"383665"	NA
"672085"	672085	"Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(c2ccc(cc2)S(=O)(=O)Nc3onc(C)c3C)C(F)(F)F"	0	""	""	1	1	"383667"	NA
"672086"	672086	"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]-2-(trifluoromethyl)propanamide"	"NS(=O)(=O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1"	0	""	""	1	1	"383668"	NA
"672087"	672087	"STK367517"	"OC(=O)CSC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"383669"	NA
"672089"	672089	"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]-2-(trifluoromethyl)propanamide"	"Cc1onc(NS(=O)(=O)c2ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)c1"	0	""	""	1	1	"383671"	NA
"672090"	672090	"WUWDHQPLLZPRAK-UHFFFAOYSA-N"	"CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F"	0	""	""	1	1	"383672"	NA
"672099"	672099	"STL323004"	"CCOC(=O)C(NC(=O)C)(Nc1ccc(F)cc1)C(F)(F)F"	0	""	""	1	1	"383681"	NA
"672106"	672106	"2-Amino-12-phosphonododecanoic acid"	"NC(CCCCCCCCCCP(=O)(O)O)C(=O)O"	0	""	""	1	1	"383686"	NA
"672108"	672108	"STL527070"	"NC(C\C=C\P(=O)(O)O)C(=O)O"	0	""	""	1	1	"5882143"	NA
"672115"	672115	"9-.beta.-hydroxyparthenolide"	"C\C\1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)C3C[C@@H]1O"	0	NA	NA	1	1	"514787"	NA
"672116"	672116	"9-.alpha.-acetoxyparthenolide"	"CC(=O)O[C@@H]1CC2[C@H](OC(=O)C2=C)[C@H]3O[C@]3(C)CC\C=C\1/C"	0	NA	NA	1	1	"514788"	NA
"672117"	672117	""	"C[C@@]12CCC3O[C@]3(C)[C@H](O)CC4[C@H](OC(=O)C4=C)[C@H]1O2"	0	NA	NA	1	1	"514789"	NA
"672118"	672118	""	"C[C@@]12CCC3O[C@]3(C)[C@@H](O)CC4[C@H](OC(=O)C4=C)[C@H]1O2"	0	NA	NA	1	1	"514790"	NA
"672120"	672120	"oxireno[9,10]cyclodeca[1,2-b]furan-6,9(7h,10ah)-dione, 1..."	"C\C\1=C/CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1=O"	0	NA	NA	2	2	"514792"	NA
"672121"	672121	"2-hydroxyethylthio-3-methylnaphthoquinone"	"CC1=C(SCCO)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"2876"	NA
"672131"	672131	"(2E,4E,6Z,8E)-N-(1,3-benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	"C\C(=C\C=C\C(=C\C(=O)Nc1ccc2OCOc2c1)\C)\C=C\C3=C(C)CCCC3(C)C"	0	""	""	1	1	"24202490"	NA
"672134"	672134	""	"OC1OC2COC(=O)c3cc4Oc5c(O)c(O)c(O)cc5C(=O)OC6C(O)OC7COC(=O)c8cc(O)c(O)c(O)c8c9c(O)c(O)c(Oc%10c(O)c(O)c(O)cc%10C(=O)OC1C(OC(=O)c%11cc(O)c(O)c(O)c%11)C2OC(=O)c%12cc(O)c(O)c(O)c%12c3c(O)c4O)cc9C(=O)OC7C6OC(=O)c%13cc(O)c(O)c(O)c%13"	0	NA	NA	1	1	"514801"	NA
"672136"	672136	"9-.alpha.-hydroxyparthenolide"	"C\C\1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)C3C[C@H]1O"	0	NA	NA	2	1	"514803"	NA
"672140"	672140	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	1	1	"514806"	NA
"672141"	672141	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	2	2	"514807"	NA
"672149"	672149	"1-[2-[2-(chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one"	"Oc1nn(CCc2ccccc2CCl)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	"383720"	NA
"672150"	672150	"2-nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one"	"[O-][N+](=O)c1ccc2N3CCc4ccccc4CN3C(=O)c2c1"	0	""	""	1	1	"383721"	NA
"672157"	672157	"5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde"	"CCCCCCCCCc1cc(sc1c2ccc(C=O)s2)c3ccc(C=O)s3"	0	""	""	2	2	"383728"	NA
"672159"	672159	""	"CSC(=S)CC(O)[C@@H]1CC2c3ccccc3C1c4ccccc24"	0	NA	NA	1	1	"514821"	NA
"672170"	672170	"2-thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)- 2-th..."	"OCc1ccc(s1)c2oc(cc2)c3ccc(C=O)s3"	0	""	""	2	2	"383733"	NA
"672176"	672176	"1h-purin-6-amine, n-(3-methyl-2-butenyl)-9-(2-cyanoethyl)-"	"CC(=CCNc1ncnc2c1ncn2CCC#N)C"	0	""	""	1	1	"383738"	NA
"672177"	672177	"1h-purin-6-amine, n-(3-methyl-2-butenyl)-9-(2-carbo-t-bu..."	"CC(=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)C"	0	""	""	1	1	"383739"	NA
"672194"	672194	""	"COc1ccc(OC)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	NA	NA	2	2	"514844"	NA
"672195"	672195	""	"COc1ccc2nc(ccc2c1)\C(=C/C#N)\N"	0	NA	NA	1	1	"514845"	NA
"672197"	672197	"(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile"	"Brc1cc2OCOc2cc1C(C#N)N3CCOCC3"	0	""	""	1	1	"383755"	NA
"672199"	672199	"17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone"	"CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)c4cccc(OC)c4C3=O"	0	""	""	1	1	"383757"	NA
"672202"	672202	""	"CCOC(=O)C(C)(\C(=C/Cl)\Cl)C(=O)OCC"	0	NA	NA	1	1	"514852"	NA
"672210"	672210	"2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium"	"[O-][n+]1onc(c2ccccc2)c1c3no[n+]([O-])c3c4c(no[n+]4[O-])c5ccccc5"	0	""	""	1	1	"383766"	NA
"672215"	672215	"3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile"	"N#Cc1cccc(Nc2ccccc2SSc3ccccc3Nc4cccc(c4)C#N)c1"	0	""	""	3	1	"383771"	NA
"672219"	672219	"2-hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	"Cc1ccc(N\N=C\C2=CC(C)(C)C(C#N)(C#N)C(=C2C#N)O)cc1"	0	""	""	1	1	"9571495"	NA
"672221"	672221	""	"CC(OC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)OCC=C)[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C"	0	NA	NA	1	1	"514869"	NA
"672227"	672227	"STK806155"	"CN(C)c1cccc2c1C(=O)C=CC23CCc4ccc(N(C)C)c5c(ccc3c45)N(C)C"	0	""	""	1	1	"383780"	NA
"672228"	672228	"6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one"	"CN(C)c1cccc2c1C(=O)C=CC23C(C(c4ccccc4)c5ccc(N(C)C)c6c(ccc3c56)N(C)C)c7ccccc7"	0	""	""	1	1	"383781"	NA
"672229"	672229	""	"O[C@@]12[C@@H](CC(=O)Nc3ccccc13)[C@@H]([C@@H]4[C@@H]2C(=O)Nc5ccccc5C4=O)c6ccc(Br)cc6"	0	NA	NA	1	1	"514875"	NA
"672232"	672232	"9-chloropaullone"	"Clc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"383785"	NA
"672234"	672234	"10-bromopaullone"	"Brc1ccc2c3CC(=O)Nc4ccccc4c3[nH]c2c1"	0	""	""	1	1	"383787"	NA
"672295"	672295	""	"CCOC(=O)\C(=N\Nc1ccccc1)\N2C(=CC(=NN(C)C2=S)C)S"	0	NA	NA	1	1	"514888"	NA
"672303"	672303	"10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione"	"CCN1c2ccccc2NC(=S)c3c1[nH]nc3c4ccccc4"	0	""	""	1	1	"3005109"	NA
"672304"	672304	"1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine"	"CSC1=Nc2ccccc2N(C)c3c1c(nn3C)c4ccccc4"	0	""	""	1	1	"383801"	NA
"672305"	672305	"12-Ethyl-3-methyl-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7,10,13,15-heptaene"	"CCN1c2ccccc2n3c(C)nnc3c4c(n[nH]c14)c5ccccc5"	0	""	""	1	1	"383802"	NA
"672306"	672306	"10-Ethyl-12-methyl-3,8-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7(11),8,13,15-heptaene"	"CCn1nc(c2ccccc2)c3c4nnc(c5ccccc5)n4c6ccccc6N(C)c13"	0	""	""	1	1	"383803"	NA
"672342"	672342	"4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine"	"C(CN1CCOCC1)OCCn2c3CCCCc3c4ccccc24"	0	""	""	1	1	"383806"	NA
"672348"	672348	"5,5''-dihydroxymethyl-2,2',5',2''-terfuran"	"OCc1oc(cc1)c2oc(cc2)c3oc(CO)cc3"	0	NA	NA	2	2	"440794654"	NA
"672424"	672424	"2-(5-Bromo-6-formyl-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethyl nitrate"	"CN1C(=O)N(CCO[N+](=O)[O-])C(=C(Br)C1=O)C=O"	0	""	""	1	1	"383812"	NA
"672425"	672425	"1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt"	"N[C@@H](Cc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1)C(=O)O"	0	NA	NA	1	1	"582077"	NA
"672429"	672429	"Benzyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,11,14-tetraoxo-1,3,6,12-tetrazacyclotetradec-8-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate"	"CC(C)CC1NC(=O)CCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)OCc3ccccc3)C(=O)NC(Cc4ccccc4)C(=O)NC(Cc5ccccc5)NC1=O"	0	""	""	1	1	"495902"	NA
"672434"	672434	"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)N4CCCC4C(=O)NCC(=O)N"	0	""	""	1	1	"383818"	NA
"672435"	672435	"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-oxohexyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	""	""	1	1	"383819"	NA
"672436"	672436	""	"CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	NA	NA	1	1	"514915"	NA
"672437"	672437	""	"CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	NA	NA	1	1	"514916"	NA
"672442"	672442	"Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid"	"CC1(C)CCC(C)(C)C1C(=O)NC(O)C(=O)O"	0	""	""	1	1	"383825"	NA
"672446"	672446	"Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate"	"CC(C)OC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2)NC(=O)C3C(C)(C)CCC3(C)C"	0	""	""	2	1	"383829"	NA
"672449"	672449	"3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one"	"O=C(N1C(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC1c4ccccc4)c5ccccc5"	0	""	""	1	1	"383832"	NA
"672451"	672451	""	"C(Oc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)c5ccccc5"	0	NA	NA	2	2	"514930"	NA
"672453"	672453	"2-[[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35)C(=O)O"	0	""	""	1	1	"383837"	NA
"672454"	672454	"benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate"	"CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4ccccc4)C(=O)OCc5ccccc5"	0	""	""	2	1	"383838"	NA
"672457"	672457	"Benzyl 2-[[1-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]cyclopentanecarbonyl]amino]-3-phenylpropanoate"	"CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C2(CCCC2)C(=O)NC(Cc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	1	1	"383841"	NA
"672462"	672462	"Benzyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate"	"CC(OCc1ccccc1)C(NC(=O)C(CSN(C)C(=O)C)NC(=O)C(NC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(Cc6ccccc6)NC(=O)OCc7ccccc7)C(C)OCc8ccccc8)C(=O)N"	0	""	""	1	1	"16130239"	NA
"672463"	672463	"Benzyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate"	"CC(OCc1ccccc1)C(NC(=O)C(CSN(C)C(=O)C)NC(=O)C(NC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)C(Cc3cn(C=O)c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(Cc6ccccc6)NC(=O)OCc7ccccc7)C(C)OCc8ccccc8)C(=O)N"	0	""	""	1	1	"16129803"	NA
"672464"	672464	"Benzyl N-[1-[[4-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)carbamoyl]-16-benzyl-13-[(1-formylindol-3-yl)methyl]-6,9,12,15,18-pentaoxo-10-[4-(phenylmethoxycarbonylamino)butyl]-7-(1-phenylmethoxyethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate"	"CC(OCc1ccccc1)C(NC(=O)C2CSSCC(NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)C(=O)NC(Cc5ccccc5)C(=O)NC(Cc6cn(C=O)c7ccccc67)C(=O)NC(CCCCNC(=O)OCc8ccccc8)C(=O)NC(C(C)OCc9ccccc9)C(=O)N2)C(=O)N"	0	""	""	2	2	"16129804"	NA
"672472"	672472	"6-(aziridin-1-yl)-7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	"COC1=C(N2CC2)C(=O)c3nc4CCCn4c3C1=O"	0	""	""	1	1	"383842"	NA
"672552"	672552	"antineoplastic-672552"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)c6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	"440806684"	NA
"672553"	672553	"antineoplastic-672553"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	NA	NA	2	2	"440801135"	NA
"672645"	672645	""	"CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc2ccccc2"	0	NA	NA	1	1	"514967"	NA
"672647"	672647	"Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-"	"Nc1cc(OCc2ccccc2)c(OCc3ccccc3)cc1C=O"	0	""	""	1	1	"383866"	NA
"672652"	672652	"2-[[2-[[2-[[3-(1H-Indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoic acid"	"CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)C(=O)NC(Cc5ccccc5)C(=O)O"	0	""	""	1	1	"383872"	NA
"672655"	672655	""	"CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4ccccc4)NC(=O)[C@H]5CCC[C@H]5NC(=O)C(Cc6ccccc6)NC1=O"	0	NA	NA	1	1	"514977"	NA
"672661"	672661	""	"CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)[C@H]2CC[C@@H](C2)NC(=O)C(Cc3ccc(OC(C)(C)C)cc3)NC(=O)OC(C)(C)C)C(=O)N"	0	NA	NA	1	1	"514983"	NA
"672663"	672663	"Methyl 1-[[2-[[2-[[2-[[3-(1H-indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]amino]cyclopentane-1-carboxylate"	"COC(=O)C1(CCCC1)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)OCc6ccccc6)C(C)OC(C)(C)C"	0	""	""	1	1	"461803"	NA
"672670"	672670	"Tert-butyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,12,14-tetraoxo-1,3,6,11-tetrazacyclotetradec-8-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate"	"CC(C)CC1C(=O)NCCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)NC1=O"	0	""	""	1	1	"495913"	NA
"672671"	672671	""	"CC(C)CC1C(=O)NCCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)NC1=O"	0	NA	NA	1	1	"514993"	NA
"672676"	672676	"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-cyclohexyl-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate"	"COC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2)C3CCCCC3"	0	""	""	1	1	"495917"	NA
"672805"	672805	"N'-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide"	"CC(NNC(=O)c1ccncc1)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	"383894"	NA
"672812"	672812	"Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"CC(NNC(=O)c1cc[n+]([BH2+3][C-]#N)cc1)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	"6334930"	NA
"672864"	672864	""	"CCOP(=O)(OCC)\C(=C\c1cccn1N(C)C)\C#N"	0	NA	NA	1	1	"515019"	NA
"672866"	672866	"(E)-2-diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile"	"CCOP(=O)(OCC)\C(=C\c1cnc([nH]1)c2ccccc2)\C#N"	0	""	""	1	1	"5468613"	NA
"672868"	672868	""	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2oc(\C=C/C#N)cc2"	0	NA	NA	1	1	"515023"	NA
"672876"	672876	"7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine"	"COc1cc2CCN(C)OC(C=C)c2cc1OC"	0	""	""	1	1	"383920"	NA
"672878"	672878	"J3.513.434D"	"COc1cc2CCN(C)OC(C(=C)c3ccccc3)c2cc1OC"	0	""	""	1	1	"383922"	NA
"672883"	672883	"Diethyl 2-((4-((3-(ethoxycarbonyl)-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2C(=O)OCC)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	"383927"	NA
"672904"	672904	"hexadecanaminium, n-(chloromethyl)-n,n-dimethyl-, chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCl"	0	""	""	2	1	"383939"	NA
"672907"	672907	"(10E)-10-(pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione"	"O=C1OC2=C\C(=C/c3ccccn3)\C(=O)c4cccc1c24"	0	""	""	1	1	"5468621"	NA
"672916"	672916	""	"N[C@@H](CCC(=O)NC(Cc1ccccc1)C(=O)NCP(=O)(O)O)C(=O)O"	0	NA	NA	1	1	"515059"	NA
"672918"	672918	""	"N[C@H](CCC(=O)NCP(=O)(O)O)C(=O)O"	0	NA	NA	1	1	"515061"	NA
"672974"	672974	""	"CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	"515077"	NA
"672975"	672975	""	"CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	"515078"	NA
"672990"	672990	""	"CS\C=C/C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1"	0	NA	NA	1	1	"515093"	NA
"673095"	673095	""	"CC\C(=N/NC(=S)N\N=C(/CC)\C=C\c1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	"515099"	NA
"673099"	673099	"5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol"	"Cc1nc(C)c(N2CCN(CC2)C#N)c(O)n1"	0	""	""	1	1	"135422862"	NA
"673100"	673100	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid"	"Cc1nc(C)c(N2CCN(CC2)C(=O)O)c(O)n1"	0	""	""	1	1	"135401754"	NA
"673103"	673103	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	"Cc1nc(C)c(N2CCN(CC2)S(=O)(=O)N)c(O)n1"	0	""	""	1	1	"135427646"	NA
"673104"	673104	"N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	"Cc1nc(C)c(N2CCN(CC2)S(=O)(=O)N(Cc3ccccc3)Cc4ccccc4)c(O)n1"	0	""	""	2	2	"135426540"	NA
"673105"	673105	"2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol"	"Cc1nc(C)c(N2CCN(CC2)[N+](=O)[O-])c(O)n1"	0	""	""	1	1	"135489784"	NA
"673106"	673106	"Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)N1CCN(CC1)c2c(C)nc(C)nc2O)C(=O)OCC"	0	""	""	1	1	"135489785"	NA
"673107"	673107	"N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid"	"Cc1nc(C)c(N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O)c(O)n1"	0	""	""	1	1	"135444429"	NA
"673117"	673117	"1-[3-(dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone"	"CN(C)C1=NN=C2C(S1)N(C(=O)C)c3ccccc23"	0	""	""	1	1	"384013"	NA
"673131"	673131	"4-[4-[2,3-Bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C"	0	""	""	1	1	"384021"	NA
"673132"	673132	"2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate"	"CC(=O)Oc1ccc(cc1OC(=O)C)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	"384022"	NA
"673134"	673134	"STK643725"	"CC(=O)Oc1ccc(cc1)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	"384024"	NA
"673135"	673135	"AN-308/15495050"	"CC(=O)Oc1ccc(cc1)C2=Cc3ccc(OC(=O)C)cc3OC2=O"	0	""	""	2	2	"384025"	NA
"673137"	673137	"2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate"	"CC(=O)Oc1ccc2C=C(C(=O)Oc2c1)c3ccccc3OC(=O)C"	0	""	""	1	1	"384027"	NA
"673139"	673139	""	"[O-][N+](=O)C(=C(N1CCOCC1)N2CCOCC2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	"515135"	NA
"673140"	673140	""	"[O-][N+](=O)C(=C(Nc1ccccc1)Nc2ccccc2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	"515136"	NA
"673141"	673141	"1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-"	"Cc1ccc(NC(=C(\C=C(/Cl)\[N+](=O)[O-])[N+](=O)[O-])Nc2ccc(C)cc2C)c(C)c1"	0	""	""	2	2	"5971834"	NA
"673144"	673144	"[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate"	"[O-][N+](=O)\C(=C(/SC#N)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	2	2	"3005114"	NA
"673146"	673146	"(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	"[O-][N+](=O)C(=C(NCc1ccccc1)NCc2ccccc2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	"384035"	NA
"673150"	673150	"STL334553"	"[O-][N+](=O)\C(=C(\Sc1ccccc1)/N2CCCCC2)\C(=C(Cl)Cl)Cl"	0	""	""	2	2	"1617552"	NA
"673151"	673151	"C14H13Cl3N2O3S"	"[O-][N+](=O)\C(=C(\Sc1ccccc1)/N2CCOCC2)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	"1617553"	NA
"673155"	673155	""	"[O-][N+](=O)C(=C(N1CCCCC1)N2CCCCC2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	"515151"	NA
"673181"	673181	""	"C1CN=C(N\N=C\c2cccc3cc4ccncc4nc23)N1"	0	NA	NA	1	1	"515162"	NA
"673182"	673182	"N-butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine"	"CCCCNC1CCC2(SCCS2)c3[nH]c4ccccc4c13"	0	""	""	2	2	"384058"	NA
"673183"	673183	"N-butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	"CCCCN(C1CCC(=O)c2[nH]c3ccccc3c12)C(=O)c4ccccc4"	0	""	""	1	1	"384059"	NA
"673185"	673185	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6occc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"384060"	NA
"673186"	673186	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] furan-3-carboxylate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cocc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"384061"	NA
"673187"	673187	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] furan-2-carboxylate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4occc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"384062"	NA
"673188"	673188	"2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(F)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	"384063"	NA
"673190"	673190	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pyridine-4-carboxylate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccncc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"384065"	NA
"673191"	673191	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethyl)benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)C(F)(F)F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"384066"	NA
"673192"	673192	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(N)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"384067"	NA
"673193"	673193	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CN(C)c1ccc(cc1)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C2C)C3(C)C)OC(=O)C)c7ccccc7"	0	""	""	2	2	"384068"	NA
"673267"	673267	"il4(38-37)-pe38kdel"	NA	0	NA	NA	4	3	"515174"	NA
"673294"	673294	"5-Chloro-6-[1-hydroxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one"	"CN1C(=O)Oc2cc(C(O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc12"	0	""	""	1	1	"384072"	NA
"673295"	673295	""	"COc1ccc2CC3([C@@H](C4C([C@H]3c5ccccc5)c6ccc(OC)cc6C4=O)c7ccccc7)C(=O)c2c1"	0	NA	NA	1	1	"515179"	NA
"673297"	673297	""	"COc1cc2CC3([C@@H](C4C([C@H]3c5ccccc5)c6cc(OC)c(OC)cc6C4=O)c7ccccc7)C(=O)c2cc1OC"	0	NA	NA	1	1	"515181"	NA
"673298"	673298	""	"COc1cc(cc(OC)c1OC)[C@@H]2C3C([C@@H](c4cc(OC)c(OC)c(OC)c4)C25Cc6ccccc6C5=O)c7ccccc7C3=O"	0	NA	NA	1	1	"515182"	NA
"673300"	673300	"(4-chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol"	"CC1(C)COC(=N1)c2cccc(c2)C(O)c3ccc(Cl)cc3"	0	""	""	1	1	"384078"	NA
"673303"	673303	"2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol"	"CC(C)(Cc1ccccc1)Cc2cc(O)ccc2O"	0	""	""	1	1	"384081"	NA
"673319"	673319	"6-{[2-(3,5-Dichloro-4-hydroxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione"	"Oc1c(Cl)cc(CCNC2=CC(=O)c3[nH]cnc3C2=O)cc1Cl"	0	""	""	1	1	"384097"	NA
"673320"	673320	"N,N-diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione"	"Oc1ccc(CCNC2=CC(=O)c3[nH]cnc3C2=O)cc1[N+](=O)[O-]"	0	""	""	1	1	"24202492"	NA
"673321"	673321	"benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	"COC1=CC(=O)c2c(CCNC(=O)OCc3ccccc3)n[nH]c2C1=O"	0	""	""	1	1	"384098"	NA
"673322"	673322	"10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide"	"COC1=CC2=NCCc3n[nH]c(C1=O)c23"	0	""	""	1	1	"384099"	NA
"673341"	673341	"2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid"	"CSCCC(NCc1c(O)ccc2C=CC(=O)Oc12)C(=O)O"	0	""	""	1	1	"5466063"	NA
"673343"	673343	"5,8-Bis[(cyclopropylmethyl)amino]naphthalene-1,4-dione"	"O=C1C=CC(=O)c2c(NCC3CC3)ccc(NCC4CC4)c12"	0	""	""	1	1	"384114"	NA
"673344"	673344	"N-[9,10-dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide"	"C=CC(=O)Nc1ccc(NC(=O)C=C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"384115"	NA
"673347"	673347	"naphthalene, 1,4-bis(oxiranylmethoxy)-"	"C(Oc1ccc(OCC2CO2)c3ccccc13)C4CO4"	0	""	""	1	1	"384118"	NA
"673348"	673348	"9,10-anthracenedione, 1-[(oxiranylmethyl)amino]-"	"O=C1c2ccccc2C(=O)c3c(NCC4CO4)cccc13"	0	""	""	2	2	"384119"	NA
"673349"	673349	"9,10-anthracenedione, 1,4-bis[[2-hydroxy-3-(propylamino)..."	"CCCNCC(O)CNc1ccc(NCC(O)CNCCC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	"384120"	NA
"673350"	673350	"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione"	"O=C1c2ccccc2C(=O)c3c(OCC4CO4)ccc(OCC5CO5)c13"	0	""	""	2	2	"176718"	NA
"673414"	673414	"2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide"	"O=C(NCCCNCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	1	"384126"	NA
"673415"	673415	"N-[3-[2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenylquinoline-4-carboxamide"	"[O-][N+](=O)c1cc2C(=O)N(CCNCCCNC(=O)c3cc(nc4ccccc34)c5ccccc5)C(=O)c6cccc(c1)c26"	0	""	""	2	2	"384127"	NA
"673418"	673418	"N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide"	"Oc1cccc(C(=O)NCCNCCCNC(=O)c2cc(nc3ccccc23)c4ccccc4)c1O"	0	""	""	1	1	"384131"	NA
"673420"	673420	"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene"	"COc1ccc(SCc2cc(OC)ccc2OC)cc1"	0	""	""	2	2	"384133"	NA
"673421"	673421	"2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol"	"Oc1ccc(SCc2cc(O)ccc2O)cc1"	0	""	""	2	2	"384134"	NA
"673423"	673423	"JBTRUPZYRYLZFH-UHFFFAOYSA-N"	"COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC"	0	""	""	1	1	"384136"	NA
"673428"	673428	"2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene"	"COc1ccc(OC)c(CSc2ccc(OC)c(OC)c2)c1"	0	""	""	2	1	"384141"	NA
"673429"	673429	"1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene"	"COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	"384142"	NA
"673435"	673435	"2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccccc4)c5ccccc5"	0	""	""	1	1	"384148"	NA
"673437"	673437	"6-methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine"	"CSC1=Nc2ccccc2c3nc(cc(c3C1)c4ccccc4)c5ccccc5"	0	""	""	1	1	"384149"	NA
"673445"	673445	""	"CN1C(=O)C2C3OC(COCC#C)(C=C3)C2C1=O"	0	NA	NA	1	1	"515260"	NA
"673449"	673449	"6-Bromo-3-chloro-8-nitroquinoline"	"[O-][N+](=O)c1cc(Br)cc2cc(Cl)cnc12"	0	""	""	1	1	"384159"	NA
"673450"	673450	"FS-3756"	"Oc1cc(F)cc2cccnc12"	0	""	""	2	2	"384160"	NA
"673451"	673451	"K9AEQ8892Y"	"Oc1c(Cl)ccc2cccnc12"	0	""	""	1	1	"24691"	NA
"673452"	673452	"7-Bromoquinolin-8-ol"	"Oc1c(Br)ccc2cccnc12"	0	""	""	2	2	"384161"	NA
"673453"	673453	"CC-833"	"Oc1cc(Cl)cc2cccnc12"	0	""	""	2	2	"384162"	NA
"673454"	673454	"6-Bromoquinolin-8-ol"	"Oc1cc(Br)cc2cccnc12"	0	""	""	2	2	"384163"	NA
"673455"	673455	"ACT01953"	"Oc1cccc2c(Cl)ccnc12"	0	""	""	2	2	"384164"	NA
"673456"	673456	"4-Bromoquinolin-8-ol"	"Oc1cccc2c(Br)ccnc12"	0	""	""	2	2	"384165"	NA
"673457"	673457	"FCH1155889"	"Oc1cccc2cc(Cl)cnc12"	0	""	""	2	2	"384166"	NA
"673458"	673458	"3-Bromoquinolin-8-ol"	"Oc1cccc2cc(Br)cnc12"	0	""	""	2	2	"384167"	NA
"673463"	673463	"3,6-Dichloro-8-quinolinol"	"Oc1cc(Cl)cc2cc(Cl)cnc12"	0	""	""	1	1	"384172"	NA
"673464"	673464	"3,6-Dibromoquinolin-8-ol"	"Oc1cc(Br)cc2cc(Br)cnc12"	0	""	""	1	1	"384173"	NA
"673498"	673498	"3-Bromo-6-chloroquinolin-8-ol"	"Oc1cc(Cl)cc2cc(Br)cnc12"	0	""	""	2	2	"384174"	NA
"673499"	673499	"7JX"	"Oc1cc(Br)cc2cc(Cl)cnc12"	0	""	""	2	2	"384175"	NA
"673500"	673500	"(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene"	"CC(C)CCCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"3847619"	NA
"673501"	673501	"(-)-6-bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	2	2	"515283"	NA
"673502"	673502	"(+)-6-bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	2	2	"515284"	NA
"673503"	673503	"synthetic halomon"	"CC(C)(Cl)[C@H](Br)CC[C@@](Cl)(CBr)C(=C)Cl"	0	""	""	2	2	"132430"	NA
"673516"	673516	"SGZNOQTWBIMLDO-BQYQJAHWSA-N"	"CN(C)\C=C\c1nnnn1c2ccc(I)cc2"	0	""	""	1	1	"5367729"	NA
"673517"	673517	""	"N(\C=C\c1nnnn1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"515295"	NA
"673535"	673535	"2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol"	"CC(C)(O)\C\1=C\C=C\CCCCCCCCCC1"	0	""	""	1	1	"5468654"	NA
"673591"	673591	"9-chloro-10,11-methylenedioxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(Cl)c6OCOc6cc5nc34)C2=O"	0	""	""	2	2	"468671"	NA
"673592"	673592	"7-ethyl-10,11-methylenedioxy-20(s)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"440803336"	NA
"673593"	673593	"7-ethyl-9-amino-10,11-methylenedioxy-20(s)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6c(N)c15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"440801136"	NA
"673594"	673594	"7-methyl-10,11-methylenedioxy-20(s)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(C)c5cc6OCOc6cc5nc34)C2=O"	0	""	""	2	2	"468672"	NA
"673595"	673595	"7-ethyl-9-amino-20(s)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cccc(N)c15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"440797675"	NA
"673596"	673596	"7-Ethyl-10-hydroxycamptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	4	4	"104842"	"86639523"
"673597"	673597	"methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate"	"COC(=O)\C=C\CCC#Cc1ccccc1C#CCC\C=C\C(=O)OC"	0	""	""	1	1	"6182119"	NA
"673606"	673606	"10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one"	"COc1cc(cc(OC)c1OC)C2N3C(CCC3=O)C(O)c4cc5OCOc5cc24"	0	""	""	1	1	"384201"	NA
"673610"	673610	"11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[6,5-f]indolizine-7,10-dione"	"COc1cc(cc(OC)c1OC)C2N3C(CCC3=O)C(=O)c4c(O)c5OCOc5cc24"	0	""	""	1	1	"384205"	NA
"673622"	673622	"2-pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl..."	"COC(=O)C1CCC(=O)N1C(c2ccc(OC)cc2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"384217"	NA
"673629"	673629	"UJGWKTSSCIBXIB-UHFFFAOYSA-N"	"COc1ccc(cc1)C(O)c2ccc3OCOc3c2"	0	""	""	1	1	"384224"	NA
"673631"	673631	"bis(pivaloyloxymethyl) ester of 2'-azido-deoxyuridine 5'..."	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(C(N=[N+]=[N-])C1O)N2C=CC(=O)NC2=O"	0	""	""	1	1	"384226"	NA
"673643"	673643	"4-(Phenoxy(phenyl)methoxy)phenyl benzoate"	"O=C(Oc1ccc(OC(Oc2ccccc2)c3ccccc3)cc1)c4ccccc4"	0	""	""	2	1	"384227"	NA
"673650"	673650	"4-piperidinone, 1-methyl-2,6-bis[(2-nitrophenyl)methylene]-"	"CN1C\C(=C/c2ccccc2[N+](=O)[O-])\C(=O)\C(=C\c3ccccc3[N+](=O)[O-])\C1"	0	NA	NA	2	2	"515344"	NA
"673652"	673652	"2-Ethylaminoestradiol"	"CCNc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	NA	NA	2	2	"515346"	NA
"673784"	673784	"naphthalen-1(4h)-one, 2-hydroxy-4-[(5-methyl-3-isoxazoly..."	"Cc1onc(c1)\N=C\2/C=C(O)C(=O)c3ccccc23"	0	""	""	2	2	"384243"	NA
"673785"	673785	"4-[(4-Methyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione"	"Cc1cnoc1\N=C\2/C=C(O)C(=O)c3ccccc23"	0	""	""	1	1	"384244"	NA
"673787"	673787	"C15H12N2O3"	"Cc1noc(\N=C\2/C=C(O)C(=O)c3ccccc23)c1C"	0	""	""	1	1	"133732"	NA
"673788"	673788	"[(4E)-4-(3,4-dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OC2=C\C(=N/c3onc(C)c3C)\c4ccccc4C2=O"	0	""	""	1	1	"9571500"	NA
"673789"	673789	"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine"	"CC(CN(C)C)Nc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	1	1	"125178"	NA
"673790"	673790	"1-Nitro-9-(3-isopropylaminopropylamino)acridine"	"CC(C)NCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	"149747"	NA
"673791"	673791	"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-"	"CCCCCCNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	"149592"	NA
"673792"	673792	"9-acridinamine, n-[2-[(2-hydroxyethyl)amino]ethyl]-1-nitro-"	"OCCNCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	"384246"	NA
"673793"	673793	"9-acridinamine, n-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-..."	"COc1ccc2nc3cccc(c3c(NCCN(CCO)CCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"384247"	NA
"673794"	673794	"9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"CCCCCCNCCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	"384248"	NA
"673795"	673795	"9-acridinamine, n-[2-[(2-hydroxyethyl)amino]ethyl]-7-met..."	"COc1ccc2nc3cccc(c3c(NCCNCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"384249"	NA
"673796"	673796	"9-acridinamine, 7-methoxy-n-[2-[[2-(dimethylamino)ethyl]..."	"COc1ccc2nc3cccc(c3c(NCCNCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"384250"	NA
"673797"	673797	"9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-"	"COc1ccc2nc3cccc(c3c(NCCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	1	"384251"	NA
"673798"	673798	"9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"COc1ccc2nc3cccc(c3c(NC(C)CN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"384252"	NA
"673799"	673799	"Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-"	"COc1ccc2nc3cccc(c3c(NCCCCCC(=O)O)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"384253"	NA
"673800"	673800	"1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine"	"CNCCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	1	1	"384254"	NA
"673801"	673801	"9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	"COc1ccc2nc3cc(ccc3c(NCCCCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"384255"	NA
"673802"	673802	"2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol"	"COc1ccc2nc3cc(ccc3c(NCCO)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"384256"	NA
"673803"	673803	"9-acridinamine, n-[3-[bis(2-hydroxyethyl)amino]propyl]- ..."	"COc1ccc2nc3cc(ccc3c(NCCCN(CCO)CCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"384257"	NA
"673804"	673804	"9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	"COc1ccc2nc3cc(ccc3c(NCCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"384258"	NA
"673805"	673805	"propanoic acid, 3-[(1-nitro-9-acridinyl)amino]-, methyl ..."	"COC(=O)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	1	"384259"	NA
"673811"	673811	"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	"Brc1ccc(cc1)C2CC3(ON=C(N3c4ccccc4S2)c5ccccc5)c6ccccc6"	0	""	""	1	1	"384263"	NA
"673814"	673814	"5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	"[O-][N+](=O)c1ccc(cc1)C2CC3(ON=C(N3c4ccccc4S2)c5ccccc5)c6ccccc6"	0	""	""	1	1	"384266"	NA
"673824"	673824	""	"[O-][N+](=O)c1ccc(\C=C\C23=C4C5=C6C7=C2[Cr]34567(C#O)(C#O)C#O)cc1"	0	NA	NA	1	1	"582100"	NA
"673827"	673827	""	"C\C(=N/NC(=S)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	NA	NA	1	1	"515387"	NA
"673828"	673828	""	"C\C(=N/NC(=O)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	"515388"	NA
"673829"	673829	"hydrazinecarbothioamide, n,n-diethyl-2-[1-(6-methyl- 2-p..."	"CCN(CC)C(=S)N\N=C(/C)\c1cccc(C)n1"	0	""	""	2	2	"9554740"	NA
"673830"	673830	""	"CCNC(=S)N\N=C(/C)\c1cccc(C)n1"	0	NA	NA	1	1	"515390"	NA
"673831"	673831	"1-piperidinecarbothioic acid, 2-[1-(6-methyl- 2-pyridiny..."	"C\C(=N/NC(=S)N1CCCCC1)\c2cccc(C)n2"	0	NA	NA	2	2	"515391"	NA
"673832"	673832	"1-ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CCNC(=S)N\N=C\c1ccccn1"	0	""	""	1	1	"7728685"	NA
"673833"	673833	"2-Formylpyridine, diethylthiosemicarbazone"	"CCN(CC)C(=S)N\N=C\c1ccccn1"	0	""	""	2	2	"9554745"	NA
"673834"	673834	"ACM189288640"	"CCNC(=S)N\N=C\c1cc(OC)ccc1O"	0	""	""	1	1	"135484933"	NA
"673835"	673835	"1-ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea"	"CCNC(=S)N\N=C\c1cc(ccc1O)[N+](=O)[O-]"	0	""	""	1	1	"135484931"	NA
"673836"	673836	"1,1-diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea"	"CCN(CC)C(=S)N\N=C\c1cc(OC)ccc1O"	0	""	""	1	1	"135484935"	NA
"673837"	673837	"1,1-diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea"	"CCN(CC)C(=S)N\N=C\c1cc(ccc1O)[N+](=O)[O-]"	0	""	""	1	1	"135484937"	NA
"673838"	673838	""	"C\C(=N/NC(=S)N\N=C(/C)\C=C\c1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	"515398"	NA
"673841"	673841	"1h-dipyrazolo[1,5-a:4',3'-e]pyrimidine-3,4,7-triamine, 6..."	"Nc1n[nH]c2c1c(N)nc3c(N=Nc4ccc(Br)cc4)c(N)nn23"	0	""	""	3	3	"135489789"	NA
"673843"	673843	""	"CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Br)cc3)c(N)nn12"	0	NA	NA	2	1	"515402"	NA
"673844"	673844	"2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile"	"CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Cl)cc3)c(N)nn12"	0	""	""	2	2	"384286"	NA
"673914"	673914	"1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene"	"COC1(OC)C2(Cl)C3COCC3C1(Cl)C(=C2Cl)Cl"	0	""	""	2	1	"384297"	NA
"673916"	673916	"[7,7-Diethoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate"	"CCOC1(OCC)C2C=CC1C(COS(=O)(=O)c3ccc(C)cc3)C2COS(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"384299"	NA
"673921"	673921	"benzenesulfonic acid, 4-methyl-, 2-[4-(1,1-dimethylethyl..."	"C[C@H]1C[C@H](CC/C/1=N/NS(=O)(=O)c2ccc(C)cc2)C(C)(C)C"	0	NA	NA	1	1	"515421"	NA
"674007"	674007	"4-chloro-n-(n-(4-chlorophenyl)carbamohydrazonoyl)-2-merc..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N\C(=N\N)\Nc2ccc(Cl)cc2"	0	NA	NA	1	1	"515443"	NA
"674009"	674009	"4-chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N=C2NCCCN2"	0	""	""	1	1	"384325"	NA
"674019"	674019	"2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]benzamide"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)Nc4n[nH]c(Nc5ccc6ccccc6c5)n4)C(=O)Nc7ccc(Cl)cc7)cc2Cl)S(=O)(=O)Nc8n[nH]c(Nc9ccc%10ccccc%10c9)n8)cc1"	0	""	""	2	1	"16129908"	NA
"674049"	674049	"calystegine b2"	"O[C@H]1[C@H](O)[C@@H]2CC[C@@](O)(N2)[C@@H]1O"	0	""	""	2	1	"384346"	NA
"674050"	674050	"casuarine"	"O[C@H]1CN2[C@H](O)[C@@H](O)[C@H](O)[C@H]2C1O"	0	""	""	2	1	"384347"	NA
"674065"	674065	""	"COc1ccc(\C=C/2\N(CCc3cc(OC)c(OC)cc23)C(=O)c4ccccc4)cc1OC"	0	NA	NA	1	1	"515482"	NA
"674066"	674066	"stereoisomer of nsc 674067-p"	"COc1ccc2[nH]cc([C@@H]3C4CCC(C4)[C@H]3NCc5cccc(CN[C@H]6C7CCC(C7)[C@@H]6c8c[nH]c9ccc(OC)cc89)c5)c2c1"	0	NA	NA	3	2	"515483"	NA
"674067"	674067	"stereoisomer of NSC 674066-O"	"COc1ccc2[nH]cc([C@@H]3C4CCC(C4)[C@H]3NCc5cccc(CN[C@H]6C7CCC(C7)[C@@H]6c8c[nH]c9ccc(OC)cc89)c5)c2c1"	0	NA	NA	2	1	"515484"	NA
"674071"	674071	"2-[(Dimethylamino)methyl]-4-(phenylazo)phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2ccccc2"	0	""	""	1	1	"384361"	NA
"674076"	674076	"2-(dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2cccc(C)c2"	0	""	""	1	1	"384366"	NA
"674078"	674078	"4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2ccc(C)c(C)c2"	0	""	""	1	1	"384368"	NA
"674079"	674079	"4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2c(C)cccc2C"	0	""	""	1	1	"384369"	NA
"674085"	674085	"quinoline-4-carboxamide, n,n'-[(methylimino) bis(2,1-eth..."	"CN(CCNC(=O)c1cc(nc2ccccc12)c3ccccc3)CCNC(=O)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	2	"384377"	NA
"674091"	674091	"2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide"	"O=C(NCCCNCCCCNCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	2	"384384"	NA
"674092"	674092	"quinoline-4-carboxamide, n,n'-[(1,4-piperazinediyl) bis(..."	"O=C(NCCCN1CCN(CCCNC(=O)c2cc(nc3ccccc23)c4ccccc4)CC1)c5cc(nc6ccccc56)c7ccccc7"	0	NA	NA	2	2	"515507"	NA
"674093"	674093	"2-phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide"	"O=C(NCCCCCCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	1	1	"384387"	NA
"674096"	674096	"2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone"	"CNC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	"135399871"	NA
"674097"	674097	"2-acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarb..."	"CC(C)NC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	"135440007"	NA
"674098"	674098	"2-acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carb..."	"CCC(C)NC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	"135440008"	NA
"674099"	674099	"2-acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicar..."	"C\C(=N/NC(=S)NC(C)(C)C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	"135440009"	NA
"674100"	674100	"2-acetylimidazo[4,5-b]pyridin 4,4 dimethyl 3 thio-semica..."	"CN(C)C(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	1	1	"135440010"	NA
"674101"	674101	"2-acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semica..."	"C\C(=N/NC(=S)NC1CCCCC1)\c2nc3cccnc3[nH]2"	0	""	""	2	2	"135440011"	NA
"674102"	674102	"2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone"	"C\C(=N/NC(=S)Nc1ccccc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	"135440012"	NA
"674103"	674103	"2-acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosem..."	"C\C(=N/NC(=S)Nc1ccc(Cl)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	"135424828"	NA
"674105"	674105	"2-acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiose..."	"COc1ccc(NC(=S)N\N=C(/C)\c2nc3cccnc3[nH]2)cc1"	0	""	""	1	1	"135440013"	NA
"674106"	674106	"2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone"	"C\C(=N/NC(=S)Nc1ccc(C)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	"135440014"	NA
"674108"	674108	"2-acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicar..."	"C\C(=N/NC(=S)N1CCCC1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	"135440015"	NA
"674118"	674118	"2,2,2-trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide"	"CCCC1(CC(OC)OC2COC(OC12)c3ccccc3)NC(=O)C(F)(F)F"	0	""	""	1	1	"384395"	NA
"674127"	674127	"pyrido[2,3-d]pyrimidin-4-one, 6-[11-(4,4-diphenyl- 1-pip..."	"CC1=Nc2nc(C)c(C(=O)CCCCCCCCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)c(c6cccc(c6)[N+](=O)[O-])c2C(=O)N1CCN7CCOCC7"	0	""	""	1	1	"384400"	NA
"674131"	674131	"4-(1-Isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat"	"CC(C)C(=O)OC(C=C)c1ccc(OC(=O)C(C)C)cc1"	0	""	""	1	1	"384403"	NA
"674176"	674176	""	"CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OC(=O)C"	0	NA	NA	1	1	"515525"	NA
"674177"	674177	""	"Oc1c2CO[C@H]([C@@H](OCCOCCO[C@H]([C@@H](OCc1cc(c2)[n+]3c(cc(cc3c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9)c%10ccccc%10"	0	NA	NA	2	2	"515526"	NA
"674178"	674178	""	"Oc1c2CO[C@H]([C@@H](OCc3cccc(CO[C@H]([C@@H](OCc1cc(c2)[n+]4c(cc(cc4c5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9)n3)c%10ccccc%10)c%11ccccc%11"	0	NA	NA	2	2	"515527"	NA
"674182"	674182	""	"COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC2OC(CC2O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	2	2	"515528"	NA
"674184"	674184	""	"COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O"	0	NA	NA	2	2	"515530"	NA
"674192"	674192	"N,N-Dimethylmethanamine;[1-[[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoylboron"	"BC(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(O)C(=O)c2sccc12"	0	""	""	2	1	"6331387"	NA
"674196"	674196	"tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	"CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)C3(C)C=CC(=O)C=C13"	0	""	""	2	2	"135450441"	NA
"674198"	674198	"(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate"	"CC(=O)Oc1ccc2c(c1)c3C(=O)OC(=Nc3n2Cc4ccccc4)C"	0	""	""	2	2	"384421"	NA
"674199"	674199	"2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	"CN(C)C1=Nc2c([nH]c(C)c2C(=O)O1)c3ccccc3"	0	""	""	1	1	"384422"	NA
"674200"	674200	"2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	"CC1=Nc2c([nH]c(C)c2C(=O)O1)c3ccccc3"	0	""	""	1	1	"384423"	NA
"674201"	674201	"tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	"COCN1C(=C(C(=O)OC(C)(C)C)C2=CC(=O)C=CC12C)N"	0	""	""	1	1	"135450442"	NA
"674203"	674203	"[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate"	"COCn1c2N=C(C)OC(=O)c2c3cc(OC(=O)C)ccc13"	0	""	""	1	1	"384426"	NA
"674211"	674211	"7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one"	"COCn1c(C)c(C)c2C(=O)OC(=Nc12)C"	0	""	""	1	1	"384434"	NA
"674212"	674212	""	"Clc1ccc(cc1)\C(=C/c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	"515557"	NA
"674213"	674213	""	"[O-][N+](=O)c1ccc(cc1)\C(=C/c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	"515558"	NA
"674214"	674214	""	"Clc1ccc(cc1)\C(=C\c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	"515559"	NA
"674215"	674215	"5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole"	"COc1cc(Br)cc2nc(oc12)c3cccs3"	0	""	""	2	1	"384437"	NA
"674219"	674219	""	"CN1[C@H]2[C@@H](CCC(=C2c3ccccc13)c4ccccc4)C(=O)N5C6C[C@@H]7CC[C@@]6(CS5(=O)=O)C7(C)C"	0	NA	NA	1	1	"515561"	NA
"674220"	674220	""	"CC1=C2[C@H]([C@@H](CC1)C(=O)N3C4C[C@@H]5CC[C@@]4(CS3(=O)=O)C5(C)C)N(c6ccccc26)S(=O)(=O)c7ccccc7"	0	NA	NA	1	1	"515562"	NA
"674222"	674222	"10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene"	"[O-][N+](=O)c1ccc2c(c1)c3OCCCCn4nc(OCCCCn2n3)c5cc(ccc45)[N+](=O)[O-]"	0	""	""	1	1	"384441"	NA
"674223"	674223	""	"CC(C)(C)[C@@H]1NC(=O)CN1C(=O)OCc2ccccc2"	0	NA	NA	1	1	"515565"	NA
"674224"	674224	""	"CC(C)(C)[C@H]1NC(=O)CN1C(=O)OCc2ccccc2"	0	NA	NA	1	1	"515566"	NA
"674225"	674225	"2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine"	"COC(=O)Cc1ccc2N(C)c3cc(CC(=O)OC)ccc3Sc2c1"	0	""	""	2	1	"384444"	NA
"674233"	674233	"Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1ccc([nH]1)c2cccs2"	0	""	""	2	1	"384453"	NA
"674256"	674256	"STL257911"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccccc3"	0	""	""	2	2	"384454"	NA
"674257"	674257	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccc(Cl)cc3"	0	""	""	1	1	"384455"	NA
"674258"	674258	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)C"	0	""	""	2	2	"384456"	NA
"674259"	674259	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"384457"	NA
"674261"	674261	"CBMicro_030030"	"O=C(Cn1c(nc2ccccc12)C(=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	"384459"	NA
"674262"	674262	"ethanone, 2-(2-benzoyl-1h-benzimidazol-1-yl)- 1-(4-chlor..."	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	"384460"	"170031784"
"674263"	674263	"2-Phenylpyrido[1,2-a]benzimidazol-4-ol"	"Oc1cc(cn2c3ccccc3nc12)c4ccccc4"	0	""	""	2	2	"384461"	NA
"674264"	674264	"2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol"	"Cc1ccc(cc1)c2cc(O)c3nc4ccccc4n3c2"	0	""	""	1	1	"384462"	NA
"674265"	674265	"2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol"	"Oc1cc(cn2c3ccccc3nc12)c4ccc(Cl)cc4"	0	""	""	1	1	"384463"	NA
"674268"	674268	"1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol"	"Cc1c(cc(O)c2nc3ccccc3n12)c4ccccc4"	0	""	""	1	1	"384466"	NA
"674270"	674270	"AJ-131/36477015"	"Cc1nc(cn2c3ccccc3nc12)c4ccccc4"	0	""	""	2	2	"384468"	NA
"674271"	674271	"1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole"	"Cc1ccc(cc1)c2cn3c4ccccc4nc3c(C)n2"	0	""	""	2	2	"384469"	NA
"674272"	674272	"Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-"	"Cc1nc(cn2c3ccccc3nc12)c4ccc(Cl)cc4"	0	""	""	2	2	"384470"	NA
"674273"	674273	"3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)c2cn3c4ccccc4nc3c(C)n2"	0	""	""	2	2	"384471"	NA
"674276"	674276	"pyrazino[1,2-a]benzimidazole, 1,3-diphenyl-"	"c1ccc(cc1)c2cn3c4ccccc4nc3c(n2)c5ccccc5"	0	""	""	2	2	"384474"	NA
"674278"	674278	"AJ-131/36477019"	"Clc1ccc(cc1)c2cn3c4ccccc4nc3c(n2)c5ccccc5"	0	""	""	2	1	"384476"	NA
"674282"	674282	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate"	"COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6occc6)OC(=O)C"	0	""	""	2	2	"384478"	NA
"674283"	674283	"(2S)-2-[1-[1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-heptaoxo-22-propan-2-yl-6,23-dioxa-2,9,15,18-tetrazatricyclo[23.3.1.011,15]nonacosa-1(28),25(29),26-trien-4-yl]-4-methylpentanamide"	"COc1ccc(C[C@@H]2N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)c4cccc(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)C(C)C(=O)C5CCCN5C(=O)[C@H](C)O)[C@@H](C)OC2=O)c4OC)C(C)C)cc1"	0	""	""	1	1	"384479"	NA
"674286"	674286	"ap751"	"OC(=O)COc1cc(nc2cc(F)ccc12)c3ccccc3"	0	""	""	1	1	"384481"	NA
"674288"	674288	"[(6-Fluoro-2-phenylquinolin-4-yl)oxy]acetic acid"	"OC(=O)COc1cc(nc2ccc(F)cc12)c3ccccc3"	0	""	""	1	1	"384483"	NA
"674312"	674312	"pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)..."	"Nc1nn2c(cc(nc2c1[N+](=O)[O-])C(Br)Br)C(Br)Br"	0	""	""	2	2	"384486"	NA
"674316"	674316	"3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole"	"ClCc1nn(c(CCl)c1CCl)c2ccccc2"	0	""	""	2	2	"384487"	NA
"674347"	674347	"4-(1,1-dimethylethyl)-1-(1-methylethyl)-{9,10-dihydro-12..."	"COc1c2CN3C(=O)C(=C(C=C3c2nc4ccccc14)C(CC(=O)OC(C)(C)C)C(=O)OC(C)C)CO"	0	""	""	2	2	"384499"	NA
"674350"	674350	"3,6-dimethylthio-dihydrotetrazine"	"CSC1=NN=C(NN1)SC"	0	""	""	1	1	"384502"	NA
"674351"	674351	"1,4-Dimethoxy-7-bromo-5H-benzocycloheptene"	"COc1ccc(OC)c2C=CC(=CCc12)Br"	0	""	""	1	1	"384503"	NA
"674352"	674352	"3,6-dimethylthio-1,2,4,5-tetrazine"	"CSc1nnc(SC)nn1"	0	""	""	1	1	"384504"	NA
"674449"	674449	"phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"O=C(Oc1ccccc1)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26"	0	""	""	1	1	"5468682"	NA
"674454"	674454	"(Z)-3-iodo-1,2-diphenyl-2-propen-1-one"	"I\C=C(/C(=O)c1ccccc1)\c2ccccc2"	0	""	""	2	2	"5468683"	NA
"674455"	674455	"(Z)-1-iodo-2-phenyl-1-penten-3-one"	"CCC(=O)\C(=C/I)\c1ccccc1"	0	""	""	1	1	"5468684"	NA
"674456"	674456	"(Z)-4-iodo-3-phenyl-3-buten-2-one"	"CC(=O)\C(=C/I)\c1ccccc1"	0	""	""	1	1	"5468685"	NA
"674469"	674469	"1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methylamino]-3-phenylselanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CN(O[Si](C)(C)C(C)(C)C)C1C(CO[Si](C)(C)C(C)(C)C)OC(C1[Se]c2ccccc2)N3C=C(C)C(=O)NC3=O"	0	""	""	1	1	"384518"	NA
"674492"	674492	"1-Benzylidene-4-(1-naphthyl)semicarbazide"	"O=C(N\N=C\c1ccccc1)Nc2cccc3ccccc23"	0	""	""	1	1	"5899597"	NA
"674493"	674493	"hydrazinecarboxamide, n-(1-naphthyl)- 2-[(4-nitrophenyl)..."	"[O-][N+](=O)c1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	2	2	"5899598"	NA
"674494"	674494	"1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"3704318"	NA
"674495"	674495	"benzothiazole"	"Cc1cc(ccc1N)c2nc3ccccc3s2"	0	""	""	4	4	"384525"	NA
"674496"	674496	"benzothiazole, 2-(4-amino-3-iodophenyl)-"	"Nc1ccc(cc1I)c2nc3ccccc3s2"	0	""	""	3	3	"384526"	NA
"674498"	674498	"9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NCCO)cc2)n1"	0	""	""	1	1	"384527"	NA
"674499"	674499	"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCO)cc1"	0	""	""	2	1	"384528"	NA
"674500"	674500	"N-(2-hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCO)cc1"	0	""	""	1	1	"384529"	NA
"674502"	674502	"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NC(CO)(CO)CO)cc2)n1"	0	""	""	1	1	"384531"	NA
"674503"	674503	"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NC(CO)(CO)CO)cc1"	0	""	""	1	1	"384532"	NA
"674504"	674504	"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NC(CO)(CO)CO)cc1"	0	""	""	1	1	"384533"	NA
"674506"	674506	"N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NCCCN(CCO)CCO)cc2)n1"	0	""	""	1	1	"384535"	NA
"674507"	674507	"N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCCN(CCO)CCO)cc1"	0	""	""	1	1	"384536"	NA
"674508"	674508	"N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NNCCO)cc2)n1"	0	""	""	1	1	"384537"	NA
"674509"	674509	"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NNCCO)cc1"	0	""	""	1	1	"384538"	NA
"674560"	674560	"3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one"	"O=C1CSC(\C=C\c2ccccc2)N1c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	"6283154"	NA
"674565"	674565	"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	"384551"	NA
"674572"	674572	"2-(4-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one"	"Clc1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	"384558"	NA
"674579"	674579	"3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1ccc(cc1OC)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384565"	NA
"674581"	674581	"3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"Clc1cccc(c1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384567"	NA
"674582"	674582	"2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	"[O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384568"	NA
"674583"	674583	"2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	"[O-][N+](=O)c1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384569"	NA
"674585"	674585	"3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1ccccc1C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384571"	NA
"674586"	674586	"3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1cccc(C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6)c1OC"	0	""	""	2	1	"384572"	NA
"674587"	674587	"3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"Clc1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384573"	NA
"674588"	674588	"3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1cc(ccc1O)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	"384574"	NA
"674601"	674601	"({2-[(2-Aminoethyl)amino]-2-oxoethyl}{2-[bis(carboxymethyl)amino]cyclohexyl}amino)acetic acid"	"NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O"	0	""	""	1	1	"384588"	NA
"674604"	674604	"N,N'-bis[2-(tritylamino)cyclohexyl]oxamide"	"O=C(NC1CCCCC1NC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)NC5CCCCC5NC(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	"384592"	NA
"674609"	674609	"2-(tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide"	"O=C(CNC(c1ccccc1)(c2ccccc2)c3ccccc3)NC4CCCCC4NC(=O)CNC(c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"384597"	NA
"674611"	674611	"2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran"	"C1CCC(Oc2ccc(cc2)C(=Cc3ccccc3)c4ccc(OC5CCCCO5)cc4)OC1"	0	""	""	2	1	"384599"	NA
"674615"	674615	"Methyl 5-(1-chlorooctan-2-yl)-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate"	"CCCCCCC(CCl)c1sc(nc1C(=O)OC)c2csc(CCNC(=O)OC(C)(C)C)n2"	0	""	""	1	1	"384603"	NA
"674618"	674618	"4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine"	"COc1ccc(cc1)C2=Nc3cc(C)c(C)cc3NC(C2)c4ccccc4"	0	""	""	1	1	"384606"	NA
"674620"	674620	"concanamycin a"	"CC[C@H]1[C@@H](O)[C@H](C)C\C(=C\C=C\[C@H](OC)[C@H](OC(=O)\C(=C\C(=C\[C@@H](C)[C@H]1O)\C)\OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@H](OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)\C"	0	""	""	2	2	"5468688"	NA
"674621"	674621	"concanamycin c"	"CC[C@H]1[C@@H](O)[C@H](C)C\C(=C\C=C\[C@H](OC)[C@H](OC(=O)\C(=C\C(=C\[C@@H](C)[C@H]1O)\C)\OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@H](OC3CC(O)C(O)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)\C"	0	""	""	2	2	"24202503"	"81552343"
"674622"	674622	"O-methyl-concanamycin B"	"CO[C@H]1\C=C\C=C(/C)\C[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]2(CC(OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)OC"	0	""	""	2	2	"5468689"	NA
"674623"	674623	"[(8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate"	"C\C=C(\C)/C(=O)OC1CC(C)[C@H]2CC(=O)C(=C2CC1C(C)(C)OC(=O)C)C"	0	""	""	1	1	"5468690"	NA
"674624"	674624	"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	"C\C(=C\CC[C@](C)(OC1OC(CO)C(O)C(O)C1O)[C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@H](O)[C@@]34C)\CO"	0	""	""	1	1	"5468691"	NA
"674674"	674674	"pectenotoxin 1"	"C[C@H]1C[C@]2(C)CC[C@H](O2)[C@]34CC[C@](CO)(C[C@H](O3)[C@@H]5O[C@@](C)(CC5=O)[C@@H](O)[C@H]6CC[C@@]7(CCC[C@@H](O7)[C@H](C)C(=O)O[C@H]8C[C@@H](O[C@H]8\C=C\C(=C\1)\C)[C@]9(O)OCC[C@H](C)[C@@H]9O)O6)O4"	0	""	""	2	2	"5468696"	NA
"674677"	674677	"2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	2	2	"384634"	NA
"674678"	674678	"1,8-naphthyridin-4(1h)-one, 2-(3-methoxyphenyl)-7-methyl-"	"COc1cccc(c1)C2=CC(=O)c3ccc(C)nc3N2"	0	""	""	2	2	"5468698"	NA
"674679"	674679	"2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"COc1cccc(c1)C2=CC(=O)c3c(C)cc(C)nc3N2"	0	""	""	2	2	"5468699"	NA
"674681"	674681	"2-(2-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccccc1C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	1	1	"384638"	NA
"674685"	674685	"2-(4-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccc(cc1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	1	1	"384642"	NA
"674686"	674686	"2-(4-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccc(cc1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	1	1	"384643"	NA
"674699"	674699	"9-[3-[n-(2-n,n-dimethylamino)ethyl]aminopropyl]amino- 1-..."	"CN(C)CCNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	"515792"	NA
"674701"	674701	"dinaphtho[1,2-b:2',1'-g][1,8]naphthyridine- 7a-carbonitr..."	"N#CC12CC3=C(NC1=NC4=C(CCc5ccccc45)C2)c6ccccc6CC3"	0	""	""	2	2	"384656"	NA
"674704"	674704	"1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone"	"CC(=CC(Cc1ccccc1)S(=O)(=O)c2nc3ccccc3s2)C"	0	""	""	2	2	"384659"	NA
"674706"	674706	"1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone"	"ClC(CS(=O)(=O)c1nc2ccccc2s1)c3ccccc3"	0	""	""	2	2	"384661"	NA
"674707"	674707	""	"O=C1OC[C@@H]2[C@@H]3O[C@H]([C@H]12)C(=O)C4=C3CCC4"	0	NA	NA	1	1	"515800"	NA
"674712"	674712	"6-(3,4-Dichlorobenzylidene)-5-oxo-2,4-bis(triphenylphosphonio)cyclohexa-1,3-diene-1,3-diolate"	"OC1=C(C(=O)C(=C(O)C1=Cc2ccc(Cl)c(Cl)c2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	1	"384667"	NA
"674714"	674714	""	"COc1ccc(N\N=C\2/CCOc3ccc(C)cc3C2=O)cc1"	0	NA	NA	1	1	"515807"	NA
"674715"	674715	""	"Cc1cc2OCC\C(=N/Nc3ccc(F)cc3)\C(=O)c2cc1C"	0	NA	NA	1	1	"515808"	NA
"674720"	674720	"5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)CN2C(=O)Oc3ccc(cc23)C(=O)c4ccccc4Cl"	0	""	""	1	1	"384675"	NA
"674721"	674721	"5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one"	"Clc1cccc(c1)C(=O)c2ccc3OC(=O)N(CC(=O)c4ccccc4)c3c2"	0	""	""	1	1	"384676"	NA
"674908"	674908	"benzofuran-3-carboxylic acid, 2,3-dihydro- 2-(4-hydroxy-..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	2	2	"515822"	NA
"674909"	674909	""	"COc1ccc(cc1OC)C2Oc3c(OC)cc(CCCO)cc3C2CO"	0	NA	NA	1	1	"515823"	NA
"674912"	674912	"LS-12647"	"COC(=O)\C=C/1\OC(=CC1=O)c2ccccc2"	0	""	""	2	1	"703028"	NA
"674913"	674913	"LS-12493"	"COC(=O)\C=C/1\OC(=C(C)C1=O)c2ccccc2"	0	""	""	1	1	"5468708"	NA
"674915"	674915	"(2E)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"BrC1=C(O\C(=C\C(=O)c2ccc(Br)cc2)\C1=O)c3ccccc3"	0	""	""	1	1	"5468710"	NA
"674916"	674916	"(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"Clc1ccc(cc1)C(=O)\C=C\2/OC(=CC2=O)c3ccccc3"	0	""	""	1	1	"1550413"	NA
"674917"	674917	"(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one"	"Cc1ccc(cc1)C2=CC(=O)\C(=C/C(=O)c3ccc(Cl)cc3)\O2"	0	""	""	1	1	"5468711"	NA
"674918"	674918	"methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate"	"COC(=O)\C=C/1\OC(=CC1=O)c2ccc(C)cc2C"	0	""	""	1	1	"5468712"	NA
"674919"	674919	"furan-3(2h)-one, 2-[2-(4-bromophenyl)-2-oxoethylidene]- ..."	"Cc1ccc(C2=CC(=O)\C(=C/C(=O)c3ccc(Br)cc3)\O2)c(C)c1"	0	""	""	3	2	"5468713"	NA
"674920"	674920	"(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"Clc1ccc(cc1)C(=O)\C=C/2\OC(=CC2=O)c3ccccc3"	0	""	""	1	1	"1550412"	NA
"674930"	674930	"(2E,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	"COc1ccc(NC(=O)\C=C(/C)\C=C\C=C(\C)/C=C/C2=C(C)CCCC2(C)C)cc1"	0	""	""	1	1	"6153376"	NA
"674934"	674934	"4-(1-adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"COc1cccc(OC)c1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"384698"	NA
"674935"	674935	"4-(1-adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	"384699"	NA
"674937"	674937	"4-(1-adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6ccc(Cl)cc6"	0	""	""	1	1	"384701"	NA
"674938"	674938	"4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	"COc1ccccc1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccc(cc6)[N+](=O)[O-]"	0	""	""	1	1	"384702"	NA
"674939"	674939	"3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6cccc(c6)C#N"	0	""	""	1	1	"384703"	NA
"674942"	674942	"2-[(E)-(3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid"	"OC(=O)c1ccccc1\C=C\2/Cc3cc4CCCc4cc3C2=O"	0	""	""	1	1	"5887129"	NA
"674944"	674944	"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one"	"O=C1C(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c14"	0	""	""	1	1	"384708"	NA
"674946"	674946	"(2E)-2-(indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one"	"O=C1\C(=C\c2ccc3CCCc3c2)\Cc4cc5CCCc5cc14"	0	""	""	1	1	"5468714"	NA
"674947"	674947	"Ethanone, 2,2-dibromo-1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-"	"BrC(Br)C(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	2	2	"384711"	NA
"674951"	674951	"Spiro[2H-benz[f]indene-2,2'(5'H)-[s]indacen]-5'-one, 1,1',3,3',5,6,6',7,7',8-decahydro-"	"O=C1CCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc3cc12"	0	""	""	1	1	"384715"	NA
"674955"	674955	"spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione"	"O=C1c2ccccc2CC13Cc4ccc5CCCCc5c4C3=O"	0	""	""	1	1	"384719"	NA
"674956"	674956	"2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one"	"O=C1C(Cc2ccc3CCCCc3c2)Cc4ccc5CCCCc5c14"	0	""	""	1	1	"384720"	NA
"674957"	674957	"methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CC3(Cc4cc5CCCc5c(C(=O)C)c4C3)Cc2cc6C=CCc16"	0	""	""	2	1	"384721"	NA
"674959"	674959	"Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccccc2)Cc3cc4CCCc4cc3C1=O"	0	""	""	1	1	"384723"	NA
"674964"	674964	"spiro[s-indacene-2(1h),2'-[2h]indene]-8-carboxylic acid,..."	"OC(=O)c1c2CCCc2cc3CC4(Cc5ccccc5C4=O)Cc13"	0	""	""	2	2	"384728"	NA
"674966"	674966	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4cc5CCCc5cc4C1=O"	0	""	""	3	1	"384730"	NA
"674991"	674991	""	"[Na+].C[Si](C)(OCCS(=O)(=O)O)C1S(=O)(=O)OCCOS1(=O)=O"	0	NA	NA	1	1	"515884"	NA
"674993"	674993	"1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone"	"CC(=O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"384744"	NA
"674994"	674994	"Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid"	"[Na+].OS(=O)(=O)CCCC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"54602175"	NA
"674995"	674995	"methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)CCc1cc(OC)c2O[C@@H]([C@@H](C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	""	""	1	1	"384747"	NA
"674996"	674996	""	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	2	2	"515889"	NA
"674998"	674998	"benzofuran-3-carboxylic acid, 2,3-dihydro- 7-methoxy-5-(..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	2	2	"515891"	NA
"675000"	675000	""	"COC(=O)CCc1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	2	2	"515893"	NA
"675002"	675002	"Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate"	"COC(=O)CCc1cc(OC)c2oc(c(CO)c2c1)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"384749"	NA
"675003"	675003	"benzofuran-3-carboxylic acid, 2,3-dihydro-7-hydroxy- 2-(..."	"COC(=O)\C=C\c1cc(O)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	""	""	2	2	"5468717"	"256330140"
"675004"	675004	"Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)CCc1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	""	""	2	2	"384751"	NA
"675006"	675006	"methyl (2S,3S)-2-(4-hydroxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)\C=C\c1ccc2O[C@@H]([C@@H](C(=O)OC)c2c1)c3ccc(O)cc3"	0	""	""	1	1	"5468718"	NA
"675010"	675010	"Rietone 1"	"COC(=O)Cc1cc(O)c(C\C=C(/C)\CC\C=C(/C)\C(O)C(=O)C=C(C)C)cc1O"	0	""	""	1	1	"5468719"	NA
"675012"	675012	"pyrazino[2,1-b:5,4-b']diisoquinolin-14(13ah)-one, 6-cyan..."	"COc1ccc(OC)c2[C@H](C)N3[C@H](Cc12)C(C#N)N4[C@@H](C)c5c(OC)ccc(OC)c5C[C@@H]4C3=O"	0	""	""	2	2	"384758"	NA
"675186"	675186	"N-(4-Chloro-3-((3-Methyl-2-Butenyl)Oxy)Phenyl)-2-Methyl-3-Furancarbothioamide"	"CC(=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl)C"	0	""	""	1	1	"3000926"	NA
"675187"	675187	"UC 82"	"CC(=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl)C"	0	""	""	1	1	"3000927"	NA
"675206"	675206	"STK377814"	"CCOC(=O)C(NC(=O)CC(C)C)(N1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4)C(F)(F)F"	0	""	""	1	1	"384770"	NA
"675211"	675211	"AOCZIGJIXLUOCB-UHFFFAOYSA-N"	"CCOC(=O)C(NC(=O)c1ccccc1)(N2CCN(CC2)c3cc4N(CC)C=C(C(=O)O)C(=O)c4cc3F)C(F)(F)F"	0	""	""	1	1	"384775"	NA
"675212"	675212	"7-[4-[3-Ethoxy-2-(ethoxycarbonylamino)-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCOC(=O)NC(N1CCN(CC1)c2cc3N(CC)C=C(C(=O)O)C(=O)c3cc2F)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	"384776"	NA
"675213"	675213	"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate"	"CCOC(=O)NC(Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	"384777"	NA
"675214"	675214	"KGIPRPGSWXIOOJ-UHFFFAOYSA-N"	"CCOC(=O)NC(Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	"384778"	NA
"675215"	675215	"4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1C2CC2"	0	""	""	1	1	"384779"	NA
"675220"	675220	""	"CC1=NNC(=O)N1\N=C/c2ccccc2"	0	NA	NA	1	1	"515930"	NA
"675223"	675223	"1h-1,2,4-triazole-5(4h)-one, 4-[[(4-nitrophenyl)methylen..."	"[O-][N+](=O)c1ccc(\C=N\N2C(=O)NN=C2c3ccccc3)cc1"	0	""	""	2	2	"9571512"	NA
"675248"	675248	"2-(Diiodomethylidene)cyclohexanone"	"IC(=C1CCCCC1=O)I"	0	""	""	1	1	"384792"	NA
"675249"	675249	"1-N,4-N-bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(CC2)(CC3)C(=O)Nc4cc(CN(C)C)cc(c4)N(CC)CCCl)c1"	0	""	""	1	1	"384793"	NA
"675250"	675250	"3-N,5-N-bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2cc(C(=O)Nc3cc(CN(C)C)cc(c3)N(CC)CCCl)n(C)n2)c1"	0	""	""	1	1	"384795"	NA
"675251"	675251	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)N(CCCl)NN)c1"	0	""	""	1	1	"384797"	NA
"675252"	675252	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(CN(C)C)c3)c1"	0	""	""	1	1	"384799"	NA
"675253"	675253	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3ccccc3)c1"	0	""	""	1	1	"384801"	NA
"675254"	675254	"1-N-[3-[2-chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cccc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(CN(C)C)c3)c1"	0	""	""	1	1	"384803"	NA
"675255"	675255	"1-N,3-N-bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride"	"CCN(CCCl)c1ccc(NC(=O)c2cc(cc(c2)C(=O)Nc3ccc(cc3)N(CC)CCCl)C(=O)NCCN(C)C)cc1"	0	""	""	1	1	"384805"	NA
"675256"	675256	"N-(2-chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride"	"CN(CCCl)c1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6"	0	""	""	1	1	"384807"	NA
"675257"	675257	"N,N-bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(CCCc6ccc(cc6)N(CCCl)CCCl)nc5c4"	0	""	""	1	1	"384809"	NA
"675263"	675263	""	"C1[C@H]2Cc3c(nnc(c4ccccn4)c3[C@H]2[C@@H]5[C@H]1Cc6c(nnc(c7ccccn7)c56)c8ccccn8)c9ccccn9"	0	NA	NA	1	1	"515950"	NA
"675266"	675266	"Cytostatin"	"[Na+].C\C=C\C=C/C=C\C(O)C(C)C(CCC(C)C1OC(=O)C=CC1C)OP(=O)(O)O"	0	""	""	2	2	"23675948"	NA
"675271"	675271	"N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide"	"CC(=O)Nc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	2	1	"384819"	NA
"675272"	675272	"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate"	"CC(=O)Oc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	2	1	"384820"	NA
"675278"	675278	"5-hydroxy-7-amino(1,2,3)thiadiazole[5,4-d]pyrimidine"	"Nc1nc(O)nc2snnc12"	0	""	""	2	2	"135420622"	NA
"675353"	675353	"2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(O)cc12"	0	""	""	1	1	"384835"	NA
"675362"	675362	"[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCCc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384844"	NA
"675363"	675363	"N-benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384845"	NA
"675364"	675364	"1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCNCC5"	0	""	""	2	2	"384846"	NA
"675365"	675365	"N-cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NC3CCCCC3)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384847"	NA
"675366"	675366	"N-(2-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccccc1NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	"384848"	NA
"675367"	675367	"4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1OC)C2C(C)C(Nc3ccc(cc3)C(=O)O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384849"	NA
"675368"	675368	"ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate"	"CCOC(=O)c1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	"384850"	NA
"675369"	675369	"8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(ccc1O)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384851"	NA
"675370"	675370	"[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate"	"COc1cc(ccc1OC(=O)C)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	"384852"	NA
"675371"	675371	"2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone"	"CC(=O)C1=CC=C/C/1=N\Nc2ccccc2"	0	""	""	1	1	"9571513"	NA
"675462"	675462	"6,12-dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12..."	"OC(=O)C1(O)N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	1	1	"384866"	NA
"675474"	675474	"di-o-methylthujaplicatin methyl ether"	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3cc(OC)c(OC)c(OC)c3)cc1OC"	0	NA	NA	2	1	"516017"	NA
"675475"	675475	""	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(Br)cc3)cc1OC"	0	NA	NA	2	1	"516018"	NA
"675476"	675476	""	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3cccc(Br)c3)cc1OC"	0	NA	NA	1	1	"516019"	NA
"675554"	675554	"uvidin a"	"CC1(C)CCC[C@]2(C)[C@@H](CO)[C@@]3(C)O[C@H]3C(=O)C12"	0	""	""	1	1	"384882"	NA
"675562"	675562	""	"C[C@@H]1CC(OC(=O)C)C2(COC(=O)C)C(CCC(O)C23CO3)C14CC(OC4=O)c5cocc5"	0	NA	NA	1	1	"516026"	NA
"675564"	675564	""	"C[C@@H]1CC(OC(=O)C)[C@]23COC(=O)C1(C[C@H](O)c4cocc4)C2CCC(O)C35CO5"	0	NA	NA	1	1	"516028"	NA
"675574"	675574	"6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	"CCN(CC)CCN1C(=O)c2ccccc2n3c1nc4N(C)C(=O)N(C)C(=O)c34"	0	""	""	1	1	"384892"	NA
"675576"	675576	"6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	"CCN(CC)CCCN1C(=O)c2ccccc2n3c1nc4N(C)C(=O)N(C)C(=O)c34"	0	""	""	1	1	"384894"	NA
"675587"	675587	"C12H8N2O2S"	"[O-][N+](=O)c1ccc2Nc3ccccc3Sc2c1"	0	""	""	1	1	"3838042"	NA
"675588"	675588	"10-(4-Chlorobutyl)-3-nitrophenothiazine"	"[O-][N+](=O)c1ccc2N(CCCCCl)c3ccccc3Sc2c1"	0	""	""	1	1	"384900"	NA
"675593"	675593	"carbamodithioic acid, dipropyl-, diester with 1,4-pipera..."	"CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(CC2)c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])c1[N+](=O)[O-]"	0	""	""	2	2	"384902"	NA
"675766"	675766	"LS-152539"	"O=C1N2N=C(CSC2=Nc3sc(cc13)c4ccccc4)c5ccccc5"	0	""	""	1	1	"384942"	NA
"675772"	675772	"glutamic acid, n-[4-[[6-(trifluoromethyl)-2-quinoxalinyl..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	"384948"	NA
"675774"	675774	"3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline"	"COc1cc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"384950"	NA
"675779"	675779	"3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	"COc1cc(CNc2nc3ccccc3nc2c4cccs4)cc(OC)c1OC"	0	""	""	1	1	"384955"	NA
"675783"	675783	"N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine"	"COc1ccc(CNc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	"384959"	NA
"675801"	675801	"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)Nc3nc(cs3)C45CC6CC(CC(C6)C4)C5)C(=O)Oc12"	0	""	""	1	1	"384971"	NA
"675808"	675808	"Arboricin"	"CN1C(=O)C(=C(O)c2ccccc12)c3ccccc3"	0	""	""	1	1	"54680431"	NA
"675819"	675819	"2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one"	"[O-][N+](=O)c1ccc2N3CCc4ccccc4C=C3C(=O)c2c1"	0	""	""	1	1	"384992"	NA
"675823"	675823	"1-[(2-chlorophenyl)methyl]-5-nitro-2H-indazol-3-one"	"Oc1nn(Cc2ccccc2Cl)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	"384996"	NA
"675863"	675863	"AE-406/40544269"	"CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O"	0	""	""	1	1	"385010"	NA
"675864"	675864	"3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one"	"Oc1nnnc2c3cccnc3sc12"	0	""	""	1	1	"135489792"	NA
"675865"	675865	"isothiazolo[4,5-d]pyrimidin-7-amine,3-(.beta.-d-ribofura..."	"Nc1ncnc2c(nsc12)C3OC(CO)C(O)C3O"	0	""	""	3	2	"385012"	NA
"675868"	675868	"Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc3C(=O)c4ccccc4Oc23)C(=O)OC)CF"	0	""	""	1	1	"385014"	NA
"675880"	675880	"Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate"	"CCOC(=O)\C(=C(\N)/N1CCCC1)\C(=S)Nc2ccccc2"	0	""	""	1	1	"3005134"	NA
"675961"	675961	"Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester"	"CCOC(=O)CN1Sc2ncc(cc2C1=O)[N+](=O)[O-]"	0	""	""	1	1	"385040"	NA
"675963"	675963	"3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxyphenyl)-2-methoxybenzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxyphenyl]-2-methoxybenzoic acid"	"COc1c(cccc1c2cccc(C(=O)NCCN(CCNC(=O)c3cccc(c3OC)c4cccc(C(=O)O)c4OC)CCNC(=O)c5cccc(c5OC)c6cccc(C(=O)O)c6OC)c2OC)C(=O)O"	0	""	""	1	1	"385042"	NA
"675967"	675967	"2-Phenyl-12-amino-4H-1-oxa-7-azabenz[a]anthracen-4-one"	"Nc1c2ccccc2nc3ccc4C(=O)C=C(Oc4c13)c5ccccc5"	0	""	""	2	1	"385046"	NA
"675984"	675984	"N-(2-morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide"	"O=C(NCCN1CCOCC1)c2cn3c4C(=O)c5ccccc5Sc4ccc3n2"	0	""	""	1	1	"385055"	NA
"675985"	675985	"11h-[1]benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine- 2-c..."	"O=C(NCCN1CCCC1)c2cn3c4C(=O)c5ccccc5Sc4ccc3n2"	0	""	""	2	2	"385056"	NA
"675986"	675986	"11h-benzothiopyrano[2',3':5,6]pyrido[1,2-a]imidazole- 2-..."	"CCN(CC)CCNC(=O)c1cn2c3C(=O)c4ccccc4Sc3ccc2n1"	0	""	""	2	2	"385057"	"4742692"
"675988"	675988	"11h-[1]benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine- 2-c..."	"CN(C)CCCNC(=O)c1cn2c3C(=O)c4ccccc4Sc3ccc2n1"	0	""	""	2	2	"385059"	NA
"675989"	675989	"1,3-dithiolo[3,4-d]pyrimidine-2-thione, 5,7-dichloro-"	"Clc1nc(Cl)c2SC(=S)Sc2n1"	0	""	""	2	2	"385060"	NA
"675992"	675992	""	"Oc1ccc([I+]c2ccccc2)cc1O"	0	NA	NA	1	1	"516205"	NA
"675994"	675994	"9-methoxypaullone"	"COc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"385068"	NA
"675995"	675995	"9-methylpaullone"	"Cc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"385069"	NA
"675996"	675996	"9-fluoropaullone"	"Fc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"385070"	NA
"676000"	676000	"2-(4-Chloroacetylaminophenyl)benzothiazole"	"ClCC(=O)Nc1ccc(cc1)c2nc3ccccc3s2"	0	""	""	4	2	"385071"	NA
"676002"	676002	"Herveline O"	"COc1cc2C[C@@H]3N(C)[C@@H](Cc4c(Oc5cc6[C@@H](Cc7ccc(O)cc7)N(C)CCc6cc5OC)c(OC)c(OC)cc34)c2cc1O"	0	""	""	2	1	"5459269"	NA
"676006"	676006	"N-(2-methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	"COCCN(C1CCC(=O)c2[nH]c3ccccc3c12)C(=O)c4ccccc4"	0	""	""	2	1	"385077"	NA
"676007"	676007	"N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide"	"COC(CN(C1CCC2(SCCS2)c3[nH]c4ccccc4c13)C(=O)C)OC"	0	""	""	1	1	"385078"	NA
"676008"	676008	"N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide"	"COC(CN(C1CCC2(SCCS2)c3[nH]c4ccccc4c13)C(=O)c5ccccc5)OC"	0	""	""	1	1	"385079"	NA
"676028"	676028	"Chromeno[2,3-f]quinolin-7-one"	"O=C1c2ccccc2Oc3c1ccc4ncccc34"	0	""	""	1	1	"385093"	NA
"676029"	676029	"12-Methylchromeno[2,3-g]quinolin-11-one"	"Cc1c2C(=O)c3ccccc3Oc2cc4cccnc14"	0	""	""	1	1	"385094"	NA
"676032"	676032	"Pyrimido[5,4-g]pteridine-2,4,6,8(1H,3H,7H,9H)-tetrone, 1,9-bis(methoxymethyl)-3,7-dimethyl-, 5-oxide"	"COCN1C(=O)N(C)C(=O)c2c1nc3N(COC)C(=O)N(C)C(=O)c3[n+]2[O-]"	0	""	""	1	1	"385097"	NA
"676033"	676033	"6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one"	"ClC1=C(Br)C(=O)Nc2nccn12"	0	""	""	1	1	"385098"	NA
"676143"	676143	""	"CN(\N=C/c1ccc2ccccc2c1)C3=NCCN3"	0	NA	NA	1	1	"516242"	NA
"676145"	676145	""	"CN(\N=C/c1ccc2ccccc2c1)C3=NCCCCN3"	0	NA	NA	1	1	"516244"	NA
"676146"	676146	""	"C1CNC(=N\N=C\c2ccc3ccccc3c2)N1"	0	NA	NA	1	1	"516245"	NA
"676179"	676179	"6-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione"	"COc1cc(CCNC2=CC(=O)c3nc[nH]c3C2=O)ccc1O"	0	""	""	1	1	"385175"	NA
"676180"	676180	"2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	"O=C1C=C(Nc2ncccc12)c3cccc4ccccc34"	0	""	""	2	2	"385176"	NA
"676181"	676181	"2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3cccc4ccccc34"	0	""	""	2	2	"385177"	NA
"676183"	676183	"2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccc4ccccc34"	0	""	""	2	2	"5468780"	NA
"676184"	676184	"2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc4ccccc34"	0	""	""	2	2	"5468781"	NA
"676185"	676185	"2-m-Tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	1	1	"385181"	NA
"676186"	676186	"5-Methyl-2-(3-methylphenyl)-1,8-naphthyridin-4-ol"	"Cc1cccc(c1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	2	2	"385182"	NA
"676187"	676187	"6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	2	2	"385183"	NA
"676188"	676188	"7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3ccc(C)nc3N2"	0	""	""	2	2	"5468782"	NA
"676189"	676189	"2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cccc(c1)C2=CC(=O)c3c(C)cc(C)nc3N2"	0	""	""	2	2	"5468783"	NA
"676190"	676190	"2-(3-fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3cccc(F)c3"	0	""	""	2	2	"385186"	NA
"676192"	676192	"2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc(F)c3"	0	""	""	2	2	"5468785"	NA
"676193"	676193	"2-(2-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol"	"COc1ccccc1C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	1	1	"385189"	NA
"676194"	676194	"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glyci..."	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6cc15)[C@](CC)(OC(=O)CN)C(=O)OC4"	0	NA	NA	2	2	"440812187"	NA
"676312"	676312	"ZWYAOVQOEZSEGI-UHFFFAOYSA-N"	"Nc1ncc(Br)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	"385198"	NA
"676313"	676313	"(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol"	"Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	"385199"	NA
"676314"	676314	"2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile"	"Nc1ncc(C#N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	"385200"	NA
"676315"	676315	"(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate"	"CC(=O)OCC1(CNc2nc(N)ncc2C#N)CC(CCc3ccccc3)C1"	0	""	""	1	1	"385201"	NA
"676316"	676316	"cyclobutanemethanol, 1-[[(2,5-diamino-6-pyrimidinyl)amin..."	"Nc1cnc(N)nc1NCC2(CO)CC(CCc3ccccc3)C2"	0	NA	NA	2	2	"516304"	NA
"676317"	676317	"2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"Nc1ncc(C=O)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	"385204"	NA
"676318"	676318	"[1-[[[2-Amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol"	"Nc1ncc(\C=N\O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	1	1	"9571514"	NA
"676323"	676323	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde"	"CC(C)(CO)CNc1nc(N)nc(Cl)c1C=O"	0	""	""	1	1	"385210"	NA
"676324"	676324	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime"	"CC(C)(CO)CNc1nc(N)nc(Cl)c1\C=N\O"	0	""	""	1	1	"9571515"	NA
"676331"	676331	"6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCC2CC(=C)C2)n1"	0	""	""	1	1	"385218"	NA
"676334"	676334	"1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol"	"Nc1nc(Cl)c(Cl)c(NCC2(O)CCC2)n1"	0	""	""	1	1	"385221"	NA
"676340"	676340	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(C2)OCc3ccccc3)n1"	0	""	""	1	1	"385227"	NA
"676343"	676343	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol"	"CC(C)C1CC(CO)(CNc2cc(Cl)nc(N)n2)C1"	0	""	""	1	1	"385230"	NA
"676344"	676344	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1"	0	""	""	2	2	"385231"	NA
"676345"	676345	"cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)..."	"Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	"385232"	NA
"676346"	676346	"cyclobutanemethanol, 1-[[(2-amino-4-chloro-6-pyrimidinyl..."	"Nc1nc(Cl)cc(NCC2(CO)CC(CCCc3ccccc3)C2)n1"	0	""	""	2	2	"385233"	NA
"676347"	676347	"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol"	"CC(O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc3ccccc3)C1"	0	""	""	1	1	"385234"	NA
"676348"	676348	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(C2)c3ccccc3)n1"	0	""	""	1	1	"385235"	NA
"676353"	676353	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CCC(C2)OCc3ccccc3)n1"	0	""	""	1	1	"385240"	NA
"676356"	676356	"(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol"	"Nc1nc(Cl)cc(NCCC2(CO)CCC2)n1"	0	""	""	1	1	"385243"	NA
"676360"	676360	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(C2)OCc3ccccc3)n1"	0	""	""	1	1	"385247"	NA
"676362"	676362	"cyclobutanemethanol, 1-[[(2,5-diamino-6-chloro- 4-pyrimi..."	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(Cc3ccccc3)C2)n1"	0	NA	NA	2	2	"516350"	NA
"676363"	676363	"cyclobutanemethanol, 1-[[(2,5-diamino-4-chloro-6-pyrimid..."	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	2	2	"516351"	NA
"676364"	676364	"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCCC2)n1"	0	""	""	1	1	"385253"	NA
"676365"	676365	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCC(C2)OCc3ccccc3)n1"	0	""	""	1	1	"385254"	NA
"676366"	676366	"2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"Nc1nc(Cl)c(C=O)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	"385255"	NA
"676367"	676367	"2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"COC1(CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1)OC"	0	""	""	1	1	"385256"	NA
"676368"	676368	"5-pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[[1-(hy..."	"CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1"	0	""	""	2	2	"385257"	NA
"676369"	676369	"5-pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[1-(hyd..."	"Nc1nc(Cl)c(C=O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	"385258"	NA
"676371"	676371	"[2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidin-5-yl]methanol"	"Nc1nc(Cl)c(CO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	1	1	"385260"	NA
"676372"	676372	""	"Nc1nc(Cl)c(\C=N/O)c(NCC2(CO)CCC2)n1"	0	NA	NA	1	1	"516360"	NA
"676373"	676373	""	"Nc1nc(Cl)c(\C=N/O)c(NCC2(CO)CC(=O)C2)n1"	0	NA	NA	1	1	"516361"	NA
"676375"	676375	"5-pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[1-(hyd..."	"CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2\C=N/O)C1"	0	NA	NA	2	2	"516363"	NA
"676393"	676393	"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol"	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CC3)n1"	0	""	""	1	1	"385282"	NA
"676395"	676395	"cyclobutanemethanol, 1-[[(2-amino-4-chloro-5-[(4-chlorop..."	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	2	"516383"	NA
"676406"	676406	"1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-4-diethoxyphosphorylbutan-2-ol"	"CCOP(=O)(CCC(O)CNc1nc(N)nc(Cl)c1N=Nc2ccc(Cl)cc2)OCC"	0	""	""	1	1	"385294"	NA
"676423"	676423	"[6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate"	"CCCCCNC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	1	1	"385307"	NA
"676424"	676424	"2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6(3h,7h)-dione"	"COc1c2N=C(CCl)N(C)C(=O)c2c(OC)c3C(=O)N(C)C(=Nc13)CCl"	0	""	""	1	1	"385308"	NA
"676425"	676425	"(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	"CC(=O)NC1=C(C)C(=O)c2c(nc3[C@@H](CCn23)OC(=O)C)C1=O"	0	""	""	2	2	"385309"	NA
"676426"	676426	"naphthalene-2-methanamine, n,n'-(1,6-hexanediyl)bis[6-me..."	"COc1ccc2cc(CNCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	2	2	"385310"	NA
"676427"	676427	"N,N'-bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine"	"COc1ccc2cc(CNCCCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	3	2	"385312"	NA
"676428"	676428	"N,N'-bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine"	"COc1ccc2cc(CNCCCCCCCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	2	1	"385313"	NA
"676429"	676429	"N-[(6-methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride"	"COc1ccc2cc(CNCCCN3CCN(CCCNCc4ccc5cc(OC)ccc5c4)CC3)ccc2c1"	0	""	""	2	1	"385314"	NA
"676437"	676437	"2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one"	"Clc1ccccc1N2\N=C(/C=C\c3ccccc3C2=O)\c4ccccc4"	0	""	""	1	1	"9571516"	NA
"676439"	676439	"Tert-butyl-[[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-(3-methyl-2-phenylsulfanylimidazol-4-yl)methoxy]-dimethylsilane"	"COCOc1c(OC)c(OC)ccc1C(O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C"	0	""	""	1	1	"385322"	NA
"676441"	676441	"6,8-bis(p-dimethylaminobenzyl)-1,4-dihydroxy-benzocycloh..."	"CN(C)c1ccc(CC2=Cc3c(O)ccc(O)c3C=C(Cc4ccc(cc4)N(C)C)C2=O)cc1"	0	""	""	2	2	"5466111"	"156306842"
"676443"	676443	"7-anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile"	"Nc1nn2c(Nc3ccccc3)c(C#N)c(N)nc2c1N=Nc4ccccc4"	0	""	""	1	1	"385326"	NA
"676447"	676447	""	"CCOC(=O)c1[nH]c2cccc3C(=O)[C@H](CCc1c23)NC(=O)C(F)(F)F"	0	NA	NA	1	1	"516430"	NA
"676454"	676454	"2-Aza-DL-tyrosine"	"NC(Cc1ccc(O)cn1)C(=O)O"	0	""	""	1	1	"122047"	NA
"676460"	676460	"Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate"	"FC(F)(F)C(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc3ccccc3"	0	""	""	1	1	"385342"	NA
"676466"	676466	"4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline"	"COc1ccc(N\C=C\C=N\c2ccc(OC)cc2)cc1"	0	""	""	2	1	"5907478"	NA
"676469"	676469	"4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline"	"Fc1ccc(N\C=C\C=N\c2ccc(F)cc2)cc1"	0	""	""	2	2	"5933697"	NA
"676473"	676473	"5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine"	"Clc1ccc(N\C=C\C=N\c2ccc(Cl)cn2)nc1"	0	""	""	2	2	"9556220"	NA
"676495"	676495	""	NA	0	NA	NA	2	2	"516467"	NA
"676496"	676496	"tp38-279"	NA	0	NA	NA	2	2	"516468"	NA
"676497"	676497	"tp4ek"	NA	0	NA	NA	2	2	"516469"	NA
"676498"	676498	"tp4ek-k6"	NA	0	NA	NA	2	2	"516470"	NA
"676515"	676515	"1-[(t-butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)..."	"CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2ccc(O)cc12"	0	""	""	1	1	"147453"	NA
"676516"	676516	"1-[(t-butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indo..."	"CC(C)(C)OC(=O)N1CC(CCl)c2ccc(O)cc12"	0	""	""	1	1	"385366"	NA
"676522"	676522	"10h-phenothiazine, 1,3,4-trifluoro-2-nitro-"	"[O-][N+](=O)c1c(F)c(F)c2Sc3ccccc3Nc2c1F"	0	""	""	2	2	"385372"	NA
"676527"	676527	"1',1'-dichloro-1,2-ethano-o-carborane"	"ClC1(Cl)C[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]9%15%16[BH]26%10[BH]3%15%17[BH]%12%16%18[BH]%13%19%20[BH]7%11%14[BH]48%19[C]15%17%18%20"	0	""	""	1	1	"5466115"	NA
"676528"	676528	"1,2-dichloromethyl-o-carborane"	"ClC[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(CCl)[BH]3%14%17[BH]47%10%15"	0	""	""	1	1	"5466116"	NA
"676529"	676529	"1-bromo-2-bromomethyl-o-carborane"	"BrC[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(Br)[BH]3%14%17[BH]47%10%15"	0	""	""	2	1	"5466117"	NA
"676531"	676531	"1-methyl-2-p-carboxyphenoxymethyl-o-carborane"	"C[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]159[BH]2%14%16[BH]%11%15%17[BH]%12%18%19[BH]6%10%13[BH]37%18[C]4%16%17%19COc%20ccc(cc%20)C(=O)O"	0	""	""	1	1	"5466119"	NA
"676532"	676532	"\"ether-20\""	"OC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(COC[C]%20%21%22%23[BH]%24%25%26[BH]%27%28%29[BH]%30%31%32[BH]%27%33%34[BH]%20%24%28[BH]%21%33%35[BH]%30%34%36[BH]%31%37%38[BH]%25%29%32[BH]%22%26%37[C]%23%35%36%38C(=O)O)[BH]3%14%17[BH]47%10%15"	0	""	""	1	1	"5466120"	NA
"676534"	676534	"4-chloro-5,7-dinitro-2-(2,4,6-trinitrophenyl)quinazoline..."	"[O-][N+](=O)c1cc(c(c2nc(Cl)c3c(cc(cc3[n+]2[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"496006"	NA
"676536"	676536	"2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole"	"Nc1c(cc(c(c2nnc(s2)c3c(cc(c(N)c3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"385374"	NA
"676553"	676553	"N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide"	"CNc1ccc(cc1)S(=O)Nc2ccc(OC)cc2"	0	""	""	1	1	"385379"	NA
"676555"	676555	"4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide"	"COc1ccc(NS(=O)c2ccc(OC)cc2)cc1"	0	""	""	1	1	"385381"	NA
"676558"	676558	"N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide"	"COc1ccc(NS(=O)c2c(C)cc(C)cc2C)cc1"	0	""	""	1	1	"385384"	NA
"676560"	676560	"N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide"	"COc1ccc(NS(=O)CCCc2ccccc2)cc1"	0	""	""	1	1	"385386"	NA
"676563"	676563	"ABBYNMLDUKOKRO-UHFFFAOYSA-N"	"COc1ccc(NS(=O)c2ccc(Cl)cc2)cc1"	0	""	""	1	1	"385389"	NA
"676564"	676564	"4-(Dimethylamino)-N-phenylbenzenesulfinamide"	"CN(C)c1ccc(cc1)S(=O)Nc2ccccc2"	0	""	""	1	1	"385390"	NA
"676565"	676565	"2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide"	"COc1ccc(NS(=O)c2ccccc2OC)cc1"	0	""	""	1	1	"385391"	NA
"676566"	676566	"N,2-Diphenylethanesulfinamide"	"O=S(CCc1ccccc1)Nc2ccccc2"	0	""	""	1	1	"385392"	NA
"676568"	676568	"N-(4-Methoxyphenyl)-2-phenylethanesulfinamide"	"COc1ccc(NS(=O)CCc2ccccc2)cc1"	0	""	""	1	1	"385394"	NA
"676569"	676569	"N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide"	"COc1ccc(NS(=O)c2cccc(C)c2)cc1"	0	""	""	1	1	"385395"	NA
"676570"	676570	"N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide"	"COc1ccc(NS(=O)c2ccc(cc2)c3ccccc3)cc1"	0	""	""	1	1	"385396"	NA
"676572"	676572	"2-Phenoxy-N-phenylbenzenesulfinamide"	"O=S(Nc1ccccc1)c2ccccc2Oc3ccccc3"	0	""	""	1	1	"385398"	NA
"676578"	676578	""	"COC(=O)[C@@H]1C[C@@]2(Br)[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	"516513"	NA
"676581"	676581	""	"COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	"516516"	NA
"676591"	676591	"[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(C(=O)CC(C)(C)C3)C(=C(C#N)C2=S)c4ccc(Cl)cc4"	0	""	""	2	2	"385412"	NA
"676597"	676597	"4-(Furan-2-yl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"OCC1OC(C(O)C(O)C1O)N2C(=C(C#N)C(C=C2c3ccccc3)c4occc4)S"	0	""	""	1	1	"385417"	NA
"676599"	676599	"4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"OCC1OC(C(O)C(O)C1O)N2C(=C(C#N)C(C=C2c3ccccc3)c4ccccc4)S"	0	""	""	1	1	"385419"	NA
"676600"	676600	"[3,4,5-Triacetyloxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4ccccc4)S"	0	""	""	2	2	"385420"	NA
"676603"	676603	"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(C(=C2S)C#N)c3ccc(Cl)cc3)C(=O)C)C"	0	""	""	1	1	"385423"	NA
"676607"	676607	"5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"COc1ccc(cc1)C2C(=C(S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)C)c4ccccc4)C#N"	0	""	""	1	1	"385427"	NA
"676613"	676613	"[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCCCC3)C=C(C#N)C2=S"	0	""	""	1	1	"385433"	NA
"676676"	676676	"ARQ monoacetate"	"CC(=O)OC1=C(C(=O)C(=C(C1=O)c2cn(c3ccccc23)C(C)(C)C=C)O)c4cn(c5ccccc45)C(C)(C)C=C"	0	""	""	1	1	"385441"	NA
"676693"	676693	"8h-thieno[2,3-b]pyrrolizin-8-one, 3-(4-methoxyphenyl)- (..."	"COc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	3	2	"385455"	"156274190"
"676694"	676694	"3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine"	"C1CCN(C1)C2c3cccn3c4c(csc24)c5ccccc5"	0	""	""	1	1	"385456"	NA
"676705"	676705	"(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester"	"COC(=O)[C@@H]1CN(C(=O)C)C(=O)N1"	0	""	""	1	1	"385474"	NA
"676735"	676735	"Carbanide;palladium;1,10-phenanthroline"	"[CH3-][Pd+2]1([CH3-])[n+]2cccc3ccc4ccc[n+]1c4c23"	0	""	""	1	1	"438840"	NA
"676742"	676742	"N-[diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline"	"CCOP(=O)(OCC)C(Nc1cccc(c1)[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	"385493"	NA
"676748"	676748	"2-diethoxyphosphoryl-N-methyl-butan-2-amine"	"CCOP(=O)(OCC)C(C)(CC)NC"	0	""	""	1	1	"385499"	NA
"676761"	676761	""	"CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)\C(=N\C1=NC(N=C(O1)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)\N"	0	NA	NA	1	1	"516629"	NA
"676767"	676767	"1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone"	"CCCCCC1=Cc2cc3CCCC4(C(=O)c5c(O)c6C(=O)C=C(OC)C(=O)c6c(O)c5C4=O)c3c(O)c2C(=O)N1"	0	""	""	1	1	"135489796"	NA
"676769"	676769	"1',3',9-trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone"	"CCCCCC1=Cc2cc3CCC4(C(=O)c5c(O)c6C(=O)C=C(OC)C(=O)c6c(O)c5C4=O)c3c(O)c2C(=O)N1"	0	""	""	1	1	"135489797"	NA
"676770"	676770	"(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	""	""	1	1	"385519"	NA
"676772"	676772	"olean-12-en-28-oic acid, 3-.beta.-[2-o-(.beta.-d-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(O)C%10O"	0	""	""	2	2	"385521"	NA
"676773"	676773	"olean-12-en-28-oic acid, 3-.beta.-[2-o-(.beta.-d-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O"	0	NA	NA	2	2	"516638"	NA
"676774"	676774	"olean-12-en-28-oic acid, 3-.beta.-[2-o-(.beta.-d-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O"	0	NA	NA	2	2	"516639"	NA
"676775"	676775	"olean-12-en-28-oic acid, 3-.beta.-[2-o-(.beta.-d-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	""	""	2	2	"385523"	NA
"676776"	676776	"olean-12-en-28-oic acid, 3-.beta.-[3-o-(.beta.-l-arabino..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(OC9OCC(O)C(O)C9O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	NA	NA	2	2	"516641"	NA
"676777"	676777	"olean-12-en-28-oic acid, 3-.beta.-[3-o-(.beta.-l-arabino..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(OC%11OCC(O)C(O)C%11O)C8O)C2(C)C)C(O)C(OC%12OCC(O)C(O)C%12O)C1O"	0	NA	NA	2	2	"516642"	NA
"676778"	676778	""	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(OC9OCC(O)C(O)C9O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	NA	NA	1	1	"516643"	NA
"676779"	676779	"olean-12-en-28-oic acid, 3-.beta.-[3-o-(.beta.-l-arabino..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(OC%11OCC(O)C(O)C%11O)C8O)C2(C)C)C(O)C(OC%12OCC(O)C(O)C%12O)C1O"	0	NA	NA	2	2	"516644"	NA
"676783"	676783	""	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	1	1	"516648"	NA
"676788"	676788	"olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-d-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	2	2	"516653"	NA
"676790"	676790	"olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-d-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	""	""	2	2	"385534"	NA
"676791"	676791	""	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)C[C@H]4O)C(O)C(O)C1OC9OCC(O)C(O)C9O"	0	NA	NA	1	1	"516656"	NA
"676792"	676792	"olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-d-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	2	2	"516657"	NA
"676794"	676794	"olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-d-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(OC%10OCC(O)(CO)C%10O)C8O)C2(C)C)C(O)C(O)C1O"	0	""	""	2	1	"385536"	NA
"676807"	676807	"anti-human fas, monoclonal"	NA	0	NA	NA	1	1	"516663"	NA
"676810"	676810	"spiro[18-norandrostane-17,2'(3'h)-furan]-3,7-diol, 3-o-a..."	"COC(C)(C)[C@@H](O)[C@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@@H]2CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C)O1"	0	""	""	2	1	"6712364"	NA
"676812"	676812	"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"C[C@@H](C[C@@H](O)[C@H](O)C(=C)C)C1CC[C@]2(C)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]4C[C@@H](OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	2	1	"385544"	NA
"676816"	676816	"(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	"C[C@@H](C[C@H]1OC(C)(C)O[C@@H]1C(C)(C)O)[C@H]2CC=C3[C@@]2(C)CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5C[C@@H](O)[C@@]34C"	0	""	""	3	1	"385548"	NA
"676817"	676817	"(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone"	"OCC(O)C(O)C(O)C(O)[C@@H]1C2OC(=O)c3c1c(O)c(O)c(O)c3c4c(O)c(O)c(O)c5c4C(=O)OC2C6OC(=O)c7cc(O)c(O)c(O)c7c8c(O)c(O)c(O)cc8C(=O)OCC6OC(=O)c9cc(O)c(O)c(O)c59"	0	""	""	1	1	"385549"	NA
"676821"	676821	"10-[(19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone"	"OC1COC(=O)c2cc(O)c(O)c(O)c2c3c(O)c(O)c4OC(=O)c5c(c(O)c(O)c6OC(=O)c3c4c56)c7c(O)c(O)c(O)cc7C(=O)OC1C8OC(=O)c9cc(O)c(O)c(O)c9c%10c(O)c(O)c(O)c%11[C@@H](O)C8OC(=O)c%10%11"	0	""	""	1	1	"16133881"	NA
"676825"	676825	"HSDB 8106"	"OC1COC(=O)c2cc(O)c(O)c(O)c2c3c(O)c(O)c4OC(=O)c5c(c(O)c(O)c6OC(=O)c3c4c56)c7c(O)c(O)c(O)cc7C(=O)OC1C8OC(=O)c9cc(O)c(O)c(O)c9c%10c(O)c(O)c(O)cc%10C(=O)OC8C=O"	0	""	""	1	1	"16129719"	NA
"676827"	676827	"[(1'R,3S,3aS,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate"	"O[C@H]1CO[C@@]2(O)[C@H]1OC(=O)C23O[C@]4(O)C(=O)C[C@@]35C6c7c(OC46O)c(O)c(O)cc7C(=O)OC8C(OC(=O)c9cc(O)c(O)c(O)c9)OC%10COC(=O)c%11cc(O)c(O)c(O)c%11c%12c(O)c(O)c(O)cc%12C(=O)OC8C%10OC5=O"	0	""	""	1	1	"385555"	NA
"676830"	676830	"[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7c8c(O)c(O)c(O)cc8C(=O)OC[C@]6(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC9OC(CO)C(O)C(O)C9O"	0	""	""	2	1	"5468818"	NA
"676857"	676857	"1h-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"COC(=O)[C@@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)N(C3=O)c4ccccc4"	0	NA	NA	2	2	"516697"	NA
"676858"	676858	""	"COC(=O)[C@@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)c4ccccc4C3=O"	0	NA	NA	1	1	"516698"	NA
"676859"	676859	"(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate"	"CC(Br)C(=O)N=N1=C2C(=Nc3ccccc13)c4cccc5cccc2c45"	0	""	""	1	1	"9571521"	NA
"676863"	676863	"Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium"	"c1ccc(cc1)C2C(P=PC2=P(c3ccccc3)(c4ccccc4)c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8.c9cc[c-](cc9)[B+3]([c-]%10ccccc%10)([c-]%11ccccc%11)[c-]%12ccccc%12"	0	""	""	3	2	"11979921"	NA
"676864"	676864	"Neuro_000413"	"[Se]=P(c1ccccc1)(c2ccccc2)c3ccc(cc3)C(=P(c4ccccc4)(c5ccccc5)c6ccccc6)c7ccccc7"	0	""	""	4	2	"385573"	NA
"676866"	676866	""	"CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OC\C=C\c6ccccc6)c5OC\C=C\c7ccccc7)C(OC\C=C\c8ccccc8)(OC\C=C\c9ccccc9)C#N)c4OC\C=C\c%10ccccc%10)C(C)(C)C)c3OC\C=C/c%11ccccc%11)C(OC\C=C\c%12ccccc%12)(OC\C=C\c%13ccccc%13)C#N"	0	NA	NA	1	1	"516704"	NA
"676870"	676870	"(2E)-1-(benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one"	"[O-][N+](=O)c1ccc(\C=C/2\N(c3ncccc3C2=O)S(=O)(=O)c4ccccc4)cc1"	0	""	""	1	1	"5468824"	NA
"676871"	676871	"LS-100064"	"NC1=NCC(CN2CCCCC2)O1"	0	""	""	1	1	"385578"	NA
"676882"	676882	"4-tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol"	"CC(C)(C)c1ccc(O)c(c1)C(O)c2ccccn2"	0	""	""	1	1	"385585"	NA
"676883"	676883	"4-tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol"	"CC(C)(C)c1ccc(O)c(c1)C(O)c2cccnc2"	0	""	""	1	1	"385586"	NA
"676889"	676889	"2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol"	"Cc1cc(O)c(cc1O)C(O)c2ccccn2"	0	""	""	1	1	"385592"	NA
"676897"	676897	"2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one"	"CC(C)(C)c1ccc(cc1)C2=Nc3ccc(Cl)cc3C(=O)O2"	0	""	""	1	1	"385600"	NA
"676899"	676899	"2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one"	"COc1cccc2C(=O)OC(=Nc12)c3ccc(cc3)C(C)(C)C"	0	""	""	1	1	"385602"	NA
"676914"	676914	"2-(4-((4-amino-2-methylphenyl)diazenyl)phenylsulfonyl)et..."	"Cc1cc(N)ccc1N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O"	0	NA	NA	2	2	"516739"	NA
"676916"	676916	"1-[m-methyl anilino malonyl]-3-methyl-4-[4'-.beta.-sulph..."	"CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O"	0	""	""	2	2	"385611"	NA
"676917"	676917	"1-[m-anisidic anilino malonyl]-3-methyl-4-[4'-.beta.-sul..."	"COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)C2=O)c1"	0	""	""	1	1	"385612"	NA
"676944"	676944	"J-400634"	"CSc1cc(nc(c1)c2ccccn2)c3ccccn3"	0	""	""	2	2	"385621"	NA
"676961"	676961	""	"CN1CCN(CCCCN2c3ccccc3Sc4cc(ccc24)N=[N+]=[N-])CC1"	0	NA	NA	2	1	"516764"	NA
"676963"	676963	"3-azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)..."	"[N-]=[N+]=Nc1ccc2N(CCCCN3CCN(Cc4ccc(cc4)C(=O)c5ccccc5)CC3)c6ccccc6Sc2c1"	0	""	""	2	2	"5351430"	NA
"676966"	676966	"5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)c2cccs2"	0	""	""	1	1	"385626"	NA
"676967"	676967	"Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate"	"COC(=O)c1cccc(OC)c1C#Cc2c(OC)cccc2OC"	0	""	""	1	1	"385627"	NA
"676974"	676974	"6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine"	"Nc1nc(N)c2cc(cnc2n1)c3ccccc3"	0	""	""	1	1	"385628"	NA
"676982"	676982	"5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid"	"OC(=O)C(Cc1ccccc1)Cc2ccc3CCCc3c2C(=O)O"	0	""	""	1	1	"385635"	NA
"676986"	676986	"2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid"	"Cc1cccc(CC(Cc2c(C)cccc2C(=O)O)C(=O)O)c1"	0	""	""	1	1	"385639"	NA
"676987"	676987	"Methyl 2-[3-methoxy-2-(4-methylbenzyl)-3-oxopropyl]-5-methylbenzoate"	"COC(=O)C(Cc1ccc(C)cc1)Cc2ccc(C)cc2C(=O)OC"	0	""	""	2	2	"385640"	NA
"676988"	676988	"Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate"	"COC(=O)C(Cc1ccccc1C)Cc2ccc(C)cc2C(=O)OC"	0	""	""	1	1	"385641"	NA
"676989"	676989	"Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate"	"COC(=O)C(Cc1cccc(C)c1)Cc2ccc(C)cc2C(=O)OC"	0	""	""	1	1	"385642"	NA
"676996"	676996	"7-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid"	"OC(=O)C(Cc1ccc2CCCCc2c1)Cc3cc4CCCCc4cc3C(=O)O"	0	""	""	1	1	"385650"	NA
"676998"	676998	"6-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylic acid"	"OC(=O)C(Cc1ccc2CCCCc2c1)Cc3ccc4CCCCc4c3C(=O)O"	0	""	""	1	1	"385652"	NA
"676999"	676999	"Methyl 6-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylate"	"COC(=O)C(Cc1ccc2CCCCc2c1)Cc3ccc4CCCCc4c3C(=O)OC"	0	""	""	1	1	"385653"	NA
"677002"	677002	"Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3ccc4CCCc4c3C2"	0	""	""	1	1	"385656"	NA
"677003"	677003	"4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one"	"CC(=O)c1cccc2CC3(Cc4ccc5CCCc5c4C3=O)Cc12"	0	""	""	1	1	"385657"	NA
"677004"	677004	"Spiro[as-indacene-2(1H),2'(1'H)-[s]indacen]-1-one, 4'-acetyl-3,3',5',6,6',7,7',8-octahydro-"	"CC(=O)c1c2CCCc2cc3CC4(Cc5ccc6CCCc6c5C4=O)Cc13"	0	""	""	1	1	"385658"	NA
"677005"	677005	"2,2'-Spirobiindanon"	"O=C1c2ccccc2CC13Cc4ccccc4C3"	0	""	""	1	1	"385659"	NA
"677006"	677006	"spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one"	"O=C1c2ccccc2CC13Cc4ccc5CCCc5c4C3"	0	""	""	1	1	"385660"	NA
"677010"	677010	"Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"COC(=O)C1Cc2cc3CCCc3cc2C1"	0	""	""	1	1	"385664"	NA
"677011"	677011	""	"O\N=C\1/CCc2cc3CCCc3cc12"	0	NA	NA	1	1	"516807"	NA
"677016"	677016	"as-indacene-2-carboxylic acid, 1,2,3,6,7,8-hexahydro- 2-..."	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1=O"	0	""	""	2	2	"385670"	NA
"677017"	677017	"Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate"	"COC(=O)C1(Cc2ccc(C)cc2)Cc3c(C)cccc3C1=O"	0	""	""	1	1	"385671"	NA
"677020"	677020	"benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2h-inde..."	"COC(=O)c1ccc(C)cc1C2CN=NC23Cc4cc(C)ccc4C3=O"	0	""	""	2	2	"385674"	NA
"677026"	677026	"Methyl 2-(6-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4cc(C)ccc4C3=O"	0	""	""	1	1	"385680"	NA
"677028"	677028	"Methyl 4-methyl-2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccc(C)cc1C2CN=NC23Cc4c(C)cccc4C3=O"	0	""	""	2	1	"385682"	NA
"677033"	677033	"Methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4c5CCCc5ccc4C3=O"	0	""	""	1	1	"385687"	NA
"677041"	677041	"Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate"	"COC(=O)c1ccc(C)cc1CC2Cc3ccc(C)cc3C2=O"	0	""	""	1	1	"385695"	NA
"677043"	677043	"Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate"	"COC(=O)c1ccc(C)cc1CC2Cc3cccc(C)c3C2=O"	0	""	""	1	1	"385697"	NA
"677050"	677050	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1O"	0	""	""	1	1	"385704"	NA
"677051"	677051	"methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1"	0	""	""	1	1	"385705"	NA
"677053"	677053	"spiro[s-indacene-2(1h),2'-[2h]indene]-1-ol, 3,5,6,7,1',3..."	"OCc1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3O"	0	""	""	2	2	"385707"	NA
"677055"	677055	"methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1c(C)cccc1\C=C/2\Cc3c(C)cccc3C2=O"	0	""	""	1	1	"6477493"	NA
"677058"	677058	"spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-ylmethanol"	"OCc1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3"	0	""	""	2	2	"385712"	NA
"677065"	677065	"spiro[as-indacene-2(1h),2'(1'h)-s-indacene]- 4'-carboxyl..."	"COC(=O)c1c2CCCc2cc3CC4(Cc5ccc6CCCc6c5C4=O)Cc13"	0	""	""	2	1	"385719"	NA
"677066"	677066	"spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde"	"O=Cc1ccc2CC3(Cc4ccc5CCCc5c4C3)Cc2c1"	0	""	""	2	2	"385720"	NA
"677072"	677072	"methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate"	"COC(=O)c1ccc2CC3(Cc4ccc5CCCc5c4C3)Cc2c1"	0	""	""	1	1	"385725"	NA
"677074"	677074	"6,7'-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4cccc(C)c4C3=O)C(=O)c2c1"	0	""	""	1	1	"385727"	NA
"677076"	677076	"6-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4ccccc4C3=O)C(=O)c2c1"	0	""	""	1	1	"385729"	NA
"677083"	677083	"okadaic acid"	"C[C@@H](CC(O)C1O[C@@H]2CCC3(CCC(O3)\C=C\[C@@H](C)C4CC(=CC5(O[C@H](C[C@](C)(O)C(=O)O)CCC5O)O4)C)OC2[C@H](O)C1=C)C6O[C@@]7(CCCCO7)CCC6C"	0	"Pase"	"Clinical trial"	3	3	"5468826"	"78111178"
"677088"	677088	"il4(38-37)-pe38 toxin"	NA	0	NA	NA	2	2	"516881"	NA
"677089"	677089	"N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	"COc1cc(CNc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"385738"	NA
"677091"	677091	"N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine"	"Cc1nc2ccc(cc2nc1NCc3ccc(Cl)c(Cl)c3)C(F)(F)F"	0	""	""	1	1	"385740"	NA
"677095"	677095	"Ethyl 4-{[3-(thiophen-2-yl)quinoxalin-2-yl]amino}benzoate"	"CCOC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	"385744"	NA
"677167"	677167	"9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine"	"CN1c2ccccc2C(=NNc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc14"	0	""	""	1	1	"385773"	NA
"677169"	677169	"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine"	"NC(=N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"385775"	NA
"677171"	677171	"N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4C(=O)c5ccccc5Nc34)cc2)n1"	0	""	""	1	1	"385777"	NA
"677174"	677174	"N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide"	"NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4c(cccc24)C(=O)Nc5ccc(cc5)S(=O)(=O)N)cc1"	0	""	""	1	1	"385780"	NA
"677175"	677175	"9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc5c(cccc35)C(=O)Nc6ccc(cc6)S(=O)(=O)N)cc2)n1"	0	""	""	1	1	"385781"	NA
"677181"	677181	"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc5c(cccc35)C(=O)Nc6ccc(cc6)S(=O)(=O)NC(=N)N)cc2)n1"	0	""	""	1	1	"385787"	NA
"677184"	677184	"9-[2-[4-(carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4c(cccc24)C(=O)Nc5ccc(cc5)S(=O)(=O)N)cc1"	0	""	""	1	1	"385790"	NA
"677206"	677206	""	"CC1=NN2C(=NC(=O)\C(=C/c3ccccc3)\C2=N)S1"	0	NA	NA	2	2	"516958"	NA
"677208"	677208	"STK018642"	"CC1=NN2C(=NC(=O)\C(=C/c3occc3)\C2=N)S1"	0	""	""	1	1	"5468829"	NA
"677235"	677235	""	"O[C@]12O[C@@]3(C[N+](=O)[O-])C4C5CC(C6C5C3C16)C24"	0	NA	NA	1	1	"516985"	NA
"677236"	677236	"2,6,3,5-ethanediylidenepentaleno[1,6-bc]pyrrole- 2,6a(1h..."	"C(N[C@]12C3C4CC5C6C4C1C6[C@@](NCc7ccccc7)(C35)N2Cc8ccccc8)c9ccccc9"	0	""	""	1	1	"385839"	"174078127"
"677239"	677239	"Dianisylideneacetone"	"COc1ccc(\C=C\C(=O)\C=C\c2ccc(OC)cc2)cc1"	0	""	""	1	1	"715840"	NA
"677240"	677240	"Go-Y103"	"COc1ccc(\C=C\C(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	"1352182"	NA
"677244"	677244	""	"Cc1ccc(cc1)[C@H]2CC(=O)C[C@H](c3ccc(C)cc3)C24C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	"516994"	NA
"677245"	677245	""	"COc1ccc(cc1)[C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C24C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	"516995"	NA
"677249"	677249	""	"OC1[C@H]2[C@H]([C@H](c3ccccc3)C4(Cc5ccccc5C4O)[C@@H]2c6ccccc6)c7ccccc17"	0	NA	NA	2	1	"516999"	NA
"677252"	677252	"2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-"	"Cc1cc(C)cc(NC2=CC(=O)NC(=O)N2)c1"	0	""	""	1	1	"385853"	NA
"677256"	677256	"6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol"	"Cc1ccc(cc1C)N=NC2=CC(=O)NC(=O)N2"	0	""	""	1	1	"385857"	NA
"677257"	677257	"6-[2-(2-naphthyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol"	"O=C1NC(=S)NC(=C1)NNc2ccc3ccccc3c2"	0	""	""	1	1	"3005144"	NA
"677258"	677258	"6-[2-(3-fluorophenyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol"	"Fc1cccc(NNC2=CC(=O)NC(=S)N2)c1"	0	""	""	1	1	"3005145"	NA
"677260"	677260	"2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol"	"O=C1NC(=S)NC(=C1)NNc2ccccc2"	0	""	""	1	1	"3005146"	NA
"677261"	677261	"6-[(E)-(4-bromophenyl)azo]-2-sulfanyl-pyrimidin-4-ol"	"Brc1ccc(cc1)N=NC2=CC(=O)NC(=S)N2"	0	""	""	1	1	"3005147"	NA
"677266"	677266	"N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide"	"CN1C(=O)NC(=CC1=O)NNc2ccc(NC(=O)C)cc2"	0	""	""	1	1	"385867"	NA
"677268"	677268	"6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=CC1=O)NNc2ccc(Br)cc2"	0	""	""	1	1	"385869"	NA
"677269"	677269	"6-(2-Benzylhydrazino)-2,4-pyrimidinediol"	"O=C1NC(=O)C=C(NNCc2ccccc2)N1"	0	""	""	1	1	"385870"	NA
"677271"	677271	"6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=CC1=O)NNc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"385871"	NA
"677272"	677272	"CBMicro_012158"	"CN1C(=O)NC(=CC1=O)NCCc2ccccc2"	0	""	""	1	1	"385872"	NA
"677274"	677274	"Uracil, 3-methyl-6-(phenylhydrazino)-"	"CN1C(=O)NC(=CC1=O)NNc2ccccc2"	0	""	""	1	1	"385874"	NA
"677275"	677275	"1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=O)C=C1NNc2ccccc2"	0	""	""	1	1	"385875"	NA
"677276"	677276	"6-(1-Methylhydrazino)uracil"	"CN(N)C1=CC(=O)NC(=O)N1"	0	""	""	1	1	"385876"	NA
"677277"	677277	"6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol"	"O=C1NC(=CC(=O)N1)NNc2cccc3ccccc23"	0	""	""	1	1	"385877"	NA
"677278"	677278	"6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol"	"Fc1ccccc1NNC2=CC(=O)NC(=O)N2"	0	""	""	1	1	"385878"	NA
"677279"	677279	"6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol"	"Clc1cccc(NNC2=CC(=O)NC(=O)N2)c1"	0	""	""	1	1	"385879"	NA
"677281"	677281	"2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-"	"Cc1ccc(NNC2=CC(=O)NC(=O)N2)cc1Cl"	0	""	""	1	1	"385881"	NA
"677282"	677282	"6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol"	"CS(=O)(=O)c1ccc(NNC2=CC(=O)NC(=O)N2)cc1"	0	""	""	1	1	"385882"	NA
"677296"	677296	"4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one"	"CC1(C)CCCC2CC2CCC(C)(C)C1=O"	0	""	""	1	1	"385895"	NA
"677299"	677299	"7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one"	"CC1(C)CCCCCCC2CC2CCCCCC(C)(C)C1=O"	0	""	""	1	1	"385898"	NA
"677303"	677303	"2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone"	"CC1(C)CCCCCCCCCC(C)(CCCCCCCCCCCCO)C1=O"	0	""	""	1	1	"385902"	NA
"677305"	677305	"2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone"	"CC1(C)CCCCCC(C)(CCCCCCCCCCCO)C1=O"	0	""	""	1	1	"385904"	NA
"677369"	677369	"7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one"	"Fc1ccc2C(=O)C(=COc2c1)SSC3=COc4cc(F)ccc4C3=O"	0	""	""	1	1	"385907"	NA
"677371"	677371	"(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	"OC(=O)Cc1cccc2C(=O)C(Cl)(C(Oc12)c3ccccc3)C(=O)c4ccccc4"	0	""	""	1	1	"385909"	NA
"677372"	677372	"(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	"OC(=O)Cc1cccc2C(=O)C(C(Oc12)c3ccccc3)C(=O)c4ccccc4"	0	""	""	1	1	"385910"	NA
"677374"	677374	"N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide"	"NNC(=O)CC(=O)Nc1cccc(Cl)c1"	0	""	""	1	1	"385912"	NA
"677384"	677384	"N,N'-bis(4-acetamidophenyl)propanediamide"	"CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(NC(=O)C)cc2)cc1"	0	""	""	1	1	"385921"	NA
"677390"	677390	"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide"	"CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N=NC5C(=NN(C(=O)CC(=O)Nc6ccc(C)cc6)C5=O)C"	0	""	""	1	1	"385927"	NA
"677395"	677395	"2-azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalat..."	"CN(C)CCCCN1c2ccccc2Sc3ccc(cc13)N=[N+]=[N-]"	0	NA	NA	2	1	"517084"	NA
"677398"	677398	"10h-phenothiazine, 10-(4-chlorobutyl)-1,3,4-trifluoro- 2..."	"[O-][N+](=O)c1c(F)c(F)c2Sc3ccccc3N(CCCCCl)c2c1F"	0	""	""	2	1	"385935"	NA
"677411"	677411	"Leflunomide"	"Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F"	0	"PK:JAK1,JAK2"	"FDA approved"	1	1	"-1"	"75706126"
"677413"	677413	"N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea"	"[O-][N+](=O)C(F)(CNC(=O)N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	"385941"	NA
"677423"	677423	"Amythiamicin A"	"CNC(=O)CC1NC(=O)c2csc(n2)c3ccc(nc3c4csc(n4)c5csc(n5)C(NC(=O)CNC(=O)c6csc(n6)C(NC(=O)c7nc1sc7C)C(C)C)C(C)C)c8nc(cs8)C9=NC(CO9)C(=O)N%10CCCC%10C(=O)N"	0	""	""	3	2	"198789"	NA
"677576"	677576	"Saponaceolide B"	"CC1(C)O[C@]2(C)CC[C@@]1(O)OC23CCC(CC[C@@H]4CCC(=C)[C@H](C\C=C\5/CCOC5=O)C4(C)C)CO3"	0	""	""	2	2	"5468843"	NA
"677586"	677586	"2-[[(1S,5S,8Z,12S,20S)-13-phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid"	"OC(=O)CO[C@]12CCC[C@@]34O[C@@]13c5ccccc5N([C@H]4C#C\C=C/C#C2)C(=O)Oc6ccccc6"	0	""	""	1	1	"54604782"	NA
"677589"	677589	"[6-(phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4ccc(NC(=O)OCc5ccccc5)cc34"	0	""	""	1	1	"386020"	NA
"677592"	677592	"8-Me-XAA"	"Cc1cccc2Oc3c(CC(=O)O)cccc3C(=O)c12"	0	NA	NA	1	1	"517241"	NA
"677597"	677597	"2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide"	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"386034"	NA
"677598"	677598	"glutamamide, n-acetyl-1-o-(phenylmethyl)-.alpha.-normura..."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"386035"	NA
"677599"	677599	"glutamamide, n-acetyl-1-o-(phenylmethyl)-.alpha.-normura..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	1	"386036"	NA
"677603"	677603	"2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one"	"O=C1C=C(Oc2ccc(Oc3nnnn3c4ccccc4)cc12)c5ccccc5"	0	""	""	3	2	"386037"	NA
"677604"	677604	"2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one"	"O=C1C=C(Oc2cc(Oc3nnnn3c4ccccc4)ccc12)c5ccccc5"	0	""	""	1	1	"386038"	NA
"677608"	677608	"7-[2-[[2-Hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione"	"CN1C(=O)N(C)c2ncn(CCNC(CO)C(O)c3ccc(cc3)[N+](=O)[O-])c2C1=O"	0	""	""	1	1	"386042"	NA
"677610"	677610	"C13H17BrN4O3"	"CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1nc(Br)n2C"	0	""	""	1	1	"386044"	NA
"677612"	677612	"[4-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate"	"CC(=O)OC1=C(OCC=C)C(=O)OC1C2COC(C)(C)O2"	0	""	""	1	1	"386045"	NA
"677617"	677617	"furan-2,3-dione, tetrahydro-4-acetoxy- 4-(1-phenyl-2-pro..."	"CC(=O)O[C@@]1(C(C=C)c2ccccc2)C(OC(=O)C1=O)C3COC(C)(C)O3"	0	NA	NA	3	1	"517262"	NA
"677618"	677618	""	"CC(=O)O[C@@]1(CC=C)C(OC(=O)C1=O)C2COC(C)(C)O2"	0	NA	NA	1	1	"517263"	NA
"677621"	677621	"3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one"	"COc1ncc(\C=C\2/OC(=O)c3ccccc23)c(OC)n1"	0	""	""	1	1	"5468846"	NA
"677624"	677624	""	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C(=C\c2ccc(Cl)cc2)\C\C(=C/c3ccc(Cl)cc3)\C=N\NS(=O)(=O)c4ccc(C)cc4"	0	NA	NA	1	1	"517267"	NA
"677629"	677629	"furan-2-carboxamide, 3-(4-chlorophenyl)-n-cyclohexyl- 5-..."	"COc1oc(C(=O)NC2CCCCC2)c(c3ccc(Cl)cc3)c1S(=O)(=O)c4ccccc4"	0	""	""	2	2	"386060"	NA
"677630"	677630	"1-(3,4,5-Trimethoxybenzyl)isothiosemicarbazide"	"COc1cc(CNNC(=N)S)cc(OC)c1OC"	0	""	""	1	1	"3005151"	NA
"677631"	677631	"2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole"	"CCOc1c(OC)cc(CNNc2nccs2)cc1OC"	0	""	""	1	1	"386062"	NA
"677634"	677634	"2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole"	"COc1ccc(OC)c(c1)c2cn3c4ccccc4sc3n2"	0	""	""	1	1	"386067"	NA
"677640"	677640	"2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3cc4C(=O)C=C(Oc4cc3O2)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	"386069"	NA
"677646"	677646	"4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-"	"CC(C)C1N(CCS(=O)c2ccccc2)C(=S)N(C1=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	2	1	"386073"	NA
"677666"	677666	""	"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5"	0	NA	NA	1	1	"517293"	NA
"677670"	677670	""	"O=C1CC(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)N1"	0	NA	NA	1	1	"517297"	NA
"677671"	677671	""	"CC(C)(C)OC(=O)C1C(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)NC1=O"	0	NA	NA	1	1	"517298"	NA
"677672"	677672	""	"O=C1CC(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)N1"	0	NA	NA	1	1	"517299"	NA
"677674"	677674	"Tert-butyl 2,6-dioxo-4-[2,3,4-tris(benzyloxy)butyl]piperidine-3-carboxylate"	"CC(C)(C)OC(=O)C1C(CC(OCc2ccccc2)C(COCc3ccccc3)OCc4ccccc4)CC(=O)NC1=O"	0	""	""	1	1	"386084"	NA
"677695"	677695	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, i..."	"CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	2	2	"386093"	NA
"677696"	677696	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]- te..."	"CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	3	3	"386094"	NA
"677697"	677697	"7h-pyrrolo[2,3-d]pyrimidine, 5,6-dimethyl- 2,4-bis(methy..."	"Cc1c(C)n(c2ccccc2)c3nc(nc(c13)S(=O)C)S(=O)C"	0	""	""	2	2	"386095"	NA
"677733"	677733	"7,8-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1cc2C(=O)c3cccnc3C(=O)c2cc1C"	0	""	""	1	1	"386101"	NA
"677735"	677735	"2-Methylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3ccccc3C(=O)c2n1"	0	""	""	2	2	"386103"	NA
"677768"	677768	""	"CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CO)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@H]5C[C@]145"	0	NA	NA	1	1	"517360"	NA
"677771"	677771	"[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate"	"CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)COC(=O)C)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@H]5C[C@]145"	0	""	""	1	1	"386139"	NA
"677776"	677776	""	"Cc1ccc(cc1)C2=NNC(=O)N2\N=C/c3ccccc3"	0	NA	NA	3	1	"517368"	NA
"677784"	677784	""	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccccc2"	0	NA	NA	1	1	"517376"	NA
"677793"	677793	"(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride"	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccc(F)cc2"	0	""	""	1	1	"6519110"	NA
"677797"	677797	"Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate"	"COC(=O)c1cccc(C)c1C2CN=NC23Cc4c(C)c(C)ccc4C3=O"	0	""	""	1	1	"386175"	NA
"677799"	677799	"Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate"	"COC(=O)c1c(C)cccc1C2CN=NC23Cc4ccc(C)c(C)c4C3=O"	0	""	""	1	1	"386177"	NA
"677803"	677803	"Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4cc(C)cc(C)c4C3=O"	0	""	""	1	1	"386181"	NA
"677811"	677811	"Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4c(C)c5CCCc5c(C)c4C3=O"	0	""	""	1	1	"386189"	NA
"677813"	677813	"Methyl 2-methyl-6-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1c(C)cccc1C2CN=NC23Cc4ccccc4C3=O"	0	""	""	2	1	"386191"	NA
"677815"	677815	"benzoic acid, 2-[(2,3-dihydro-4-methyl-1-oxo- 1h-inden-2..."	"COC(=O)c1ccc(C)cc1CC2Cc3c(C)cccc3C2=O"	0	""	""	2	2	"386193"	NA
"677907"	677907	"ethanethioic acid, 2,2'-(1,2,4-trithiolan- 3,5-diylidene..."	"CSC(=O)\C=C\1/SS\C(=C/C(=O)SC)\S1"	0	""	""	2	1	"5468853"	NA
"677921"	677921	"1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine"	"CCN1C(=CC(C=C1c2ccccc2)(c3ccccc3)C(Cl)(Cl)Cl)c4ccccc4"	0	""	""	1	1	"386205"	NA
"677923"	677923	"2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine"	"BrCC(Br)(c1ccccc1)c2ccccc2c3cc(cc(n3)c4ccccc4)c5ccccc5"	0	""	""	2	2	"386207"	NA
"677924"	677924	"benzo[a]quinolizinium, 7-bromo-6,7-dihydro- 2,4,7-triphe..."	"BrC1(C[n+]2c(cc(cc2c3ccccc13)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	2	2	"386208"	NA
"677925"	677925	"2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine"	"CCOC1=C(N2CCCCC2O1)c3ccccc3"	0	""	""	2	2	"386210"	NA
"677935"	677935	"LS-11322"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccc(C)cc2"	0	""	""	2	1	"5468858"	NA
"677936"	677936	"acetic acid, 2-[4-bromo-5-(4-bromophenyl)-3-oxo- 2-furan..."	"COC(=O)\C=C/1\OC(=C(Br)C1=O)c2ccc(Br)cc2"	0	""	""	2	1	"5468859"	NA
"677937"	677937	"LS-11306"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccc(OC)cc2"	0	""	""	2	1	"5468860"	NA
"677938"	677938	"methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccccc2"	0	""	""	2	1	"5468861"	NA
"677939"	677939	"diindolo[2,3-a:3,2-h]quinolizine"	"c1ccc2c(c1)nc3c2ccn4ccc5c6ccccc6[nH]c5c34"	0	""	""	2	2	"386223"	NA
"677941"	677941	"3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene"	"c1ccc2c(c1)ccn3ccc4c5ccccc5nc4c23"	0	""	""	1	1	"386225"	NA
"677942"	677942	"l-glutamamide, n(2)-[4-[[(2,4-diamino-6-pteridinyl)methy..."	"CCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCC"	0	""	""	2	2	"386226"	NA
"677944"	677944	"5,8-quinolinedione, 6-[[2-(4-hydroxy-3-methoxyphenyl) et..."	"COc1cc(CCNC2=CC(=O)c3ncccc3C2=O)ccc1O"	0	""	""	2	2	"386227"	NA
"677945"	677945	"quinoline-5,8-dione, 6-[(3-hydroxy-3-phenyl-2-propyl)ami..."	"CC(NC1=CC(=O)c2ncccc2C1=O)C(O)c3ccccc3"	0	""	""	2	2	"386228"	NA
"677947"	677947	"5,8-quinolinedione, 6-[[2-(3,4-dihydroxyphenyl)ethyl] am..."	"Oc1ccc(CCNC2=CC(=O)c3ncccc3C2=O)cc1O"	0	""	""	2	2	"386229"	NA
"677948"	677948	"5,8-quinolinedione, 7-[[2-(4-hydroxy-3-methoxyphenyl) et..."	"COc1cc(CCNC2=CC(=O)c3cccnc3C2=O)ccc1O"	0	""	""	2	2	"386230"	NA
"677949"	677949	"quinoline-5,8-dione, 7-[(3-hydroxy-3-phenyl-2-propyl)ami..."	"CC(NC1=CC(=O)c2cccnc2C1=O)C(O)c3ccccc3"	0	""	""	3	2	"386231"	NA
"677950"	677950	"5,8-quinolinedione, 6-[[2-(3,4-dimethoxyphenyl)ethyl] am..."	"COc1ccc(CCNC2=CC(=O)c3ncccc3C2=O)cc1OC"	0	""	""	2	2	"386232"	NA
"677951"	677951	"3.beta.-hydroxy-16.beta.-morpholino-5-androsten-17-one"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C[C@H](N5CCOCC5)C4=O"	0	""	""	1	1	"386233"	NA
"677955"	677955	"16.beta.-morpholino-3.beta.-pyrrolidino-5-androsten-17.b..."	"CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)N6CCOCC6"	0	""	""	1	1	"386237"	NA
"677957"	677957	"16.beta.-piperidino-3.beta.-pyrrolidino-5-androsten-17.b..."	"CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)N6CCCCC6"	0	""	""	1	1	"386239"	NA
"677959"	677959	"16.beta.-n-methylpiperazino-5-androstene-3.beta.,17.beta..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O"	0	""	""	2	1	"386241"	NA
"677960"	677960	"16.beta.-n-methylpiperazino-5-androstene-3.beta.,17.beta..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C"	0	""	""	2	2	"386242"	NA
"677961"	677961	"16.beta.-n-methylpiperazino-3.beta.-pyrrolidino-5-andros..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)N6CCCC6"	0	""	""	1	1	"386243"	NA
"677962"	677962	"16.beta.-n-methylpiperazino-3.beta.-pyrrolidino-5-andros..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6"	0	""	""	1	1	"386244"	NA
"678000"	678000	"Inolene"	"C[C@@H]1CC\C=C(/C)\[C@@H]2CC[C@@](C)(O2)[C@@H]3C[C@@H]4[C@@H](OC(=O)C4=C)[C@H]1O3"	0	""	""	1	1	"5468862"	NA
"678001"	678001	""	"C[C@@H]1CCC[C@@H](C)[C@@H]2O[C@@H](C[C@@H]3[C@H]2OC(=O)C3=C)[C@@]4(C)CC[C@@H]1O4"	0	NA	NA	1	1	"517468"	NA
"678007"	678007	"2-Ethoxy-6-[[2-[[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol"	"CCOc1cccc(\C=N/c2ccccc2SSc3ccccc3\N=C/c4cccc(OCC)c4O)c1O"	0	""	""	1	1	"386264"	NA
"678027"	678027	"Lavendustin A"	"OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O"	0	""	""	1	1	"3894"	"125697929"
"678028"	678028	"1,4-bis-[(3'-n-morpholino)propylamino]anthraquinone"	"O=C1c2ccccc2C(=O)c3c(NCCCN4CCOCC4)ccc(NCCCN5CCOCC5)c13"	0	""	""	1	1	"386271"	NA
"678029"	678029	"4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one"	"O=C(COC1=CC(=O)Oc2ccccc12)c3ccccc3"	0	""	""	1	1	"386272"	NA
"678030"	678030	"(1Z)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine"	"CCN(CC)\C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])\Sc1ccccc1"	0	""	""	1	1	"1550445"	NA
"678031"	678031	""	"[O-][N+](=O)\C(=C/C(=C(\Cl)/SCc1ccccc1)/[N+](=O)[O-])\Cl"	0	NA	NA	1	1	"517484"	NA
"678032"	678032	"1,3-butadiene, 1-bromo-1,2,4-trichloro-3-nitro- 4-[(phen..."	"[O-][N+](=O)\C(=C(\Cl)/SCc1ccccc1)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	2	2	"517485"	NA
"678033"	678033	""	"[O-][N+](=O)C(=C1NCCN1)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	2	1	"517486"	NA
"678034"	678034	"ethanol, 2-[(4-bromo-1,3,4-trichloro-2-nitro- 1,3-butadi..."	"OCCN\C(=C(/C(=C(/Cl)\Br)/Cl)\[N+](=O)[O-])\Cl"	0	NA	NA	2	2	"517487"	NA
"678035"	678035	"1,3-butadiene, 4-bromo-1,1,2-trichloro-3-nitro- 4-[(phen..."	"[O-][N+](=O)\C(=C(\Br)/SCc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	2	2	"517488"	NA
"678040"	678040	"methanone, (tricyclo[3.3.1.1(3,7)]decan-1-yl) [3-(3-nitr..."	"[O-][N+](=O)c1cccc(c1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	3	1	"386283"	NA
"678041"	678041	"1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone"	"[O-][N+](=O)c1ccc(cc1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	"386284"	NA
"678044"	678044	"1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone"	"Oc1ccc(cc1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	3	1	"386287"	NA
"678047"	678047	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	NA	NA	2	2	"517500"	NA
"678048"	678048	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	NA	NA	2	2	"517501"	NA
"678049"	678049	"[3,4,5-Triacetyloxy-6-(1-cyano-2-sulfanylidene-4-thiophen-2-yl-5,6-dihydrobenzo[f]isoquinolin-3-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	""	""	2	2	"386291"	NA
"678054"	678054	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=CC=C2c3ccc(Cl)cc3)C#N"	0	NA	NA	1	1	"517507"	NA
"678056"	678056	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C)C=C(C#N)C2=S)C"	0	NA	NA	1	1	"517509"	NA
"678057"	678057	"pyridine-3-carbonitrile, 6-(4-chlorophenyl)- 1-(.beta.-d..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=CC=C2c3ccc(Cl)cc3)C#N"	0	NA	NA	2	2	"517510"	NA
"678063"	678063	"pyridine-3,5-dicarbonitrile, 6-amino- 1-(.beta.-d-glucop..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(=C(C#N)C2=S)c3ccccc3)N"	0	""	""	2	1	"3005161"	NA
"678084"	678084	""	"CC(=O)OCC1OC(SC2=NC(=O)\C(=C\c3ccccc3)\S2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"517537"	NA
"678088"	678088	""	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C#N)O"	0	NA	NA	1	1	"517541"	NA
"678095"	678095	"meliternix"	"COC1=C(Oc2c(OC)c(OC)cc(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	"386319"	NA
"678096"	678096	"Meliternatin"	"COC1=C(Oc2cc3OCOc3c(OC)c2C1=O)c4ccc5OCOc5c4"	0	""	""	1	1	"386320"	NA
"678098"	678098	"Melisimplexin"	"COC1=C(Oc2cc(OC)c(OC)c(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	"386322"	NA
"678099"	678099	"Melibentin"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	"386323"	NA
"678101"	678101	"5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone"	"COC1=C(Oc2c(O)c(OC)c(OC)c(O)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	"386325"	NA
"678102"	678102	"5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc4OCOc4c3"	0	""	""	2	2	"5466137"	"93655959"
"678106"	678106	"Rhamnazin"	"COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(OC)c3)O"	0	""	""	2	2	"5320945"	NA
"678107"	678107	"Ternatin"	"COC1=C(Oc2c(OC)c(OC)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	NA	NA	1	1	"517560"	NA
"678124"	678124	"1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole"	"COc1nn(Cc2ccccc2F)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	2	2	"386341"	NA
"678125"	678125	"1h-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]- 5-ni..."	"COc1ccccc1Cn2nc(OC)c3cc(ccc23)[N+](=O)[O-]"	0	""	""	2	2	"386342"	NA
"678128"	678128	"1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one"	"[O-][N+](=O)c1ccc2N(Cc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	2	1	"386345"	NA
"678131"	678131	"5H-Naphtho[2,3-c][1]benzazepine-6,13-dione"	"O=C1Nc2ccccc2C(=O)c3cc4ccccc4cc13"	0	""	""	1	1	"386348"	NA
"678143"	678143	"3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one"	"COc1cccc(OC)c1\C=C\2/OC(=O)c3cccc(OC)c23"	0	""	""	2	2	"5468869"	NA
"678144"	678144	"4h-1,3,6,2-dioxazaphosphocinium, 4-hexadecyltetrahydro- ..."	"CCCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@@](=O)(C)O1"	0	NA	NA	2	1	"517587"	NA
"678146"	678146	"hexadecanaminium, 2-hydroxy-n,n-bis(2-hydroxyethyl)- n-m..."	"CCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO"	0	NA	NA	2	2	"517589"	NA
"678156"	678156	"N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide"	"[N-]=[N+]=Nc1ccc2N(CCCCN3CCN(CC3)C(=O)CCNC(=O)Cc4ccc(cc4)C(=O)c5ccccc5)c6ccccc6Sc2c1"	0	""	""	2	1	"386360"	NA
"678251"	678251	"3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin"	"CC(=O)Oc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccccc4"	0	""	""	1	1	"386367"	NA
"678256"	678256	"1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine"	"Clc1ccc(Cl)c(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(Cl)ccc3Cl"	0	""	""	1	1	"386372"	NA
"678257"	678257	"STK094679"	"Clc1cccc(c1)N2CCN(CC2)C(=O)c3cc(Cl)ccc3Cl"	0	""	""	1	1	"386373"	NA
"678258"	678258	"1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine"	"Clc1ccc(Cl)c(c1)C(=O)N2CCN(CC2)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"386374"	NA
"678343"	678343	"(E)-5-(diethylamino)-1-phenylpent-1-en-3-one;hydrochloride"	"CCN(CC)CCC(=O)\C=C\c1ccccc1"	0	""	""	2	1	"6519127"	NA
"678345"	678345	"1s,5s-8-(e)-benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a..."	"CN1CC[C@@]2(C[C@@H]1\C(=C/c3ccccc3)\C(=O)C2)c4cccc(O)c4"	0	""	""	2	1	"45489959"	NA
"678346"	678346	"1r,5r-8-(e)-(3,4-dichlorobenzylidene)-5-(3-hydroxyphenyl..."	"CN1CC[C@]2(C[C@H]1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4cccc(O)c4"	0	""	""	1	1	"45489960"	NA
"678347"	678347	"1s,5s-8-(e)-(3,4-dichlorobenzylidene)-5-(3-hydroxyphenyl..."	"CN1CC[C@@]2(C[C@@H]1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4cccc(O)c4"	0	""	""	1	1	"45489961"	NA
"678353"	678353	"methyl 5-acetamido-4,7,8,9-o-acetyl-3,5-dideoxy-2-s-(2'-..."	"CCCCCC(C)SC1(CC(OC(=O)C)C(NC(=O)C)C(O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)C(=O)OC"	0	NA	NA	1	1	"517627"	NA
"678355"	678355	"L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2"	"CC(NC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])NC(=O)C(N)CCCCN)C(=O)NC(Cc2ccc(cc2)[N+](=O)[O-])C(=O)N"	0	""	""	4	2	"386384"	NA
"678356"	678356	"2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	"Cc1nc(O)nc2nc3cc(Cl)cc(Cl)c3c(NC(C)(CO)CO)c12"	0	""	""	1	1	"386385"	NA
"678357"	678357	"2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	"CCOc1ccc2nc3nc(O)nc(C)c3c(NC(C)(CO)CO)c2c1"	0	""	""	1	1	"386386"	NA
"678359"	678359	"N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide"	"CC1=NC(=O)NC(=C1C(=O)Nc2cccc3cc4ccccc4cc23)NCCNCCO"	0	""	""	2	1	"386388"	NA
"678360"	678360	""	"CCn1c2ccccc2c3cc(NC(=O)c4c(C)nc(O)nc4NCCNCCO)ccc13"	0	NA	NA	1	1	"517634"	NA
"678362"	678362	"methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3cccc(C)c3C2=O"	0	""	""	1	1	"6284987"	NA
"678364"	678364	"methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1ccccc1\C=C\2/Cc3cc(C)cc(C)c3C2=O"	0	""	""	1	1	"6477500"	NA
"678369"	678369	"methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3cc(C)c(C)cc3C2=O"	0	""	""	1	1	"5924840"	NA
"678372"	678372	"2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid"	"Cc1ccc2C\C(=C/c3cccc(C)c3C(=O)O)\C(=O)c2c1C"	0	""	""	2	1	"5888698"	NA
"678383"	678383	"benzoic acid, 2-[(4,6-dimethyl-1-oxo-2-indanylidene) met..."	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3c(C)cc(C)cc3C2=O"	0	""	""	3	2	"6477508"	NA
"678387"	678387	"methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate"	"COC(=O)c1ccccc1\C=C\2/Cc3c(C)c4CCCc4c(C)c3C2=O"	0	""	""	1	1	"6477511"	NA
"678393"	678393	"TimTec1_000115"	"Brc1cccc(c1)C2=NNC(=O)N2"	0	""	""	1	1	"135485485"	NA
"678396"	678396	"5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	"O=C1NN=C(N1)c2ccc3ccccc3c2"	0	""	""	1	1	"135489805"	NA
"678397"	678397	"3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one"	"Cc1ccc(cc1[N+](=O)[O-])C2=NNC(=O)N2"	0	""	""	1	1	"135489806"	NA
"678401"	678401	"glycine, n-[n-[[(4-methoxyphenyl)azo]carbonyl]-l-leucyl]..."	"COc1ccc(cc1)\N=N\C(=O)NC(CC(C)C)C(=O)NCC(=O)O"	0	""	""	4	2	"386431"	NA
"678402"	678402	"l-alanine, n-[n-[[(4-methoxyphenyl)azo]carbonyl]- l-leuc..."	"COc1ccc(cc1)\N=N\C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O"	0	""	""	3	2	"386433"	NA
"678403"	678403	"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O"	0	""	""	1	1	"386435"	NA
"678404"	678404	"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O"	0	""	""	1	1	"386436"	NA
"678410"	678410	"DA-37066"	"Nc1nccc2c(cccc12)[N+](=O)[O-]"	0	""	""	1	1	"386442"	NA
"678412"	678412	"pyrido[3,4-g]isoquinoline, 1,2,3,4,6,7,8,9-octahydro- 4,..."	"Cc1cc(C)c(C2CNCc3cc4C(CNCc4cc23)c5c(C)cc(C)cc5C)c(C)c1"	0	""	""	2	2	"499458"	NA
"678473"	678473	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	2	2	"517687"	NA
"678475"	678475	"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-"	"Cc1ccc(CC2=NNC(=O)N2c3ccccc3)cc1"	0	""	""	1	1	"386446"	NA
"678489"	678489	"2-Methyl-8-(1-naphthyl)quinoline"	"Cc1ccc2cccc(c3cccc4ccccc34)c2n1"	0	""	""	1	1	"386460"	NA
"678490"	678490	"1,2,5-Triphenyl-1H-phosphole 1-oxide"	"O=P1(C(=CC=C1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"386461"	NA
"678491"	678491	"9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene"	"C1=CC2C=CC(C=C1)P2c3ccccc3"	0	""	""	1	1	"386462"	NA
"678492"	678492	"phosphonium, ethyldiphenyl(phenylethynyl)-, iodide"	"CC[P+](C#Cc1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	"517706"	NA
"678501"	678501	"4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one"	"C[Si](C)(C)C1=C(C(Cl)(Cl)C1=O)[Si](C)(C)C"	0	""	""	2	2	"386475"	NA
"678502"	678502	"2-cyclobuten-1-one, 4,4-dichloro-2,3-diphenyl-"	"ClC1(Cl)C(=O)C(=C1c2ccccc2)c3ccccc3"	0	""	""	2	1	"386476"	NA
"678503"	678503	"1-cyclobuten-3-one, 4,4-dichloro-1-pentyl-"	"CCCCCC1=CC(=O)C1(Cl)Cl"	0	""	""	2	1	"386477"	NA
"678514"	678514	"fiau"	"OCC1OC(C(F)C1O)N2C=C(I)C(=O)NC2=O"	0	""	""	1	1	"386483"	"69123984"
"678518"	678518	"protein: lf"	NA	0	NA	NA	1	1	"517731"	NA
"678519"	678519	"protein: ef"	NA	0	NA	NA	1	1	"517732"	NA
"678521"	678521	"protein: lf-ttlc"	NA	0	NA	NA	1	1	"517734"	NA
"678522"	678522	"protein: 33"	NA	0	NA	NA	1	1	"517735"	NA
"678523"	678523	"protein: pa30-14"	NA	0	NA	NA	1	1	"517736"	NA
"678524"	678524	"protein: pahiv1"	NA	0	NA	NA	1	1	"517737"	NA
"678525"	678525	"protein: pahiv4"	NA	0	NA	NA	1	1	"517738"	NA
"678531"	678531	"5-bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide"	"Brc1ccc2[nH]cc([C@H]3CN[C@H](CN3)c4c[nH]c5ccc(Br)cc45)c2c1"	0	""	""	2	1	"54608160"	NA
"678532"	678532	"2'-azido-2'-deoxycytidine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2N=[N+]=[N-]"	0	""	""	2	2	"386488"	"51034685"
"678533"	678533	"2'-azido-2'-deoxyuridine"	"OCC1OC(C(N=[N+]=[N-])C1O)N2C=CC(=O)NC2=O"	0	""	""	1	1	"386489"	"26929657"
"678634"	678634	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, b..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCc3ccccc3)c1"	0	""	""	2	2	"386490"	NA
"678635"	678635	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	"386491"	NA
"678636"	678636	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"O=C(OCc1ccccc1)c2ccc(NCC3=CC(=O)C=CC3=O)cc2"	0	""	""	2	2	"386492"	NA
"678637"	678637	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	"386493"	NA
"678863"	678863	""	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)c5)n(C)c4)cn2C)cn1C"	0	NA	NA	1	1	"517753"	NA
"678865"	678865	"1,5,3,2,4-dioxathiadiphosphepane, 2,4-bis(4-methoxypheny..."	"COc1ccc(cc1)P2(=S)OCCOP(=S)(S2)c3ccc(OC)cc3"	0	""	""	2	2	"386495"	"147819281"
"678866"	678866	"dibenzo[d,f][1,3,2]dioxaphosphepin, 6-(4-methoxyphenyl)-..."	"COc1ccc(cc1)P2(=S)Oc3ccccc3c4ccccc4O2"	0	""	""	2	2	"386496"	NA
"678868"	678868	"Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate"	"COC(=O)C1(Cc2ccc(C)cc2C3=C1C(=O)c4ccccc4C3=O)C(=O)OC"	0	""	""	1	1	"386498"	NA
"678869"	678869	"benz[a]anthracene-6,6-dicarboxylic acid, 5,6,7,12- tetra..."	"COC(=O)C1(Cc2ccc(OC)cc2C3=C1C(=O)c4ccccc4C3=O)C(=O)OC"	0	""	""	2	1	"386499"	NA
"678871"	678871	"3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	"CC(=O)Oc1ccn2nc(C)c(Br)c2c1"	0	""	""	2	1	"386501"	NA
"678873"	678873	"3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	"CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br"	0	""	""	2	1	"386503"	NA
"678879"	678879	"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol"	"Cc1ccc(O)c(c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	"386504"	NA
"678880"	678880	"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-"	"COc1ccc(c(O)c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	"386505"	NA
"678881"	678881	"2-[2-[(Z)-benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)c2cc(nc(\N=C/c3ccccc3)n2)c4ccccc4"	0	""	""	1	1	"135509205"	NA
"678882"	678882	"pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-pheny..."	"COc1ccc(c(O)c1)c2cc(nc(\N=C/c3ccccc3)n2)c4ccccc4"	0	""	""	2	2	"135509206"	NA
"678883"	678883	"pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl..."	"Oc1ccc(Cl)cc1c2cc(nc(\N=C\c3ccccc3)n2)c4ccccc4"	0	""	""	2	2	"135509207"	NA
"678905"	678905	"phenanthridine-4-carboxamide, 6-(4-methoxyphenyl)- n-[2-..."	"COc1ccc(cc1)c2nc3c(cccc3c4ccccc24)C(=O)NCCN(C)C"	0	""	""	2	1	"386509"	NA
"678912"	678912	"4-acridinecarboxamide, n-[2-(dimethylamino)ethyl]- 8-met..."	"COc1cccc2nc3c(cccc3cc12)C(=O)NCCN(C)C"	0	""	""	2	2	"386511"	NA
"678913"	678913	"4-acridinecarboxamide, 1-chloro-n-[2-(dimethylamino) eth..."	"CN(C)CCNC(=O)c1ccc(Cl)c2cc3ccccc3nc12"	0	""	""	2	2	"386513"	NA
"678914"	678914	"4-acridinecarboxamide, n-[2-(dimethylamino)ethyl]- 1-met..."	"COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12"	0	""	""	2	2	"386514"	NA
"678915"	678915	"n-[6-[(2-aminoethyl)amino]hexyl]-4-acridinecarboxamide t..."	"NCCNCCCCCCNC(=O)c1cccc2cc3ccccc3nc12"	0	""	""	2	2	"386515"	"142038902"
"678917"	678917	"1-phenazinecarboxamide, n-[2-(dimethylamino)ethyl]- 6,9-..."	"COc1ccc(OC)c2nc3c(cccc3nc12)C(=O)NCCN(C)C"	0	""	""	2	1	"386517"	NA
"678918"	678918	"1,6-phenazinedicarboxamide, n,n'-bis[2-(dimethylamino) e..."	"CN(C)CCNC(=O)c1cccc2nc3c(cccc3nc12)C(=O)NCCN(C)C"	0	""	""	2	2	"386519"	"103942592"
"678925"	678925	"1-phenazinecarboxamide, n-[2-(dimethylamino)ethyl]- 9-fl..."	"CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12"	0	""	""	2	1	"386521"	NA
"678932"	678932	"1h-benzimidazole-4-carboxamide, n-[2-(dimethylamino)ethy..."	"CN(C)CCNC(=O)c1cccc2[nH]c(nc12)c3ccncc3"	0	""	""	2	2	"386523"	"124341237"
"678957"	678957	"Methyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4-carboxylate"	"COC(=O)c1cn(CCCCO)nn1"	0	""	""	1	1	"386525"	NA
"678966"	678966	"methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate"	"COC(=O)\C=C\SC1=NC(=S)N(\C=C\C(=O)OC)C=C1"	0	""	""	1	1	"54602168"	NA
"678970"	678970	"Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate"	"CCOC(=O)CN1C(=O)N(COCCO)C=C(C)C1=O"	0	""	""	1	1	"386538"	NA
"678979"	678979	"2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	"BrC\C=C\CN1N=CC(=O)NC1=O"	0	""	""	1	1	"5468889"	NA
"678986"	678986	"6-bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	"BrC\C=C\CN1N=C(Br)C(=O)NC1=O"	0	""	""	1	1	"5468896"	NA
"678989"	678989	"uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-, cis-"	"CCOC(=O)\C=C(/N1C=CC(=O)NC1=O)\C(=O)OCC"	0	""	""	2	1	"5468899"	NA
"678990"	678990	"diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)NC1=O)/C(=O)OCC"	0	""	""	2	2	"5468900"	NA
"678991"	678991	"thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)NC1=O)\C(=O)OCC"	0	""	""	2	1	"6374527"	NA
"678993"	678993	"diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=NC1=O)N)/C(=O)OCC"	0	""	""	1	1	"5468902"	NA
"678994"	678994	"adenine, 9-[1,2-bis(ethoxycarbonyl)ethenyl]-, trans-"	"CCOC(=O)\C=C(/C(=O)OCC)\n1cnc2c(N)ncnc12"	0	""	""	2	1	"5468903"	NA
"678996"	678996	"Diethyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate"	"CCOC(=O)C(SCCO)C(N1C=CC(=O)NC1=O)C(=O)OCC"	0	""	""	2	2	"386559"	NA
"678997"	678997	"Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate"	"CCOC(=O)C(SCCO)C(N1C=C(C)C(=O)NC1=O)C(=O)OCC"	0	""	""	2	2	"386560"	NA
"678998"	678998	"Diethyl 2-(6-amino-9h-purin-9-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate"	"CCOC(=O)C(SCCO)C(C(=O)OCC)n1cnc2c(N)ncnc12"	0	""	""	2	2	"386561"	NA
"679001"	679001	"uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-ca..."	"CCOC(=O)CN1C(=O)C=CN(\C(=C\C(=O)OCC)\C(=O)OCC)C1=O"	0	""	""	2	2	"5468904"	NA
"679002"	679002	"uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-ca..."	"CCOC(=O)CN1C(=O)C=CN(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O"	0	""	""	2	2	"5468905"	NA
"679003"	679003	"uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl..."	"CCOC(=O)\C=C(\N1C=CC(=O)N(CC=C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5468906"	NA
"679004"	679004	"diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(CC=C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5468907"	NA
"679005"	679005	"uracil, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=CC(=O)N(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O)\C(=O)OCC"	0	""	""	2	2	"6381423"	NA
"679006"	679006	"thymine, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O)\C(=O)OCC"	0	""	""	2	2	"6382533"	NA
"679017"	679017	"2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	"O=C1C=C(Nc2ncccc12)c3ccc4ccccc4c3"	0	""	""	1	1	"386569"	NA
"679018"	679018	"2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc4ccccc4c3"	0	""	""	1	1	"386570"	NA
"679019"	679019	"2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccc4ccccc4c3"	0	""	""	1	1	"386571"	NA
"679020"	679020	"2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc4ccccc4c3"	0	""	""	1	1	"5468908"	NA
"679021"	679021	"2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3ccc4ccccc4c3"	0	""	""	2	2	"5468909"	NA
"679022"	679022	"2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one"	"Clc1cnc2NC(=CC(=O)c2c1)c3ccc4ccccc4c3"	0	""	""	1	1	"386574"	NA
"679024"	679024	"1,8-naphthyridin-4(1h)-one, 2-(4-fluorophenyl)-5-methyl-"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc(F)cc3"	0	""	""	3	3	"386576"	NA
"679025"	679025	"1,8-naphthyridin-4(1h)-one, 2-(4-fluorophenyl)-6-methyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccc(F)cc3"	0	""	""	2	2	"386577"	NA
"679028"	679028	"6-Chloro-2-(4-fluorophenyl)-1,8-naphthyridin-4(1h)-one"	"Fc1ccc(cc1)C2=CC(=O)c3cc(Cl)cnc3N2"	0	""	""	2	2	"386580"	NA
"679029"	679029	"2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one"	"Clc1ccc(cc1)C2=CC(=O)c3cccnc3N2"	0	""	""	1	1	"386581"	NA
"679030"	679030	"2-(4-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1h)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc(Cl)cc3"	0	""	""	2	2	"386582"	NA
"679033"	679033	"2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3ccc(Cl)cc3"	0	""	""	2	1	"5468913"	NA
"679034"	679034	"1,8-naphthyridin-4(1h)-one, 2-(3-chlorophenyl)-"	"Clc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	2	2	"386586"	NA
"679035"	679035	"1,8-naphthyridin-4(1h)-one, 2-(3-chlorophenyl)-5-methyl-"	"Cc1ccnc2NC(=CC(=O)c12)c3cccc(Cl)c3"	0	""	""	2	2	"386587"	NA
"679036"	679036	"1,8-naphthyridin-4(1h)-one, 2-(3-chlorophenyl)-6-methyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	2	2	"386588"	NA
"679037"	679037	"1,8-naphthyridin-4(1h)-one, 2-(3-chlorophenyl)-7-methyl-"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccc(Cl)c3"	0	""	""	2	2	"5468914"	NA
"679038"	679038	"1,8-naphthyridin-4(1h)-one, 2-(3-chlorophenyl)- 5,7-dime..."	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc(Cl)c3"	0	""	""	2	2	"5468915"	NA
"679042"	679042	"3-(1H-benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1Cc2nc3ccccc3[nH]2"	0	""	""	1	1	"386591"	NA
"679046"	679046	"(3-Iodo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-2-yl)methanone"	"IC1(C(=O)c2ccc3ccccc3c2)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	"386596"	NA
"679047"	679047	"Naphthalen-1-yl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone"	"O=C(C1S(=O)(=O)OCCOS1(=O)=O)c2cccc3ccccc23"	0	""	""	1	1	"386597"	NA
"679069"	679069	"1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	"CN1CCN(CC1)C2=NNC(=O)c3c2nnn3Cc4ccccc4"	0	""	""	1	1	"386615"	NA
"679075"	679075	"7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol"	"[O-][N+](=O)c1ccc(cc1)n2nnc3C(=NNC(=O)c23)Nc4ccc(Cl)cc4"	0	""	""	1	1	"3784604"	NA
"679088"	679088	"1-phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate"	"CC(OC(=O)NCn1cc(nn1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"386634"	NA
"679092"	679092	"5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione"	"S=C1Cc2cc3ccccc3nc2c4ccccc4N1"	0	""	""	3	2	"3005168"	NA
"679095"	679095	""	"O=C(N\C(=C\C#N)\N1CCCC1)Nc2ccccc2"	0	NA	NA	3	1	"517912"	NA
"679108"	679108	"phenol, 4,4'-(5,5'-biisoxazole-3,3'-diyl)bis-"	"Oc1ccc(cc1)c2cc(on2)c3onc(c3)c4ccc(O)cc4"	0	""	""	2	2	"386651"	NA
"679194"	679194	"5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene"	"COc1c2Cc3cccc(Cc4cc(cc(Cc5cccc(Cc6cc(cc(Cc7cccc(Cc1cc(c2)C(C)(C)C)c7OCc8cccc(c8)[N+](=O)[O-])c6OC)C(C)(C)C)c5OCc9cccc(c9)[N+](=O)[O-])c4OC)C(C)(C)C)c3OCc%10cccc(c%10)[N+](=O)[O-]"	0	""	""	1	1	"16129915"	NA
"679198"	679198	"((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid"	"COc1ccc(cc1)\C(=N\N=C\2/Nc3ccccc3N2Cc4ccccc4)\C(=O)O"	0	""	""	1	1	"6297144"	NA
"679202"	679202	"10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	"COc1ccc(cc1)C2=NN=C3N(Cc4ccccc4)c5ccccc5N3C2=O"	0	""	""	1	1	"386675"	NA
"679203"	679203	"10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	"Clc1ccc(cc1)C2=NN=C3N(Cc4ccccc4)c5ccccc5N3C2=O"	0	""	""	1	1	"386676"	NA
"679223"	679223	"4-imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one"	"CN1C(=O)Nc2sc3CCCCc3c2C1=N"	0	""	""	1	1	"386693"	NA
"679225"	679225	"10-Thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene"	"C1CCc2c(C1)sc3N=CN4CCN=C4c23"	0	""	""	1	1	"386695"	NA
"679229"	679229	"1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea"	"Clc1ccc(NC(=S)Nc2sc3CCCCc3c2C#N)cc1"	0	""	""	1	1	"3005174"	NA
"679231"	679231	"4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol"	"S=C1Nc2sc3CCCCc3c2C(=N1)Nc4ccccc4"	0	""	""	1	1	"2816491"	NA
"679236"	679236	"STL170800"	"Brc1ccc(\C=C\2/NC(=S)NC2=O)s1"	0	""	""	1	1	"5468923"	NA
"679240"	679240	""	"O=C1NC(=S)N/C/1=C\c2cc3C(=O)c4ccccc4Sc3s2"	0	NA	NA	1	1	"517989"	NA
"679241"	679241	""	"O=C1N(C(=S)N/C/1=C\c2cc3C(=O)c4ccccc4Sc3s2)c5ccccc5"	0	NA	NA	1	1	"517990"	NA
"679243"	679243	""	"Brc1ccc(\C=C\2/NC(=S)N(CN3CCCCC3)C2=O)s1"	0	NA	NA	1	1	"517992"	NA
"679245"	679245	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Br)s3)\C(=O)N2c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"517994"	NA
"679246"	679246	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Br)s3)\C(=O)N2CN4CCOCC4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"517995"	NA
"679261"	679261	"Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate"	"CCOC(=O)CCc1c(C)nc2c(C)c3c4cc(Cl)ccc4[nH]c3c(C)c2c1O"	0	""	""	1	1	"386719"	NA
"679262"	679262	"1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone"	"CCC(=O)c1ccc2[nH]c3c(C)c4c(O)cc(C)nc4c(C)c3c2c1"	0	""	""	1	1	"496094"	NA
"679263"	679263	"n-[4-(2-n,n-diethylaminoethoxy)phenyl]-3-nitro-1,8-napht..."	"CCN(CC)CCOc1ccc(cc1)N2C(=O)c3cccc4cc(cc(C2=O)c34)[N+](=O)[O-]"	0	""	""	1	1	"386720"	NA
"679264"	679264	"n-[4-(2-pyrrolidinoethoxy)phenyl]-3-nitro-1,8-naphthalimide"	"[O-][N+](=O)c1cc2C(=O)N(C(=O)c3cccc(c1)c23)c4ccc(OCCN5CCCC5)cc4"	0	""	""	1	1	"386721"	NA
"679265"	679265	"n-[2,4-dinitro-1-anilino]-3-nitro-1,8-naphthalimide"	"[O-][N+](=O)c1ccc(NN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	3	1	"386722"	NA
"679266"	679266	"n-[4-ethyl-2,6-piperidinedione)phenyl]-3-nitro-1,8-napht..."	"CCC1(CCC(=O)NC1=O)c2ccc(cc2)N3C(=O)c4cccc5cc(cc(C3=O)c45)[N+](=O)[O-]"	0	""	""	2	1	"386723"	NA
"679271"	679271	""	"N[C@H]1[C@H](Br)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	3	2	"518004"	NA
"679281"	679281	"1-(3-Chloropropoxy)-2-diazonioethenolate"	"ClCCCOC(=O)C=[N+]=[N-]"	0	""	""	1	1	"386738"	NA
"679285"	679285	"Indan-2-yl 2-diazoacetate"	"[N-]=[N+]=CC(=O)OC1Cc2ccccc2C1"	0	""	""	2	1	"386746"	NA
"679287"	679287	""	"CC(=CCCC1(C)C2COC(=O)C12)C"	0	NA	NA	1	1	"518020"	NA
"679431"	679431	"2-Ethoxy-6-keto-estradiol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(=O)c2cc1O"	0	NA	NA	3	3	"518041"	NA
"679434"	679434	"[1-(Benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate"	"CC(=O)OC1CCC2C3CCc4c(C)ccc(OS(=O)(=O)c5ccccc5)c4C3CCC12C"	0	""	""	1	1	"386755"	NA
"679439"	679439	"2-Amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid"	"NC(CSCc1ccc(cc1)C(=O)c2ccc(CN3CCN(CCCCN4c5ccccc5Sc6cc(ccc46)N=[N+]=[N-])CC3)cc2)C(=O)O"	0	""	""	1	1	"386760"	NA
"679440"	679440	"STK386789"	"CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c2ccc(OC)cc2"	0	""	""	1	1	"386761"	NA
"679443"	679443	"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	"CCOC(=O)C1C(C(C(=O)OCC)C(O)(CC1=O)c2ccccc2)c3ccc(OC)cc3"	0	""	""	2	2	"386764"	NA
"679446"	679446	"Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	"CCOC(=O)C1C(C(C(=O)OCC)C(O)(CC1=O)c2ccccc2)c3ccc(cc3)N(C)C"	0	""	""	2	2	"386767"	NA
"679450"	679450	"1-cyano-7-allyl-2,3,7-triazabicyclo[3.3.0]oct-2-ene hydr..."	"C=CCN1CC2CN=NC2(C1)C#N"	0	NA	NA	1	1	"518060"	NA
"679451"	679451	"1-cyano-7-[3-oxo-butyl]-2,3,7-triazabicyclo[3.3.0]oct-2-ene"	"CC(=O)CCN1CC2CN=NC2(C1)C#N"	0	""	""	2	1	"386773"	NA
"679485"	679485	"2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetonitrile"	"Cc1ccc(cc1)c2n[nH]c(CC#N)n2"	0	""	""	1	1	"386777"	NA
"679500"	679500	"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide"	"CCOc1ccc(cc1)N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3)C2=O)C"	0	""	""	1	1	"386792"	NA
"679501"	679501	"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide"	"CCOc1ccc(cc1)N=NC2C(=NN(C(=O)CC(=O)Nc3ccc(C)cc3)C2=O)C"	0	""	""	1	1	"386793"	NA
"679504"	679504	"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3C)C2=O)C"	0	""	""	1	1	"386796"	NA
"679505"	679505	"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3OC)C2=O)C"	0	""	""	1	1	"386797"	NA
"679506"	679506	"N-(2-Chlorophenyl)-3-[4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3Cl)C2=O)C"	0	""	""	1	1	"386798"	NA
"679509"	679509	"N-(4-Chlorophenyl)-3-[4-[(3,4-dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide"	"Cc1ccc(cc1C)N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C"	0	""	""	1	1	"386801"	NA
"679516"	679516	""	"CC[C@@]1(C[C@H]2C[C@@]3(N(CCc4c3[nH]c5ccccc45)C2=S)C(=O)OC)COC6(CCCCC6)O1"	0	NA	NA	1	1	"518096"	NA
"679518"	679518	"1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(4-methylphenyl)sulfinylethanone"	"COc1ccc(cc1)S(=O)(=O)n2c3C[C@@H](Cl)[C@@H]4CCCN([C@@H]4c3c5ccccc25)C(=O)CS(=O)c6ccc(C)cc6"	0	""	""	1	1	"386810"	NA
"679524"	679524	"benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-..."	"COC(=O)c1c[nH]c2C(=O)C(=O)c3c(cc(C(=O)OCc4ccccc4)n3S(=O)(=O)c5ccc(C)cc5)c12"	0	""	""	2	2	"386816"	NA
"679525"	679525	"benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-..."	"COC(=O)c1cc2c3c(c[nH]c3C(=O)C(=O)c2n1S(=O)(=O)c4ccc(C)cc4)C(=O)OCc5ccccc5"	0	""	""	2	2	"386817"	"106674037"
"679527"	679527	"WDO527BMU2"	"COC(=O)c1cc(cn1S(=O)(=O)c2ccc(C)cc2)c3c[nH]cc3C(=O)OCc4ccccc4"	0	""	""	1	1	"386819"	"106674015"
"679528"	679528	"8-O-Benzyl 2-O-methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2,8-dicarboxylate"	"CCOP(=O)(OCC)OC1C(OC)c2[nH]c(cc2c3c(c[nH]c13)C(=O)OCc4ccccc4)C(=O)OC"	0	""	""	2	2	"386820"	NA
"679532"	679532	"Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate"	"O=Cc1cc(C(=O)OCc2ccccc2)n(c1)S(=O)(=O)c3ccccc3"	0	""	""	1	1	"386824"	NA
"679561"	679561	"2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one"	"ClC1=CC2(CCNC3=C2C(=O)c4nc[nH]c4C3=O)C=C(Cl)C1=O"	0	""	""	1	1	"386838"	NA
"679572"	679572	""	"N.NC1=Nc2c(ncn2C3CC(OP(=O)(O)OCC4OC(CC4O)n5c[n+]([BH2+3][C-]#N)c6C(=O)NC(=Nc56)N)C(CO)O3)C(=O)N1"	0	NA	NA	1	1	"582198"	NA
"679577"	679577	""	"CC1(C)O[C@@H]2COC(=O)[C@@H]2O1"	0	NA	NA	1	1	"518134"	NA
"679586"	679586	"Peridinin"	"CC(=O)O[C@H]1CC(C)(C)C(=C=C\C(=C\C=C\C=C\C=C(/C)\C=C\2/OC(=O)C(=C2)\C=C\[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)\C)[C@](C)(O)C1"	0	""	""	1	1	"5289155"	NA
"679588"	679588	""	"CCCC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@H](OC(=O)C)[C@@H]3O[C@@H]3C(=C)[C@H](Cl)[C@@H]4OC(=O)[C@H](C)[C@@]4(O)[C@H](OC(=O)C)[C@H]2[C@]1(C)O"	0	NA	NA	1	1	"518145"	NA
"679600"	679600	"2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol"	"Brc1ccc(cc1)c2cc3c(NC(=O)c4ccccc34)[nH]2"	0	""	""	1	1	"386858"	NA
"679673"	679673	"boc-leu-ser(oet)-nh2"	"CCOCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)N"	0	""	""	1	1	"386859"	NA
"679679"	679679	"Boc-Phe-Phe-Ala-OBzl"	"CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3"	0	""	""	1	1	"386865"	NA
"679681"	679681	"boc-gly-leu-met-nme2"	"CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C"	0	""	""	1	1	"386867"	NA
"679683"	679683	"Boc-Gly-Phe-Leu-OEt"	"CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	"386869"	NA
"679684"	679684	"z(ome)-gly-d-ala-phe-obzl"	"COc1ccc(COC(=O)NCC(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)OCc3ccccc3)cc1"	0	NA	NA	1	1	"518161"	NA
"679716"	679716	"1h-pyrazole-3-carboxylic acid, 5-benzoyl-4,5-dihydro- 4-..."	"CCOC(=O)C1=NNC(C1c2ccccc2)C(=O)c3ccccc3"	0	""	""	2	2	"386876"	NA
"679738"	679738	"2,6-Ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one"	"CC(C)(C)C1=CC(O)(C=C(C1=O)C(C)(C)C)c2c3ccccc3c(c4ccccc24)C5(O)C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"386880"	NA
"679739"	679739	"Methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]acetate"	"COC(=O)C(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"386881"	NA
"679743"	679743	"1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione, 12-[4-h..."	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2"	0	""	""	2	1	"386885"	NA
"679748"	679748	"[1,1'-binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetram..."	"CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc23)c4ccc(C)cc4C(=O)C1=O"	0	""	""	2	2	"386890"	NA
"679749"	679749	"296CFO5QF6"	"O=C1C=C(C2=CC(=O)C(=O)c3ccccc23)c4ccccc4C1=O"	0	""	""	1	1	"386891"	NA
"679795"	679795	""	"Nc1cc2cccc[n+]2c3cccc(Cl)c13"	0	NA	NA	1	1	"518188"	NA
"679796"	679796	""	"Nc1cc2cccc[n+]2c3cc(Cl)ccc13"	0	NA	NA	1	1	"518189"	NA
"679798"	679798	""	"Oc1cc2cccc[n+]2c3cc(Cl)ccc13"	0	NA	NA	1	1	"518191"	NA
"679800"	679800	"2,6-Bis((2-aminophenyl)thio)benzonitrile"	"Nc1ccccc1Sc2cccc(Sc3ccccc3N)c2C#N"	0	""	""	1	1	"386900"	NA
"679804"	679804	"3-pyridinecarboxylic acid, 5-cyano-1,4-dihydro- 6-(2-fur..."	"CCOC(=O)C1=C(C)NC(=C(C#N)C1c2cccc(c2)[N+](=O)[O-])c3occc3"	0	""	""	2	2	"386904"	NA
"679813"	679813	"Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate"	"CC(C)N(C(C)C)C(=O)C12C3(C4C5(C#N)C(C1(C35)C(=O)OC(C)(C)C)C24C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	"386912"	NA
"679815"	679815	"2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid"	"CN(C(=O)C12C3(C4C5(C(C1(C35)C(=O)O)C24C(=O)O)C(=O)O)C(=O)O)C(C)(C)C"	0	""	""	1	1	"386914"	NA
"679822"	679822	"naphth[2,3-d]oxazol-9(4h)-one, 2-methyl- 4-[4-(4-morphol..."	"Cc1oc2C(=O)c3ccccc3\C(=N\c4ccc(cc4)N5CCOCC5)\c2n1"	0	""	""	2	2	"386916"	NA
"679824"	679824	"5,8-quinolinedione, 7-[(2,2-diphenylethyl)amino]-"	"O=C1C=C(NCC(c2ccccc2)c3ccccc3)C(=O)c4ncccc14"	0	""	""	2	2	"386917"	NA
"679828"	679828	"PD-98059"	"COc1cccc(C2=CC(=O)c3ccccc3O2)c1N"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"167869218"
"679833"	679833	"(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione"	"Brc1ccc2[nH]cc([C@@H]3NC(=O)[C@@H](NC3=O)c4c[nH]c5ccc(Br)cc45)c2c1"	0	""	""	1	1	"6712394"	NA
"679835"	679835	"5-Bromo-3-[(5-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole"	"COc1ccc(cc1)C(c2c[nH]c3ccc(Br)cc23)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	1	"3745174"	NA
"680072"	680072	"Ochraceolide A"	"C[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]1[C@H]6[C@@H](C2)OC(=O)C6=C"	0	""	""	2	2	"386922"	NA
"680073"	680073	"C31H44O5"	"COC(=O)CC[C@]12C[C@]13CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3C[C@H]5OC(=O)C(=C)[C@@H]25)[C@H](C)CC\C=C(/C)\C=O"	0	""	""	2	2	"5468948"	NA
"680074"	680074	"Superstolide A"	"CO[C@@H]1C[C@H](OC(=O)N)[C@@H]2C=C[C@@H]3\C=C(/C)\C=C\[C@@H](C)[C@@H](OC(=O)\C=C\C=C(\C)/C=C/[C@]3(C)[C@@H]2C1)[C@H](C)[C@H](O)[C@@H](C)NC(=O)C"	0	""	""	2	2	"10258400"	"156368648"
"680075"	680075	"Superstolide B"	"CO[C@@H]1C[C@H](OC(=O)N)[C@@H]2C=C[C@@H]3\C=C(/C)\C=C\[C@@H](C)[C@@H](OC(=O)\C=C\C=C(\C)/C=C/[C@]3(C)[C@@H]2C1)\C(=C\[C@@H](C)NC(=O)C)\C"	0	""	""	2	2	"54603534"	"161300749"
"680093"	680093	"17-(o-(2-pyrrolidinoethyl)]oximino-5-androsten-3.beta.-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@H]3[C@@H]4CC\C(=N/OCCN5CCCC5)\[C@@]4(C)CC[C@H]23"	0	NA	NA	1	1	"518233"	NA
"680094"	680094	"17-(o-diethylaminoethyl)oximino-3-methoxy-1,3,5(10)- est..."	"CCN(CC)CCO\N=C\1/CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C"	0	NA	NA	2	2	"518234"	NA
"680095"	680095	"17-[o-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,3,5(10)- ..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=N\OCCN5CCCC5)[C@@H]3CCc2c1"	0	NA	NA	2	1	"518235"	NA
"680102"	680102	""	"N=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1C(=O)OCc4ccccc4"	0	NA	NA	1	1	"518242"	NA
"680185"	680185	"estra-1,3,5(10)-trien-3,17-diol,2-ethoxy-6-(hydroxyimino..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\O)\c2cc1O"	0	NA	NA	4	2	"518260"	NA
"680193"	680193	"2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline"	"COc1ccc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	1	1	"386966"	NA
"680213"	680213	"[n,n,n',n'-tetramethylethylenediamine carboxyboronium] b..."	"[Br-].C[N+]1(C)CC[N+](C)(C)[BH+3]1C(O)[O-]"	0	""	""	1	1	"499480"	NA
"680217"	680217	"5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole"	"Nc1oc(nc1C#N)c2cccnc2"	0	""	""	1	1	"386975"	NA
"680219"	680219	""	"c1ccc(cc1)N2N=C2c3ccccc3"	0	NA	NA	1	1	"582205"	NA
"680223"	680223	"bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate"	"CC1(C)C2CCC1(C)C(C2)OC(=O)\C=C\C(=O)OC3CC4CCC3(C)C4(C)C"	0	""	""	1	1	"5468961"	NA
"680292"	680292	"6,7-Dimethoxy-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,8(16),11(15)-tetraene-9,10-dione"	"COc1cc2CCN3CCCC4=C3c2c(C(=O)C4=O)c1OC"	0	""	""	1	1	"386981"	NA
"680295"	680295	""	"Nc1c(Cl)ncnc1N[C@@H]2C[C@H]2CO"	0	NA	NA	1	1	"518284"	NA
"680297"	680297	"(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone"	"CC1CCN(CC1)c2nnc(Cl)cc2C(=O)c3ccccc3"	0	""	""	1	1	"386986"	NA
"680300"	680300	""	"Cc1cc(CN(Cc2ccccc2)Cc3nc4ccccc4[nH]3)c(O)c(CN(Cc5nc6ccccc6[nH]5)Cc7nc8ccccc8[nH]7)c1"	0	NA	NA	2	2	"518289"	NA
"680303"	680303	"Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid"	"CC1=CC(=O)Nc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12"	0	""	""	1	1	"386992"	NA
"680304"	680304	"4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	"O=C1NN=C(Nc2ccccc2)c3nnn(Cc4ccccc4)c13"	0	""	""	1	1	"386994"	NA
"680308"	680308	"2-(5-acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile"	"CC(=O)C1=C(C)NC(=C(C#N)C#N)C(=C1)C#N"	0	""	""	1	1	"135467695"	NA
"680311"	680311	""	"[Z]c1c([Z])c2cc(ccc2c(OC)c1OC)C(=O)NCCCNC(=O)c3ccc4c(OC)c(OC)c([Z])c([Z])c4c3.[R]Cl.[R]Cl"	0	NA	NA	1	1	"582206"	NA
"680316"	680316	"phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate"	"Fc1ccc(F)c(\C=C\C(=O)OCCc2ccccc2)c1"	0	""	""	1	1	"5468962"	NA
"680317"	680317	"benzenepropanoic acid, 2,5-dihydroxy-, 2-phenylethylester"	"Oc1ccc(O)c(CCC(=O)OCCc2ccccc2)c1"	0	""	""	2	2	"387004"	NA
"680320"	680320	"3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline"	"COc1ccc2nc3C(=CC(C)(C)c3nc2c1)c4ccc(Br)cc4"	0	""	""	1	1	"387007"	NA
"680328"	680328	""	"OC[C@H]1C[C@H]1n2cnc3C(=O)NC=Nc23"	0	NA	NA	1	1	"518310"	NA
"680340"	680340	"4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one"	"O=C1Cc2cn[nH]c2c3ccccc3N1"	0	""	""	2	1	"387019"	NA
"680350"	680350	"Aza-heterocyclic Derivative, 4c"	"[O-][N+](=O)c1cccc(c1)c2nnc3C(=O)c4ccccc4c3n2"	0	""	""	1	1	"387030"	NA
"680399"	680399	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide"	"CCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCCCC"	0	""	""	1	1	"387041"	NA
"680410"	680410	"Adaphostin"	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	4	4	"387042"	"241127582"
"680417"	680417	"[3,4-dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCC\C=C/CCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	"5468967"	NA
"680418"	680418	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	"387050"	NA
"680420"	680420	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	"387052"	NA
"680421"	680421	"5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(CO)O2"	0	""	""	1	1	"387053"	NA
"680434"	680434	"3-amino-9(10h)-thioacridone"	"Nc1ccc2C(=S)c3ccccc3Nc2c1"	0	""	""	2	1	"3620127"	"129821085"
"680467"	680467	"5-[[(4-dimethylamino)phenyl]azo]quinoline"	"CN(C)c1ccc(cc1)N=Nc2cccc3ncccc23"	0	""	""	2	2	"87103"	NA
"680469"	680469	"4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile"	"ONC(CCC#N)(CCC#N)CCC#N"	0	""	""	1	1	"387078"	NA
"680479"	680479	"N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide"	"[O-][N+](=O)C1(CCNC(=O)c2ccccc2)CCN(CC1)C(=O)c3ccccc3"	0	""	""	1	1	"387088"	NA
"680482"	680482	""	"NCCC1(N)CCNCC1"	0	NA	NA	1	1	"518397"	NA
"680483"	680483	""	"NCCC1(CC=NC=C1)[N+](=O)[O-]"	0	NA	NA	1	1	"518398"	NA
"680493"	680493	"5-Nitrocinnoline"	"[O-][N+](=O)c1cccc2nnccc12"	0	""	""	1	1	"387102"	NA
"680495"	680495	"(4-bromophenyl)-(2-quinolyl)diazene"	"Brc1ccc(cc1)N=Nc2ccc3ccccc3n2"	0	""	""	1	1	"387104"	NA
"680508"	680508	"7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid"	"CC(=O)Nc1ccc2c(C(=O)O)c(C)c(O)nc2n1"	0	""	""	1	1	"5466192"	NA
"680509"	680509	"N-[2-(4-amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride"	"NC1(CCNC(=O)c2ccccc2)CCN(CC1)C(=O)c3ccccc3"	0	""	""	1	1	"387114"	NA
"680510"	680510	"1,8-naphthyridin-3-amine, 2,7-dichloro-5-methyl-"	"Cc1cc(Cl)nc2nc(Cl)c(N)cc12"	0	""	""	2	2	"387116"	NA
"680515"	680515	"7-(p-n,n-dimethylaminophenylazo)benzofuran"	"CN(C)c1ccc(cc1)N=Nc2cccc3ccoc23"	0	""	""	2	1	"39164"	"42242580"
"680537"	680537	"O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate"	"CCOC(=S)SC\C(=N/OC(C)(C)OC)\c1ccccc1"	0	""	""	1	1	"5907878"	NA
"680553"	680553	"2-quinoxalinecarboxylic acid, 3-[(4-fluorophenyl)amino]-..."	"CCOC(=O)c1nc2ccccc2nc1Nc3ccc(F)cc3"	0	""	""	2	2	"387137"	NA
"680561"	680561	"benzoic acid, 4-[2-[2,5-dihydroxyphenyl]ethenyl]-, methy..."	"COC(=O)c1ccc(\C=C\c2cc(O)ccc2O)cc1"	0	""	""	2	2	"5468975"	NA
"680649"	680649	"benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)-ethyl..."	"COC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	"387145"	NA
"680664"	680664	"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-"	"Cc1c(Cl)nc(Nc2nc3ccccc3[nH]2)nc1Cl"	0	""	""	1	1	"387150"	NA
"680666"	680666	"1H-Benzimidazol-2-amine, N-[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]-"	"Cc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1CCCl"	0	""	""	1	1	"387152"	NA
"680667"	680667	"2-(1H-benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one"	"OC1=C(Cc2ccccc2)C(=O)NC(=N1)Nc3nc4ccccc4[nH]3"	0	""	""	1	1	"387153"	NA
"680669"	680669	"N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine"	"Clc1cc(nc(Nc2nc3ccccc3[nH]2)n1)c4ccccc4"	0	""	""	1	1	"387155"	NA
"680672"	680672	"8W-0230"	"CCOC(=O)C1=CN=C(NC1=O)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	"387158"	NA
"680674"	680674	"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile"	"O=C1NC(=NC=C1C#N)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	"387160"	NA
"680675"	680675	"8W-0228"	"CC1=CC(=O)NC(=N1)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	"135408826"	NA
"680676"	680676	"8W-0235"	"O=C1NC(=NC(=C1)c2ccccc2)N3NC4=C(CCCC4)C3=O"	0	""	""	1	1	"135439521"	NA
"680679"	680679	"C9H7N5"	"Nc1ncn2c3ccccc3nc2n1"	0	""	""	1	1	"387165"	NA
"680710"	680710	"3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one"	"CC1=C(Cl)C(=O)Oc2cc(OCC(=O)c3ccccc3)ccc12"	0	""	""	1	1	"387174"	NA
"680711"	680711	"RM8UZT5WRZ"	"CC(=O)Oc1cccc2CCCCC(=O)c12"	0	""	""	1	1	"387175"	"123958372"
"680712"	680712	"[(5-oxo-5h-benzocyclohepten-4-yl)oxy]acetic acid"	"OC(=O)COc1cccc2C=CC=CC(=O)c12"	0	""	""	1	1	"387176"	"123958407"
"680715"	680715	"salicylaldehyde, 5-bromo- (8ci)"	"Oc1ccc(Br)c(C=O)c1"	0	""	""	3	3	"387179"	"1761611"
"680717"	680717	"2-bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine"	"COc1ccc(Br)c(\C=N/c2cccc3cc(OC)c(OC)cc23)c1"	0	""	""	3	3	"387181"	"56517012"
"680718"	680718	"n-methyl-2,3,8-trimethoxybenzo[c]phenanthridinium iodide"	"COc1ccc2c(c1)c[n+](C)c3c2ccc4cc(OC)c(OC)cc34"	0	""	""	1	1	"387182"	NA
"680720"	680720	"picramnioside c"	"CC(=O)OC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24"	0	NA	NA	1	1	"518498"	NA
"680721"	680721	"5h-1,4,8,11-benzotetrathiacyclotridecin- 13,14-dicarboni..."	"N#Cc1cc2SCCSCCCSCCSc2cc1C#N"	0	""	""	2	2	"387185"	NA
"680722"	680722	"[?]diimine"	"N=C1NC(=N)c2cc3SCCSCCCSCCSc3cc12"	0	""	""	2	2	"387186"	NA
"680728"	680728	"1-penten-4-yn-3-one, 5-(2,4-dimethoxypyrimidin-5-yl)-"	"COc1ncc(C#CC(=O)C=C)c(OC)n1"	0	""	""	2	2	"387188"	NA
"680732"	680732	"12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione"	"CN(C)\C=C\c1c2C(=O)c3ccccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	"5468976"	NA
"680733"	680733	"quino[6,7-b]quinolin-5,12-dione, 11-[2-(dimethylamino) e..."	"CN(C)\C=C\c1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	"5468977"	NA
"680734"	680734	"pyrido[2,3-b]acridine-5,12-dione, 11-[2-(dimethylamino)e..."	"CN(C)CCc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	3	3	"387193"	NA
"680735"	680735	"6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one"	"Brc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35"	0	""	""	2	2	"387194"	NA
"680738"	680738	"2-Phenyl-1-benzothiophen-3-ol"	"Oc1c(sc2ccccc12)c3ccccc3"	0	""	""	1	1	"387196"	NA
"680739"	680739	"Maybridge3_002848"	"CC(=O)Oc1c(sc2ccccc12)c3ccccc3"	0	""	""	1	1	"387197"	NA
"680763"	680763	""	"CCOC(=O)\C=C\[C@H](O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)C(C)(C)C"	0	NA	NA	2	1	"518517"	NA
"680771"	680771	"(4s,5s)-4(tert-butyldimethylsilyoxy)-5-hydroxy-1,8-diace..."	"CC(=O)OC\C=C\[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)\C=C\COC(=O)C"	0	NA	NA	1	1	"518525"	NA
"680773"	680773	"ethyl-(4s,5s)-4-hydroxy-5-tert-butyldimethylsilyoxy-2,6-..."	"CCOC(=O)\C=C\[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)\C=C\C"	0	NA	NA	1	1	"518527"	NA
"680776"	680776	""	"CC(C)(C)[Si](C)(C)O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)OC3CCCC=C3"	0	NA	NA	1	1	"518530"	NA
"680777"	680777	""	"COc1ccc(cc1)C(OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccccc2)c3ccccc3)c4ccc(OC)cc4"	0	NA	NA	1	1	"518531"	NA
"680779"	680779	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 2..."	"CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C"	0	""	""	2	2	"387217"	NA
"680780"	680780	"benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)etheny..."	"COC(=O)c1ccc(\C=C\C2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	"5468990"	NA
"680781"	680781	"2(3h)-furanone, dihydro-3-[1-[(4-chlorophenyl)amino] eth..."	"C\C(=C/1\CCOC1=O)\Nc2ccc(Cl)cc2"	0	""	""	2	2	"820318"	NA
"680782"	680782	"IDI1_014313"	"C\C(=C/1\CCOC1=O)\Nc2ccc(F)cc2"	0	""	""	1	1	"2815996"	NA
"680788"	680788	"1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	"Cc1nc2ccc(Cl)cc2c3N(CCc13)c4ccccc4"	0	""	""	1	1	"387226"	NA
"680809"	680809	"1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione"	"CN1C(=O)N(C)c2c(C1=O)c3ccccc3n2C"	0	""	""	1	1	"387234"	NA
"680820"	680820	"2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol"	"CCc1ccc(NC2=CC(=O)NC(=N2)SCc3ccccc3)cc1"	0	""	""	1	1	"135489816"	NA
"680827"	680827	"5-bromo-3H-triazolo[4,5-d]pyrimidin-7-ol"	"BrC1=Nc2[nH]nnc2C(=O)N1"	0	""	""	1	1	"135440019"	NA
"680836"	680836	"2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol"	"NC1=NC2(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(COC(c6ccccc6)(c7ccccc7)c8ccccc8)C(O)C2O1"	0	""	""	1	1	"387255"	NA
"680837"	680837	"6h,11h-1,3,5,2,4-trioxadisilocino[6'',7'':4',5']furo [2'..."	"COC(O)C12OC3CO[Si](O[Si](OC3C1OC4=NC(=O)C=CN24)(C(C)C)C(C)C)(C(C)C)C(C)C"	0	""	""	2	2	"387256"	NA
"680838"	680838	"Methyl 15-oxo-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-diene-11-carboxylate"	"COC(=O)C12OC3CO[Si](O[Si](OC3C1OC4=NC(=O)C=CN24)(C(C)C)C(C)C)(C(C)C)C(C)C"	0	""	""	1	1	"387257"	NA
"680841"	680841	"1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C([Se]c2ccccc2)C1O)N3C=CC(=O)NC3=O"	0	""	""	1	1	"387260"	NA
"680857"	680857	"3-ethyl-4-hydroxy-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1O"	0	""	""	1	1	"387261"	NA
"680862"	680862	"4-[(E)-(2-chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2ccccc2Cl"	0	""	""	1	1	"9574950"	NA
"680863"	680863	"3-ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2ccc(C)cc2"	0	""	""	1	1	"9556228"	NA
"680930"	680930	"1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea"	"CN(C)c1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	1	1	"5911253"	NA
"680931"	680931	"1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide"	"O=C(N\N=C\c1cccc2ccccc12)Nc3cccc4ccccc34"	0	""	""	1	1	"5859414"	NA
"680933"	680933	"benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone"	"Clc1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	2	1	"5923589"	NA
"680934"	680934	"1-[(Z)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea"	"COc1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	1	1	"5914027"	NA
"680935"	680935	"2h-furo[3',2':3,4]benzopyrano[6,7-b]pyridine- 2,6,11-tri..."	"Cc1cnc2C(=O)C3=C(C(=O)c2c1)C(C)(C)OC4CC(=O)OC34"	0	""	""	2	2	"387284"	NA
"680936"	680936	"6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione"	"Cc1nc2C(=O)C3=C(C(=O)c2cc1OCc4ccccc4)C(C)(C)OC5CC(=O)OC35"	0	""	""	1	1	"387285"	NA
"680981"	680981	"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one"	"NC1=NC(=O)N(C2OC(CO)C(O)C2O)c3ncc(nc13)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"387287"	NA
"680998"	680998	"N-[1-(dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide"	"CC(CN(C)C)NC(=O)c1cc(nc2ccc(C)cc12)c3nccn3C"	0	""	""	1	1	"387305"	NA
"680999"	680999	"N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide"	"CCN(CC)CCCC(C)NC(=O)c1cc(nc2ccc(C)cc12)c3nccn3C"	0	""	""	1	1	"387306"	NA
"681019"	681019	"RD7-5040"	"COc1cc(O)c2C(=O)c3ccccc3N(C)c2c1"	0	""	""	1	1	"5377412"	NA
"681026"	681026	"2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one"	"O=C1C=C(N=C2C=CC=CN12)N3CCN(CC3)C4=CC(=O)c5ccccc5O4"	0	""	""	2	1	"387313"	NA
"681027"	681027	"7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione"	"CCS(=O)(=O)CCn1cnc2N(C)C(=O)N(C)C(=O)c12"	0	""	""	1	1	"387314"	NA
"681056"	681056	"glycochenodeoxycholic acid, sodium salt (7ci)"	"C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	"518639"	"16564435"
"681073"	681073	""	"COC(=O)[C@@H]1COC(N1C(=O)C(c2ccccc2)c3ccccc3)C(C)(C)C"	0	NA	NA	1	1	"518646"	NA
"681079"	681079	""	"COC(=O)[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1)C2(C)C)C(C)(C)C"	0	NA	NA	1	1	"518652"	NA
"681081"	681081	"AK155881"	"Brc1c2N=S=Nc2c(Br)c3nsnc13"	0	""	""	2	2	"387337"	NA
"681082"	681082	"2-furanacetic acid, .alpha.-(4,5-diphenyl-2-oxo- 3-oxazo..."	"CC(N1C(C(OC1=O)c2ccccc2)c3ccccc3)(C(=O)OCc4ccccc4)c5occc5"	0	""	""	2	2	"387338"	NA
"681083"	681083	"1,7-Ditosyl-1,4,7,10-tetraazacyclododecane"	"Cc1ccc(cc1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"387339"	NA
"681086"	681086	""	"C\C(=N/N=C(/N)\SB(F)F)\c1ccc2ccccc2c1"	0	NA	NA	1	1	"518659"	NA
"681104"	681104	"phosphonic acid, [1,4,7,10-tetraazacyclododecane-1,7-diy..."	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CCNCC1"	0	NA	NA	2	2	"518668"	NA
"681105"	681105	"acetic acid, [1,4,7,10-tetraazacyclododecane-1,7-diyl]bis"	"OC(=O)CN1CCNCCN(CC(=O)O)CCNCC1"	0	NA	NA	2	2	"518669"	NA
"681112"	681112	""	"Oc1ccccc1CNCc2nc3ccccc3[nH]2"	0	NA	NA	1	1	"518676"	NA
"681113"	681113	"N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine"	"C(Cc1ccccc1)N(Cc2nc3ccccc3[nH]2)Cc4nc5ccccc5[nH]4"	0	""	""	2	2	"387361"	NA
"681114"	681114	"5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine"	"Cc1cc2nc3ccccc3n2c4nc(N)ccc14"	0	""	""	1	1	"387362"	NA
"681115"	681115	"4-Methylbenzimidazo[1,2-a][1,8]naphthyridine"	"Cc1ccnc2c1ccc3nc4ccccc4n23"	0	""	""	1	1	"387363"	NA
"681122"	681122	"4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid"	"OC(=O)c1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	1	1	"387370"	NA
"681129"	681129	""	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	1	1	"518693"	NA
"681132"	681132	""	"Oc1c(CN2CCOCC2)cc(cc1CN3CCOCC3)C(=O)\C=C\c4ccccc4"	0	NA	NA	1	1	"518696"	NA
"681135"	681135	"1,3-bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride"	"CC(C)(CN1CCCCC1)\C(=N/NC(=O)N\N=C(\C=C\c2ccc(Cl)cc2)/C(C)(C)CN3CCCCC3)\C=C\c4ccc(Cl)cc4"	0	""	""	2	1	"6519178"	NA
"681143"	681143	"4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile"	"Nc1nc(nc2oc(nc12)c3ccc(cc3)C#N)c4ccccc4"	0	""	""	1	1	"387395"	NA
"681145"	681145	"Antcin B"	"CC(CCC(=C)C(C)C(=O)O)C1CCC2C3=C(C(=O)CC12C)C4(C)CCC(=O)[C@@H](C)C4CC3=O"	0	NA	NA	1	1	"518707"	NA
"681146"	681146	"(3r)-astragaluquinone"	"COc1ccc2C[C@@H](COc2c1OC)C3=CC(=O)C=C(O)C3=O"	0	""	""	2	2	"73200"	NA
"681151"	681151	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"O=C(OC12CC3CC(CC(C3)C1)C2)c4ccc(NCC5=CC(=O)C=CC5=O)cc4"	0	""	""	2	2	"387401"	NA
"681152"	681152	"benzoic acid, 4-[2-(2,5-dihydroxyphenyl)ethyl]-, methyl ..."	"COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1"	0	""	""	3	3	"387402"	NA
"681163"	681163	"8-Chloroimidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile 5,5-dioxide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C#N"	0	""	""	2	2	"387415"	NA
"681164"	681164	"N-butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"CCCCNC(=O)c1cc2c(Sc3nccn3S2(=O)=O)cc1Cl"	0	""	""	1	1	"387416"	NA
"681165"	681165	"8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4ccccc4"	0	""	""	2	1	"387417"	NA
"681167"	681167	"8-chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1ccc(NC(=O)c2cc3c(Sc4nccn4S3(=O)=O)cc2Cl)cc1"	0	""	""	1	1	"387419"	NA
"681173"	681173	"2-chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide"	"Cc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)NC4=NNC(=O)N4)C(=O)Nc5ccc(C)cc5)cc2Cl)S(=O)(=O)NC6=NNC(=O)N6)cc1"	0	""	""	1	1	"135489820"	NA
"681177"	681177	"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea"	"CSc1cc(Cl)c(C)cc1S(=O)(=O)NC(=O)NNc2ccccn2"	0	""	""	1	1	"387428"	NA
"681185"	681185	"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea"	"CSc1cc(Cl)c(C)cc1S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	"387436"	NA
"681226"	681226	"boronic acid, [1-[2-[(4-morpholinylcarbonyl]amino]- 3-(1..."	"CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O"	0	""	""	3	2	"387437"	NA
"681228"	681228	"boronic acid, [1-[[3-(1-naphthalenyl)-1-oxo- 2-[(8-quino..."	"CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NS(=O)(=O)c3cccc4cccnc34)B(O)O"	0	""	""	3	3	"387439"	NA
"681229"	681229	"boronic acid, [1-[[2-amino-3-(1-naphthalenyl)- 1-oxoprop..."	"CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cccc2ccccc12)B(O)O"	0	""	""	3	2	"387440"	NA
"681231"	681231	"boronic acid, [1-[[3-(1-naphthalenyl)-2-[(4-morpholinyl ..."	"CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O"	0	""	""	3	3	"387442"	NA
"681234"	681234	"boronic acid, [1-[[3-(1-naphthalenyl)-1-oxopropyl]amino]..."	"CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)B(O)O"	0	""	""	3	2	"387443"	NA
"681236"	681236	"boronic acid, [1-[[3-(1-naphthalenyl)-2-[(4-morpholinyl ..."	"OB(O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)N4CCOCC4"	0	""	""	2	2	"387444"	NA
"681237"	681237	"boronic acid, [1-[[3-(1-naphthalenyl)-2-(methylamino)- 1..."	"CN[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)B(O)O"	0	""	""	3	1	"387445"	NA
"681239"	681239	"Bortezomib"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O"	0	"PSM"	"FDA approved"	6	2	"-1"	"179324697"
"681242"	681242	"{(1r)-3-Methyl-1-[(3-phenylpropanoyl)amino]butyl}boronic acid"	"CC(C)C[C@H](NC(=O)CCc1ccccc1)B(O)O"	0	""	""	1	1	"387448"	NA
"681261"	681261	"4-Azido-2-quinolone"	"[N-]=[N+]=NC1=CC(=O)Nc2ccccc12"	0	""	""	1	1	"2785819"	NA
"681266"	681266	"1,3-diphenyl-4-phosphoranylideneamino-uracil"	"O=C1C=C(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)N(C(=O)N1c5ccccc5)c6ccccc6"	0	""	""	1	1	"387460"	NA
"681271"	681271	"1,3,6-triphenyl-oxazolo(5,4-d)pyrimidin-2',4(1h,3h)-dion"	"O=C1N(C(=O)c2nc(oc2N1c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	2	1	"387467"	NA
"681277"	681277	"4'-azido-3-nitro-1-methyl-2-quinolone"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)[N+](=O)[O-]"	0	""	""	2	2	"387473"	NA
"681279"	681279	"5-phenyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-n-oxide (furo..."	"[O-][n+]1onc2c3ccccc3N(C(=O)c12)c4ccccc4"	0	""	""	3	2	"387476"	NA
"681281"	681281	"2,3-Diazido-phenalen-1-on"	"[N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(C1=O)c23"	0	""	""	1	1	"387478"	NA
"681282"	681282	"1,3-dimethyl-5-nitro-4-phosphoranylideneamino-uracil"	"CN1C(=O)N(C)C(=C(C1=O)[N+](=O)[O-])N=P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"387480"	NA
"681285"	681285	"1-Azido-2-acetyl-benzo(ii)quinolizin-3-one"	"CC(=O)C1=C(N=[N+]=[N-])c2cccc3CCCN(C1=O)c23"	0	""	""	1	1	"387483"	NA
"681287"	681287	"9-chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one"	"Clc1ccc2NC(=O)c3nc(oc3c2c1)c4ccccc4"	0	""	""	1	1	"387486"	NA
"681288"	681288	"benzoic acid, 4-[[2-(1,4-dioxonaphthalenyl)methyl]amino]..."	"COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1"	0	""	""	2	1	"387487"	NA
"681312"	681312	""	"Cl[C@@]12[C@@H]([C@H]1c3ccccc3)C(=O)[C@@]4(Cl)[C@H]([C@@H]4c5ccccc5)C2=O"	0	NA	NA	1	1	"518799"	NA
"681316"	681316	"1-(5-Bromo-2-thienyl)-1-propanone oxime"	"CC\C(=N\O)\c1ccc(Br)s1"	0	""	""	1	1	"6375867"	NA
"681320"	681320	""	"CSC1=C(C)S\C(=C/c2ccc(\C=C\3/SC(=C(SC)S3)C)cc2)\S1"	0	NA	NA	1	1	"518807"	NA
"681322"	681322	""	"N=C1N([C@@H](Cc2ccccc2)[C@H](c3ccccc3)C1(c4ccccc4)c5ccccc5)S(=O)(=O)c6ccccc6"	0	NA	NA	1	1	"518809"	NA
"681323"	681323	""	"O=S(=O)(N[C@@H](Cc1ccccc1)[C@H](c2ccccc2)C(C#N)(c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"518810"	NA
"681324"	681324	"1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone"	"Brc1nn(CC(=O)c2ccccc2)c(Br)c1Br"	0	""	""	1	1	"387513"	NA
"681326"	681326	"17-Thia-2,4,5,7,8-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,11(16)-tetraen-9-one"	"O=C1N2NC=NNC2=Nc3sc4CCCCc4c13"	0	""	""	2	2	"387515"	NA
"681451"	681451	"uracil, 1-(1-adamantylcarboxamido)-5-fluoro-"	"FC1=CN(NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)NC1=O"	0	""	""	2	2	"387541"	NA
"681452"	681452	"1-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	"Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1"	0	""	""	1	1	"387542"	NA
"681453"	681453	"2-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	"Clc1cc(OC2C3CC4CC(CC2C4)C3)nc(Cl)n1"	0	""	""	1	1	"387543"	NA
"681455"	681455	"benzo[b][1,8]naphthyridin-5-imine, 10,10'-octamethylene-..."	"Cc1cc(C)c2C(=N)c3ccccc3N(CCCCCCCCN4c5ccccc5C(=N)c6c(C)cc(C)nc46)c2n1"	0	NA	NA	2	1	"518844"	NA
"681461"	681461	""	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4ccc(CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)cc4)c9ccccn9"	0	NA	NA	1	1	"518850"	NA
"681462"	681462	"6,8-methanoisoquinoline, 5,5'-(1,3-phenylenedimethyene) ..."	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4cccc(CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c4)c9ccccn9"	0	NA	NA	2	2	"518851"	NA
"681463"	681463	"6,8-methanoisoquinoline, 5,5'-(1,2-phenylenebismethyl)bi..."	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4ccccc4CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c9ccccn9"	0	NA	NA	2	2	"518852"	NA
"681466"	681466	"(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](C(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	""	""	1	1	"5459276"	NA
"681480"	681480	"N-[17-(benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide"	"CC(=O)Nc1ccc2cc3c(nc2n1)c4cccnc4n3S(=O)(=O)c5ccccc5"	0	""	""	1	1	"387557"	NA
"681481"	681481	"Geodiamolide B"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(O)c(Br)c2)C(=O)N[C@@H](C)C(=O)O1"	0	""	""	3	3	"5469013"	NA
"681482"	681482	"Benzo[g]quinoxalin-2(1h)-one"	"O=C1Nc2cc3ccccc3cc2N=C1"	0	""	""	1	1	"387559"	NA
"681483"	681483	"3-Methylbenzo[g]quinoxalin-2(1h)-one"	"CC1=Nc2cc3ccccc3cc2NC1=O"	0	""	""	1	1	"387560"	NA
"681538"	681538	"3-benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccccc1\C=N\N2C(=O)NN=C2Cc3ccccc3"	0	""	""	1	1	"9574951"	NA
"681541"	681541	"benzoic acid, 4-[[2-(1,4-dihydroxynaphthalenyl)methyl]am..."	"COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1"	0	""	""	2	2	"387584"	NA
"681598"	681598	"11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene"	"COc1cccc2CC3COc4ccccc4C3Oc12"	0	""	""	1	1	"387589"	NA
"681606"	681606	"17-Methoxy-6,8,12,20-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14(19),15,17-hexaene"	"COc1ccc2C3Oc4cc5OCOc5cc4CC3COc2c1"	0	""	""	1	1	"387597"	NA
"681613"	681613	"3-Methoxy-6H,7H-chromeno[4,3-b]chromene"	"COc1ccc2C3=C(COc2c1)Cc4ccccc4O3"	0	""	""	1	1	"387604"	NA
"681619"	681619	"3-methoxy-6H-chromeno[4,3-b]chromen-7-one"	"COc1ccc2C3=C(COc2c1)C(=O)c4ccccc4O3"	0	""	""	1	1	"387610"	NA
"681621"	681621	"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea"	"CCCCNC(=S)Nc1nc(cs1)C(=O)NNC(=O)c2ccccc2"	0	""	""	1	1	"3005191"	NA
"681622"	681622	"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea"	"O=C(NNS(=O)(=O)c1ccccc1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	"3005192"	NA
"681623"	681623	"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea"	"O=C(NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1)c3ccccc3"	0	""	""	1	1	"3005193"	NA
"681628"	681628	"1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea"	"CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1"	0	""	""	1	1	"3005198"	NA
"681629"	681629	"1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea"	"O=C(NNC(=S)NC1CCCCC1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	"3005199"	NA
"681630"	681630	"1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea"	"O=C(NNC(=S)NCc1ccccc1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	"3005200"	NA
"681632"	681632	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5ccc(O)cc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	"54608935"	NA
"681633"	681633	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CO)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608425"	NA
"681634"	681634	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CC(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608402"	NA
"681635"	681635	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CCSC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608835"	NA
"681636"	681636	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(C)N)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608427"	NA
"681637"	681637	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)CN)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608404"	NA
"681638"	681638	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C5CCCN5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	"54608406"	NA
"681639"	681639	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5c[nH]cn5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	"54608937"	NA
"681640"	681640	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5c[nH]c6ccccc56)c7ccccc7nc34)C2=O"	0	"TOP1"	""	2	2	"54608408"	NA
"681641"	681641	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)c5ccc(N)cc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	"54601571"	NA
"681642"	681642	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CS)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608410"	NA
"681643"	681643	"Camptothecin Derivative"	"CCC(C)C(N)C(=O)N\N=C\c1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	""	2	2	"54608412"	NA
"681644"	681644	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C[N+](C)(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608939"	NA
"681645"	681645	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(=O)N)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"54608414"	NA
"681646"	681646	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C[n+]5ccccc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	"54608429"	NA
"681682"	681682	"2,3,17.beta.-triacetyloxyestra-1,3,5(10)-triene"	"CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)c(OC(=O)C)cc4[C@H]3CC[C@]12C"	0	NA	NA	1	1	"518943"	NA
"681683"	681683	"2-trifluoroethoxy-6-hydroxyiminoestra-1,3,5(10)-trien-3,..."	"C[C@]12CC[C@H]3[C@@H](C\C(=N/O)\c4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	4	2	"518944"	NA
"681684"	681684	"2-trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-..."	"C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	2	2	"518945"	NA
"681690"	681690	"6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine"	"Clc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl"	0	""	""	1	1	"5466206"	NA
"681692"	681692	"WDWFTRKUESNIEQ-UHFFFAOYSA-N"	"CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc12"	0	""	""	1	1	"387666"	NA
"681693"	681693	"2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol"	"Cc1ccc(NC2=Nc3[nH]ccc3C(=O)N2)cc1"	0	""	""	1	1	"135489824"	NA
"681699"	681699	"2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate"	"CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(=O)C)c3n2)cc1"	0	""	""	1	1	"387674"	NA
"681703"	681703	"LS-126486"	"CCCCc1ccc(Nc2ncc3nc[nH]c3n2)cc1"	0	""	""	1	1	"496196"	NA
"681709"	681709	"4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine"	"Nc1nc(Cl)cc(N=Nc2ccccc2)n1"	0	""	""	1	1	"387683"	NA
"681710"	681710	"(5S,5aS,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccccc4C(=O)c5ccccc5)c6cc7OCOc7cc26"	0	""	""	2	2	"387684"	NA
"681711"	681711	"(5S,5aS,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(Cl)cc4C(=O)c5ccccc5)c6cc7OCOc7cc26"	0	""	""	2	2	"387685"	NA
"681712"	681712	"(5S,5aS,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)c6cc7OCOc7cc26"	0	""	""	2	2	"387686"	NA
"681713"	681713	"(5S,5aS,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4C(=O)c5ccccc5)[N+](=O)[O-])c6cc7OCOc7cc26"	0	""	""	2	2	"387687"	NA
"681719"	681719	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C"	0	""	""	2	2	"387690"	NA
"681725"	681725	"2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile"	"N#CC(Nc1ccccc1)c2ccc(cc2)C(Nc3ccccc3)C#N"	0	""	""	1	1	"387696"	NA
"681727"	681727	"2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile"	"CC(Nc1ccc(Oc2ccc(cc2)C(C)(C)c3ccc(Oc4ccc(NC(C)C#N)cc4)cc3)cc1)C#N"	0	""	""	1	1	"387698"	NA
"681730"	681730	"2,2'-(1,3-phenylenebis(methylene))bis(azanediyl)bis(2-ph..."	"N#CC(NCc1cccc(CNC(C#N)c2ccccc2)c1)c3ccccc3"	0	""	""	1	1	"387701"	NA
"681746"	681746	"N-[cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide"	"O=C(N(CCOCCOCCN(C(C#N)c1ccccc1)C(=O)c2cccc3ccccc23)C(C#N)c4ccccc4)c5cccc6ccccc56"	0	""	""	1	1	"387717"	NA
"681748"	681748	"N-[[3-[[acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide"	"CCC(C#N)N(Cc1cccc(CN(C(CC)C#N)C(=O)C)c1)C(=O)C"	0	""	""	1	1	"387719"	NA
"681750"	681750	"N-[[4-[10-[4-[[Acetyl(2-phenylethyl)amino]-cyanomethyl]phenoxy]decoxy]phenyl]-cyanomethyl]-N-(2-phenylethyl)acetamide"	"CC(=O)N(CCc1ccccc1)C(C#N)c2ccc(OCCCCCCCCCCOc3ccc(cc3)C(C#N)N(CCc4ccccc4)C(=O)C)cc2"	0	""	""	1	1	"387721"	NA
"681758"	681758	"1h-pyrrole-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1..."	"COc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])C(C#N)(C#N)C(=C2N)C#N"	0	""	""	2	1	"387729"	NA
"681761"	681761	"STL325708"	"NC1=C(C#N)C(C#N)(C#N)C(N1\N=C\c2ccccc2)c3ccccc3"	0	""	""	2	1	"9556239"	NA
"681767"	681767	"STK760172"	"Nc1c(C#N)c(C#N)c(c2ccccc2)n1c3ccccc3"	0	""	""	1	1	"387738"	NA
"681768"	681768	"XTEFRGALZMWBFT-UHFFFAOYSA-N"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3ccccc3"	0	""	""	1	1	"387739"	NA
"681769"	681769	"STK763956"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"387740"	NA
"681770"	681770	"Cambridge id 5865107"	"Nc1c(C#N)c(C#N)c(c2cccc(c2)[N+](=O)[O-])n1c3ccccc3"	0	""	""	1	1	"387741"	NA
"681771"	681771	"STK529683"	"Nc1c(C#N)c(C#N)c(c2occc2)n1c3ccccc3"	0	""	""	1	1	"387742"	NA
"681772"	681772	"2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3occc3"	0	""	""	1	1	"387743"	NA
"681774"	681774	""	"CC(C)\C=N\n1c(N)c(C#N)c(C#N)c1C(C)C"	0	NA	NA	1	1	"519025"	NA
"681775"	681775	""	"Nc1c(C#N)c(C#N)c(c2ccccc2)n1\N=C\c3ccccc3"	0	NA	NA	1	1	"519026"	NA
"681776"	681776	"XNIVBTJMWLISEX-DJKKODMXSA-N"	"Nc1c(C#N)c(C#N)c(c2occc2)n1\N=C\c3occc3"	0	""	""	1	1	"9571538"	NA
"681777"	681777	"STK676952"	"CC1C(C)(C(=C(C#N)C1(C#N)C#N)N)[N+](=O)[O-]"	0	""	""	1	1	"387748"	NA
"681780"	681780	"4-Acetyl-3-amino-4-methyl-5-propylcyclopent-2-ene-1,1,2-tricarbonitrile"	"CCCC1C(C)(C(=O)C)C(=C(C#N)C1(C#N)C#N)N"	0	""	""	1	1	"387751"	NA
"681782"	681782	"STL298328"	"CC1(C)CC2(C)OC(=N)C1(C#N)C2(C#N)C#N"	0	""	""	1	1	"387753"	NA
"681784"	681784	"Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate"	"CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N"	0	""	""	1	1	"387755"	NA
"681786"	681786	"KLXOIVABBVGCQQ-UHFFFAOYSA-N"	"CCOC(=O)C1C(c2ccccc2)C3(C#N)C(=N)OC1(C)C3(C#N)C#N"	0	""	""	1	1	"387757"	NA
"681814"	681814	"4-[(E)-[1-[3-(2-chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	"CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc3ccc(cc3)C(=O)O"	0	""	""	1	1	"387760"	NA
"681820"	681820	"4-[(E)-[1-[3-(2-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	"COc1ccccc1NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(cc3)C(=O)O)C2=O"	0	""	""	1	1	"387766"	NA
"681823"	681823	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-dinitro-"	"[O-][N+](=O)c1cc2C(=O)c3scc(c3C(=O)c2s1)[N+](=O)[O-]"	0	""	""	2	2	"387769"	NA
"681824"	681824	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-nitro-"	"[O-][N+](=O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	"387770"	NA
"681825"	681825	"benzo[1,2-b:4,5-b']dithiophene, 4,8-diethoxy-"	"CCOc1c2ccsc2c(OCC)c3ccsc13"	0	""	""	2	2	"387771"	NA
"681827"	681827	"DJAREVVDYFIGBP-UHFFFAOYSA-N"	"COc1c2ccsc2c(OC)c3ccsc13"	0	""	""	1	1	"387773"	NA
"681850"	681850	"piperidine-2,2,3,3-tetracarbonitrile, 1-(dimethylamino)-..."	"CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	2	2	"387777"	NA
"681852"	681852	"2h-cyclopenta[e]-1,2,4-triazine-6,6,7,7-tetracarbonitril..."	"CN1CNC2=C(C)C(C#N)(C#N)C(C#N)(C#N)C2=N1"	0	""	""	2	2	"387779"	NA
"681856"	681856	""	"CN(C)NC1CC(=C(C#N)C1(C#N)C#N)C"	0	NA	NA	1	1	"519063"	NA
"681858"	681858	"STL325606"	"CN(C)\N=C\1/CC(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	1	1	"9571539"	NA
"681859"	681859	"4-Ethyl-3-(methylamino)-5-propylcyclopentane-1,1,2,2-tetracarbonitrile"	"CCCC1C(CC)C(NC)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	1	1	"387787"	NA
"681861"	681861	"cyclopentane-1,1-2,2-tetracarbonitrile, 3-methyl- 5-(dim..."	"CC1C\C(=N/N(C)C)\C(C#N)(C#N)C1(C#N)C#N"	0	""	""	2	2	"9556242"	NA
"681863"	681863	"STL321802"	"CC1CC2OC(=N)C1(C#N)C2(C#N)C#N"	0	""	""	1	1	"387791"	NA
"681864"	681864	"NWSIKXMQUQTYMS-UHFFFAOYSA-N"	"CC(C)C1OC(=C(C#N)C1(C#N)C#N)N"	0	""	""	1	1	"387792"	NA
"681865"	681865	"DWWNSYZALARLDF-UHFFFAOYSA-N"	"NC1=C(C#N)C(C#N)(C#N)C(O1)c2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	"387793"	NA
"681866"	681866	"furan-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-n..."	"NC1=C(C#N)C(C#N)(C#N)C(O1)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	2	"387794"	NA
"681879"	681879	"STK761190"	"CC1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3"	0	""	""	1	1	"387807"	NA
"681880"	681880	"SAXXWQJHVLCOKN-UHFFFAOYSA-N"	"CC(C)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3"	0	""	""	1	1	"387808"	NA
"681882"	681882	"STK529743"	"N=C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(O3)c4ccccc4"	0	""	""	1	1	"387810"	NA
"681947"	681947	"Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate"	"CC(C)(C)OC(=O)NCC(=O)NC1[C@H](O)\C(=N/O)\c2sccc12"	0	""	""	1	1	"9571977"	NA
"681952"	681952	""	"CC(C)(C)OC(=O)NCC(=O)NC1C\C(=N/O)\c2sccc12"	0	NA	NA	1	1	"519096"	NA
"681962"	681962	""	"COc1cccc(c1)N=N\C(=N\NC(=O)c2cc(Cl)ccc2O)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519106"	NA
"681966"	681966	""	"Cc1ccc(cc1)N=N\C(=N\NC(=O)c2cc(Cl)ccc2C(=O)c3ccccc3)\c4ccc(cc4C)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519110"	NA
"681967"	681967	""	"Cc1cc(ccc1\C(=N/NC(=O)c2cc(Cl)ccc2C(=O)c3ccccc3)\N=Nc4ccc(cc4)[N+](=O)[O-])N(CCC#N)CCC#N"	0	NA	NA	1	1	"519111"	NA
"681968"	681968	"benzoic acid, [[2-methyl-4-[bis(2-cyanoethyl)amino]pheny..."	"Cc1cc(ccc1\C=N\NC(=O)c2ccccc2)N(CCC#N)CCC#N"	0	""	""	2	2	"9571551"	NA
"681969"	681969	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccccc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519113"	NA
"681970"	681970	""	"Cc1ccc(cc1)N=N\C(=N\NC(=O)c2ccccc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519114"	NA
"681971"	681971	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(Cl)cc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519115"	NA
"681972"	681972	""	"COc1ccc(cc1)N=N\C(=N\NC(=O)c2ccccc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519116"	NA
"681973"	681973	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(cc3)[N+](=O)[O-])N(CCC#N)CCC#N"	0	NA	NA	1	1	"519117"	NA
"681974"	681974	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(cc3)C(=O)O)N(CCC#N)CCC#N"	0	NA	NA	1	1	"519118"	NA
"682002"	682002	"(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate"	"CC(=O)OCC1=CC(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	"387842"	NA
"682008"	682008	"STK110077"	"N#Cc1c2CCCCc2c(N3CCOCC3)n4c5ccccc5nc14"	0	""	""	1	1	"387848"	NA
"682009"	682009	"STK108011"	"Cc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	1	1	"387849"	NA
"682010"	682010	"STK108506"	"Clc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	"387850"	NA
"682011"	682011	"benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 7,8,9,10-..."	"Fc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	"387851"	NA
"682066"	682066	"phosphorus(1+), bis(1,2-ethanediolato-o[5,10,15,20- tetr..."	"OCCO[P+]1(OCCO)N2\C\3=C(/C4=N\C(=C(\c5ccccc5)/c6ccc(\C(=C/7\C=CC(=N7)\C(=C/2\C=C3)\c8ccccc8)\c9ccccc9)n16)\C=C4)\c%10ccccc%10"	0	NA	NA	3	3	"519129"	"141998109"
"682067"	682067	"phosphorus(1+) bis[[2,2'-oxybis(ethanolato)](1-)-o'] [5,..."	"OCCOCCO[P+]1(OCCOCCO)N2\C\3=C(/C4=N\C(=C(\c5ccccc5)/c6ccc(\C(=C/7\C=CC(=N7)\C(=C/2\C=C3)\c8ccccc8)\c9ccccc9)n16)\C=C4)\c%10ccccc%10"	0	NA	NA	2	2	"519130"	"159334675"
"682069"	682069	"6-bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one"	"Clc1ccc(CN2CCc3c([nH]c4ccc(Br)cc34)C2=O)cc1"	0	""	""	1	1	"387858"	NA
"682070"	682070	"S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate"	"NC(=O)SCC(=O)Nc1ccc2cccc3CCc1c23"	0	""	""	1	1	"387859"	NA
"682072"	682072	"2-[(2,4-dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole"	"Clc1ccc(C(OCn2ccnc2)c3nc4ccccc4[nH]3)c(Cl)c1"	0	""	""	1	1	"387861"	NA
"682077"	682077	"1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one hydrochloride"	"CCN(CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1"	0	""	""	1	1	"387868"	NA
"682094"	682094	"quinolinium, 1,1'-(1,10-decanediyl)bis[(2-methyl- 4-(phe..."	"Cc1cc(NCc2ccccc2)c3ccccc3[n+]1CCCCCCCCCC[n+]4c(C)cc(NCc5ccccc5)c6ccccc46"	0	""	""	2	2	"387881"	NA
"682095"	682095	"quinolinium, 1,1'-(1,10-decanediyl)bis[4-(dimethylamino)..."	"CN(C)c1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(N(C)C)c3ccccc23)c4ccccc14"	0	""	""	2	2	"387883"	NA
"682096"	682096	"quinolinium, 4-amino-2-methyl-1-[10-[(2-methyl- 4-quinol..."	"[Cl-].[Cl-].Cc1cc(NCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc23)c4ccccc4n1"	0	""	""	2	2	"387885"	NA
"682097"	682097	"1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]4c(C)cc(N)c5ccccc45)c6ccccc36"	0	""	""	1	1	"387887"	NA
"682098"	682098	"2-Methyl-1-[10-(2-methyl-4-oxo-1-quinolyl)decyl]quinolin-4-one"	"CC1=CC(=O)c2ccccc2N1CCCCCCCCCCN3C(=CC(=O)c4ccccc34)C"	0	""	""	1	1	"387889"	NA
"682127"	682127	"benzene-1,3-bis(ethanedithioic acid), .alpha.,.alpha.'- ..."	"CCC(=O)c1cc(cc(c1)C(=O)C(=S)SC)C(=O)C(=S)SC"	0	""	""	2	2	"387896"	NA
"682128"	682128	"4-[(2E)-2-benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one"	"O=C1N\C(=N/N=C/c2ccccc2)\C(O1)c3ccccc3"	0	""	""	1	1	"135493924"	NA
"682135"	682135	""	"O=C1[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)C(=C1S(=O)(=O)c4ccccc4)CS(=O)(=O)c5ccccc5"	0	NA	NA	1	1	"519167"	NA
"682138"	682138	"1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione"	"Cc1c2C(=O)N(CCCCN3CCN(CC3)c4ccccc4)C(=O)c2c(C)n1c5ccccc5"	0	""	""	1	1	"387906"	NA
"682139"	682139	""	"CCOC(=O)\C=C/[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]2COC(C)(C)O2"	0	NA	NA	1	1	"519171"	NA
"682142"	682142	"3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(cc12)[N+](=O)[O-]"	0	""	""	1	1	"387910"	NA
"682148"	682148	"Methyl isonuapauanoate"	"COC(=O)C(C)C1CCC(C)(CCC2C(=C)CCCC2(C)C)OO1"	0	""	""	2	2	"387914"	NA
"682220"	682220	""	"CC(C)CCC1(O)O[C@H]2C[C@H]3[C@@H]4CCC5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C"	0	NA	NA	1	1	"519178"	NA
"682222"	682222	"4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione"	"CC1(C)CC(O)C2=C(O1)C(=O)c3ncccc3C2=O"	0	""	""	2	1	"387917"	NA
"682223"	682223	"2h-pyrano[3,2-g}quinoline-5,10-dione, 4-hydroxy- 2,2,6-t..."	"Cc1ccnc2C(=O)C3=C(C(O)CC(C)(C)O3)C(=O)c12"	0	""	""	2	1	"387918"	NA
"682225"	682225	"ZB1337"	"CCOC(=O)C1=Nc2cc(Cl)ccc2NC1=O"	0	""	""	1	1	"387920"	NA
"682234"	682234	"1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine"	"O=C(NCCCN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1)Nc4cccc5ccccc45"	0	""	""	1	1	"387929"	NA
"682237"	682237	"3-(1-Naphthyl)-1-[8-(1-naphthylcarbamoylamino)octyl]urea"	"O=C(NCCCCCCCCNC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34"	0	""	""	1	1	"387932"	NA
"682241"	682241	"9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one"	"ClCCOCn1cnc2C(=O)N(C(=S)N(c3ccccc3)c12)c4ccccc4"	0	""	""	1	1	"387936"	NA
"682242"	682242	"6h-purin-6-one, 1,2,3,9-tetrahydro- 9-(tetrahydro-2-pyra..."	"O=C1N(C(=S)N(c2ccccc2)c3c1ncn3C4CCCCO4)c5ccccc5"	0	""	""	4	2	"387937"	NA
"682293"	682293	"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)NCCc2cccc(OCc3ccccc3)c2)cc1"	0	""	""	1	1	"387942"	NA
"682294"	682294	"3-(4-hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide"	"Oc1ccc(CCC(=O)NCCc2cccc(O)c2)cc1"	0	""	""	1	1	"387943"	NA
"682295"	682295	"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide"	"Oc1cccc(CCC(=O)NCCc2cccc(OCc3ccccc3)c2)c1"	0	""	""	3	2	"387944"	NA
"682297"	682297	"quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine- 3,14-d..."	"CC[C@@]1(O)C(=O)N(CCN(C)C)CC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	"440794770"	NA
"682298"	682298	"Camptothecin Derivative"	"CCC1(N)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	"496212"	NA
"682301"	682301	"aniline, 2-bromo-4-(2-benzothiazolyl)-"	"Nc1ccc(cc1Br)c2nc3ccccc3s2"	0	""	""	3	3	"387948"	NA
"682302"	682302	"WCISMKQERHOLSW-UHFFFAOYSA-N"	"Cc1ccc2nc(sc2c1)c3ccc(N)c(Br)c3"	0	""	""	1	1	"387949"	NA
"682303"	682303	"2-(4-amino-3-chlorophenyl)benzothiazole"	"Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	3	3	"387950"	NA
"682306"	682306	"n-[p-[n-(2,4,7-triamino-6-pteriddinylmethyl)-n-methylami..."	"CN(Cc1nc2c(N)nc(N)nc2nc1N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	"387951"	NA
"682307"	682307	"geodiamolide e"	"C[C@@H]1C[C@H](C)\C=C(/C)\CC(C)C(=O)NCC(=O)N(C)C(Cc2ccc(O)c(Br)c2)C(=O)N[C@H](C)C(=O)O1"	0	""	""	2	2	"5469059"	NA
"682308"	682308	"Geodiamolide A"	"CC1CC(C)\C=C(\C)/CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2ccc(O)c(I)c2)C(=O)NC(C)C(=O)O1"	0	""	""	2	2	"5469060"	NA
"682309"	682309	"geodiamolide d"	"CC1CC(C)\C=C(\C)/CC(C)C(=O)NCC(=O)N(C)C(Cc2ccc(O)c(I)c2)C(=O)NC(C)C(=O)O1"	0	""	""	2	2	"5469061"	NA
"682335"	682335	"3-(4-fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide"	"Cc1cc(O)ccc1C2(OC(=O)c3ccccc23)c4ccc(F)cc4"	0	""	""	2	2	"387973"	"148238453"
"682342"	682342	"esulatin a"	"CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)[C@@H]2O[C@H]2[C@@H](C)C(=O)[C@]3(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)C1=C)OC(=O)C"	0	""	""	1	1	"496216"	"188640746"
"682345"	682345	"Aurantimycin B"	"COC[C@@H]1N(O)C(=O)[C@H]2CCCNN2C(=O)[C@@H](NC(=O)[C@@](C)(O)[C@]3(O)CC[C@@H](CC(C)C)[C@H](C)O3)[C@@H](OC(=O)[C@@H](C)N(O)C(=O)[C@@H]4CCC=NN4C(=O)CNC1=O)C(C)C"	0	""	""	2	2	"387979"	NA
"682347"	682347	"Kumusine"	"CC1OC(n2cnc3c(N)nc(Cl)nc23)C(C)(O)C1O"	0	""	""	1	1	"387981"	"164672564"
"682352"	682352	"3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one"	"CN1C(=O)c2ccccc2C(O)(c3ccc(C)cc3)C1(O)c4ccc(C)cc4"	0	""	""	1	1	"387986"	NA
"682353"	682353	"3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one"	"COc1ccc(cc1)C2(O)N(C)C(=O)c3ccccc3C2(O)c4ccc(OC)cc4"	0	""	""	1	1	"387987"	NA
"682358"	682358	"N-[4-(diethylaminomethyl)phenyl]acridin-9-amine"	"CCN(CC)Cc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"387995"	NA
"682359"	682359	"1-pentanol, 5-(9-acridinylamino)-"	"OCCCCCNc1c2ccccc2nc3ccccc13"	0	""	""	2	1	"387996"	NA
"682361"	682361	"N'-acridin-9-yl-N-ethylethane-1,2-diamine"	"CCNCCNc1c2ccccc2nc3ccccc13"	0	""	""	1	1	"387998"	NA
"682363"	682363	"N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	"COc1ccc(CNc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	"388000"	NA
"682365"	682365	"Methyl 4-[3-(2-thienyl)quinoxalin-2-yl]oxybenzoate"	"COC(=O)c1ccc(Oc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	"388002"	NA
"682368"	682368	"3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid"	"COc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1"	0	""	""	1	1	"388005"	NA
"682400"	682400	"(-)7,8-Dihydrocalanolide A"	"CCCC1=CC(=O)Oc2c3[C@H](O)[C@@H](C)[C@H](C)Oc3c4CCC(C)(C)Oc4c12"	0	NA	NA	1	1	"519273"	NA
"682429"	682429	"2-(1-propynyl)-3,17.beta.-estradiol"	"CC#Cc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	2	2	"388008"	NA
"682432"	682432	"methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	"COC(=O)NCCc1n[nH]c2C(=O)C(=CC(=O)c12)Nc3ccccc3"	0	""	""	1	1	"388011"	NA
"682435"	682435	"(4Z)-2-methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one"	"Cc1oc2C(=O)c3ccccc3\C(=N\c4ccccn4)\c2n1"	0	""	""	1	1	"9571984"	NA
"682436"	682436	"naphth[2,3-d]oxazol-9(4h)-one, 4-[(2-aminocyclohexyl) im..."	"Cc1oc2C(=O)c3ccccc3\C(=N\C4CCCCC4N)\c2n1"	0	""	""	2	2	"388014"	NA
"682438"	682438	"TimTec1_007437"	"COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2"	0	""	""	1	1	"135430309"	NA
"682439"	682439	""	"[N-]1C=Nc2[nH]c[n+]3[Au+](S=C1c23)P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"519283"	NA
"682440"	682440	""	"C1CCC(CC1)P([Au+]2S=C3[N-]C=Nc4[nH]c[n+]2c34)(C5CCCCC5)C6CCCCC6"	0	NA	NA	1	1	"519284"	NA
"682441"	682441	"6h-purine-6-thione, 1,9-dihydro-, gold complex"	"CCP(CC)(CC)[Au+]1S=C2[N-]C=Nc3[nH]c[n+]1c23"	0	NA	NA	2	2	"519285"	NA
"682442"	682442	"6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex"	"CCP(CC)(CC)[Au+]1S=C2[N-]C(=Nc3[nH]c[n+]1c23)N"	0	NA	NA	2	2	"519286"	NA
"682443"	682443	"(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=N\O)\C\4=N/N"	0	""	""	1	1	"135509229"	NA
"682444"	682444	"3.beta.-acetoxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@](C)([C@@H](CC#N)[C@@H]3CC=C2C1)c4oc(C)nn4"	0	""	""	1	1	"388019"	NA
"682447"	682447	"3.beta.-acetoxy-16-oxo-17-aza-d-homo-5-androsten-17.alph..."	"CC(=O)N\N=C\1/NC(=O)C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C"	0	""	""	1	1	"135509230"	NA
"682448"	682448	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	"388023"	NA
"682449"	682449	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyet..."	"CC(O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	"388024"	NA
"682450"	682450	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-[1-(acetylox..."	"CC(OC(=O)C)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	"388025"	NA
"682451"	682451	"benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydr..."	"CC(O)c1cc2C(=O)c3scc(C(C)O)c3C(=O)c2s1"	0	""	""	2	2	"388026"	NA
"682452"	682452	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-diacetyl-"	"CC(=O)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(=O)C"	0	""	""	2	2	"388027"	NA
"682453"	682453	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	"388028"	NA
"682455"	682455	"Tetra-p-anisidyl-oxalamidine"	"COc1ccc(N\C(=N/c2ccc(OC)cc2)\C(=N\c3ccc(OC)cc3)\Nc4ccc(OC)cc4)cc1"	0	""	""	1	1	"388030"	NA
"682463"	682463	"thiazolo[4,5-d]pyridazine, 4-chloro-2-phenyl-"	"Clc1nncc2sc(nc12)c3ccccc3"	0	""	""	3	2	"388033"	"164023512"
"682505"	682505	"2,4-diethoxyestra-1,3,5(10)trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c(OCC)c1O"	0	NA	NA	1	1	"519313"	NA
"682506"	682506	"methanone, 3-(chloromethyl)-2,3-dihydro-6-(dimethylamino..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)N(C)C"	0	""	""	2	2	"388045"	NA
"682518"	682518	""	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5nc(Nc6ccc(Cl)c(Cl)c6)nc(Cl)c45)cc1"	0	NA	NA	1	1	"519323"	NA
"682519"	682519	""	"CCCCc1ccc(Nc2nc(OC)c3ncn(C4CC(O)C(CO)O4)c3n2)cc1"	0	NA	NA	1	1	"519324"	NA
"682520"	682520	"9h-purine, 2,6-dibromo-9-[2-deoxy- 3,5-o-bis(4-methylphe..."	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Br)nc(Br)nc45)cc1"	0	""	""	3	2	"388059"	NA
"682522"	682522	"5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol"	"OCC1OC(CC1O)n2cnc3c(Cl)nc(Nc4ccccc4)nc23"	0	""	""	1	1	"388061"	NA
"682534"	682534	"1h-benzimidazole, 5,6-dichloro-2-(tetrahydro- 2-pyranyl)..."	"Clc1cc2nc([nH]c2cc1Cl)C3CCCCO3"	0	NA	NA	2	2	"519335"	NA
"682535"	682535	"5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole"	"Clc1cc2ncn(C3CCCCO3)c2cc1Cl"	0	""	""	1	1	"388072"	NA
"682546"	682546	"1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole"	"ClC(Cl)(Cl)C1CCOC1n2nnc3ccccc23"	0	""	""	1	1	"388083"	NA
"682561"	682561	"Cardenolide 2"	"CC1OC(CC(O)C1O)O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](CC[C@]5(O)[C@@H]4C=C[C@]3(O)C2)C6=CC(=O)OC6"	0	""	""	2	1	"388098"	NA
"682562"	682562	"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one"	"COc1ccc(cc1OC)C2=C(Cl)c3cc(OC)c(OC)cc3C2=O"	0	""	""	1	1	"388099"	NA
"682563"	682563	"(4Z)-4-(1,3-benzodioxol-5-ylmethylene)isoquinoline-1,3-dione"	"O=C1NC(=O)c2ccccc2/C/1=C/c3ccc4OCOc4c3"	0	""	""	1	1	"5469072"	NA
"682566"	682566	"Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate"	"COc1ccc(\C=C(/C(=O)OCC=C)\c2ccc(OC)c(OC)c2)cc1OC"	0	""	""	1	1	"5469073"	NA
"682571"	682571	"3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone"	"Cc1ccc(C(=O)\C=C/2\Nc3ccccc3NC2=O)c(C)c1"	0	""	""	2	1	"135403092"	NA
"682572"	682572	"STK526298"	"O\C(=C/C(=O)c1ccc(Cl)cc1)\C(=O)NN=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	"5466242"	NA
"682573"	682573	"STL356502"	"O=C(Cc1ccccc1)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	"388108"	NA
"682575"	682575	"acetic acid, (1-acetyl-2,3-dihydro-2-oxo- 3-indolylidene..."	"COC(=O)\C=C\1/C(=O)N(C(=O)C)c2ccccc12"	0	""	""	2	2	"5411409"	NA
"682576"	682576	"(3Z)-1-acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one"	"CC(=O)N1C(=O)\C(=C/C(=O)c2ccc(Cl)cc2)\c3ccccc13"	0	""	""	2	1	"5469074"	NA
"682577"	682577	"SMSF0005277"	"CC(=O)N1C(=O)\C(=C/C(=O)c2ccc(cc2)[N+](=O)[O-])\c3ccccc13"	0	""	""	1	1	"2274420"	NA
"682582"	682582	"STL151178"	"[O-][N+](=O)c1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)\Nc2c1"	0	""	""	1	1	"135403094"	NA
"682583"	682583	"CBDivE_014984"	"[O-][N+](=O)c1ccc2N\C(=C\C(=O)c3ccc(Cl)cc3)\C(=C/C(=O)c4ccc(Cl)cc4)\Nc2c1"	0	""	""	1	1	"135489835"	NA
"682597"	682597	"2-ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol hydr..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\N)\c2cc1O"	0	NA	NA	2	2	"519392"	NA
"682623"	682623	"N-(4-aminobutyldiazenyl)-4-methylaniline"	"Cc1ccc(cc1)N=NNCCCCN"	0	""	""	1	1	"388133"	NA
"682689"	682689	"2,4,16-tribromoestra-1,3,5(10)-trien-3-ol-17-one"	"C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(O)c(Br)cc34)[C@@H]1CC(Br)C2=O"	0	NA	NA	1	1	"519400"	NA
"682697"	682697	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)OCC2OC(CC2N=[N+]=[N-])N3C=C(C)C(=O)NC3=O"	0	NA	NA	1	1	"519408"	NA
"682719"	682719	"(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid"	"COC1=C(Oc2c(CC(=O)O)cccc2C1=O)c3ccc(OC)cc3"	0	""	""	1	1	"388155"	NA
"682720"	682720	"2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid"	"COC1=C(Oc2c(CC(=O)O)cccc2C1=O)c3cccs3"	0	""	""	1	1	"388156"	NA
"682721"	682721	"8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one"	"COC1=C(Oc2c(CP(=O)(OC)OC)cccc2C1=O)c3ccccc3"	0	""	""	1	1	"388157"	NA
"682744"	682744	"4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione"	"CCC(=O)N1NC(=O)C(CC)(CC)C1=O"	0	""	""	1	1	"388179"	NA
"682746"	682746	"1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione"	"CCC1(CC)C(=O)NN(C(=O)c2ccc(Cl)cc2)C1=O"	0	""	""	1	1	"388181"	NA
"682750"	682750	"1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione"	"CCC1(CC)C(=O)N(N(C(=O)c2ccc(Cl)cc2)C1=O)C(=O)c3ccccc3"	0	""	""	1	1	"388185"	NA
"682751"	682751	"1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione"	"CCC1(CC)C(=O)N(N(C(=O)c2ccccc2Cl)C1=O)C(=O)c3ccc(Cl)cc3"	0	""	""	1	1	"388186"	NA
"682756"	682756	"spiro[4h-1-benzazepine-4,1'-cyclohexane]-2,5(1h,3h)-dion..."	"OC1(CCC2(CC1C(=O)c3ccc(Cl)cc3)CC(=O)Nc4ccccc4C2=O)c5ccc(Cl)cc5"	0	""	""	2	2	"388188"	NA
"682758"	682758	"1'-Hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"COc1ccc(cc1)C(=O)C2CC3(CCC2(O)c4ccc(OC)cc4)CC(=O)Nc5ccccc5C3=O"	0	""	""	1	1	"388190"	NA
"682761"	682761	"spiro[4h-1-benzazepine-4,1'-cyclohexane]-2,5(1h,3h)-dion..."	"Cc1ccc(cc1)C(=O)C2CC3(CCC2(O)c4ccc(C)cc4)CC(=O)Nc5ccccc5C3=O"	0	""	""	1	1	"388193"	"190334453"
"682762"	682762	"1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"OC1(CCC2(CC1C(=O)c3ccc4ccccc4c3)CC(=O)Nc5ccccc5C2=O)c6ccc7ccccc7c6"	0	""	""	1	1	"388194"	NA
"682763"	682763	"1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"OC1(CCC2(CC1C(=O)c3cccc4ccccc34)CC(=O)Nc5ccccc5C2=O)c6cccc7ccccc67"	0	""	""	1	1	"388195"	NA
"682764"	682764	"pyrido[3,2-d][1]benzazepin-6-one, 4-(4-chlorophenyl)-2-p..."	"Clc1ccc(cc1)c2cc(nc3c2CC(=O)Nc4ccccc34)c5ccccc5"	0	""	""	2	1	"388196"	NA
"682765"	682765	"5h-pyrido[3,2-d][2]benzazepin-6(7h)-one, 2-(4-chlorophen..."	"Clc1ccc(cc1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	1	"388197"	NA
"682766"	682766	"2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"COc1ccc(cc1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	1	1	"388198"	NA
"682767"	682767	"2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccccc4)c5cccs5"	0	""	""	1	1	"388199"	NA
"682768"	682768	"2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccc5ccccc5c4)c6ccccc6"	0	""	""	1	1	"388200"	NA
"682769"	682769	"5h-pyrido[3,2-d][2]benzazepin-6(7h)-one, 4-(3,4-dimethox..."	"COc1ccc(cc1OC)c2cc(nc3c2CC(=O)Nc4ccccc34)c5ccccc5"	0	""	""	2	2	"388201"	NA
"682770"	682770	"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione"	"Clc1ccc(cc1)c2cc(nc3c2CC(=S)Nc4ccccc34)c5ccccc5"	0	""	""	1	1	"3005206"	NA
"682771"	682771	"5h-pyrido[3,2-d][2]benzazepin-6(7h)-thione, 2-(4-chlorop..."	"Clc1ccc(cc1)c2cc(c3CC(=S)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	"3005207"	NA
"682789"	682789	"4-methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline"	"Cc1ccc(cc1)N=NNCCCCNN=Nc2ccc(C)cc2"	0	""	""	1	1	"388204"	NA
"682803"	682803	"1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1O[Si](C)(C)C(C)(C)C)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"388209"	NA
"682809"	682809	"tetraoxo[?]dione"	"O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C4=C1CC5=C(C4)CS(=O)(=O)C5"	0	""	""	3	2	"388215"	NA
"682813"	682813	"1-Amino-3-(2-chloroethyl)-1-methyl-urea"	"CN(N)C(=O)NCCCl"	0	""	""	1	1	"388219"	NA
"682814"	682814	""	"Cc1cn2cc(nc2s1)c3cccs3"	0	NA	NA	2	1	"519492"	NA
"682815"	682815	"12h-7,11-nitrilo-6h,20h-dibenzo[b,m][1,15,5,8,11] dioxat..."	"C1C\N=C\c2ccccc2OCc3cccc(COc4ccccc4\C=N\CCN1)n3"	0	""	""	2	2	"388222"	"146065614"
"682816"	682816	"10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene"	"C1Oc2ccccc2\C=N\c3ccc(cc3)\N=C\c4ccccc4OCc5cccc1n5"	0	""	""	1	1	"388223"	NA
"682817"	682817	"7,10:11,14-dietheno-28h-23,27-nitrilo-22h-dibenzo[b,p] [..."	"C1Oc2ccccc2\C=N\c3ccc(cc3)c4ccc(cc4)\N=C\c5ccccc5OCc6cccc1n6"	0	""	""	2	2	"388224"	NA
"682821"	682821	"propanimidoyl chloride, 2-methyl-n-[[[(3-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1cccc(C)c1)\Cl"	0	""	""	2	2	"9556244"	NA
"682822"	682822	"propanimidoyl chloride, 2-methyl-n-[[[(2-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1ccccc1C)\Cl"	0	""	""	2	2	"9556245"	NA
"682823"	682823	"propanimidoyl chloride, n-[[[(3,4-dichlorophenyl)amino] ..."	"CC(C)\C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)\Cl"	0	""	""	2	2	"9556246"	NA
"682824"	682824	"propanimidoyl chloride, n-[[[(3-chloro-4-fluorophenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1ccc(F)c(Cl)c1)\Cl"	0	""	""	2	2	"9556247"	NA
"682825"	682825	"propanimidoyl chloride, n-[[[(4-bromophenyl)amino] carbo..."	"CC(C)\C(=N\OC(=O)Nc1ccc(Br)cc1)\Cl"	0	""	""	2	2	"9556248"	NA
"682826"	682826	"propanimidoyl chloride, n-[[[(4-methoxy-3-methylphenyl) ..."	"CC\C(=N/OC(=O)Nc1ccc(OC)c(C)c1)\Cl"	0	NA	NA	2	2	"519504"	NA
"682827"	682827	"propanimidoyl chloride, 2-methyl- n-[[[[3-(trifluorometh..."	"CC(C)\C(=N\OC(=O)Nc1cccc(c1)C(F)(F)F)\Cl"	0	""	""	2	2	"9556250"	NA
"682828"	682828	"butanimidoyl chloride, n-[[[(4-fluorophenyl)amino] carbo..."	"CCC\C(=N/OC(=O)Nc1ccc(F)cc1)\Cl"	0	NA	NA	2	2	"519506"	NA
"682829"	682829	"propanimidoyl chloride, 2-methyl-n-[[[[4-(methoxy- carbo..."	"COC(=O)c1ccc(NC(=O)O\N=C(/Cl)\C(C)C)cc1"	0	""	""	2	2	"9556252"	NA
"682830"	682830	"ethanimidoyl chloride, n-[[[[4-(aminosulfonyl)- 3-methyl..."	"C\C(=N\OC(=O)Nc1ccc(c(C)c1)S(=O)(=O)N)\Cl"	0	""	""	2	2	"5790897"	NA
"682831"	682831	"butanimidoyl chloride, n-[[[(3-fluorophenyl)amino] carbo..."	"CCC\C(=N\OC(=O)Nc1cccc(F)c1)\Cl"	0	""	""	2	2	"9556253"	NA
"682833"	682833	"propanimidoyl chloride, n-[[[(4-methoxyphenyl)amino] car..."	"CC\C(=N/OC(=O)Nc1ccc(OC)cc1)\Cl"	0	NA	NA	2	2	"519511"	NA
"682834"	682834	"propanimidoyl chloride, n-[[[(2,4-difluorophenyl)amino] ..."	"CC\C(=N/OC(=O)Nc1ccc(F)cc1F)\Cl"	0	NA	NA	2	2	"519512"	NA
"682835"	682835	"propanimidoyl chloride, n-[[[(5-fluoro-2-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1cc(F)ccc1C)\Cl"	0	""	""	2	2	"9556257"	NA
"682836"	682836	"propanimidoyl chloride, n-[[[[2-(trifluoromethoxy)phenyl..."	"CC\C(=N/OC(=O)Nc1ccccc1OC(F)(F)F)\Cl"	0	NA	NA	2	2	"519514"	NA
"682838"	682838	"propanimidoyl chloride, n-[[[(5-chloro-2-methoxyphenyl) ..."	"COc1ccc(Cl)cc1NC(=O)O\N=C(/Cl)\C(C)C"	0	""	""	2	2	"9556260"	NA
"682839"	682839	"propanimidoyl chloride, n-[[[[2-methoxy- 5-(trifluoromet..."	"COc1ccc(cc1NC(=O)O\N=C(\Cl)/C(C)C)C(F)(F)F"	0	NA	NA	2	2	"519517"	NA
"682840"	682840	"butanimidoyl chloride, n-[[[[4-(trifluoromethoxy)phenyl]..."	"CCC\C(=N/OC(=O)Nc1ccc(OC(F)(F)F)cc1)\Cl"	0	NA	NA	2	2	"519518"	NA
"682841"	682841	""	"CC(C)\C(=N/OC(=O)NNc1ccccc1)\Cl"	0	NA	NA	2	2	"519519"	NA
"682860"	682860	"[1]benzopyrano[3,4-c]pyrazole, 3-(4-chlorophenyl)- 2,3-d..."	"Clc1ccc(cc1)C2NN=C3C2COc4ccccc34"	0	""	""	2	1	"388249"	NA
"682861"	682861	"[1]benzopyrano[3,4-c]pyrazole, 3-(4-chlorophenyl)- 2,3-d..."	"Clc1ccc(cc1)C2C3COc4ccccc4C3=NN2c5ccccc5"	0	""	""	2	2	"388250"	NA
"682864"	682864	"4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine"	"NC1NC2=C(CCc3ccccc23)C(=N1)c4ccc(Cl)cc4"	0	""	""	2	2	"388253"	NA
"682866"	682866	"ethanone, 1-[7-(4-chlorophenyl)-5,6-dihydro-9-methyl- 7h..."	"CC(=O)C1=C(C)N2C(C3=C(N=C2S1)c4ccccc4CC3)c5ccc(Cl)cc5"	0	""	""	2	2	"388255"	NA
"682868"	682868	"1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone"	"COc1ccc(cc1)C2N3C(=C(SC3=NC4=C2CCc5ccccc45)C(=O)C)C"	0	""	""	1	1	"388257"	NA
"682869"	682869	"1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone"	"CC(=O)C1=C(C)N2C(C3=C(N=C2S1)c4ccccc4CC3)c5ccc(F)cc5"	0	""	""	1	1	"388258"	NA
"682881"	682881	"Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate"	"CCOC(=O)N1CCN(CC1)C2=C(C#N)C(=S)N(C(=N2)C)c3ccccc3"	0	""	""	2	1	"388267"	NA
"682915"	682915	"4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one"	"Nc1nc(N)c2Cc3c(C(=O)Nc2n1)n(Cc4ccc(Cl)cc4)c5ccccc35"	0	""	""	1	1	"388274"	NA
"682923"	682923	"Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate"	"CCOC(=O)c1cnccc1CC2(C#N)N(C=Cc3ccccc23)C(=O)c4ccccc4"	0	""	""	1	1	"388283"	NA
"682924"	682924	"8H-Isoquino[2,1-b][2,7]naphthyridin-8-one"	"O=C1N2C=Cc3ccccc3C2=Cc4ccncc14"	0	""	""	1	1	"388284"	NA
"682931"	682931	"diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate"	"CCOC(=O)C1=NN(c2ccc(cc2)[N+](=O)[O-])[C@@]3(C)C[C@@]4(N(N=C(N4c5ccccc5N13)C(=O)OCC)c6ccc(cc6)[N+](=O)[O-])c7ccccc7"	0	""	""	1	1	"388290"	NA
"682932"	682932	"3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one"	"COc1ccc(cc1)c2cc(cc(n2)C3=Cc4ccccc4OC3=O)c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	"388291"	NA
"682990"	682990	"Withafastuosin D diacetate"	"CC(=O)OC[C@H]([C@H]1CC(=C(COC(=O)C)C(=O)O1)C)C2CCC3C4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)C4CC[C@]23C"	0	NA	NA	2	2	"519570"	NA
"682991"	682991	"benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2,6-dinitro-"	"[O-][N+](=O)c1cc2C(=O)c3sc(cc3C(=O)c2s1)[N+](=O)[O-]"	0	""	""	2	2	"388301"	NA
"682993"	682993	"benzo[1,2-b:4,5-b']dithiophene-4,8-diol, dipropionate"	"CCC(=O)Oc1c2ccsc2c(OC(=O)CC)c3ccsc13"	0	""	""	2	2	"388303"	NA
"682994"	682994	"benzo[1,2-b:4,5-b']dithiophene-4,8-diol,diester with but..."	"CCCC(=O)Oc1c2ccsc2c(OC(=O)CCC)c3ccsc13"	0	""	""	5	4	"388304"	NA
"682995"	682995	"5,8-Quinolinedione, 2-methyl-"	"Cc1ccc2C(=O)C=CC(=O)c2n1"	0	""	""	2	2	"388305"	NA
"682996"	682996	"AK136303"	"O=C1C=CC(=O)c2ncccc12"	0	""	""	2	2	"388306"	NA
"682997"	682997	"2,8-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3ccc(C)nc3C(=O)c2c1"	0	""	""	1	1	"388307"	NA
"682998"	682998	"2,7-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3nc(C)ccc3C(=O)c2c1"	0	""	""	1	1	"388308"	NA
"683039"	683039	"ERB-38 Immunotoxin"	NA	0	NA	NA	2	2	"519579"	NA
"683041"	683041	"5-Hexenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside"	"CC(=O)OCC1OC(OCCCCC=C)C=CC1OC(=O)C"	0	""	""	1	1	"388309"	NA
"683042"	683042	"10-Undecenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside"	"CC(=O)OCC1OC(OCCCCCCCCCC=C)C=CC1OC(=O)C"	0	""	""	1	1	"388310"	NA
"683048"	683048	"2,5,12-Trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate"	"Cc1c2Oc3ccccc3Oc2c(C)c4c[n+](C)ccc14"	0	""	""	2	2	"388316"	NA
"683050"	683050	"(2,6-difluorophenyl)[?]"	"Fc1cccc(F)c1C2SCc3nc4cc5ccccc5cc4n23"	0	""	""	1	1	"388318"	NA
"683056"	683056	"2,5a-Dihydroxychromeno[2,3-b]chromen-12-one"	"Oc1ccc2OC3(O)Oc4ccccc4C=C3C(=O)c2c1"	0	""	""	1	1	"388321"	NA
"683061"	683061	"Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2cc(ccc2nc1Nc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	"388326"	NA
"683062"	683062	"3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid"	"COc1ccc(Nc2nc3ccc(cc3nc2C(=O)O)C(F)(F)F)cc1"	0	""	""	1	1	"388327"	NA
"683069"	683069	"2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine"	"COc1cc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	2	"388334"	NA
"683086"	683086	"boronic acid, [3-methyl-1-[[1-oxo-4-phenyl- 2-[[(2-quino..."	"CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc3ccccc3n2)B(O)O"	0	""	""	2	2	"388335"	NA
"683125"	683125	"2-ethoxy-6-(o-methyl)hydroxyiminoestra-1,3,5(10)-trien-3..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\OC)\c2cc1O"	0	NA	NA	3	2	"519609"	NA
"683140"	683140	""	"OCC(O)C(O)C(O)C(O)C(=O)NCCNc1ccc(NCCNC(=O)C(O)C(O)C(O)C(O)CO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	NA	NA	2	2	"582244"	NA
"683201"	683201	"17-demethoxy-17-n-allyamino-geldanamycin 11-(4'-aminobut..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1OC(=O)CCCN)\C)\C)C2=O"	0	""	""	2	1	"5469101"	NA
"683238"	683238	"2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide"	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN"	0	""	""	1	1	"388354"	NA
"683239"	683239	"2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide"	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)NNc2ccccc2)C(=O)NNc3ccccc3"	0	""	""	1	1	"388355"	NA
"683246"	683246	"(r,s)-roscovitine"	"CCC(CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1"	0	""	""	2	1	"5097"	NA
"683247"	683247	"acridine-4-carboxamide, 9-amino-5-methyl- n-[2-(dimethyl..."	"CN(C)CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12"	0	NA	NA	2	2	"519632"	NA
"683252"	683252	"(2-nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"[O-][N+](=O)c1ccccc1COC(=O)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26"	0	""	""	1	1	"5469103"	NA
"683253"	683253	"(4-nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"[O-][N+](=O)c1ccc(COC(=O)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26)cc1"	0	""	""	1	1	"5469104"	NA
"683256"	683256	"1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea"	"[O-][N+](=O)C(F)(CCNC(=O)NCCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"388361"	NA
"683257"	683257	"Neuro_000419"	"[O-][N+](=O)C(F)(CN(COCN(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	3	2	"388362"	NA
"683258"	683258	"1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-"	"[O-][N+](=O)C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"388363"	NA
"683259"	683259	"(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate"	"[O-][N+](=O)C(F)(CCOC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"388364"	NA
"683260"	683260	"3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol"	"OCC(O)COCC(F)([N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	"388365"	NA
"683270"	683270	""	"[Na+].NC(Cc1ccc(cc1)S(=O)(=O)O)C(=O)NC(Cc2ccc(cc2)S(=O)(=O)O)C(=O)O"	0	NA	NA	1	1	"519650"	NA
"683272"	683272	""	"[Na+].NC(Cc1ccc(cc1)S(=O)(=O)O)C(=O)NC(Cc2ccc(cc2)S(=O)(=O)O)C(=O)NC(Cc3ccc(cc3)S(=O)(=O)O)C(=O)NC(Cc4ccc(cc4)S(=O)(=O)O)C(=O)O"	0	NA	NA	1	1	"519652"	NA
"683288"	683288	""	"Cc1ccc(CC2=NNC(=O)N2\N=C/CC\C=N\N3C(=O)NN=C3Cc4ccc(C)cc4)cc1"	0	NA	NA	1	1	"519667"	NA
"683289"	683289	""	"Clc1ccc(CC2=NNC(=O)N2\N=C/CC\C=N\N3C(=O)NN=C3Cc4ccc(Cl)cc4)cc1"	0	NA	NA	2	2	"519668"	NA
"683326"	683326	"N-[6,7-dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine"	"O\N=C/1\C(\Nc2c(OCc3c(COc4c(N1)cccc4)cc(Br)c(Br)c3)cccc2)=N\O"	0	""	""	2	2	"135406861"	NA
"683328"	683328	"LS-123342"	"COc1ccc2nc(NC(=O)\C(=C\c3ccccc3)\C#N)sc2c1"	0	""	""	2	1	"5469111"	NA
"683330"	683330	"2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one"	"NC1=NC(=C(N)C(=O)N1)NCCOCP(=O)(O)O"	0	""	""	2	1	"135484993"	NA
"683332"	683332	"spiro[2a,8a-epoxyanthra[2,3-b]oxirene- 2-(1ah),2'-naphth..."	"O[C@H]1[C@H]2O[C@H]2C3(Oc4cccc5cccc(O3)c45)[C@@]67O[C@@]16C(=O)c8ccccc8C7=O"	0	NA	NA	2	2	"519685"	NA
"683334"	683334	"pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile, 8-ch..."	"[O-][n+]1nc2c(cnn2c3cc(Cl)ccc13)C#N"	0	""	""	2	2	"388426"	NA
"683339"	683339	"LS-134106"	"CCOC(=O)c1cc(C)nc2N(CCCCN3CCN(CC3)c4ccccc4)C(=O)N(C(=O)c12)c5ccccc5"	0	""	""	1	1	"388430"	NA
"683365"	683365	"9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one"	"COc1cc(OC)c2c(O)c3C(=O)CC(C)(C)Cc3cc2c1"	0	""	""	2	1	"388439"	NA
"683374"	683374	"1-Benzoyl-3-nitroso-3-methylguanidine"	"CN(N=O)C(=N)NC(=O)c1ccccc1"	0	""	""	1	1	"388447"	NA
"683384"	683384	"4-methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one"	"CC1CC(=O)Nc2nc3ccccc3n12"	0	""	""	1	1	"388454"	NA
"683389"	683389	"2,4,4-trimethyl-3H-pyrimido[1,2-a]benzimidazole"	"CC1=Nc2nc3ccccc3n2C(C)(C)C1"	0	""	""	1	1	"388459"	NA
"683398"	683398	"1h-benz[g]indole-2,3-dimethanol, (1-methylethyl)carbamat..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3ccccc23"	0	""	""	2	2	"388462"	NA
"683399"	683399	"[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3cc(Cl)c(Cl)cc23"	0	""	""	1	1	"388463"	NA
"683402"	683402	"[2-(isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate"	"COc1ccc2c(ccc3c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n(C)c23)c1"	0	""	""	1	1	"388466"	NA
"683403"	683403	"[2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate"	"Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC3CCCCC3)c4ccc5ccccc5c14"	0	""	""	1	1	"388467"	NA
"683404"	683404	"[7,8-Dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methylbenzo[g]indol-3-yl]methyl N-cyclohexylcarbamate"	"Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC3CCCCC3)c4ccc5cc(Cl)c(Cl)cc5c14"	0	""	""	1	1	"388468"	NA
"683405"	683405	"[7,8-dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate"	"Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc3ccccc3)c4ccc5cc(Cl)c(Cl)cc5c14"	0	""	""	1	1	"388469"	NA
"683410"	683410	"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate"	"CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5cccc6C(=O)c7ccccc7Nc56"	0	""	""	1	1	"388470"	NA
"683414"	683414	"N-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(cn5C)[N+](=O)[O-])cc4)c6cc7OCOc7cc26"	0	""	""	2	2	"5469120"	NA
"683415"	683415	"N-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(cn5C)[N+](=O)[O-])cc4)c6cc7OCOc7cc26"	0	""	""	2	2	"5469121"	NA
"683416"	683416	"1h-pyrrole-2-carboxamide, n-[2-[[[4-[[5,5a,6,8,8a,9-hexa..."	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(NC(=O)c6cc(cn6C)[N+](=O)[O-])cn5C)cc4)c7cc8OCOc8cc27"	0	""	""	2	2	"5469122"	NA
"683440"	683440	"4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol"	"C[N+]1([O-])CCC(O)(CC1)C2CC2"	0	""	""	1	1	"388485"	NA
"683478"	683478	"4-{[6-(2-Fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoic acid"	"OC(=O)CCCOc1cc(nc2cc3OCOc3cc12)c4ccccc4F"	0	""	""	1	1	"388495"	NA
"683479"	683479	"Ethyl 4-{[6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoate"	"CCOC(=O)CCCOc1cc(nc2cc3OCOc3cc12)c4ccccc4F"	0	""	""	1	1	"388496"	NA
"683481"	683481	"Entilin A"	"CC(C)[C@@]12C[C@@H]3[C@@](C)(C[C@@]4(O)C[C@@]35O[C@]6(O)C(=CC(C)(C)[C@@H](O4)[C@]6(O)[C@H]5O1)C)[C@@H](O2)c7cocc7"	0	NA	NA	1	1	"519760"	NA
"683483"	683483	"butanedial, 2-[2-[octahydro-5,5,8a-trimethylspiro[naphth..."	"CC1(C)CCC[C@@]2(C)C1CC[C@@]3(CO3)[C@@H]2\C=C/C(CC=O)C=O"	0	NA	NA	2	1	"519762"	NA
"683497"	683497	"15-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-12-one"	"Clc1ccc2c(c1)C(=O)N3CSCC3c4nncn24"	0	""	""	1	1	"388513"	NA
"683507"	683507	"3-Phenylthieno[2,3-b]pyrrolizin-8-one"	"O=C1c2cccn2c3c(csc13)c4ccccc4"	0	""	""	1	1	"388523"	NA
"683508"	683508	"3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Fc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	1	1	"388524"	NA
"683509"	683509	"3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Clc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	1	1	"388525"	NA
"683510"	683510	"2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Fc1ccc(cc1)c2cc3c(s2)C(=O)c4cccn34"	0	""	""	1	1	"388526"	NA
"683513"	683513	""	"Cc1sc2c(\C(=N/O)\c3cccn23)c1C"	0	NA	NA	1	1	"519790"	NA
"683515"	683515	""	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccccc5)c24"	0	NA	NA	1	1	"519792"	NA
"683516"	683516	""	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccc(F)cc5)c24"	0	NA	NA	1	1	"519793"	NA
"683517"	683517	"8h-thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methy..."	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccc(Br)cc5)c24"	0	""	""	2	2	"388536"	NA
"683518"	683518	""	"COc1ccc(cc1)c2csc3C(N4CCCC4)C5=CC=C[N+]5(C)c23"	0	NA	NA	1	1	"519795"	NA
"683555"	683555	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N/c5ccc(N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)cc5)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	"388554"	NA
"683556"	683556	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N/c5ccc(N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)cc5)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	"388555"	NA
"683557"	683557	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\c5ccccc5N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	"388556"	NA
"683558"	683558	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\c5ccccc5N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	"388557"	NA
"683564"	683564	"2-butenoic acid, 4,4-dicyano-4-[[(3-thienyl)methylene]am..."	"COC(=O)\C=C/C(\N=C\c1ccsc1)(C#N)C#N"	0	NA	NA	2	2	"519833"	NA
"683566"	683566	""	"CO\C(=C(\N=C\c1ccc2ccccc2c1)/C#N)\N"	0	NA	NA	1	1	"519835"	NA
"683582"	683582	"(5R,8aR,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)c6occc6)c7cc8OCOc8cc27"	0	""	""	2	2	"388571"	NA
"683583"	683583	"(5R,8aR,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)C(C)C)c6cc7OCOc7cc26"	0	""	""	2	1	"388572"	NA
"683584"	683584	"(5R,8aR,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)C(C)C)c6cc7OCOc7cc26"	0	""	""	1	1	"388573"	NA
"683592"	683592	"STK701172"	"CN(C)N=Nc1nc2N(C)C(=O)N(C)C(=O)c2n1C"	0	""	""	1	1	"5469134"	NA
"683605"	683605	""	"NC(=O)c1nc[nH]c1N\N=C(\C#N)/C(=O)Nc2ccccc2"	0	NA	NA	1	1	"519865"	NA
"683608"	683608	""	"Cc1ccccc1NC(=O)\C(=N/Nc2[nH]cnc2C(=O)N)\C#N"	0	NA	NA	1	1	"519868"	NA
"683614"	683614	"3-[Methyl-(4-nitrophenyl)azo-amino]-1-phenyl-butan-2-ol"	"CC(C(O)Cc1ccccc1)N(C)N=Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"388606"	NA
"683627"	683627	"3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenylpyridin-2-amine"	"Nc1nc(cc(c2ccc(F)cc2)c1c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	"388616"	NA
"683628"	683628	"3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine"	"COc1ccc(cc1)c2cc(nc(N)c2c3ccc(F)cc3)c4ccncc4"	0	""	""	1	1	"388617"	NA
"683631"	683631	""	"CN(C)CCNc1ncnc2nc(c3ccccc3)c(nc12)c4ccccc4"	0	NA	NA	1	1	"519888"	NA
"683633"	683633	""	"CN(C)CCNc1nc(nc2[nH]cnc12)c3ccc4ccccc4c3"	0	NA	NA	1	1	"582255"	NA
"683637"	683637	"4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol"	"Oc1ccc(cc1O)c2nc(c3cccnc3)c([nH]2)c4ccc(Cl)cc4"	0	""	""	1	1	"388626"	NA
"683638"	683638	"6'-phenyl-4,2':4',4''-terpyridine"	"c1ccc(cc1)c2cc(cc(n2)c3ccncc3)c4ccncc4"	0	""	""	1	1	"388627"	NA
"683640"	683640	"4-(4-Methoxyphenyl)-3-naphthalen-2-yl-6-phenylpyridin-2-amine"	"COc1ccc(cc1)c2cc(nc(N)c2c3ccc4ccccc4c3)c5ccccc5"	0	""	""	1	1	"388629"	NA
"683641"	683641	"2-Amino-3-(4-chlorophenyl)-4-fluoronaphthalene-1-carbonitrile"	"Nc1c(C#N)c2ccccc2c(F)c1c3ccc(Cl)cc3"	0	""	""	1	1	"388630"	NA
"683643"	683643	"6-amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione"	"COc1ccc(CC2=C(N)NC(=O)N(C)C2=O)cc1"	0	""	""	1	1	"388631"	NA
"683648"	683648	"Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-"	"Clc1ccc(cc1)N=NC2=CC(=O)NC(=O)N2"	0	""	""	3	2	"388636"	NA
"683656"	683656	"N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine"	"Nc1nc(NCc2ccccc2)cc(NCc3ccccc3)n1"	0	""	""	1	1	"388644"	NA
"683659"	683659	"2-azabicyclo[16.3.1]docos-1(21),4,6,10,18-pentaen- 3,20,..."	"CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	""	""	2	2	"5469144"	NA
"683661"	683661	"2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CN)\C)\C)C2=O"	0	""	""	2	2	"5469145"	NA
"683662"	683662	"2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CN(C)C)\C)\C)C2=O"	0	""	""	2	2	"5469147"	NA
"683663"	683663	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate;hydrochloride"	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCN)\C)\C)C2=O"	0	""	""	1	1	"5469149"	NA
"683664"	683664	"2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCN(C)C)\C)\C)C2=O"	0	""	""	2	2	"5469151"	NA
"683666"	683666	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate;hydrochloride"	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCCCN)\C)\C)C2=O"	0	""	""	1	1	"5469153"	NA
"683682"	683682	"2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride"	"C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4c(O)ccc(O)c4C(=O)c13)Cc5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"388664"	NA
"683683"	683683	""	"CN(C)CCNc1ccc(NCC[N+](C)(C)Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4c(O)ccc(O)c4C(=O)c13"	0	NA	NA	1	1	"519925"	NA
"683688"	683688	"estra-1,3,5(10)-triene-3,6,17.beta.-triol, 2-ethoxy-"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(O)c2cc1O"	0	NA	NA	2	2	"519930"	NA
"683690"	683690	"Dichapetalin A"	"C\C(=C/[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23C=C[C@@H]5[C@@]6(C)CC=C7C[C@H](OC[C@]7(C)[C@@H]6C[C@@H](O)[C@@]45C)c8ccccc8)C(=O)O1)\CO"	0	NA	NA	2	2	"519931"	NA
"683692"	683692	"glutamamide, n-acetyl-1-o-(phenylmethyl)-.alpha.-muramoy..."	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	NA	NA	2	2	"519933"	NA
"683694"	683694	"2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide"	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(C)(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCNC3c4ccccc4Nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"388676"	NA
"683695"	683695	"2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide"	"CC(NC(=O)COC1C(O)C(CO)OC(C)(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"388677"	NA
"683746"	683746	"N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	"O=C1NC(=O)\C(=C\c2ccc(cc2)S(=O)(=O)N\N=C\c3ccccc3)\N1"	0	""	""	1	1	"9571571"	NA
"683747"	683747	"N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	"CN1C(=O)N\C(=C/c2ccc(cc2)S(=O)(=O)N\N=C\c3ccccc3)\C1=O"	0	""	""	1	1	"9571572"	NA
"683762"	683762	""	"CN1C(=O)N\C(=C/c2ccc(cc2)S(=O)(=O)N(\N=C/C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)C)C(=O)C)\C1=O"	0	NA	NA	1	1	"519974"	NA
"683764"	683764	"[(5E)-5-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4-triacetyloxypentyl] acetate"	"CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)\C=N\N(C(=O)C)S(=O)(=O)c1ccc(\C=C\2/NC(=O)NC2=O)cc1"	0	""	""	1	1	"9579059"	NA
"683766"	683766	"benzoic acid, 4-[[(2-bromi-3,6-dioxo-1,4-cyclohexadienyl..."	"BrC1=C(CNc2ccc(cc2)C(=O)OC34CC5CC(CC(C5)C3)C4)C(=O)C=CC1=O"	0	""	""	1	1	"388707"	NA
"683774"	683774	"Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CCC(NC(=O)C(N)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	"388713"	NA
"683775"	683775	"diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](NC(=O)[C@H](N)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	"388715"	NA
"683776"	683776	"ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	"388717"	NA
"683777"	683777	"ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](N)C(=O)N[C@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	"388719"	NA
"683782"	683782	"ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate"	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)CCCN2C(=O)CN=C(c3ccccc3)c4cc(Cl)ccc24"	0	""	""	2	2	"388729"	NA
"683784"	683784	"[(E)-[(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate"	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\OC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CCC34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	2	2	"9571993"	NA
"683785"	683785	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 5-methoxy-"	"COc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35"	0	""	""	2	2	"388732"	"143370234"
"683786"	683786	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 10-methoxy-"	"COc1ccnc2c3nccc4c5ccccc5nc(C(=O)c12)c34"	0	""	""	2	2	"388733"	NA
"683787"	683787	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-methyl-"	"Cc1cc2c3ccccc3nc4C(=O)c5cccnc5c(n1)c24"	0	""	""	2	2	"4297981"	NA
"683788"	683788	"5h-quino[6,7,8-ij][2,7]naphthridin-5-one"	"O=C1c2cccnc2c3nccc4ccnc1c34"	0	""	""	2	2	"388734"	NA
"683789"	683789	"11-Phenyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6ccccc6"	0	""	""	1	1	"388735"	NA
"683790"	683790	"11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione"	"CCN(CC)CCc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	1	1	"388736"	NA
"683791"	683791	"4,4'-bipiperidine, 1-[(6-methoxy-2-naphthalenyl)methyl]-..."	"COc1ccc2cc(CN3CCC(CC3)C4CCNCC4)ccc2c1"	0	""	""	3	2	"388737"	NA
"683792"	683792	"4,4'-bipiperidine, 1,1'-bis[(6-methoxy- 2-naphthalenyl)m..."	"COc1ccc2cc(CN3CCC(CC3)C4CCN(Cc5ccc6cc(OC)ccc6c5)CC4)ccc2c1"	0	""	""	2	2	"388739"	NA
"683827"	683827	""	"CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1"	0	NA	NA	1	1	"520003"	NA
"683828"	683828	""	"CCN(CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1"	0	NA	NA	1	1	"520004"	NA
"683831"	683831	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(Oc3ccc(C)cc3)cc2)c4ccc(Oc5ccc(C)cc5)cc4"	0	NA	NA	1	1	"520007"	NA
"683833"	683833	"2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone"	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1CN5CCCCC5"	0	""	""	1	1	"6052863"	NA
"683834"	683834	""	"CN(C)Cc1cc(\C=C/2\CCC\C(=C\c3ccc(O)c(CN(C)C)c3)\C2=O)ccc1O"	0	NA	NA	3	1	"520010"	NA
"683835"	683835	"2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone"	"Oc1ccc(\C=C/2\CCC\C(=C\c3ccc(Cl)c(Cl)c3)\C2=O)cc1"	0	""	""	1	1	"5905419"	NA
"683838"	683838	"2,2-Dimethylspiro[1,3-dioxolane-5,8'-bicyclo[4.2.0]octane]-4,7'-dione"	"CC1(C)OC(=O)C2(O1)C3CCCCC3C2=O"	0	""	""	1	1	"388760"	NA
"683839"	683839	"2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide"	"CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N\N=C\2/CC3CCC2(C)C3(C)C"	0	""	""	1	1	"5910589"	NA
"683842"	683842	"5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole"	"COc1cc(cc(OC)c1OC)C(C2SCCCS2)c3ccc4OCOc4c3"	0	""	""	1	1	"388764"	NA
"683852"	683852	""	"FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F"	0	NA	NA	1	1	"520028"	NA
"683855"	683855	""	"COC(=O)[C@@H]1Cc2ccc(OC)c(OCCC(=O)N1)c2"	0	NA	NA	1	1	"520031"	NA
"683856"	683856	"1,3-bis[(E)-(4-bromophenyl)methyleneamino]urea"	"Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1"	0	""	""	1	1	"9571579"	NA
"683859"	683859	""	"COC(=O)c1c2[C@@H]3OC(C)(C)O[C@@H]3Cn2c4ccccc14"	0	NA	NA	2	1	"520033"	NA
"683860"	683860	""	"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c2c3[C@@H]4OC(C)(C)O[C@@H]4Cn3c5ccccc25"	0	NA	NA	1	1	"520034"	NA
"683863"	683863	"Irofulven"	"CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	"Apo|AlkAg|RDI"	"FDA approved"	2	2	"148189"	NA
"683864"	683864	"Temsirolimus"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO"	0	"PK:STK,MTOR"	"FDA approved"	5	2	"-1"	"162635043"
"683890"	683890	"5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile"	"Nc1oc(COCc2ccccc2)nc1C#N"	0	""	""	1	1	"388803"	NA
"683897"	683897	""	"C[C@H](NC(=O)CNC(=O)c1cc(C)cc2Sc3cc(C)cc(C(=O)NCC(=O)N[C@@H](C)C(=O)OCc4ccccc4)c3Oc12)C(=O)OCc5ccccc5"	0	NA	NA	1	1	"520062"	NA
"683900"	683900	"3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone"	"Cc1ccsc1\C=N\Nc2ccccn2"	0	""	""	1	1	"9556267"	NA
"683901"	683901	"3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone"	"Cc1ccsc1\C=N\Nc2ncccn2"	0	""	""	1	1	"9556268"	NA
"683902"	683902	"2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone"	"Cc1ccsc1\C=N\Nc2cnccn2"	0	""	""	1	1	"9556269"	NA
"683903"	683903	"STK029050"	"Cc1ccsc1\C=N\Nc2nc3ccccc3s2"	0	""	""	1	1	"9556270"	NA
"683905"	683905	"3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone"	"Cc1ccsc1\C=N\Nc2ccc3ccccc3n2"	0	""	""	1	1	"9556272"	NA
"683906"	683906	"3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone"	"Cc1ccsc1\C=N\Nc2cc(C)c3ccccc3n2"	0	""	""	1	1	"9556273"	NA
"683907"	683907	"3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccc2nc(N\N=C\c3sccc3C)cc(C)c2c1"	0	""	""	1	1	"9556274"	NA
"683908"	683908	"3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccsc1\C=N\Nc2cc(C)c3cccc(C)c3n2"	0	""	""	1	1	"9556275"	NA
"683909"	683909	"3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2nc(N\N=C\c3sccc3C)cc(C)c2c1"	0	""	""	1	1	"9556276"	NA
"683910"	683910	"3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2c(C)cc(N\N=C\c3sccc3C)nc2c1"	0	""	""	1	1	"9556277"	NA
"683915"	683915	"5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone"	"Cc1ccc(\C=N\Nc2nc3ccccc3s2)s1"	0	""	""	1	1	"9556282"	NA
"683917"	683917	"AB01321011-02"	"Cc1ccc(\C=N\Nc2ccc3ccccc3n2)s1"	0	""	""	1	1	"9556284"	NA
"683918"	683918	"AB01329105-02"	"Cc1ccc(\C=N\Nc2cc(C)c3ccccc3n2)s1"	0	""	""	1	1	"9556285"	NA
"683920"	683920	"5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccc(\C=N\Nc2cc(C)c3cccc(C)c3n2)s1"	0	""	""	1	1	"9556287"	NA
"683921"	683921	"5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2nc(N\N=C\c3ccc(C)s3)cc(C)c2c1"	0	""	""	1	1	"9556288"	NA
"683922"	683922	"5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2c(C)cc(N\N=C\c3ccc(C)s3)nc2c1"	0	""	""	2	1	"9556289"	NA
"684035"	684035	"5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide"	"CNC(=S)c1nnsc1N"	0	""	""	1	1	"2771457"	NA
"684036"	684036	"N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine"	"CN(N)N=Nc1[nH]cnc1[N+](=O)[O-]"	0	""	""	1	1	"135493927"	NA
"684038"	684038	"1h-imidazole-4-carboxamide, 5-thiocyanato-"	"NC(=O)c1nc[nH]c1SC#N"	0	""	""	2	2	"388844"	NA
"684043"	684043	"Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-"	"NC(CSN=Nc1[nH]cnc1C(=O)N)C(=O)O"	0	""	""	2	2	"135493928"	NA
"684044"	684044	"STL436927"	"CCOC(=O)c1nc[nH]c1N=NN(C)N"	0	""	""	1	1	"135493929"	NA
"684046"	684046	"propanedithioamide, 2-[(4-aminocarbonyl-1h-imidazol-5-yl..."	"CNC(=S)\C(=N/Nc1[nH]cnc1C(=O)N)\C(=S)N"	0	NA	NA	2	2	"520110"	NA
"684047"	684047	"1h-imidazole-4-carboxamide, 5-(3-methyl-1-tetrazenyl)-"	"CN(N)N=Nc1[nH]cnc1C(=O)N"	0	""	""	2	2	"135493930"	NA
"684051"	684051	"STL445833"	"Cc1csc(n1)n2nc(C)cc2C"	0	""	""	1	1	"388857"	NA
"684054"	684054	"cysteine, n-acetyl-s-[(4-aminocarbonyl-1h-imidazol-5-yl)..."	"CC(=O)NC(CSN=Nc1[nH]cnc1C(=O)N)C(=O)O"	0	""	""	2	2	"135493932"	NA
"684059"	684059	"3-methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1n2cccc2"	0	""	""	2	1	"388866"	NA
"684067"	684067	"1-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione"	"O=C1CCC(=O)N1N2C(=O)NN=C2Cc3ccccc3"	0	""	""	1	1	"388874"	NA
"684074"	684074	"7h-5,6-dithioleno[4,3-d]uracil"	"O=C1NC2=C(SSC2)C(=O)N1"	0	""	""	2	2	"388876"	NA
"684105"	684105	"2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole"	"Cc1ccc(CCCCCOc2ccc(cc2)C3=NCCO3)s1"	0	""	""	1	1	"388877"	NA
"684106"	684106	"1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-"	"Cc1cc(C(=O)CCCCOc2ccc(cc2)C3=NCCO3)c(C)n1C"	0	""	""	1	1	"388878"	NA
"684109"	684109	""	"Clc1nc2SCCn2c1\C=C\c3cccs3"	0	NA	NA	1	1	"520138"	NA
"684111"	684111	"1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide"	"COc1nc(C(=O)NNC(=O)c2nc(OC)c3ccccc3c2c4ccccc4)c(c5ccccc5)c6ccccc16"	0	""	""	1	1	"388886"	NA
"684112"	684112	"2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one"	"COc1cc2CCCN3C(=O)c4ccccc4C=C3c2cc1OC"	0	""	""	2	2	"388887"	NA
"684113"	684113	"10-(4-Bromophenyl)-5-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one"	"CCn1cc2C(=O)N3N=CN(C3=Nc2n1)c4ccc(Br)cc4"	0	""	""	1	1	"388888"	NA
"684118"	684118	"pyrido[3,4-g]quinoline-5,10-dione, 1,4-dihydro- 1-(dimet..."	"CC1C=CN(N(C)C)C2=C1C(=O)c3cnccc3C2=O"	0	""	""	2	2	"388892"	NA
"684119"	684119	"methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate"	"COC(=O)C1C=CN(N(C)C)C2=C1C(=O)c3c(O)cccc3C2=O"	0	""	""	1	1	"388893"	NA
"684129"	684129	"N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine"	"CN(C)C(=C1c2cc(ccc2c3ccc(cc13)[N+](=O)[O-])[N+](=O)[O-])N(C)C"	0	""	""	1	1	"388898"	NA
"684130"	684130	"(2E)-2-(1-piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile"	"[O-][N+](=O)c1ccc2c(c1)\C(=C(\C#N)/N3CCCCC3)\c4cc(cc(c24)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"3005223"	NA
"684142"	684142	"methanethione, bis(4-methyl-1-piperazinyl)-"	"CN1CCN(CC1)C(=S)N2CCN(C)CC2"	0	""	""	2	2	"388906"	NA
"684144"	684144	"Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	"Clc1cccc(c1)N2CCN(CC2)C(=S)N3CCN(CC3)c4cccc(Cl)c4"	0	""	""	1	1	"388908"	NA
"684322"	684322	"Phenanthrene-9,10-diimine"	"N=C1C(=N)c2ccccc2c3ccccc13"	0	""	""	2	1	"2981"	"5665521"
"684350"	684350	"3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione"	"O=C1NC2=Nc3ccccc3C(=O)N2/C/1=C/c4occc4"	0	""	""	1	1	"135493950"	NA
"684355"	684355	"(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one"	"O=C1NC(=N/C/1=C\c2cccs2)N3CCOCC3"	0	""	""	1	1	"135493955"	NA
"684357"	684357	"(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one"	"Oc1ccc(\C=C\2/N=C(NC2=O)N3CCOCC3)cc1"	0	""	""	1	1	"135493957"	NA
"684362"	684362	"epothilon a"	"C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	""	""	3	3	"448799"	NA
"684363"	684363	"Epothilone B"	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	"TUBB|Tu-stab"	"Clinical trial"	3	1	"448013"	NA
"684365"	684365	"ZJESQUBQQBRCGG-UHFFFAOYSA-N"	"COc1cccc(C2=Nc3ccccc3C(=O)N2)c1OC"	0	""	""	1	1	"135489849"	NA
"684376"	684376	""	"ClC1=NC(=S)N/C/1=C/c2ccccc2"	0	NA	NA	2	1	"520218"	NA
"684378"	684378	"(5E)-4-chloro-5-(2-furylmethylene)imidazole-2-thione"	"ClC1=NC(=S)N/C/1=C/c2occc2"	0	""	""	2	1	"6374661"	NA
"684379"	684379	"1h-imidazole-2-imine, 4-chloro-2,5-dihydro- n-(4-methylp..."	"Cc1ccc(cc1)\N=C/2\N\C(=C\c3ccccc3)\C(=N2)Cl"	0	NA	NA	2	2	"520221"	NA
"684380"	684380	""	"Cc1ccc(cc1)\N=C/2\N\C(=C\c3occc3)\C(=N2)Cl"	0	NA	NA	2	1	"520222"	NA
"684382"	684382	"[(4Z)-4-(furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea"	"NC(=S)NC1=NC(=S)NC2=C1SC3=N\C(=C/c4occc4)\C(=O)N23"	0	""	""	2	1	"5906432"	NA
"684388"	684388	"5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone"	"CN(C)c1ccc(cc1)C(Cc2ccccc2)C3NC(=S)NC3=O"	0	""	""	2	1	"3005233"	NA
"684391"	684391	"(2Z)-5-amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione"	"NC1=C(N2CCOCC2)C(=O)NC3=N\C(=C/c4ccccc4)\C(=O)N13"	0	""	""	1	1	"5920966"	NA
"684405"	684405	"1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil"	"FC1=CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)NC1=O"	0	""	""	2	2	"388985"	NA
"684408"	684408	"[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate"	"CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=C\C(=N\OC(=O)c5cccc6C(=O)c7ccccc7Nc56)\C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C"	0	""	""	1	1	"9572000"	NA
"684409"	684409	"18-norestr-4-en-3-one, 17-ethynyl-13-ethyl- 17.beta.-hyd..."	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\NC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CCC34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	2	2	"9572001"	NA
"684423"	684423	"2-ethoxy-6,7-dehydroestra-1,3,5(10)-trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C=Cc2cc1O"	0	NA	NA	2	2	"520254"	NA
"684424"	684424	"methyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate"	"COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1"	0	""	""	2	2	"388993"	NA
"684438"	684438	"2,6-Diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide"	"NCCCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCCCN)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"438922"	NA
"684439"	684439	"Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-6-oxohexyl]carbamate"	"CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCNc2ccc(NCCNC(=O)C(CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)c4C(=O)c5ccccc5C(=O)c24"	0	""	""	2	2	"438923"	NA
"684440"	684440	"2-Amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylsulfanylbutanamide"	"CSCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCSC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"438924"	NA
"684441"	684441	"Tert-butyl N-[1-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate"	"CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"438925"	NA
"684442"	684442	"N-[2-[[9,10-Dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]anthracen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide"	"O=C(NCCNc1ccc(NCCNC(=O)C2CCCN2)c3C(=O)c4ccccc4C(=O)c13)C5CCCN5"	0	""	""	1	1	"438926"	NA
"684443"	684443	"Tert-butyl 2-[2-[[4-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate"	"CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNc2ccc(NCCNC(=O)C3CCCN3C(=O)OC(C)(C)C)c4C(=O)c5ccccc5C(=O)c24"	0	""	""	1	1	"438927"	NA
"684444"	684444	"6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene"	"CC(C)(C)c1ccc2OCCOCCOc3ccc(cc3OCc4nc(COc2c1)n[nH]4)C(C)(C)C"	0	""	""	1	1	"389005"	NA
"684459"	684459	"7h-pyrido[3,2-d][1]benzazepine-6-thione, 4-(4-bromo- phe..."	"Brc1ccc(cc1)c2cc(nc3c2CC(=S)Nc4ccccc34)c5ccccc5"	0	""	""	2	2	"3939015"	NA
"684480"	684480	"7h-pyrido[3,2-d][1]benzazepin-6-one, 2-(3-chlorophenyl)-..."	"Clc1cccc(c1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	"389012"	NA
"684481"	684481	"7h-pyrido[3,2-d][1]benzazepine-6-thione, 2-(3-chloro- ph..."	"Clc1cccc(c1)c2cc(c3CC(=S)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	"4998423"	NA
"684496"	684496	"benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)ethyl]..."	"CC(C)OC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1"	0	""	""	4	4	"389014"	NA
"684506"	684506	"22-hydroxytingenone"	"C[C@@H]1CC2[C@@](C)(CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]23C)C)[C@H](O)C1=O"	0	NA	NA	2	2	"520280"	"50656683"
"684565"	684565	"5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"[O-][N+](=O)c1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	1	1	"5938458"	NA
"684567"	684567	"4,6(1h,5h)-pyrimidinedione, 5-[3-[4-(diethylamino)phenyl..."	"CCN(CC)c1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	2	2	"6376062"	NA
"684569"	684569	"4,6(1h,5h)-pyrimidinedione, dihydro-5-[3-(4-methoxypheny..."	"COc1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	2	2	"5874667"	NA
"684578"	684578	"5,7-Dihydroxy-2-nonyl-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2c(O)cc(O)cc2O1"	0	""	""	1	1	"5378621"	NA
"684587"	684587	""	"C\C(=N/O)\c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1"	0	NA	NA	1	1	"520304"	NA
"684667"	684667	"2-[(9-amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12"	0	""	""	1	1	"389050"	NA
"684699"	684699	"2-propen-1-one, 1-(5-hydroxy-3-phenyl- 1,2,3-oxadiazol-4..."	"Cc1ccc(\C=C\C(=O)c2c(O)on[n+]2c3ccccc3)cc1"	0	""	""	2	1	"5469236"	NA
"684700"	684700	"2-propen-1-one, 1-(5-hydroxy-3-phenyl- 1,2,3-oxadiazol-4..."	"Oc1on[n+](c2ccccc2)c1C(=O)\C=C\c3ccc(cc3)C(F)(F)F"	0	""	""	2	2	"5469238"	NA
"684701"	684701	"(E)-3-(4-hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2c(O)on[n+]2c3ccccc3)ccc1O"	0	""	""	2	1	"5469240"	NA
"684703"	684703	"5,8-quinolinedione, 2-chloro-6-methoxy-4-methyl-7-propyl-"	"CCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O"	0	""	""	2	1	"389064"	NA
"684706"	684706	"1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine"	"CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12"	0	""	""	1	1	"389067"	NA
"684707"	684707	"2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile"	"S=C1NC2=C(CCCCC2)C(=C1C#N)\C=C\c3ccccc3"	0	""	""	1	1	"5469243"	NA
"684712"	684712	""	"CCc1ccc2[OH+][Cu+2]34[OH+]c5ccc(CC)cc5C(=O)[O-][Cu+2]([OH+]c6ccc(CC)cc6C(=O)[O-]3)([OH+]c7ccc(CC)cc7C(=O)[O-]4)[O-]C(=O)c2c1"	0	NA	NA	2	2	"582282"	NA
"684713"	684713	"Hexafluoro phosphate"	"CCN1\C(=C\C#C\C(=C/c2sc3ccccc3[n+]2CC)\C)\Sc4ccccc14.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	""	""	1	1	"6477909"	NA
"684714"	684714	""	"CCN1\C(=C\C#C\C(=C/c2sc3ccc(Cl)cc3[n+]2CC)\C)\Sc4ccc(Cl)cc14"	0	NA	NA	1	1	"520334"	NA
"684725"	684725	"2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile"	"CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C"	0	""	""	1	1	"389075"	NA
"684749"	684749	"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid"	"CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C"	0	""	""	2	1	"389088"	NA
"684785"	684785	"5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile"	"Nc1oc(CCC(N2C(=O)c3ccccc3C2=O)c4oc(N)c(n4)C#N)nc1C#N"	0	""	""	1	1	"389100"	NA
"684789"	684789	"5-Amino-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)-1,3-oxazole-4-carbonitrile"	"CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)c4oc(N)c(n4)C#N"	0	""	""	2	1	"389104"	NA
"684802"	684802	"Maybridge1_002423"	"CC1(C)CN=C(Nc2cccc(c2)C(F)(F)F)S1"	0	""	""	1	1	"389117"	NA
"684804"	684804	"STK377701"	"CC1CN=C(Nc2cccc(F)c2)S1"	0	""	""	1	1	"389119"	NA
"684810"	684810	"N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide"	"Cc1ccc(cc1)S(=O)(=O)NNCNC(=O)c2ccccc2"	0	""	""	1	1	"389125"	NA
"684819"	684819	"STK691020"	"CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)c(Cl)c1)C(F)(F)F"	0	""	""	2	1	"389134"	NA
"684820"	684820	"C16H18F6N2O3"	"CCOC(=O)C(NCc1cccc(c1)C(F)(F)F)(NC(=O)CC)C(F)(F)F"	0	""	""	1	1	"389135"	NA
"684825"	684825	"Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate"	"CCOC(=O)C(O)(NC(=O)c1ccccc1F)C(F)(F)F"	0	""	""	1	1	"389140"	NA
"684832"	684832	"N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide"	"Fc1ccc(cc1)C(=O)NC(Cl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"389148"	NA
"684834"	684834	"2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide"	"Cc1ccccc1C(=O)NC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"389150"	NA
"684836"	684836	"butanamide, n-[2-[(4-fluorophenyl)amino]-1,1,1,3,3,3- he..."	"CCCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"389152"	NA
"684838"	684838	"propanamide, 3,3,3-trifluoro-2-(trifluoromethyl)- n-[2-[..."	"Fc1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1"	0	""	""	2	2	"389154"	NA
"684843"	684843	"AG-389/33008062"	"CCOC(=O)C(NC(=O)C)(Nc1ccc(cc1)S(=O)(=O)N)C(F)(F)F"	0	""	""	1	1	"389159"	NA
"684845"	684845	"propanoic acid, 3,3,3-trifluoro- 2-[(4-fluorophenyl)amin..."	"CCOC(=O)NC(Nc1ccc(F)cc1)(C(=O)OCC)C(F)(F)F"	0	""	""	2	2	"389161"	NA
"684846"	684846	"propanoic acid, 3,3,3-trifluoro- 2-[(3,4-difluorophenyl)..."	"CCOC(=O)NC(Nc1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F"	0	""	""	2	2	"389162"	NA
"684850"	684850	"1,3-propanedioic acid, 2-[[4-[[(4,5-dihydro-5-methyl-2-t..."	"CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC"	0	""	""	2	2	"389166"	NA
"684855"	684855	"propanoic acid, 3,3,3-trifluoro- 2-[[4-chloro-2-(trifluo..."	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(Cl)cc2C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"389171"	NA
"684857"	684857	"1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline"	"COc1ccccc1N(CN2C(CCC2=O)C(=O)O)C(=O)C"	0	""	""	1	1	"389173"	NA
"684864"	684864	"1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester"	"COC(=O)C1CCC(=O)N1CN(C(=O)C)c2ccccc2"	0	""	""	1	1	"389180"	NA
"684868"	684868	"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester"	"CCOCCOC(=O)C1CCC(=O)N1CN(C(=O)C)c2cc(OC)ccc2OC"	0	""	""	1	1	"389184"	NA
"684869"	684869	"N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide"	"CNC(=O)C1CCC(=O)N1CN(C(=O)C)c2ccccc2"	0	""	""	1	1	"389185"	NA
"684872"	684872	"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-"	"COC1CCC(=O)N1CN(C(=O)C)c2ccc(C)cc2"	0	""	""	1	1	"389188"	NA
"684874"	684874	"6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one"	"CC(=O)N1CN2C(CCC2=O)c3ccccc13"	0	""	""	1	1	"389190"	NA
"684901"	684901	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccc(O)cc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccc(O)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	"520460"	NA
"684902"	684902	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccc(O)cc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccc(O)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	"520461"	NA
"684903"	684903	"2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CC(=O)CN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CC(=O)CN7C1=O"	0	""	""	1	1	"389207"	NA
"684904"	684904	"2-amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CC(O)CN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CC(O)CN7C1=O"	0	""	""	1	1	"389208"	NA
"684906"	684906	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	2	"520465"	NA
"684907"	684907	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccccc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccccc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	"520466"	NA
"684908"	684908	""	"COc1ccc(CC2N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C4=C(N)C(=O)C(=C5Oc6c(C)ccc(C(=O)NC7C(C)OC(=O)C(Cc8ccc(OC)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C(=O)C(NC7=O)C(C)C)c6N=C45)C)C(C)OC2=O)C(C)C)cc1"	0	NA	NA	2	2	"520467"	NA
"684909"	684909	"2,6-pyrimidinediamine, 4-chloro-5-[(4-chlorophenyl)azo]-..."	"Nc1nc(Cl)c(\N=N\c2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	2	"520468"	NA
"684910"	684910	"2,6-pyrimidinediamine, 4-chloro-5-[(4-chlorophenyl)azo]-..."	"Nc1nc(Cl)c(\N=N\c2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	1	"520469"	NA
"684913"	684913	"stilbene, 4-hydroxy-4'-methoxy-, (z)-"	"COc1cccc(\C=C/c2ccc(O)cc2)c1"	0	NA	NA	2	2	"520471"	NA
"684965"	684965	"3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile"	"Fc1ccc(\C=C(/C#N)\C2=Nc3ccccc3C(=O)N2)cc1"	0	""	""	1	1	"135454442"	NA
"684969"	684969	""	"COc1ccc(\C=C(/C#N)\C2=Nc3ccccc3C(=O)N2)cc1"	0	NA	NA	1	1	"520477"	NA
"684973"	684973	"STK027543"	"N=C1Oc2ccccc2C=C1c3nc4ccccc4[nH]3"	0	""	""	1	1	"389220"	NA
"684974"	684974	"IFLab1_000850"	"N=C1Oc2ccccc2C=C1C3=Nc4ccccc4C(=O)N3"	0	""	""	1	1	"135449176"	NA
"684976"	684976	"2-(3-Iminobenzo[f]chromen-2-yl)-1H-quinazolin-4-one"	"N=C1Oc2ccc3ccccc3c2C=C1C4=Nc5ccccc5C(=O)N4"	0	""	""	1	1	"135489852"	NA
"684980"	684980	"2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile"	"O=C1Oc2ccc3ccccc3c2C=C1c4csc(CC#N)n4"	0	""	""	1	1	"389227"	NA
"684981"	684981	"2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(CC#N)n3"	0	""	""	2	2	"5466312"	NA
"684984"	684984	"STL360951"	"CN(C)c1ccc(\C=C(/C#N)\c2nc(cs2)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	1	1	"5469261"	NA
"684986"	684986	"STK012642"	"Cc1nc(cs1)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	"389233"	NA
"684988"	684988	"CBMicro_045675"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3csc(C)n3"	0	""	""	1	1	"389235"	NA
"684990"	684990	"STK805705"	"Cc1nc(cs1)C2=Cc3cc(ccc3OC2=O)[N+](=O)[O-]"	0	""	""	1	1	"389237"	NA
"684992"	684992	"STK526942"	"[O-][N+](=O)c1ccc2OC(=O)C(=Cc2c1)c3csc(n3)c4ccccc4"	0	""	""	1	1	"389239"	NA
"684995"	684995	"6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(n3)c4ccc(OC)cc4"	0	""	""	1	1	"5466313"	NA
"685002"	685002	"BAS 01020699"	"COc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	1	1	"389249"	NA
"685003"	685003	"STL135827"	"Clc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	2	1	"389250"	NA
"685005"	685005	"STK492811"	"CCN(CC)c1ccc2C=C(C(=O)NCc3ccccc3)C(=N)Oc2c1"	0	""	""	2	2	"389252"	NA
"685009"	685009	"(3-isopropoxy-2-methyl-1-triisopropylsilyloxy-9H-carbazol-4-yl) acetate"	"CC(C)Oc1c(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c2[nH]c3ccccc3c2c1OC(=O)C"	0	""	""	2	1	"389256"	NA
"685014"	685014	"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one"	"CC(C)Oc1c(O)c2C(C=CN3C(=O)Oc(c1OC(C)C)c23)c4ccccc4n5c(C)ccc5C"	0	""	""	1	1	"389261"	NA
"685016"	685016	"10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one"	"CC(C)OC1=C(OC(C)C)C2=NNC(=O)N3C=CC(C(=C23)C1=O)c4ccccc4n5c(C)ccc5C"	0	""	""	1	1	"135450448"	NA
"685019"	685019	"3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione"	"CC(C)OC1=C(C(=O)C1=O)C2=C(OC(C)C)C(=O)C2=O"	0	""	""	3	1	"389266"	NA
"685021"	685021	"[7-(Diethylamino)-6-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate"	"CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(OC(C)C)C(=O)C3=O"	0	""	""	1	1	"389268"	NA
"685022"	685022	"3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione"	"COc1ccccc1C(=O)C2=C(NCc3ccccc3)C(=O)C2=O"	0	""	""	1	1	"389269"	NA
"685032"	685032	"(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate"	"CC(=O)Oc1c2Oc3ccc(Cl)cc3C(=O)c2c(O)c4ccsc14"	0	""	""	1	1	"5466315"	NA
"685033"	685033	"[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate"	"CN(C)n1ccc2c(O)c(C(=O)c3ccccc3)c(N4CCCCC4)c(OC(=O)C)c12"	0	""	""	1	1	"389280"	NA
"685034"	685034	"2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one"	"COc1c(N2CCCCC2)c3C(=O)c4ccccc4Oc3c5cc(C)oc15"	0	""	""	1	1	"389281"	NA
"685096"	685096	"noac"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	2	2	"389286"	NA
"685105"	685105	"methyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]ethyl..."	"COC(=O)c1ccc(CCC2=CC(=O)C(=CC2=O)Br)cc1"	0	""	""	2	2	"389287"	NA
"685106"	685106	"isopropyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate"	"CC(C)OC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1"	0	""	""	2	1	"389288"	NA
"685107"	685107	"isopropyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]et..."	"CC(C)OC(=O)c1ccc(CCC2=CC(=O)C(=CC2=O)Br)cc1"	0	""	""	2	2	"389289"	NA
"685110"	685110	""	"Cc1ccc(cc1)S(=O)(=O)N\C(=C/C=C/c2ccccc2)\C(=O)C(C)(C)C"	0	NA	NA	1	1	"520552"	NA
"685118"	685118	"5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile"	"Nc1oc(CCN2C(=O)c3ccccc3C2=O)nc1C#N"	0	""	""	1	1	"389298"	NA
"685121"	685121	"5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile"	"Nc1oc(CCCCCN2C(=O)c3ccccc3C2=O)nc1C#N"	0	""	""	1	1	"389301"	NA
"685123"	685123	""	"[R]S(=O)(C)[C@H]([C@H](O)[C@H]1COC(C)(C)O1)C2=NO[C@H]([C@@H]2c3ccccc3)c4ccccc4"	0	NA	NA	2	1	"582285"	NA
"685124"	685124	"4-piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-, (e,e)-"	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	3	2	"5469265"	NA
"685125"	685125	"4-piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-, (e,e)-"	"[O-][N+](=O)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C2=O)cc1"	0	""	""	2	2	"5469266"	NA
"685126"	685126	"4-piperidinone, 3,5-bis[(4-fluorophenyl)methylene]-, (e,e)-"	"Fc1ccc(\C=C\2/CNC\C(=C/c3ccc(F)cc3)\C2=O)cc1"	0	NA	NA	3	3	"520565"	NA
"685127"	685127	"1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone"	"Cc1ccc(\C=C\C2=NNC(=NC2=O)N\N=C\c3ccc4OCOc4c3)cc1"	0	""	""	1	1	"135493963"	NA
"685189"	685189	""	"CC1=CN(C2OC(CO[Si](C)(C)C(C)(C)C)\C(=C/C#N)\C2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	1	1	"520573"	NA
"685230"	685230	"3-Chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(NO)cc12"	0	""	""	2	2	"389321"	NA
"685231"	685231	"2-ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol, 6-t..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N/NS(=O)(=O)c5ccc(C)cc5)\c2cc1O"	0	NA	NA	1	1	"520590"	NA
"685233"	685233	""	"Cc1ccc(cc1)C2=NNC(=O)N2\N=C\c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	2	1	"520592"	NA
"685269"	685269	""	"OCC(O)C(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C/c2ccccc2)\N1"	0	NA	NA	1	1	"520600"	NA
"685272"	685272	"d-glucose, [4-[(4-chlorophenyl)methylene]-5-oxo- 2-imida..."	"OCC(O)C(O)C(O)C(O)\C=N/N=C\1/NC(=O)\C(=C\c2ccc(Cl)cc2)\N1"	0	""	""	2	2	"135484999"	"208113411"
"685285"	685285	"LMEYMDPIGMZWSV-IWGRKNQJSA-N"	"COc1ccc(cc1)\N=C(/C)\C(=N\c2ccc(OC)cc2)\C"	0	""	""	1	1	"389336"	NA
"685289"	685289	""	"C\C(=N/N=C/c1ccccn1)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N=C\c2ccccn2)\C)\C)\C"	0	NA	NA	1	1	"520620"	NA
"685293"	685293	""	"C\C(=N/N)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N)\C)\C)\C)\C"	0	NA	NA	1	1	"520624"	NA
"685299"	685299	"5-amino-2-[(E)-styryl]oxazole-4-carbonitrile"	"Nc1oc(\C=C\c2ccccc2)nc1C#N"	0	""	""	1	1	"5469294"	NA
"685301"	685301	"24-norcholan-3,12-diol, 23-(5-amino-4-cyano-2-oxazolyl)-..."	"C[C@H](CCc1oc(N)c(n1)C#N)[C@H]2CC[C@H]3[C@@H]4CCC5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C"	0	NA	NA	2	2	"520629"	NA
"685302"	685302	""	"C[C@H](CCc1oc(N)c(n1)C#N)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)CC5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C"	0	NA	NA	3	2	"520630"	NA
"685357"	685357	"5-(m-benzyloxy)benzylbarbituric acid"	"O=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)C(=O)N1"	0	""	""	1	1	"192294"	NA
"685405"	685405	"benzoic acid, 4-[[2-bromo-3,6-dioxo-1,4-cyclohexadienyl)..."	"CC(C)(C)OC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1"	0	""	""	2	2	"389360"	NA
"685407"	685407	"N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide"	"Nc1ncnc2c1ncn2C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	"389362"	NA
"685416"	685416	"3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine"	"Clc1ccc(cc1)C2=NCON=C2c3ccc(Cl)cc3"	0	""	""	1	1	"389370"	NA
"685421"	685421	""	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](C=C2C1)c5ccc(O)cc5)OC(=O)C"	0	NA	NA	1	1	"520659"	NA
"685424"	685424	"2,6-dihydroxy-9-(5'-nitropyridine)-9h-purine"	"[O-][N+](=O)c1ccc(nc1)n2cnc3C(=O)NC(=O)Nc23"	0	""	""	1	1	"389377"	NA
"685426"	685426	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)N)ccc34)[C@@H]1CCC2=O"	0	NA	NA	1	1	"520664"	NA
"685457"	685457	"5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione"	"CCCCCCCCCCCCCCCC(=O)ON1C(=S)NC(C)(C1=S)c2ccccc2"	0	""	""	1	1	"3005240"	NA
"685458"	685458	"(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate"	"O=C(CCc1ccccc1)ON2C(=NC(C2=S)(c3ccccc3)c4ccccc4)Sc5ccccc5"	0	""	""	1	1	"389392"	NA
"685459"	685459	"[2-(4-Methoxyphenyl)-4-thioxo-quinazolin-3-yl] acetate"	"COc1ccc(cc1)C2=Nc3ccccc3C(=S)N2OC(=O)C"	0	""	""	1	1	"389393"	NA
"685461"	685461	"(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate"	"O=C(CCc1ccccc1)ON2C(=S)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	"389395"	NA
"685462"	685462	"3-Hydroxy-2-phenyl-quinazoline-4-thione"	"ON1C(=S)c2ccccc2N=C1c3ccccc3"	0	""	""	1	1	"389396"	NA
"685465"	685465	"5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C(O)C(F)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"389397"	NA
"685466"	685466	"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione"	"CC1=NN(C2OC(CO)C(O)C(F)C2O)C(=O)NC1=O"	0	""	""	1	1	"389398"	NA
"685468"	685468	""	"[Cl-].C1CP(c2ccccc2)(c3ccccc3)[Pt+2]4([NH2+]CCP4(c5ccccc5)c6ccccc6)[NH2+]1"	0	NA	NA	2	1	"582290"	NA
"685470"	685470	"Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine"	"[Cl-].CN(C)CCP(c1ccccc1)(c2ccccc2)[Pt+2]3([ClH-])[N+](C)(C)CCP3(c4ccccc4)c5ccccc5"	0	""	""	2	2	"499568"	NA
"685476"	685476	""	"Brc1ccc(cc1)C(=O)COc2ccccc2C3=N\C(=C\4/C=CC=CC4=O)\SS3"	0	NA	NA	1	1	"520693"	NA
"685478"	685478	"phenol, 2,2'-[1h-1,2,4-triazole-3,5-diyl]bis-"	"Oc1ccccc1c2n[nH]c(n2)c3ccccc3O"	0	""	""	2	2	"389407"	NA
"685500"	685500	"2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile"	"CC1=C(C#N)C(=N)Oc2cc(C)c(C)cc12"	0	""	""	1	1	"389418"	NA
"685501"	685501	"2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile"	"Nc1nc2nc3Oc4ccccc4C(=C)c3c(N)c2c(N)c1C#N"	0	""	""	1	1	"389419"	NA
"685503"	685503	"propanedinitrile, [5-amino-3,6-dicyano-1,2,4-trihydro-11..."	"CC12NC(=C(C#N)C#N)C(=C3NC(=C(C#N)C(=C13)Oc4ccccc24)N)C#N"	0	""	""	2	2	"389421"	NA
"685509"	685509	"3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline"	"COc1cc(OC)cc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)c1"	0	""	""	1	1	"389427"	NA
"685511"	685511	"Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	"389429"	NA
"685520"	685520	"3-Ethyl-6-fluoro-2-quinoxalinol"	"CCC1=Nc2cc(F)ccc2NC1=O"	0	""	""	1	1	"389438"	NA
"685685"	685685	"3-pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)..."	"CCOC(=O)\C(=C(\NNc1ccccc1)/c2ccncc2C(=O)O)\C#N"	0	""	""	2	2	"5469314"	NA
"685687"	685687	"1,2,5,6,9-pentaazadicylopent[a,b]indene-3,4(2h,5h)-dione..."	"O=C1N(N=C2c3ccncc3C4=NN(C(=O)C124)c5ccccc5)c6ccccc6"	0	""	""	2	2	"389479"	NA
"685703"	685703	"leucine, n-[1-[n-[4-[[3-hydroxy-4-[[n-[n-[1-(2-hydroxy- ..."	"CCC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	"389482"	NA
"685707"	685707	"Incomptina B"	"CC1\C=C/[C@H]2[C@@](C[C@H](C3[C@@H](C=1)OC(=O)C3=C)O)(C)O2"	0	NA	NA	1	1	"520777"	NA
"685793"	685793	"Z285756890"	"Nc1nc(Cl)cc(Nc2ccc3CCCc3c2)n1"	0	""	""	1	1	"389507"	NA
"685794"	685794	"4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine"	"Clc1cc(Cl)nc(Nc2ccc3CCCc3c2)n1"	0	""	""	1	1	"389508"	NA
"685797"	685797	"7h-purine-6-amine,2-bromo-7-(2-deoxy-.beta.-d-erythropen..."	"Nc1nc(Br)nc2ncn(C3CC(O)C(CO)O3)c12"	0	""	""	2	2	"389510"	NA
"685798"	685798	"6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine"	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)nc(N)nc45)cc1"	0	""	""	3	2	"389511"	NA
"685803"	685803	"LS-126491"	"CCCCc1ccc(Nc2nc(SC)c3nc[nH]c3n2)cc1"	0	""	""	2	2	"389513"	NA
"685804"	685804	"2,4(1h,3h)-pyrimidinedione, 6-[(3,4-dichlorophenyl)azo]-"	"Clc1ccc(cc1Cl)N=NC2=CC(=O)NC(=O)N2"	0	""	""	2	2	"389514"	NA
"685805"	685805	"LS-127178"	"CCCCc1ccc(NC2=Nc3[nH]cnc3C(=S)N2)cc1"	0	""	""	1	1	"3005246"	NA
"685806"	685806	"LS-126469"	"CCCCc1ccc(Nc2nc(N)c3nc[nH]c3n2)cc1"	0	""	""	1	1	"127307"	NA
"685807"	685807	"5-(p-Aminobenzyl)-6-aminouracil"	"NC1=C(Cc2ccc(N)cc2)C(=O)NC(=O)N1"	0	""	""	1	1	"389516"	NA
"685814"	685814	"N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine"	"COc1cc(Nc2ccc3CCCc3c2)nc(OC)n1"	0	""	""	1	1	"389523"	NA
"685826"	685826	"6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine"	"Fc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl"	0	""	""	1	1	"5466331"	NA
"685827"	685827	""	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)ncnc45)cc1"	0	NA	NA	3	2	"520827"	NA
"685828"	685828	"7h-purine, 6-chloro-7-[2-deoxy-3-o-(4-methylphenyl)- 4-(..."	"Cc1ccc(OC2CC(OC2Oc3ccc(C)cc3)n4cnc5ncnc(Cl)c45)cc1"	0	""	""	1	1	"389531"	NA
"685830"	685830	""	"CSc1ncnc2c1ncn2C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3"	0	NA	NA	1	1	"520830"	NA
"685832"	685832	"2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine"	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)nc(Cl)nc45)cc1"	0	""	""	1	1	"389534"	NA
"685833"	685833	"7h-purine, 2,6-dichloro- 7-[2-deoxy-3,5-o-bis(4-methylph..."	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5nc(Cl)nc(Cl)c45)cc1"	0	NA	NA	2	2	"520833"	NA
"685835"	685835	""	"CSc1nc(Br)nc2ncn(C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3)c12"	0	NA	NA	1	1	"520835"	NA
"685836"	685836	"9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-2,6-bis(methylsulfanyl)purine"	"CSc1nc(SC)c2ncn(C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3)c2n1"	0	""	""	1	1	"389538"	NA
"685844"	685844	""	"Oc1ccc(Cl)cc1C2=NC(=NC(C2)c3ccccc3)\N=C/c4ccccc4"	0	NA	NA	1	1	"520842"	NA
"685848"	685848	"4(3h)-quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]..."	"[O-][N+](=O)c1ccccc1\C=N\N2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	2	1	"9556295"	NA
"685850"	685850	"STK710498"	"CN(C)c1ccc(\C=N\N2C(=Nc3ccccc3C2=O)C)cc1"	0	""	""	1	1	"6861487"	NA
"685853"	685853	"SSXNAVNUUDFWTL-UHFFFAOYSA-N"	"COc1ccc(cc1)C2=C(N)c3cc(OC)ccc3C2=O"	0	""	""	1	1	"389548"	NA
"685860"	685860	"ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate"	"CCOC(=O)c1cc2cc(Cc3ccc4[nH]c(cc4c3)C(=O)OCC)ccc2[nH]1"	0	""	""	1	1	"389555"	NA
"685862"	685862	"Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate"	"CCOC(=O)c1cc2ccc3[nH]c(cc3c2[nH]1)C(=O)OCC"	0	""	""	1	1	"389557"	NA
"685865"	685865	"ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate"	"CCOC(=O)c1cc2c(C(=O)c3ccc(cc3)[N+](=O)[O-])c(ccc2[nH]1)C(=O)C"	0	""	""	1	1	"389560"	NA
"685874"	685874	"N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide"	"Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccccc4)c1"	0	""	""	1	1	"389567"	NA
"685875"	685875	"CBDivE_012195"	"Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(N)cc4)c1"	0	""	""	1	1	"389568"	NA
"685876"	685876	"STL337664"	"Nc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	"389569"	NA
"685877"	685877	"CBDivE_012193"	"Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(N)cc4)cc1"	0	""	""	1	1	"389570"	NA
"685880"	685880	"AB01298041-01"	"O=S(=O)(Nc1nc2ccccc2nc1N3CCCCCC3)c4ccccc4"	0	""	""	1	1	"389573"	NA
"685881"	685881	"Carnocin CP 5"	"CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)[n+]4ccccc4"	0	""	""	1	1	"389574"	NA
"685883"	685883	"N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)n4ccnc4"	0	""	""	1	1	"389578"	NA
"685884"	685884	"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)n4cnc5ccccc45"	0	""	""	1	1	"389579"	NA
"685885"	685885	"N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"O=C1C(=C(N(Cc2ccccc2)Cc3ccccc3)C(=O)c4ccccc14)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	"389580"	NA
"685886"	685886	"N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide"	"O=S(=O)(Nc1nc2ccccc2nc1Nc3cccc4ccccc34)c5ccccc5"	0	""	""	1	1	"389581"	NA
"685887"	685887	"n-(3-(naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfo..."	"O=S(=O)(Nc1nc2ccccc2nc1Nc3ccc4ccccc4c3)c5ccccc5"	0	""	""	2	2	"389582"	NA
"685889"	685889	"Z56768957"	"O=C1C(=C(C(=O)c2ccccc12)n3ccnc3)NS(=O)(=O)c4ccccc4"	0	""	""	1	1	"389584"	NA
"685890"	685890	"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"O=C1C(=C(C(=O)c2ccccc12)n3cnc4ccccc34)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	"389585"	NA
"685891"	685891	"N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"C[n+]1cn(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc4C2=O)c5ccccc15"	0	""	""	1	1	"9571591"	NA
"685892"	685892	"Benzenesulfonyl-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide"	"C[n+]1cn(c2nc3ccccc3nc2NS(=O)(=O)c4ccccc4)c5ccccc15"	0	""	""	1	1	"389588"	NA
"685894"	685894	"(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate"	"O=C1C(=C(C(=O)c2ccccc12)[n+]3ccc(Cc4ccccc4)cc3)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	"9571592"	NA
"685896"	685896	"STL347560"	"NC(=O)c1ccc[n+](c1)C2=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc4C2=O"	0	""	""	1	1	"54694509"	NA
"685926"	685926	"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide"	"Cc1cc(ccc1\C(=N\NC(=O)c2cc(Cl)ccc2O)\N=Nc3cccc(Cl)c3)N(CCC#N)CCC#N"	0	""	""	1	1	"135446392"	NA
"685956"	685956	""	"FC(F)(F)C(=O)NCCCCNCCCNC(=O)C(F)(F)F"	0	NA	NA	1	1	"520901"	NA
"685961"	685961	"tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate"	"CC(C)(C)OC(=O)N(CCCN)CCCCN"	0	""	""	1	1	"389615"	NA
"685964"	685964	"{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester"	"CC(C)(C)OC(=O)N(CCCCNC(=O)OCc1ccccc1)CCCNC(=O)OCc2ccccc2"	0	""	""	1	1	"389618"	NA
"685970"	685970	"N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide"	"FC(F)(F)C(=O)NCCCCN(CCCNC(=O)C(F)(F)F)C(=O)c1ccccc1"	0	""	""	1	1	"389624"	NA
"685973"	685973	""	"NCCCCN(CCCN)Cc1ccc2ccccc2c1"	0	NA	NA	1	1	"520918"	NA
"685974"	685974	"Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester"	"O=C(Cc1ccccc1)NCCCN(CCCCN(CCCNC(=O)Cc2ccccc2)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	2	2	"389629"	NA
"685976"	685976	""	"NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc2ccccc2"	0	NA	NA	1	1	"520921"	NA
"685977"	685977	"carbamic acid, [1,4-butanediylbis[n-[3-[(trifluoroacetyl..."	"FC(F)(F)C(=O)NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	""	""	2	2	"389633"	NA
"685980"	685980	"1,4-butanediamine, n,n'-bis(3-aminopropyl)- n,n'-bis(3-p..."	"NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc2ccccc2"	0	NA	NA	2	1	"520925"	NA
"685981"	685981	"1,4-butanediamine, n,n'-bis[(2-naphthalenyl)methyl- n,n'..."	"FC(F)(F)C(=O)NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc3ccc4ccccc4c3"	0	""	""	2	2	"389638"	NA
"685982"	685982	"N,N'-bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid"	"NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc3ccc4ccccc4c3"	0	""	""	1	1	"389639"	NA
"685985"	685985	"benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)..."	"COC(=O)c1ccc(NCc2c(O)ccc(O)c2Br)cc1Cl"	0	""	""	1	1	"389643"	NA
"685988"	685988	"Dihydroartemisinyl ether, stereoisomer of NSC-685989"	"C[C@@H]1CCC2[C@@H](C)[C@H](O[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	3	3	"6712439"	NA
"685989"	685989	"Dihydroartemisinyl ether, stereoisomer of NSC-685988"	"C[C@@H]1CCC2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	2	2	"6712440"	NA
"686031"	686031	"Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate"	"CCOC(=O)CSC1=NC(=C(C#N)C(=O)N1)c2ccc(OC)cc2"	0	""	""	1	1	"135489869"	NA
"686036"	686036	""	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(Cl)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"520949"	NA
"686038"	686038	""	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(C)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"520951"	NA
"686039"	686039	"pyrimidine-5-carbonitrile, 1-(2,3,4,6-o-tetraacetyl- .be..."	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(Cl)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	"520952"	NA
"686048"	686048	"Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(cc3n2)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	"389671"	NA
"686050"	686050	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	"389673"	NA
"686051"	686051	"Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCC"	0	""	""	1	1	"389674"	NA
"686053"	686053	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	"389676"	NA
"686130"	686130	"acetamide, n-[6'-(diethylamino)-3-oxospiro-[isobenzofura..."	"CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(C(=O)C)c6ccccc6)c1"	0	""	""	2	1	"389678"	"34588299"
"686266"	686266	"4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine"	"CN(C)c1nc(Cl)c2c(C)c(C)oc2n1"	0	""	""	1	1	"389700"	NA
"686288"	686288	"Aminoflavone"	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(N)c(F)c3"	0	"Db|DDI"	"Clinical trial"	5	4	"389710"	"165179351"
"686291"	686291	"(1S,7R,9R,10S,12S,14S)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one"	"CO[C@@]12C[C@@H](C)[C@]34O[C@H]3C[C@]5(C)O[C@]45CC1=C(C)C(=O)O2"	0	""	""	1	1	"389711"	NA
"686314"	686314	"2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol"	"Cc1ccc(O)c(c1)C(c2cc(C)ccc2O)c3cc(ccc3O)[N+](=O)[O-]"	0	""	""	1	1	"389722"	NA
"686325"	686325	"1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole"	"FC(F)(F)C1(OI(N=[N+]=[N-])c2ccccc12)C(F)(F)F"	0	""	""	1	1	"389734"	NA
"686334"	686334	"benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cycloh..."	"COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl"	0	""	""	1	1	"389737"	NA
"686336"	686336	"[17-[4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate"	"C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5nc6ccccc6[nH]5)[C@@]4(C)CC[C@H]23)C1)[C@H]7CC[C@H]8[C@@H]9CCC%10C[C@H](O)CC[C@]%10(C)[C@H]9CC[C@]78C"	0	""	""	2	2	"496334"	NA
"686337"	686337	""	"C[C@H](CCc1nc2cc(C)ccc2[nH]1)[C@H]3CC[C@H]4[C@@H]5CCC6C[C@@H](CC[C@]6(C)[C@H]5CC[C@]34C)OC(=O)C"	0	NA	NA	1	1	"521034"	NA
"686338"	686338	"Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate"	"COC(=O)CCCC(=O)C1=NN(Cc2ccccc2N1)c3ccc(Cl)cc3"	0	""	""	1	1	"389742"	NA
"686339"	686339	"Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate"	"COC(=O)CCCC(=O)\C(=N/Nc1ccc(Cl)cc1)\Nc2c(Cl)cccc2Cl"	0	""	""	3	1	"389743"	NA
"686340"	686340	"3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole"	"COc1ccc(cc1)c2onc(n2)N3CCCC3"	0	""	""	2	1	"389744"	NA
"686342"	686342	"2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile"	"CC1(C)OC(=C(C#N)C#N)C(=C1\C=C\c2ccncc2)C#N"	0	""	""	2	1	"5469325"	NA
"686349"	686349	"spiro[1,3-dithiole-2,7'(3'h)-[1,2]dithiolo[4,3-b]- thiop..."	"COC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OC)C(=O)OC)C(=O)SS3)C(=O)OC"	0	""	""	3	3	"389753"	NA
"686357"	686357	""	"COc1ccc2nc(N\N=C\C(=N\Nc3cc(C)c4cc(OC)ccc4n3)\C)cc(C)c2c1"	0	NA	NA	5	4	"582313"	NA
"686359"	686359	"5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione"	"CN(C)CCNc1ccc(NCCN(C)C)c2C(=O)c3scnc3C(=O)c12"	0	""	""	1	1	"389763"	NA
"686360"	686360	"3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol"	"Oc1c2Cc3cccc4Cc5cccc(Cc6cccc(Cc1ccc2)c6OCCOCCOCCOCCOc34)c5O"	0	""	""	1	1	"389764"	NA
"686361"	686361	"Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide"	"CSc1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	2	2	"389765"	NA
"686362"	686362	"N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide"	"COc1ccc2[nH]cc(C(=O)C(=O)N[C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4)c2c1"	0	""	""	2	2	"389766"	NA
"686363"	686363	"purino[7,8-a]quinazoline-5,9,11-trione, 6,8,10-trimethyl-"	"CN1C(=O)N(C)c2nc3N(C)C(=O)c4ccccc4n3c2C1=O"	0	""	""	3	3	"389767"	NA
"686364"	686364	"1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione"	"CN1C(=O)N(C)C2=C(N(C)C3=Nc4ccccc4C(=O)N23)C1=O"	0	""	""	1	1	"389768"	NA
"686365"	686365	"acetamide, n-(3-cyano-9,14-dihydro-9,14-dioxonaphtho[2,3..."	"FC(F)(F)C(=O)Nc1sc2C3=C(Oc4ccccc4c2c1C#N)C(=O)c5ccccc5C3=O"	0	""	""	2	2	"389769"	"158529589"
"686367"	686367	"acetic acid, 2-[(3-ethyl-3,4-dihydro-4-oxo- 2-quinazolin..."	"CCN1C(=Nc2ccccc2C1=O)SCC(=O)N\N=C\c3ccccc3"	0	""	""	3	2	"9571605"	NA
"686368"	686368	"quinazolin-4(3h)-one, 3-ethyl- 2-[[[5-(phenylamino)-1,3,..."	"CCN1C(=Nc2ccccc2C1=O)SCc3nnc(Nc4ccccc4)s3"	0	""	""	3	3	"389773"	NA
"686385"	686385	"3-[(3,5-Dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4cc(OCc5ccccc5)cc(OCc6ccccc6)c4)C(=O)Oc7ccccc17"	0	""	""	2	1	"54682817"	NA
"686393"	686393	"3-[[3-[Bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4cccc(c4)C(C5=C(O)c6ccccc6OC5=O)C7=C(O)c8ccccc8OC7=O)C(=O)Oc9ccccc19"	0	""	""	1	1	"54694511"	NA
"686394"	686394	"3-[(4,7-dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccc(O)cc3OC2=O)c4ccc(\C=C\c5ccccc5)cc4)C(=O)Oc6cc(O)ccc16"	0	""	""	1	1	"54686238"	NA
"686402"	686402	"2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone"	"COC1=NC(=CC(=O)N1C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"389798"	NA
"686409"	686409	"2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NC(CC(=O)O)C(=O)O)cc1"	0	""	""	1	1	"6109488"	NA
"686410"	686410	"2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide"	"Oc1ccccc1\C=C(/NC(=O)c2ccccc2)\C(=O)Nc3ccccc3C(=O)NCc4ccccc4"	0	""	""	1	1	"6477537"	NA
"686411"	686411	"2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	"OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C(=C\c3ccccc3O)\NC(=O)c4ccccc4"	0	""	""	1	1	"6477538"	NA
"686413"	686413	"2-[2-[(Z)-1-benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid"	"OC(=O)CC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	2	2	"6477540"	NA
"686417"	686417	"2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)Nc3ccccc3C(=O)NCc4ccccc4)cc1"	0	""	""	1	1	"5917744"	NA
"686420"	686420	"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide"	"NNC(=O)c1ccccc1NC(=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	1	1	"6477544"	NA
"686422"	686422	"2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)cc1"	0	""	""	1	1	"5917748"	NA
"686425"	686425	"2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide"	"OCCCNC(=O)c1ccccc1NC(=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	2	1	"6477546"	NA
"686426"	686426	"2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid"	"CC(NC(=O)\C(=C\c1ccccc1O)\NC(=O)c2ccccc2)C(=O)O"	0	""	""	1	1	"6477547"	NA
"686428"	686428	""	"O=C(N\C(=C/c1ccccc1)\C2=Nc3ccccc3C(=O)O2)c4ccccc4"	0	NA	NA	2	1	"521114"	NA
"686429"	686429	""	"OC(=O)CCC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	NA	NA	1	1	"521115"	NA
"686470"	686470	""	"o1c2cc3ccc2nc1c4ccc(cc4)nc5[nH]c(nc6ccc(cc6)c7oc8cc(ccc8n7)nc9[nH]c(n3)c%10ccccc9%10)c%11ccccc5%11"	0	NA	NA	1	1	"521128"	NA
"686473"	686473	"1h-inden-1-imine, 3,3'-(thio)bis[n-(4-methylphenyl)-2-ph..."	"Cc1ccc(cc1)\N=C/2\C(=C(SC3=C(\C(=N\c4ccc(C)cc4)\c5ccccc35)c6ccccc6)c7ccccc27)c8ccccc8"	0	""	""	2	2	"389841"	NA
"686481"	686481	"[2,2'-bi-1h-indene]-1,1'-diimine, 2,3-dihydro-n,n'-bis(2..."	"O=C1c2ccccc2\C(=N/c3ccc4ccccc4c3)\C1(C5=C(\C(=N\c6ccc7ccccc7c6)\c8ccccc58)c9ccccc9)c%10ccccc%10"	0	""	""	2	2	"389849"	NA
"686483"	686483	"4-chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine"	"ClC1=NSS/C/1=N/c2nonc2c3ccccc3"	0	""	""	1	1	"389851"	NA
"686489"	686489	"8-quinolinol, 5,5'-(1,3-dihydro-3-oxo- 1,1-isobenzofuran..."	"Cc1cc(c2cccnc2c1O)C3(OC(=O)c4ccccc34)c5cc(C)c(O)c6ncccc56"	0	""	""	2	2	"389858"	NA
"686492"	686492	"4,5,5-Trichloro-5H-1,2,3-dithiazole"	"ClC1=NSSC1(Cl)Cl"	0	""	""	1	1	"389862"	NA
"686496"	686496	"(3s)-benzyl-3-(2,3,4,6-tetra-o-pivaloyl-.beta.-d- glucop..."	"C[C@@H](CC(=O)OCc1ccccc1)OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C"	0	NA	NA	1	1	"521154"	NA
"686498"	686498	"(3s)-3-(2,3,4,6-tetra-o-pivaloyl-.beta.-d-glucopyranosyl..."	"C[C@@H](CCO)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C"	0	""	""	1	1	"389870"	NA
"686505"	686505	"6-Benzyloxyhexanal"	"O=CCCCCCOCc1ccccc1"	0	""	""	2	1	"389877"	NA
"686511"	686511	"C22H12F6O6S2"	"FC(F)(F)S(=O)(=O)Oc1ccc2ccccc2c1c3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34"	0	""	""	1	1	"389883"	NA
"686512"	686512	"Bis((diphenylphosphino)ethynyl)(phenyl)phosphine"	"c1ccc(cc1)P(C#CP(c2ccccc2)c3ccccc3)C#CP(c4ccccc4)c5ccccc5"	0	""	""	1	1	"389884"	NA
"686513"	686513	"1h-pyrrolo[1,2-a]indole-5,8-dione, 1,2-bis(acetyloxy)-9-..."	"COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C(OC(=O)C)C(Cn23)OC(=O)C"	0	""	""	2	2	"496347"	NA
"686514"	686514	"Salvilenone"	"CC(C)C1=C2OC(C)(C)c3ccc4c(C)ccc(C1=O)c4c23"	0	""	""	1	1	"389885"	NA
"686517"	686517	"(+)-neocryptotanshinone"	"C[C@@H](CO)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O"	0	""	""	1	1	"389888"	NA
"686518"	686518	"(-)-cryptotanshinone"	"C[C@H]1COC2=C1C(=O)C(=O)c3c4CCCC(C)(C)c4ccc23"	0	NA	NA	4	4	"521176"	"35825571"
"686519"	686519	"phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1..."	"Cc1coc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12"	0	""	""	2	2	"164676"	NA
"686521"	686521	""	"CC(C)c1c(O)c2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O[Si](C(C)C)(C(C)C)C(C)C"	0	NA	NA	1	1	"521179"	NA
"686549"	686549	"MEK inhibitor II"	"ClC1=C(N2C(=O)CCC2=O)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"389898"	NA
"686550"	686550	"butanamide, n-(3-chloro-1,4-dioxo-2-naphthalenyl)- n-(1-..."	"CCCC(=O)N(C(=O)CCC)C1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	2	2	"389899"	NA
"686551"	686551	"3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone"	"ClC1=C(N(C(=O)c2ccccc2)C(=O)c3ccccc3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	"389900"	NA
"686552"	686552	"1-(3-Chloro-1,4-dioxo-2-naphthyl)piperidine-2,6-dione"	"ClC1=C(N2C(=O)CCCC2=O)C(=O)c3ccccc3C1=O"	0	""	""	1	1	"389901"	NA
"686553"	686553	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-phenyl-"	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccccc6"	0	""	""	2	2	"4567749"	NA
"686554"	686554	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridi..."	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccccn6"	0	""	""	2	2	"4595742"	NA
"686555"	686555	"9h-quino[4,3,2-de]phenanthrolin-9-one, 2-(2-phenylethyle..."	"O=C1c2cccnc2c3nc(\C=C\c4ccccc4)cc5c6ccccc6nc1c35"	0	""	""	2	2	"6144589"	NA
"686556"	686556	"benzo[g]quinoline-5,10-dione, 4-[2-(dimethylamino) ethen..."	"CN(C)\C=C\c1ccnc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"5469342"	NA
"686557"	686557	"2-[3-(chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride"	"[O-][N+](=O)c1ccc2C(CCl)CN(C(=O)c3cc4ccc(cc4[nH]3)C(=O)NCCN5CCOCC5)c2c1"	0	""	""	1	1	"389903"	NA
"686559"	686559	""	"[O-][N+](=O)c1ccc2C(CCl)CN(C(=O)c3cc4ccc(cc4[nH]3)C(=O)NCCc5ccccn5)c2c1"	0	NA	NA	2	2	"521197"	NA
"686560"	686560	"[di-17.alpha./.beta.-(2-ethoxy-3-hydroxyestra-1,3,5(10)-..."	"CCOc1cc2[C@@H]3CC[C@@]4(C)C(CC[C@@H]4[C@H]3CCc2cc1O)OS(=O)OC5CC[C@H]6[C@@H]7CCc8cc(O)c(OCC)cc8[C@H]7CC[C@]56C"	0	NA	NA	2	2	"521198"	NA
"686561"	686561	"benzoic acid, 2-chloro-4-[[(2,5-dihydroxyphenyl)methyl]a..."	"CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl"	0	""	""	2	2	"389909"	NA
"686562"	686562	"3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1C2c3ccccc3c4ccccc24"	0	""	""	1	1	"389910"	NA
"686573"	686573	""	"BrC1=C(Br)C2(SCCS2)[C@H]3C[C@@H]1c4ccccc34"	0	NA	NA	2	2	"521210"	NA
"686575"	686575	"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccc(O)cc3OC2=O)c4ccc5ccccc5c4)C(=O)Oc6cc(O)ccc16"	0	""	""	1	1	"54680670"	NA
"686583"	686583	"N-[2-[3,5-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)NCCc2cc(OCc3ccccc3)cc(OCc4ccccc4)c2)cc1O"	0	""	""	1	1	"389930"	NA
"686585"	686585	"3-(3,4-dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide"	"Oc1cc(CCNC(=O)CCc2ccc(O)c(O)c2)cc(OCc3ccccc3)c1"	0	""	""	1	1	"389932"	NA
"686613"	686613	""	"CSC1=NC2=C(N=C([C@H]([C@H](CC(=O)c3ccccc3)c4ccccc4)C(N2)c5ccccc5)c6ccccc6)C(=O)N1C"	0	NA	NA	1	1	"521235"	NA
"686651"	686651	"1-cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide"	"CNC(=O)c1nnn(C2CCCCC2)c1S"	0	""	""	1	1	"3005250"	NA
"686653"	686653	""	"COc1ccc(cc1)n2nnc(C(=O)N)c2O"	0	NA	NA	1	1	"521239"	NA
"686655"	686655	"STL436708"	"FC(F)(F)C(=O)NNc1nc(cs1)c2ccccc2"	0	""	""	1	1	"389952"	NA
"686656"	686656	""	"Oc1c(nnn1c2cccc(c2)[N+](=O)[O-])C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	NA	NA	1	1	"521242"	NA
"686658"	686658	"2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide"	"NNC(=O)c1c(SCc2ccccc2)nc3c4ccccc4ccn13"	0	""	""	1	1	"389955"	NA
"686659"	686659	"AF-407/32638012"	"CCOC(=O)c1c(Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])nc3c4ccccc4ccn13"	0	""	""	2	1	"389956"	NA
"686660"	686660	"N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide"	"CSc1nc2c3ccccc3ccn2c1C(=O)N\N=C\c4ccccc4"	0	""	""	2	2	"9571608"	NA
"686661"	686661	"AF-407/34872015"	"CCOC(=O)c1c(SCc2ccccc2)nc3c4ccccc4ccn13"	0	""	""	1	1	"389958"	NA
"686662"	686662	"5-sulfanyl-1H-triazole-4-carboxylic acid"	"OC(=O)c1nn[nH]c1S"	0	""	""	1	1	"3005251"	NA
"686748"	686748	"3,4-dimethylbenzo[g]quinoline-4,10-dione"	"Cc1cnc2C(=O)c3ccccc3C(=O)c2c1C"	0	""	""	1	1	"389971"	"161237394"
"686783"	686783	"4-(chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine"	"CC1=NN(c2nc(N)nc(CCl)n2)C(C)(C)C1"	0	""	""	2	2	"389989"	NA
"686789"	686789	"AO-267/15176072"	"CC1=NN(CC1)c2nc(N)nc(CCl)n2"	0	""	""	1	1	"389995"	NA
"686790"	686790	"AF52"	"Nc1nc(CCl)nc(n1)N2CCOCC2"	0	""	""	1	1	"210892"	NA
"686791"	686791	"ALBB-023764"	"CN(C)c1nc(N)nc(CCl)n1"	0	""	""	1	1	"389996"	NA
"686926"	686926	"2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine"	"COc1cc2CCN3CCc4cc(OC)c(OC)cc4C3Cc2cc1OC"	0	""	""	1	1	"390003"	NA
"686937"	686937	""	"COc1ccc(CCCCl)c(c1)C2=NCCc3ccccc23"	0	NA	NA	1	1	"521304"	NA
"686939"	686939	""	"COc1ccc2C(=NCCc2c1)c3ccccc3CCCCl"	0	NA	NA	1	1	"521306"	NA
"686940"	686940	""	"ClCCCc1ccccc1C2=NCCc3ccccc23"	0	NA	NA	1	1	"521307"	NA
"686947"	686947	""	"COc1ccc(CC\N=C\2/OCc3ccccc23)cc1OC"	0	NA	NA	1	1	"521314"	NA
"686954"	686954	"2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	"COc1cc2CC3Cc4ccccc4CCN3Cc2cc1OC"	0	""	""	1	1	"390040"	NA
"686957"	686957	"STK416902"	"O=C(NCc1occc1)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	"840355"	NA
"686963"	686963	"Neuro_000425"	"COc1cc(cc(OC)c1OC)C2C=C(Oc3cc4OCOc4cc23)c5ccccc5"	0	""	""	3	2	"390049"	NA
"686965"	686965	"(5E)-5-ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one"	"C\C=C\1/CC2C(CCC2=O)C3C1Oc4ccccc34"	0	""	""	1	1	"5469352"	NA
"686968"	686968	"N-acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide"	"CC(=O)N(N1C(=O)NN=C1Cc2ccc(Cl)cc2)C(=O)C"	0	""	""	2	1	"390054"	NA
"686969"	686969	"4-anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2Nc3ccccc3)cc1"	0	""	""	1	1	"390055"	NA
"687002"	687002	""	"Oc1ccc(\C=C\2/CCCC(CN3CCCCC3)C2=O)cc1"	0	NA	NA	2	2	"521345"	NA
"687003"	687003	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1CN4CCCCC4"	0	NA	NA	1	1	"521346"	NA
"687004"	687004	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccccc3)\C2=O)cc1CN4CCCCC4"	0	NA	NA	2	2	"521347"	NA
"687005"	687005	""	"Cc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1"	0	NA	NA	2	1	"521348"	NA
"687006"	687006	""	"COc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1"	0	NA	NA	4	2	"521349"	NA
"687011"	687011	"stereoisomer of 672120 (MW=262)"	"C\C\1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1=O"	0	""	""	2	2	"5459262"	NA
"687012"	687012	"Parthenolid-8-one"	"C\C\1=C/CCC2(C)OC2C3OC(=O)C(=C)C3C(=O)C1"	0	""	""	1	1	"5469359"	NA
"687015"	687015	"11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	"Cc1cc2c3ccccc3nc4C(=O)c5ccccc5c(n1)c24"	0	""	""	1	1	"390073"	NA
"687016"	687016	"11-[(E)-2-phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(\C=C\c4ccccc4)cc5c6ccccc6nc1c35"	0	""	""	1	1	"5469360"	NA
"687022"	687022	""	"COC(=O)CC1C(COC(=O)C)OC(C1OC(=O)C)N2C=C(C)C(=O)NC2=O"	0	NA	NA	2	1	"521360"	NA
"687029"	687029	""	"[O-][N+]1=[N+]([O-])[C@@H]([C@@H]1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"521366"	NA
"687103"	687103	"[(1R,2R,4S,8R,9S,10R,15S)-9-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate"	"C[C@@H]1CCCC(=C)[C@@H]2CC[C@@](C)(O2)[C@@H](C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O)OC(=O)C"	0	""	""	1	1	"6712445"	NA
"687105"	687105	"[(1S,4E,6S,10E,14S)-6-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate"	"CC(=O)OC\C\1=C\[C@H](O)C(CC\C(=C\CC[C@]2(C)O[C@H]2CC1)\C)C(=C)C"	0	""	""	1	1	"5469363"	NA
"687141"	687141	"silane, 7-(2,3,4,5-tetramethoxy-6-methylphenyl)- 5-methy..."	"COc1c(C)c(C\C=C(/C)\CCCCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)c(OC)c(OC)c1OC"	0	""	""	3	1	"5469368"	NA
"687142"	687142	"5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol"	"COc1c(C)c(C\C=C(/C)\CCCCO)c(OC)c(OC)c1OC"	0	""	""	1	1	"5469369"	NA
"687148"	687148	"1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene"	"C\C(=C/Cc1ccc(F)cc1)\CCCCCC\C(=C\Cc2ccc(F)cc2)\C"	0	""	""	1	1	"5469375"	NA
"687159"	687159	"Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate"	"COC(=O)CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	"390133"	NA
"687160"	687160	"aplyronine a"	"COCC(N(C)C)C(=O)OC1C\C=C\C=C\C(=O)OC(C\C=C\C(CC(C)C\C=C(/C)\C(CCC(C)C(O)C1C)OC)OC)C(C)C(O)C(C)CCC(OC(=O)C(C)N(C)C)C(C)C(OC(=O)C)C(C)\C=C\N(C)C=O"	0	NA	NA	2	2	"48426271"	"151923841"
"687209"	687209	"3-ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2c(O)ccc3ccccc23"	0	""	""	1	1	"135493982"	NA
"687215"	687215	"3-(4-Methylphenyl)-5-((3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole"	"Cc1ccc(cc1)c2nc(Cc3n[nH]c(n3)c4ccc(C)cc4)n[nH]2"	0	""	""	1	1	"390147"	NA
"687225"	687225	"benzoic acid, 2-chloro-4-[[(3,6-dioxo-1,4-cyclohexadieny..."	"CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl"	0	""	""	2	2	"390157"	NA
"687304"	687304	"hydrazinecarbothioamide, 2-[[4-(acetyloxy)-5-methyl- 1-i..."	"CC(=O)Oc1cccc2c(\C=N\NC(=S)N)ncc(C)c12"	0	""	""	2	2	"9571611"	"171880390"
"687305"	687305	"4-(n-acetyl-n-ethylamino)isoquinoline-1-carboxaldehyde t..."	"CCN(C(=O)C)c1cnc(\C=N\NC(=S)N)c2ccccc12"	0	""	""	2	2	"9571612"	"171880492"
"687307"	687307	"3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione"	"CC1(C)CC(=O)C2(CC(CSc3ccccc3)C(CS(=O)(=O)c4ccccc4)C2)C(=O)C1"	0	""	""	1	1	"390162"	NA
"687308"	687308	"1h,7h-pyrimido[5,6,1-de]acridine-1,3(2h),7-trione, 2-[2-..."	"CN(C)CCCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	NA	NA	2	2	"521444"	NA
"687311"	687311	"acridine, 9-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-"	"CCSc1nnc(Sc2c3ccccc3nc4ccccc24)s1"	0	""	""	2	2	"390166"	NA
"687315"	687315	"N-dibenzofuran-3-ylthiophene-2-carbothioamide"	"S=C(Nc1ccc2c(oc3ccccc23)c1)c4cccs4"	0	""	""	1	1	"3005257"	NA
"687319"	687319	""	"CN1CCCS(=O)(=O)/C/1=N\S(=O)(=O)c2ccc(C)cc2"	0	NA	NA	1	1	"521453"	NA
"687321"	687321	""	"CC1(C)C\C(=N\O)\c2c(C1)nc3ccc4ccccc4c3c2c5ccc(Cl)cc5"	0	NA	NA	1	1	"521455"	NA
"687330"	687330	"adenosine, 2'-amino-2'-deoxy-3',5'- o-[1,1,3,3-tetrakis(..."	"CC(C)[Si]1(OCC2OC(C(N)C2O[Si](O1)(C(C)C)C(C)C)n3cnc4c(N)ncnc34)C(C)C"	0	""	""	2	2	"390181"	"160056495"
"687344"	687344	"ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1[nH]cc(C)c1c2c[nH]c3ccccc23"	0	""	""	2	2	"390183"	NA
"687352"	687352	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide"	"CCCCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCCCCCC"	0	""	""	2	2	"390191"	NA
"687353"	687353	"1-(3-diethylaminopropylamino)-5-methyl-6h-pyridazino[4,5..."	"CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccccc4c3cc12"	0	""	""	3	3	"390192"	NA
"687354"	687354	"1h-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"COC(=O)[C@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)N(C3=O)c4ccccc4"	0	""	""	2	2	"390193"	NA
"687355"	687355	"1h-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"CC(=O)OCC1OC(O[C@H]2C=C[C@H](N3N2C(=O)N(C3=O)c4ccccc4)C(=O)OCc5ccccc5)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	"390194"	NA
"687367"	687367	"[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(OP(=O)(O)OCC3OC(CC3O)N4C=C(CC)C(=O)NC4=O)C(CO)O2"	0	""	""	1	1	"390210"	NA
"687368"	687368	"[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)O)O2"	0	""	""	2	2	"390211"	NA
"687369"	687369	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(OP(=O)(O)OCC3OC(CC3OC(=O)C)N4C=C(F)C(=O)NC4=O)C(CO)O2"	0	""	""	2	2	"390212"	NA
"687370"	687370	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(OP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(CO)O2"	0	""	""	1	1	"390213"	NA
"687453"	687453	"2-propenoic acid, 3-[2,3-dihydro-2-(4-hydroxy- 3-methoxy..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	3	3	"521499"	NA
"687454"	687454	"2-ethoxy-3-hydroxy-17.alpha./.beta.-aminoestra-1,3,5(10)..."	"CCOc1cc2[C@H]3CC[C@]4(C)C(N)CC[C@H]4[C@@H]3CCc2cc1O"	0	NA	NA	2	2	"521500"	NA
"687496"	687496	"Neuro_000427"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)n3cnc4c(N)nc(nc34)C#C[Si](C)(C)C"	0	""	""	2	2	"390224"	NA
"687510"	687510	"[5-(6-Amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate"	"Nc1nc(nc2c1ncn2C3OC(COS(=O)(=O)N)C(O)C3O)C#C"	0	""	""	2	2	"390226"	NA
"687521"	687521	"2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	1	1	"390229"	NA
"687522"	687522	"2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	3	2	"390230"	NA
"687523"	687523	"1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole"	"[O-][N+](=O)c1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	3	2	"390231"	NA
"687524"	687524	"pyrazino[1,2-a]benzimidazole, 1-methylene- 3_(4-methylph..."	"Cc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	3	2	"390232"	NA
"687526"	687526	"2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(C)cc5"	0	""	""	3	3	"390234"	NA
"687527"	687527	"pyrazino[1,2-a]benzimidazole, 3-(4-methoxyphenyl)- 1-met..."	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	4	4	"390235"	NA
"687528"	687528	"2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(OC)cc5"	0	""	""	1	1	"390236"	NA
"687529"	687529	"3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	1	1	"390237"	NA
"687530"	687530	"3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(Cl)cc5"	0	""	""	1	1	"390238"	NA
"687531"	687531	"Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	"COC(=O)CC1CN(C(=O)OCc2ccccc2)C(C)(C)O1"	0	""	""	1	1	"390239"	NA
"687533"	687533	"Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate"	"Cc1ccc(cc1)S(=O)(=O)OCCC2CN(C(=O)OCc3ccccc3)C(C)(C)O2"	0	""	""	1	1	"390241"	NA
"687534"	687534	"Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	"CC1(C)OC(CCC#N)CN1C(=O)OCc2ccccc2"	0	""	""	1	1	"390242"	NA
"687541"	687541	"2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide"	"CC(C)CC(NC(=O)C(COc1ccc(cc1)[N+](=O)[O-])Cc2ccccc2)C(=O)Nc3ccccc3"	0	""	""	1	1	"390249"	NA
"687543"	687543	""	"OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"521528"	NA
"687550"	687550	"6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one"	"CN1N(C(=O)C2=NC=C(C(=O)C)C12C)c3ccccc3"	0	""	""	1	1	"390258"	NA
"687556"	687556	"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide"	"SC1=C(C#N)C(=C(C#N)C(=O)N1NS(=O)(=O)c2ccccc2)c3ccc(Cl)cc3"	0	""	""	1	1	"390264"	NA
"687561"	687561	"N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)S"	0	""	""	1	1	"390269"	NA
"687562"	687562	"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	"COc1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)S"	0	""	""	1	1	"390270"	NA
"687572"	687572	"N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide"	"COc1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)O"	0	""	""	1	1	"390280"	NA
"687578"	687578	"N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)C2=C(C#N)C(=C(C#N)C(=O)N2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4"	0	""	""	1	1	"390286"	NA
"687584"	687584	"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccccc3)C(=C2C#N)O"	0	""	""	1	1	"390292"	NA
"687585"	687585	"N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)O"	0	""	""	1	1	"390293"	NA
"687589"	687589	"N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide"	"Cc1ccc(cc1)C2=C(C#N)C(=C(C#N)C(=O)N2NS(=O)(=O)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"390297"	NA
"687598"	687598	"1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide"	"COc1cccc(NC(=O)C2=C(N)N(N)C(=O)C(=C2SC)C#N)c1"	0	""	""	1	1	"390306"	NA
"687601"	687601	"STK993185"	"CSC(=C1C(=NN(C1=O)c2ccccc2)C)SC"	0	""	""	1	1	"390309"	NA
"687606"	687606	"3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide"	"CSc1c(C(=O)Nc2ccc(C)cc2)c(N)nn1c3ccccc3"	0	""	""	1	1	"390314"	NA
"687608"	687608	"5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide"	"COc1ccc(NC(=O)C2=C(SC)C(C#N)C(=O)N=C2N)cc1"	0	""	""	1	1	"390316"	NA
"687612"	687612	""	"CCOC(=O)\C(=C/NC1=C(C)N(C)N(C1=O)c2ccccc2)\C(=O)c3ccccc3"	0	NA	NA	1	1	"521597"	NA
"687663"	687663	"AB01318947-02"	"Brc1cccc(\C=C\2/Cc3ccccc3C2=O)c1"	0	""	""	1	1	"5469389"	NA
"687667"	687667	"6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one"	"COc1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	2	2	"5351433"	NA
"687669"	687669	"(6E)-6-(p-tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one"	"Cc1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	1	1	"1241474"	NA
"687676"	687676	"5T-0302"	"CN(C)c1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	2	2	"1427939"	NA
"687677"	687677	"2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol"	"OCCN(CCO)c1ccc2c(cc(nc2n1)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"390341"	NA
"687707"	687707	"STK833340"	"CC(C)(C)c1cc(nn1c2ccccc2)c3cc(n(n3)c4ccccc4)C(C)(C)C"	0	""	""	1	1	"390368"	NA
"687712"	687712	"AK-60394"	"O=C1OI(C#N)c2ccccc12"	0	""	""	1	1	"390370"	NA
"687715"	687715	"3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile"	"FC(F)(F)C1(OI(C#N)c2ccccc12)C(F)(F)F"	0	""	""	1	1	"390373"	NA
"687744"	687744	"methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid"	"COC(=O)[C@@H](NC(=O)[C@H](N)Cc1ccc(cc1)N(CCCl)CCCl)C(C)C"	0	""	""	2	2	"390389"	NA
"687746"	687746	"4-(Pyrrolizinoazo)anisole"	"COc1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	"390392"	NA
"687747"	687747	"1-(4-Fluorophenylazo)pyrrolidine"	"Fc1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	"390393"	NA
"687749"	687749	"N-(4-trifluoromethylphenylazo)pyrrolidine"	"FC(F)(F)c1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	"390395"	NA
"687751"	687751	"1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene"	"[O-][N+](=O)c1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	"390397"	NA
"687763"	687763	"2-(2,6-dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide"	"Clc1cccc(Cl)c1NCC(=O)NC2C=Cc3ccc(cc3C2=O)S(=O)(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	"390409"	NA
"687767"	687767	"2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide"	"CC(=O)c1ccccc1NCC(=O)NN2C=Nc3ccc(cc3C2=O)S(=O)(=O)Nc4ccccc4C(=O)C"	0	""	""	1	1	"390413"	NA
"687773"	687773	"3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	"COc1ccccc1NS(=O)(=O)c2ccc3N=CN(NS(=O)(=O)c4ccc(Cl)cc4)C(=O)c3c2"	0	""	""	1	1	"390419"	NA
"687774"	687774	"3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	"COc1ccc(NS(=O)(=O)c2ccc3N=CN(NS(=O)(=O)c4ccc(I)cc4)C(=O)c3c2)cc1"	0	""	""	1	1	"390420"	NA
"687779"	687779	"3-({6-[(2-Carboxyphenyl)sulfamoyl]-4-oxoquinazolin-3(4h)-yl}sulfamoyl)-4-methylbenzoic acid"	"Cc1ccc(cc1S(=O)(=O)NN2C=Nc3ccc(cc3C2=O)S(=O)(=O)Nc4ccccc4C(=O)O)C(=O)O"	0	""	""	1	1	"390425"	NA
"687780"	687780	"3-methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide"	"CC1=Cc2ccc(cc2C(=O)N1NS(=O)(=O)c3ccc(C)cc3)S(=O)(=O)Nc4ccccc4[N+](=O)[O-]"	0	""	""	1	1	"390426"	NA
"687781"	687781	"N-[4-[[3-[(4-Acetamidophenyl)sulfonylamino]-2-methyl-4-oxoquinazolin-6-yl]sulfonylamino]phenyl]acetamide"	"CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3N=C(C)N(NS(=O)(=O)c4ccc(NC(=O)C)cc4)C(=O)c3c2)cc1"	0	""	""	2	1	"390427"	NA
"687786"	687786	"2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide"	"CC1=Nc2ccc(cc2C(=O)N1NS(=O)(=O)c3ccc(cc3)c4ccccc4)S(=O)(=O)NS(=O)(=O)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	"390432"	NA
"687793"	687793	"1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol"	"COc1ccc(cc1OC)C2CC(=NN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4c(O)ccc5ccccc45"	0	""	""	2	2	"390439"	NA
"687801"	687801	"1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CC(=O)N1N=C(CC1c2ccc(Cl)cc2Cl)c3ccc4ccccc4c3O"	0	""	""	1	1	"390447"	NA
"687802"	687802	"(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone"	"CC(=O)N1N=C(CC1C(=O)c2occc2)c3ccc4ccccc4c3O"	0	""	""	1	1	"390448"	NA
"687807"	687807	"[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone"	"Oc1c(ccc2ccccc12)C3=NN(C(C3)C(=O)c4occc4)c5ccc(cc5[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"390453"	NA
"687813"	687813	"2-[[2-(furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione"	"O=C(C1SCC(=O)N1NC2=NC(=O)CC(=O)N2)c3occc3"	0	""	""	1	1	"135450451"	NA
"687826"	687826	"4-Phenyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one"	"O=C1NC(=Nc2c1sc3nc4ccccc4n23)c5ccccc5"	0	""	""	2	1	"135489880"	NA
"687849"	687849	"1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one"	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=O)C=C)cc1"	0	""	""	2	2	"5351434"	NA
"687850"	687850	"4-piperidinone, 3,5-bis[(4-fluorophenyl)methylene]- 1-(1..."	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)C=C)cc1"	0	""	""	2	2	"5469427"	NA
"687851"	687851	"4-piperidinone, 3,5-bis[(4-methoxyphenyl)methylene]- 1-(..."	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)C=C)cc1"	0	NA	NA	2	2	"521763"	NA
"687852"	687852	"4-piperidinone, 3,5-bis[(4-nitrophenyl)methylene]- 1-(1-..."	"[O-][N+](=O)c1ccc(\C=C\2/CN(C\C(=C/c3ccc(cc3)[N+](=O)[O-])\C2=O)C(=O)C=C)cc1"	0	NA	NA	2	2	"521764"	NA
"687853"	687853	""	"CN(C)c1ccc(\C=C\2/CN(C\C(=C/c3ccc(cc3)N(C)C)\C2=O)C(=O)C=C)cc1"	0	NA	NA	1	1	"521765"	NA
"687854"	687854	""	"COc1ccc(\C=C\C(=O)CCN2CCN(CCC(=O)\C=C\c3ccc(OC)cc3)CC2)cc1"	0	NA	NA	1	1	"521766"	NA
"687861"	687861	"[3,4-Dibenzoyloxy-5-[4-naphthalen-1-yl-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate"	"O=C(OCC1OC(C(OC(=O)c2ccccc2)C1OC(=O)c3ccccc3)N4N=C(Cn5nnc(n5)c6cccnc6)N(C4=S)c7cccc8ccccc78)c9ccccc9"	0	""	""	1	1	"390493"	NA
"687868"	687868	"1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea"	"COc1ccc(NC(=S)NNC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1"	0	""	""	1	1	"3005271"	NA
"687870"	687870	"1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea"	"Cc1ccc(NC(=S)NNC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1C"	0	""	""	1	1	"3005273"	NA
"687937"	687937	"OKVIIDPNUHUPCM-UHFFFAOYSA-N"	"OCC(CO)NC(=O)c1ccc2cc([nH]c2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	"390505"	NA
"687938"	687938	"Pervilleine A"	"COc1cc(\C=C\C(=O)OC2C(O)C3CC(CC2N3C)OC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	1	1	"5459292"	NA
"687939"	687939	"methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate"	"COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@]2([C@@H]1c4ccccc4)c5ccc6OCOc6c5"	0	""	""	2	1	"390507"	NA
"687945"	687945	"benzoic acid, 2-hydroxy-4-[[(2,5-dihydroxyphenyl)-methyl..."	"COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O"	0	""	""	2	2	"390508"	"151391923"
"687956"	687956	""	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2(C1)OO"	0	NA	NA	1	1	"521796"	NA
"687957"	687957	""	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2(C1)OO"	0	NA	NA	1	1	"521797"	NA
"687958"	687958	"6-(1,5-Dimethyl-3-oxo-hexyl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one"	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2C1"	0	""	""	1	1	"390517"	NA
"687961"	687961	"Artocarpetin A"	"COc1cc(O)c2C(=O)C=C(Oc2c1CC=C(C)C)c3ccc(O)cc3O"	0	""	""	1	1	"390520"	NA
"687962"	687962	"Paclitaxel Ceribate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OCC(O)CO"	0	""	""	2	2	"390521"	NA
"687963"	687963	"(2S)-4-[(13S)-13-hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one"	"CC(O)CCCCC(O)CCC[C@H](O)[C@H]1CCC(O1)[C@H]2CCC(O2)[C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O"	0	""	""	1	1	"6712448"	NA
"687964"	687964	"(2S)-4-[(13R)-13-hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(O1)[C@H](O)CCCCC(=O)CCCCCCCC2=C[C@H](C)OC2=O"	0	""	""	2	2	"390523"	NA
"687965"	687965	"(5s)-3-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-5-methyl-5h-furan-2-one"	"CCCCCCCCCCCCCOCCOCCOCCCCC(O)CCCCCCCCCC1=C[C@H](C)OC1=O"	0	""	""	1	1	"390524"	NA
"687966"	687966	"(2S)-4-[12-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]-8-hydroxydodecyl]-2-methyl-2H-furan-5-one"	"CCCCCCCCCCOCCOCCOCCOCCCCC(O)CCCCCCCC1=C[C@H](C)OC1=O"	0	""	""	2	2	"390525"	NA
"687969"	687969	"5H-Quinindoline"	"c1ccc2nc3[nH]c4ccccc4c3cc2c1"	0	""	""	2	2	"67484"	NA
"687980"	687980	"(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CC=C4CC(CC[C@]34C)N5CCCC5)[C@@H]1C[C@H](C2O)n6ccnc6"	0	""	""	1	1	"390532"	NA
"687981"	687981	"[(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate"	"CC(=O)OC1[C@@H](C[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)n6ccnc6"	0	""	""	1	1	"390533"	NA
"688021"	688021	"phosphorodiamidic acid, n,n-bis(2-bromoethyl)-, (5-nitro..."	"NP(=O)(OCc1ccc(s1)[N+](=O)[O-])N(CCBr)CCBr"	0	""	""	2	2	"390534"	NA
"688022"	688022	"phosphorodiamidic acid, n,n-bis(2-bromoethyl)-, (5-nitro..."	"NP(=O)(OCc1oc(cc1)[N+](=O)[O-])N(CCBr)CCBr"	0	""	""	2	2	"390535"	NA
"688023"	688023	"phosphorodiamidic acid, n,n-bis(2-bromoethyl)-, (1,4-dio..."	"NP(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr"	0	""	""	2	2	"390536"	NA
"688026"	688026	""	"CCN1CCC(O)(\C=C\c2cccc(C)c2)C(C1)C(=O)\C=C\c3cccc(C)c3"	0	NA	NA	2	1	"521819"	NA
"688027"	688027	"(2R,4R)-2,6,6-trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide"	"CCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@](=O)(C)O1"	0	""	""	2	2	"9572011"	NA
"688028"	688028	""	"CCCCCCCCCCCCCCC[C@@H](O)C[N+](C)(C)CCO"	0	NA	NA	3	3	"521821"	NA
"688035"	688035	"1-benzyloxymethyl-6-nitro-2,4(1h,3h)-quinazolinedione"	"[O-][N+](=O)c1ccc2N(COCc3ccccc3)C(=O)NC(=O)c2c1"	0	""	""	1	1	"390547"	NA
"688041"	688041	"1-Fluoro-2,4-dinitro-imidazole"	"[O-][N+](=O)c1cn(F)c(n1)[N+](=O)[O-]"	0	""	""	2	2	"390555"	NA
"688045"	688045	"(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone"	"CC(C)[C@H]1NC(=O)[C@H]2N=C(S[C@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CSC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7CSC1=N7"	0	""	""	1	1	"390559"	NA
"688046"	688046	"(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone"	"CC(C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5COC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7COC1=N7"	0	""	""	1	1	"390560"	NA
"688047"	688047	"(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone"	"CC(C)[C@@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CSC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7CSC1=N7"	0	""	""	1	1	"390561"	NA
"688071"	688071	"2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)N"	0	""	""	2	2	"390563"	NA
"688074"	688074	"physalin h"	"C[C@@]12C[C@H]3OC(=O)C1CO[C@]45O[C@@]6([C@H]2C4=O)[C@@]3(C)OC(=O)[C@]6(O)CC[C@H]7[C@H]5C[C@@H](O)[C@@]8(Cl)CC=CC(=O)[C@]78C"	0	NA	NA	2	2	"521842"	"70241097"
"688077"	688077	"tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate"	"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)c1nc(cs1)C(=O)N"	0	""	""	1	1	"390568"	NA
"688111"	688111	"5-(Pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidin-2-amine"	"Nc1ncc2C(Oc3ccccc3c2n1)N4CCCC4"	0	""	""	1	1	"390588"	NA
"688217"	688217	"Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)"	"NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"	0	""	""	1	1	"390616"	NA
"688219"	688219	"[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate"	"C\C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)\C(=C\[C@@]23O[C@@]2(C[C@@H](C)C3=O)C(=O)[C@@H](C)[C@H](OC(=O)C)[C@@H]4[C@H]1C4(C)C)\C"	0	""	""	1	1	"5469438"	NA
"688220"	688220	"[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate"	"CCC(C)C(=O)O[C@H]1[C@@H](O)C(C)(C)\C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@@H](OC(=O)C(C)CC)C(=C)[C@@H]1OCC(C)C"	0	""	""	2	2	"5469439"	NA
"688222"	688222	"(1R,2R,6R,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one"	"CC(C)CO[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OCC(C)C)CO"	0	""	""	2	2	"390621"	NA
"688228"	688228	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate"	"CC(C)CO[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)\C=C\[C@H](C)C(=O)[C@]2(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@@]13OC(=O)c4ccccc4)OC(=O)C"	0	""	""	1	1	"5469441"	NA
"688229"	688229	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate"	"CCCO[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)\C=C\[C@H](C)C(=O)[C@]2(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@@]13OC(=O)c4ccccc4)OC(=O)C"	0	""	""	1	1	"5469442"	NA
"688230"	688230	"[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate"	"C\C=C(\C)/C(=O)O[C@H]1C(=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(COC(=O)C)[C@@H](O)[C@]12O)C3=O)[C@]4(C)OC(=O)\C(=C/C)\C)C"	0	""	""	2	2	"54608453"	NA
"688233"	688233	"MEGxp0_001935"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@@](C)([C@H]2OC(=O)C)C4OC(=O)C)OC(=O)C"	0	""	""	2	1	"11972628"	NA
"688234"	688234	"2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol"	"CC1CCC2C(C)(C)CC3(C)CCC1C23O"	0	""	""	1	1	"390632"	NA
"688235"	688235	"[(1R,2R,3aR,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate"	"CC(C)CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)\C=C\[C@H](C)[C@H](OC(=O)C)[C@@]3(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@@H](OC(=O)C)C1=C"	0	""	""	2	2	"5469445"	NA
"688237"	688237	"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)C)[C@]4(C)C[C@]5(OC(=O)C)[C@@H](CC(C)(C)C5=O)[C@]4(C)[C@H]2OC(=O)C"	0	""	""	1	1	"390635"	NA
"688239"	688239	"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H]([C@H](OC(=O)C)C(C)(C)C5=O)[C@](C)(C4)[C@H]2OC(=O)C)OC(=O)C"	0	""	""	2	2	"11972629"	NA
"688246"	688246	"Juvenate"	"COC(=O)\C=C(/C)\CC\C=C(/C)\CCC1OC1(C)C"	0	""	""	1	1	"5367549"	NA
"688259"	688259	"Taspine"	"COc1ccc2C(=O)Oc3c(OC)cc(CCN(C)C)c4C(=O)Oc1c2c34"	0	""	""	1	1	"215159"	NA
"688274"	688274	"[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](OC(=O)C(C)(C)CO)[C@@H]14"	0	""	""	2	2	"390662"	NA
"688277"	688277	"isopinnatal"	"C[C@@]12CCC3C1C=C4C(=O)c5cc(O)ccc5C(=O)[C@]4(O2)[C@@]3(C)C=O"	0	""	""	1	1	"390665"	NA
"688285"	688285	"7,8-Dehydrocalotropin"	"C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC=C5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1"	0	NA	NA	2	2	"521950"	NA
"688298"	688298	"[co(me2dtc)2(dee)]clo4"	"CC[N+]1(CC)CC[NH2+][Co+3]123([SH-]C(=S2)N(C)C)[SH-]C(=S3)N(C)C.[O-]Cl(=O)(=O)=O"	0	NA	NA	1	1	"582328"	NA
"688303"	688303	"Neuro_000437"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(NO)cc34"	0	""	""	2	1	"390671"	NA
"688304"	688304	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(NCCN)cc34"	0	NA	NA	2	2	"521956"	NA
"688305"	688305	"(3-methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(=C)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	"390674"	NA
"688315"	688315	"2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide"	"COc1ccccc1C(=O)NCC2CCCN3CCCCC23"	0	""	""	1	1	"390679"	NA
"688325"	688325	""	"Cc1cc(nc(Cl)n1)[C@H](C#N)c2nc3ccccc3s2"	0	NA	NA	1	1	"521971"	NA
"688326"	688326	""	"Cc1cc(nc(Cl)n1)[C@H](C#N)c2nc3ccccc3[nH]2"	0	NA	NA	1	1	"521972"	NA
"688328"	688328	""	"Clc1nc2ccccc2nc1[C@H](C#N)c3nc4ccccc4s3"	0	NA	NA	1	1	"521974"	NA
"688329"	688329	""	"Clc1nc2ccccc2nc1[C@H](C#N)c3nc4ccccc4[nH]3"	0	NA	NA	2	2	"521975"	NA
"688340"	688340	"Dimethyl [2-(phenylthio)ethyl]malonate"	"COC(=O)C(CCSc1ccccc1)C(=O)OC"	0	""	""	1	1	"390699"	NA
"688342"	688342	"3-Butyl-1,4-dihydropyrazol-5-one"	"CCCCC1=NNC(=O)C1"	0	""	""	1	1	"390701"	NA
"688346"	688346	"1-(2-cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea"	"O=C(Nc1ccccc1)N(CCCN(CCC#N)C(=O)Nc2ccccc2)CCCN(C(=O)Nc3ccccc3)c4ccccc4"	0	""	""	2	1	"390704"	NA
"688349"	688349	"1-(2-Cyanoethyl)-1',3,3'-triphenyl[1,1'-ethylenebisurea]"	"O=C(Nc1ccccc1)N(CCC#N)CCN(C(=O)Nc2ccccc2)c3ccccc3"	0	""	""	2	1	"390707"	NA
"688351"	688351	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c3ccccc3"	0	NA	NA	1	1	"521988"	NA
"688358"	688358	"3-[1-[2-[1-[2-(1,3-Diphenylureido)ethyl]-3-phenylureido]ethyl]-3-phenylureido]propiononitrile"	"O=C(Nc1ccccc1)N(CCC#N)CCN(CCN(C(=O)Nc2ccccc2)c3ccccc3)C(=O)Nc4ccccc4"	0	""	""	1	1	"390716"	NA
"688360"	688360	""	"CC[C@H](C)[C@H](NC(=O)N(CCC#N)CCN(CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)c2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)OC)C(=O)OC"	0	NA	NA	1	1	"521997"	NA
"688362"	688362	"N-(9-Ethylpurin-6-yl)acetamide"	"CCn1cnc2c(NC(=O)C)ncnc12"	0	""	""	1	1	"390720"	NA
"688365"	688365	""	"CCOC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC)c3ccccc3)ccc1OC"	0	NA	NA	1	1	"522002"	NA
"688371"	688371	""	"CCN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSC)C(=O)N[C@@H](C)C(=O)OC)c1ccccc1"	0	NA	NA	1	1	"522008"	NA
"688484"	688484	""	"[NH3+][Pt+2]([NH3+])([ClH-])[NH2+]CCCCCC[NH2+][Pt+2]([NH3+])([NH3+])[NH2+]CCCCCC[NH2+][Pt+2]([NH3+])([NH3+])[ClH-].[O-][N+](=O)[O-]"	0	NA	NA	2	2	"582330"	NA
"688493"	688493	"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4cc(Cl)ccc4[n+]3[O-]"	0	""	""	2	2	"390734"	NA
"688497"	688497	"N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide"	"[O-][n+]1onc(c1\C=N\NC(=O)N2CCOCC2)c3ccccc3"	0	""	""	1	1	"135493990"	NA
"688500"	688500	"5-(4-Methoxyphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one"	"COc1ccc(cc1)N2CC3=Nc4sc5CCCCc5c4C(=O)N3N=C2"	0	""	""	1	1	"390741"	NA
"688501"	688501	"5-(4-Chlorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one"	"Clc1ccc(cc1)N2CC3=Nc4sc5CCCCc5c4C(=O)N3N=C2"	0	""	""	1	1	"390742"	NA
"688515"	688515	"[6-[[(5S,8aR,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(4-methylpiperazin-1-yl)acetate"	"COc1cc(cc(OC)c1OC(=O)CN2CCN(C)CC2)[C@H]3[C@@H]4C(COC4=O)[C@H](OC5OC6COC(C)OC6C(OC(=O)CN7CCN(C)CC7)C5OC(=O)CN8CCN(C)CC8)c9cc%10OCOc%10cc39"	0	""	""	1	1	"390757"	NA
"688526"	688526	"Ethyl 5-(2-chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(C=Nc1c23)c4ccccc4Cl"	0	""	""	1	1	"390763"	NA
"688529"	688529	"(E)-(4-Acetyloxy-4-cyano-2-methylbutan-2-yl)-[(4-acetyloxy-4-cyano-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium"	"CC(=O)OC(CC(C)(C)[N+](=[N+]([O-])C(C)(C)CC(OC(=O)C)C#N)[O-])C#N"	0	""	""	1	1	"135493991"	NA
"688531"	688531	"1h-pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)..."	"Cc1ccc(cc1)S(=O)(=O)c2[nH]cc(\C(=C/C3CCCCC3)\[N+](=O)[O-])c2C4CCCCC4"	0	NA	NA	2	2	"522046"	NA
"688535"	688535	"methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate"	"COC(=O)Cc1c([nH]c2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	""	""	2	2	"390772"	NA
"688537"	688537	"5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol"	"CC(Cc1ccccc1)Nc2ncnc3c2ncn3C4OC(CO)CC4O"	0	""	""	1	1	"496402"	NA
"688541"	688541	"7-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one"	"OCC1OC(CC1O)n2cnc3C(=O)N(Cc4ccccc4[N+](=O)[O-])N=Nc23"	0	""	""	1	1	"390776"	NA
"688542"	688542	"5'-o-(dimethoxytrityl)-n(sup 1)-(2-nitrobenzyl)-2-azaino..."	"COc1ccc(cc1)C(OCC2OC(C(O)C2O)n3cnc4C(=O)N(Cc5ccccc5[N+](=O)[O-])N=Nc34)(c6ccccc6)c7ccc(OC)cc7"	0	""	""	2	2	"390777"	NA
"688687"	688687	"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-2..."	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4c(CCl)c5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	"440801137"	NA
"688689"	688689	"1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1cc(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	"390778"	NA
"688713"	688713	""	"C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CCC(OC(=O)c5cccc6C(=O)c7ccccc7Nc56)[C@@]4(C)CC[C@@H]3[C@@]12C"	0	NA	NA	1	1	"522059"	NA
"688714"	688714	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2OC(=O)c6cccc7C(=O)c8ccccc8Nc67"	0	NA	NA	1	1	"522060"	NA
"688719"	688719	"N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	"COc1ccccc1Nc2nc(N)nc(N)c2N=O"	0	""	""	1	1	"390785"	NA
"688720"	688720	"N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	"COc1cccc(Nc2nc(N)nc(N)c2N=O)c1"	0	""	""	1	1	"390786"	NA
"688724"	688724	"N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine"	"CCOc1ccc(Nc2nc(N)nc(N)c2N)cc1"	0	""	""	1	1	"390790"	NA
"688726"	688726	"3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine"	"COc1cccc(c1)n2nnc3c(N)nc(N)nc23"	0	""	""	1	1	"390792"	NA
"688791"	688791	"benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienylmethyl]a..."	"COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1O"	0	""	""	1	1	"390795"	NA
"688792"	688792	"phenylphosphonic acid, 4-[[(2,5-dihydroxyphenyl)methyl]a..."	"COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	2	1	"390796"	NA
"688794"	688794	"7,8-Diacetoxy-4-methylcoumarin"	"CC(=O)Oc1ccc2C(=CC(=O)Oc2c1OC(=O)C)C"	0	""	""	1	1	"390798"	NA
"688804"	688804	"Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate"	"CCOC(=O)CC1=C(C)c2ccc(OC(=O)C)c(OC(=O)C)c2OC1=O"	0	""	""	1	1	"390806"	NA
"688810"	688810	"Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC"	0	""	""	1	1	"390808"	NA
"688812"	688812	""	"CCOC(=O)CC[C@H](NC(=O)c1ccc(CNc2nc3cc(ccc3nc2C(=O)OCC)C(F)(F)F)cc1)C(=O)OCC"	0	NA	NA	2	2	"522096"	NA
"688814"	688814	"Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	2	"390812"	NA
"688816"	688816	"Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	"390814"	NA
"688818"	688818	"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid"	"COc1cc(CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"390816"	NA
"688822"	688822	"Q27453567"	"OC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	"390820"	NA
"688881"	688881	""	"OC[C@H](O)[C@@H](OCc1ccccc1)[C@H](NCc2ccccc2)c3cccs3"	0	NA	NA	1	1	"522109"	NA
"688892"	688892	""	"CC1[C@H](COC(=O)N1Cc2ccccc2)OCc3ccccc3"	0	NA	NA	1	1	"522120"	NA
"688895"	688895	""	"CC(C)C[C@H]1[C@H](COS(=O)(=O)N1[C@H](C)c2ccccc2)OCc3ccccc3"	0	NA	NA	3	3	"522123"	NA
"688937"	688937	"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one"	"Cc1ccc(\C=C\2/NC(=S)N(CN3CCCCC3)C2=O)cc1"	0	""	""	1	1	"5469474"	NA
"688943"	688943	"(5Z)-5-[(4-methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one"	"COc1ccc(\C=C\2/N=C(SC)N(CN3CCOCC3)C2=O)cc1"	0	""	""	1	1	"5469480"	NA
"688944"	688944	"(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one"	"CSC1=N\C(=C/c2ccc(C)cc2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	"5469481"	NA
"688945"	688945	"(5Z)-5-[(4-chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one"	"CSC1=N\C(=C/c2ccc(Cl)cc2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	"5469482"	NA
"688946"	688946	"(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one"	"CSC1=N\C(=C/c2cccs2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	"5469483"	NA
"688949"	688949	"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one"	"COc1ccc(\C=C\2/N=C(SC)N(CN3CCCCC3)C2=O)cc1"	0	""	""	1	1	"5469486"	NA
"688951"	688951	"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one"	"CSC1=N\C(=C/c2ccc(Cl)cc2)\C(=O)N1CN3CCCCC3"	0	""	""	1	1	"5469488"	NA
"688978"	688978	"perylene-4,9-dione, 5,8-dihydroxy-1,3,10,12-tetramethoxy..."	"CCCC1=C(O)C(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5C(=O)C(=C(CCC)c(c1c23)c45)O"	0	""	""	2	2	"390875"	NA
"688980"	688980	"2,11-dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione"	"COc1cc(OC)c2c3c(OC)cc(OC)c4C(=O)C(=C(C[C@@H](C)O)c(c5C(=C(O)C(=O)c1c25)C[C@@H](C)O)c34)O"	0	""	""	1	1	"390877"	NA
"688991"	688991	"4-(Bromomethyl)pent-4-enoxymethylbenzene"	"BrCC(=C)CCCOCc1ccccc1"	0	""	""	1	1	"390880"	NA
"688992"	688992	"4-(Benzyloxy)-2-hydroxybutanenitrile"	"OC(CCOCc1ccccc1)C#N"	0	""	""	1	1	"390881"	NA
"688993"	688993	"1-Heptylsulfanyl-3-trityloxy-propan-2-ol"	"CCCCCCCSCC(O)COC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	"390882"	NA
"688994"	688994	"2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane"	"C1CCC(OC2COC(OC2)c3ccccc3)OC1"	0	""	""	1	1	"390883"	NA
"688995"	688995	""	"CCCCCCCCCCCCCCCCOC[C@@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)OP(=S)OC"	0	NA	NA	1	1	"522173"	NA
"688997"	688997	"2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenylpyrazol-3-yl]-5-methylphenol"	"COc1ccc(cc1)C2CC(=NN2c3ccccc3)c4c(C)nn(c5ccccc5)c4c6ccc(C)cc6O"	0	""	""	2	2	"390886"	NA
"688998"	688998	"methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate"	"COC(=O)c1oc2Sc3ccccc3NC(=O)c2c1"	0	""	""	1	1	"390887"	NA
"689001"	689001	"benzenemethanol, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-..."	"OC(c1ccc(NCc2cc(O)ccc2O)cc1)C(F)(F)F"	0	""	""	1	1	"390890"	NA
"689003"	689003	"acriflavine hydrochloride"	"[Cl-].[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc4ccc5cc6ccc(N)cc6nc5c4"	0	NA	NA	1	1	"522181"	"8063249"
"689068"	689068	"11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole"	"C(Cn1c2c(CCc3ccccc23)c4ccccc14)N5CCCCC5"	0	""	""	1	1	"390893"	NA
"689069"	689069	"4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"C(Cn1c2c(CCc3ccccc23)c4ccccc14)N5CCOCC5"	0	""	""	1	1	"390894"	NA
"689070"	689070	"5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole"	"CN(C)CCn1c2c(CCc3ccccc23)c4ccccc14"	0	""	""	1	1	"390895"	NA
"689073"	689073	"4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2CCc3c(c2c1)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	"390898"	NA
"689081"	689081	"5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole"	"COc1ccc2c(CCc3c2n(CCN(C)C)c4ccc(OC)cc34)c1"	0	""	""	1	1	"390906"	NA
"689131"	689131	"4-(4-Methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)c7ccccc7"	0	""	""	3	2	"390910"	NA
"689132"	689132	"1h,3h-benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)c7ccccc7"	0	""	""	2	2	"390911"	NA
"689133"	689133	"1h,3h-benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OCc7ccccc7)cc56)C3C2=O)c8ccccc8"	0	""	""	3	2	"390912"	NA
"689134"	689134	"4-(4-Methoxyphenyl)-18-methyl-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6c(C)cccc56)C3C2=O)c7ccccc7"	0	""	""	1	1	"390913"	NA
"689135"	689135	"16-Fluoro-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(F)cc56)C3C2=O)c7ccccc7"	0	""	""	1	1	"390914"	NA
"689136"	689136	"4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)C"	0	""	""	1	1	"390915"	NA
"689137"	689137	"16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)C(C)C"	0	""	""	2	2	"390916"	NA
"689138"	689138	"1h,3h-benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OCc7ccccc7)cc56)C3C2=O)C(C)C"	0	""	""	2	2	"390917"	NA
"689139"	689139	"4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)C"	0	""	""	1	1	"390918"	NA
"689140"	689140	"1h,3h-benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)c7ccccc7"	0	""	""	2	2	"390919"	NA
"689141"	689141	"4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6c(C)cccc56)C3C2=O)C(C)C"	0	""	""	1	1	"390920"	NA
"689176"	689176	"6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile"	"CSc1ncc2C(=C3Nc4ccccc4N3C(=O)c2n1)C#N"	0	""	""	1	1	"390930"	NA
"689187"	689187	"STK761207"	"C(OC1C2COC(O2)C(OCc3ccccc3)C1OCc4ccccc4)c5ccccc5"	0	""	""	1	1	"390934"	NA
"689193"	689193	"4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol"	"CC1(CCCCO)CCC(C=C1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	"390940"	NA
"689194"	689194	"[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate"	"OC1(CCCCC1)C2CC(COC(=O)c3ccccc3)OC2=O"	0	""	""	1	1	"390941"	NA
"689198"	689198	"[2-Benzoyloxy-1-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate"	"OC1(CCCCC1)C2CC(OC2=O)C(COC(=O)c3ccccc3)OC(=O)c4ccccc4"	0	""	""	1	1	"390945"	NA
"689201"	689201	""	"COC(=O)C([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc3ccccc3)C(C)(O)CCc4ccccc4"	0	NA	NA	1	1	"522259"	NA
"689205"	689205	"1,5-Dimethyltricyclo[3.3.0.02,8]octane-3,7-dione"	"C[C@@]12CC(=O)C3C(C(=O)C1)[C@@]23C"	0	""	""	1	1	"390952"	NA
"689213"	689213	""	"COC(=O)\C=C/COCC1C2CCC(=O)C12"	0	NA	NA	1	1	"522271"	NA
"689222"	689222	"4,6,6-trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one"	"CC1(CC(=O)C2CC1C2(C)C)\C=C\CCSc3ccccc3"	0	""	""	2	2	"5469503"	NA
"689224"	689224	""	"CCCCCC(OCOCCOC)\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C(O)CCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C"	0	NA	NA	2	1	"522282"	NA
"689227"	689227	"3-hydroxy-4-[4-[3-(4-isopropylcyclohexanony)butyl]]cyclo..."	"CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C"	0	""	""	2	1	"496447"	NA
"689228"	689228	"cyclopentanone, 3-[3-[(2-methoxyethoxy)methoxy]oct-1-eny..."	"CCCCCC(OCOCCOC)\C=C\[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C"	0	""	""	2	2	"5351437"	NA
"689278"	689278	""	"Clc1ccccc1\C=C\2/COCC3=C2NC(=S)NC3c4ccccc4Cl"	0	NA	NA	1	1	"522289"	NA
"689280"	689280	""	"Brc1ccc(\C=C\2/COCC3=C2N=C4SCC(=O)N4C3c5ccc(Br)cc5)cc1"	0	NA	NA	1	1	"522291"	NA
"689290"	689290	"Calcein AM"	"CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)Cc1cc2c(Oc3cc(OC(=O)C)c(CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)cc3C24OC(=O)c5ccccc45)cc1OC(=O)C"	0	NA	NA	1	1	"522299"	NA
"689291"	689291	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OCCC(O)CO"	0	""	""	2	2	"390987"	NA
"689292"	689292	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCCC(O)CO)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"390988"	NA
"689297"	689297	"1h-pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one"	"O=C1c2nc3ccccc3c4ccnc(c5ncsc15)c24"	0	""	""	2	2	"390989"	NA
"689403"	689403	"5,6-Dihydroxynaphthalene-2-carboxylic acid"	"OC(=O)c1ccc2c(O)c(O)ccc2c1"	0	""	""	2	2	"390997"	NA
"689404"	689404	"1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane"	"Oc1ccc2cc(ccc2c1O)C(=O)NCCCNC(=O)c3ccc4c(O)c(O)ccc4c3"	0	""	""	2	1	"390998"	NA
"689407"	689407	"3-(3-hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide"	"Oc1cccc(CCC(=O)NCCCNC(=O)CCc2cccc(O)c2)c1"	0	""	""	1	1	"391000"	NA
"689410"	689410	"4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid"	"OC(=O)c1ccc(cc1)C(C2=C(O)c3ccccc3OC2=O)C4=C(O)c5ccccc5OC4=O"	0	""	""	1	1	"54695483"	NA
"689412"	689412	"3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4ccc(OCc5ccc(cc5)C(=O)c6ccccc6)cc4)C(=O)Oc7ccccc17"	0	""	""	1	1	"54680779"	NA
"689414"	689414	"4,4'-Dihydroxy-3,3'-dinitrobenzophenone"	"Oc1ccc(cc1[N+](=O)[O-])C(=O)c2ccc(O)c(c2)[N+](=O)[O-]"	0	""	""	1	1	"391007"	NA
"689431"	689431	"n,n-diisopropylbenzamide, 4-[[(2,5-dihydroxyphenyl)-meth..."	"CC(C)N(C(C)C)C(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	"391016"	NA
"689432"	689432	"tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate"	"CC(C)(C)OC(=O)NNCC(O)COc1ccccc1"	0	""	""	1	1	"391017"	NA
"689440"	689440	"Conyzenol-19-succinate"	"C[C@@]1(COC(=O)CCC(=O)O)CCC[C@@]2(C)[C@H](CCC3=CC(=O)OC3)C(=C)CC[C@H]12"	0	""	""	1	1	"391020"	NA
"689441"	689441	"(3aS,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one"	"C[C@@]1(O)CCC2C1[C@H]3OC(=O)C(=C)[C@@H]3C[C@@H](O)C2=C"	0	""	""	1	1	"391021"	NA
"689443"	689443	"hyperbrasilol C"	"CC(C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC2=C(O)C(CC=C(C)C)(C(=O)C(C)C)C(=C(C)C2=O)O)c1O"	0	""	""	2	1	"391023"	NA
"689448"	689448	"6,6'-(pyridine-2,6-diyldiethyne-2,1-diyl)dipyridin-2-amine"	"Nc1cccc(n1)C#Cc2cccc(n2)C#Cc3cccc(N)n3"	0	""	""	1	1	"391025"	NA
"689449"	689449	"Neuro_000442"	"CC(C)(C)c1ccc2OCC3(COc4ccc(cc4CNCCNCc5cc(ccc5OC3)C(C)(C)C)C(C)(C)C)COc6ccc(cc6CNCCNCc2c1)C(C)(C)C"	0	""	""	3	1	"391026"	NA
"689466"	689466	"Desmethoxycentaureidin"	"COc1ccc(cc1O)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2"	0	""	""	2	2	"5469524"	NA
"689529"	689529	"N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide"	"COc1ccc(O)c(\C=N\NC(=S)N2CCCCC2)c1"	0	""	""	3	2	"135484939"	NA
"689530"	689530	"N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide"	"Oc1ccc(cc1\C=N\NC(=S)N2CCCCC2)[N+](=O)[O-]"	0	""	""	2	2	"135484941"	NA
"689531"	689531	"hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene..."	"S=C(NCCc1ccccn1)N\N=C(/c2ccccc2)\c3ccccn3"	0	""	""	2	2	"9571616"	NA
"689532"	689532	"1-methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C(/c2ccccc2)\c3ccccn3"	0	""	""	2	2	"9571617"	NA
"689533"	689533	"hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene..."	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N(Cc3ccccn3)Cc4ccccn4"	0	NA	NA	2	2	"522359"	NA
"689534"	689534	"hydrazinecarbothioamide, n,n-bis[(2-pyridinyl)methyl]-2-..."	"S=C(N\N=C/c1ccccn1)N(Cc2ccccn2)Cc3ccccn3"	0	NA	NA	2	2	"522360"	NA
"689535"	689535	""	"CN(CCc1ccccn1)C(=S)N\N=C(\C)/c2cnccn2"	0	NA	NA	2	2	"522361"	NA
"689536"	689536	"1-[(Z)-1-pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea"	"C\C(=N\NC(=S)NCCc1ccccn1)\c2cnccn2"	0	""	""	1	1	"5903816"	NA
"689537"	689537	"3-[(Z)-1-pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea"	"C\C(=N\NC(=S)N(Cc1ccccn1)Cc2ccccn2)\c3cnccn3"	0	""	""	2	2	"5889737"	NA
"689539"	689539	"1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea"	"O=C(N\N=C(/c1ccccc1)\c2ccccn2)NC3CCCCC3"	0	""	""	1	1	"6179448"	NA
"689540"	689540	"1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea"	"S=C(N\N=C(/c1ccccc1)\c2ccccn2)NC3CCCCC3"	0	""	""	2	2	"5871897"	NA
"689543"	689543	"Piperazine-1,4-dicarbothiohydrazide"	"NNC(=S)N1CCN(CC1)C(=S)NN"	0	""	""	1	1	"3001885"	NA
"689544"	689544	"1-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1cc(OC)ccc1O"	0	""	""	2	2	"135493993"	NA
"689545"	689545	"3-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	"COc1ccc(O)c(c1)\C(=N\NC(=S)N(C)C)\C"	0	""	""	2	2	"135493994"	NA
"689546"	689546	"1-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1ccc(OC)cc1O"	0	""	""	2	2	"135493995"	NA
"689547"	689547	"3-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	"COc1ccc(\C(=N\NC(=S)N(C)C)\C)c(O)c1"	0	""	""	1	1	"135493996"	NA
"689548"	689548	"1-[(E)-1-(2-hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1cc(OC)c(OC)cc1O"	0	""	""	1	1	"135493997"	NA
"689577"	689577	"Antineoplastic-689577"	"CCC(C)(CC(C)(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NC3CC(OC4CC(O)(Cc5c(O)c6C(=O)c7cccc(OC)c7C(=O)c6c(O)c45)C(=O)CO)OC(C)C3O)C(=O)NCC(C)O"	0	""	""	2	1	"54608780"	NA
"689581"	689581	"4-Methyl-6,13,16-trioxa-2,4-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene"	"CN1COCc2cc3cc4OCCOc4cc3nc12"	0	""	""	1	1	"391049"	NA
"689600"	689600	""	"NC1CC(=O)c2c(I)sc(I)c12"	0	NA	NA	2	2	"522385"	NA
"689601"	689601	""	"NC1CC(=O)c2csc(Br)c12"	0	NA	NA	2	2	"522386"	NA
"689602"	689602	"2h-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole- 2,7(3..."	"Clc1sc(Cl)c2C(=O)[C@H]3OC(=O)N[C@H]3c12"	0	NA	NA	2	2	"522387"	NA
"689610"	689610	""	"COC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc3ccccc23"	0	NA	NA	1	1	"522395"	NA
"689614"	689614	""	"C[C@]12C[C@H](N3CCCCSC3=N1)c4ccccc4O2"	0	NA	NA	1	1	"522399"	NA
"689620"	689620	""	"C[C@H](CCC1=NCCN1)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C"	0	NA	NA	2	2	"522405"	NA
"689622"	689622	""	"C[C@H](CCC1=NCCN1)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C"	0	NA	NA	1	1	"522407"	NA
"689626"	689626	"8-Thia-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene"	"S1c2ccccc2c3nccc4ccnc1c34"	0	""	""	1	1	"391091"	NA
"689627"	689627	"Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide"	"O=S1(=O)c2ccccc2c3nccc4ccnc1c34"	0	""	""	1	1	"391092"	NA
"689712"	689712	"N-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)CN4C(=O)N(C)C(=O)c5c4nc6N(C)C(=O)N(C)C(=O)c6[n+]5[O-])c2c1"	0	""	""	2	1	"496464"	NA
"689714"	689714	"[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane"	"Cc1cccc(CP(Cc2cccc(C)c2)CC3(Cp4c5ccccc5c6ccccc46)COC3)c1"	0	""	""	2	2	"391096"	NA
"689721"	689721	"2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole"	"FC(F)(F)c1cccnc1Sc2nc3ccccc3s2"	0	""	""	1	1	"391103"	NA
"689727"	689727	"7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]"	0	""	""	2	2	"135418452"	NA
"689728"	689728	"2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole"	"Cc1nc2c(ccc3[nH]c4ccccc4c23)s1"	0	""	""	1	1	"391110"	NA
"689729"	689729	"Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate"	"COC(=O)C1=C(C(=O)OC)C(=O)C2=C(S1)C(=O)C(=C(S2)C(=O)OC)C(=O)OC"	0	""	""	2	1	"391111"	NA
"689731"	689731	""	"[Na+].NC1=N\C(=C(\C#N)/C(C#N)C#N)\C(=C1C#N)C#N"	0	NA	NA	2	1	"522433"	NA
"689732"	689732	"Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate"	"CCOC(=O)C1S\C(=C(/C)\C(=O)OC)\NC=C1C(=O)OCC"	0	""	""	2	1	"3005309"	NA
"689733"	689733	""	"CSC1=N[C@@H](CS1)c2ccccc2"	0	NA	NA	1	1	"522435"	NA
"689735"	689735	"Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate"	"CCOP(=O)(OCC)C1=C(NC(=O)C=C1C(=O)OC)c2ccc(C)cc2"	0	""	""	2	2	"391117"	NA
"689736"	689736	""	"C[C@@H](C1CCCCC1)N2COc3c(C2)c(O)c4cc3C(C)c5cc(C(C)c6cc(C(C)c7cc(C4C)c8OCN(Cc8c7O)[C@@H](C)C9CCCCC9)c%10OCN(Cc%10c6O)[C@@H](C)C%11CCCCC%11)c%12OCN(Cc%12c5O)[C@@H](C)C%13CCCCC%13"	0	NA	NA	2	1	"522438"	NA
"689739"	689739	"5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene"	"C1COC2SC3=C(SC2O1)SC(=C4SC5=C(SCCS5)S4)S3"	0	""	""	1	1	"391121"	NA
"689740"	689740	"1-[5-[5-(4-Acetyl-5-sulfanylidene-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone"	"CC(=O)N1N=C(OC1=S)c2[nH]c(C)c(C3=NN(C(=O)C)C(=S)O3)c2C"	0	""	""	2	1	"391122"	NA
"689742"	689742	"1-Cyclohexyl-3,7-dihydropurine-2,6-dione"	"O=C1Nc2nc[nH]c2C(=O)N1C3CCCCC3"	0	""	""	1	1	"391124"	NA
"689823"	689823	"Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.46.25]dodeca-2,8-diene-11,12-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C2(OC(=CC2=O)c3ccc(Cl)cc3)C14OC(=CC4=O)c5ccc(Cl)cc5"	0	""	""	1	1	"391126"	NA
"689824"	689824	"(Z)-1-(4-Ethoxyphenyl)-2-[3-[(Z)-2-(4-ethoxyphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol"	"CCOc1ccc(cc1)C(=O)\C=C\2/C(/Nc3c(N2)cccc3)=C\C(=O)c4ccc(OCC)cc4"	0	""	""	1	1	"135432523"	NA
"689846"	689846	"BRD-K93193246-001-01-8"	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	2	2	"5834397"	NA
"689857"	689857	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 1..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	2	2	"391131"	NA
"689858"	689858	"acetophenone, 4'-[[2,5-dihydroxyphenyl)methyl]amino]-"	"CC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	"391132"	NA
"689864"	689864	"1-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	"391138"	NA
"689865"	689865	"4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4)c5ccc(cc5nc12)[N+](=O)[O-]"	0	""	""	1	1	"391139"	NA
"689866"	689866	"N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	2	2	"391140"	NA
"689867"	689867	"1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine"	"COc1cccc2c(NNc3ccccc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	"3600666"	NA
"689868"	689868	"1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine"	"COc1cccc2c(NNc3ccc(Cl)cc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	"3743024"	NA
"689869"	689869	"1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine"	"COc1ccc2nc3cc(ccc3c(Nc4ccc(cc4)S(=O)(=O)NC(=N)N)c2c1)[N+](=O)[O-]"	0	""	""	1	1	"391143"	NA
"689872"	689872	"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-"	"COc1ccc2nc3cc(ccc3c(NNc4ccccc4)c2c1)[N+](=O)[O-]"	0	""	""	2	2	"3734221"	NA
"689873"	689873	"9-acridine, 9-[(4-chlorophenyl)hydrazino]-2-methoxy- 6-n..."	"COc1ccc2nc3cc(ccc3c(NNc4ccc(Cl)cc4)c2c1)[N+](=O)[O-]"	0	""	""	3	3	"4267516"	NA
"689874"	689874	"9-acridine, 9-[(4-nitrophenyl)hydrazino]-2-methoxy- 6-ni..."	"COc1ccc2nc3cc(ccc3c(NNc4ccc(cc4)[N+](=O)[O-])c2c1)[N+](=O)[O-]"	0	""	""	3	3	"5142005"	NA
"689954"	689954	"2-(4-Methylbenzylidene)cycloheptanone"	"Cc1ccc(\C=C\2/CCCCCC2=O)cc1"	0	""	""	1	1	"5469545"	NA
"689955"	689955	"(2E)-2-(m-tolylmethylene)cycloheptanone"	"Cc1cccc(\C=C\2/CCCCCC2=O)c1"	0	""	""	1	1	"5469546"	NA
"689957"	689957	"2-(3-Chlorobenzylidene)cycloheptane-1-one"	"Clc1cccc(\C=C\2/CCCCCC2=O)c1"	0	""	""	1	1	"5469548"	NA
"689963"	689963	"[4-[(E)-3-phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"O=C(Oc1ccc(cc1)C(=O)\C=C\c2ccccc2)\C=C\c3ccccc3"	0	""	""	2	1	"5934069"	NA
"689964"	689964	"[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"Clc1ccc(\C=C\C(=O)c2ccc(OC(=O)\C=C\c3ccccc3)cc2)cc1"	0	""	""	1	1	"6290176"	NA
"689965"	689965	"[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"COc1ccc(\C=C\C(=O)c2ccc(OC(=O)\C=C\c3ccccc3)cc2)cc1"	0	""	""	2	2	"5908528"	NA
"690021"	690021	"1,4-butanediamine, n-[(2-naphthalenyl)methyl]- n'-[[3-[(..."	"C(CCNCc1ccc2ccccc2c1)CNCCCNCc3ccc4ccccc4c3"	0	NA	NA	2	2	"522496"	NA
"690023"	690023	"carbamic acid, [1,4-butanediylbis[n-[3-(phenylmethyl)~am..."	"O=C(OCc1ccccc1)N(CCCCN(CCCNCc2ccccc2)C(=O)OCc3ccccc3)CCCNCc4ccccc4"	0	""	""	2	2	"391189"	"203578501"
"690024"	690024	"1,4-butanediamine, n,n'-bis[3-[(phenylmethyl)amino]propy..."	"C(CCNCCCNCc1ccccc1)CNCCCNCc2ccccc2"	0	NA	NA	2	2	"522499"	"203578545"
"690027"	690027	"Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate"	"CCOC(=O)C1=Nc2cc(N3CCOCC3)c(F)cc2NC1=O"	0	""	""	1	1	"391194"	NA
"690033"	690033	"2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate"	"COC1Cc2c(C)c(OC(=O)C)c3cccnc3c2O1"	0	""	""	1	1	"391200"	NA
"690035"	690035	"Deoxyartemisitene"	"C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4"	0	""	""	1	1	"6712468"	NA
"690039"	690039	"11-Pyridin-4-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6ccncc6"	0	""	""	1	1	"391206"	NA
"690040"	690040	"11-Thiophen-2-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6cccs6"	0	""	""	1	1	"391207"	NA
"690041"	690041	"phenylsulfanyl[?]one"	"O=C1C=C(Sc2ccccc2)c3nccc4c5ccccc5nc1c34"	0	""	""	1	1	"391208"	NA
"690042"	690042	"6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-"	"COC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	"391209"	NA
"690043"	690043	"ethylsulfanyl[?]one"	"CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	"391210"	NA
"690073"	690073	"pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-..."	"CCCCCCC(C)c1ccc2N3C(=O)c4cnccc4N=C3C(=O)c2c1"	0	""	""	3	2	"391213"	NA
"690111"	690111	"2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCCCC2)c3ccccc3"	0	""	""	1	1	"391214"	NA
"690113"	690113	"2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide"	"Clc1ccc(C(=O)N(C(=O)N2CCCCC2)c3ccccc3)c(Cl)c1"	0	""	""	1	1	"391216"	NA
"690115"	690115	"F2843-0140"	"O=C(N(C(=O)c1cccs1)c2ccccc2)N3CCCCC3"	0	""	""	1	1	"391218"	NA
"690116"	690116	"NCIMech_000783"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCC(CC2)c3ccccc3)c4ccccc4"	0	""	""	2	2	"391219"	NA
"690117"	690117	"LS-26201"	"Clc1ccc(cc1)C(=O)N(C(=O)N2CCC(CC2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"391220"	NA
"690118"	690118	"LS-70137"	"O=C(N(C(=O)c1occc1)c2ccccc2)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	"391221"	NA
"690119"	690119	"LS-152969"	"O=C(N(C(=O)c1cccs1)c2ccccc2)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	"391222"	NA
"690120"	690120	"1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione"	"O=C(N1CCCN(C(=O)c2occc2)C1=S)c3occc3"	0	""	""	1	1	"391223"	NA
"690124"	690124	"O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate"	"O=C(N(C(=S)OCc1ccccn1)c2ccccc2)c3occc3"	0	""	""	1	1	"391227"	NA
"690130"	690130	""	"CC1(C)C2CC1C(=CC2=O)\C=N/OCC(=O)O"	0	NA	NA	2	1	"522541"	NA
"690132"	690132	"STK030609"	"CCOC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Br)cc3"	0	""	""	1	1	"391235"	NA
"690133"	690133	"ARONIS022268"	"CCOC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(OC)cc3"	0	""	""	1	1	"391236"	NA
"690136"	690136	"STK385341"	"CCOC(=O)c1c2CCCc2sc1NC(=O)c3cccs3"	0	""	""	1	1	"391239"	NA
"690142"	690142	"ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate"	"CCOC(=O)c1c2CCN(C)Cc2sc1NC(=S)Nc3ccc(C)cc3"	0	""	""	1	1	"3005311"	NA
"690148"	690148	"2-amino-9h-thiochromeno[3,2-d]thiazol-9-one"	"Nc1nc2C(=O)c3ccccc3Sc2s1"	0	""	""	1	1	"391251"	NA
"690238"	690238	"3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol"	"CC(C)C1=Nc2cc(ccc2NC1=O)C(F)(F)F"	0	""	""	1	1	"391279"	NA
"690240"	690240	""	"CC(C)(C)\C(=C/C1=Nc2cc(ccc2NC1=O)C(F)(F)F)\O"	0	NA	NA	1	1	"522595"	NA
"690241"	690241	""	"C1CNC(=NC1)N\N=C\c2ccc(cc2)c3cn4cc(\C=N\NC5=NCCCN5)ccc4n3"	0	NA	NA	2	1	"522596"	NA
"690242"	690242	""	"C1CN=C(N\N=C\C=C\c2ccc(cc2)c3cn4cc(\C=C\C=N\NC5=NCCN5)ccc4n3)N1"	0	NA	NA	2	1	"522597"	NA
"690243"	690243	""	"C1CNC(=NC1)N\N=C\C=C\c2ccc(cc2)c3cn4cc(\C=C\C=N\NC5=NCCCN5)ccc4n3"	0	NA	NA	1	1	"522598"	NA
"690244"	690244	""	"N=C(N1CCCC1)c2ccc(cc2)c3cn4cc(ccc4n3)C(=N)N5CCCC5"	0	NA	NA	1	1	"522599"	NA
"690248"	690248	""	"[O-][N+](=O)c1ccc(\C=N/NC(=O)c2ccncc2)s1"	0	NA	NA	2	2	"522603"	NA
"690266"	690266	"Antineoplastic-690266"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45)n(C)c1"	0	""	""	2	2	"5469577"	NA
"690268"	690268	"Antineoplastic-690268"	"CCCC(=O)Nc1cc(C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45)n(COC)c1"	0	""	""	2	2	"391305"	NA
"690269"	690269	"Antineoplastic-690269"	"CCCC(=O)Nc1cc(C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c5[nH]cc(C)c45)n(COC)c1"	0	""	""	2	2	"391306"	NA
"690270"	690270	"Antineoplastic-690270"	"CCCC(=O)Nc1cn(COC)c(n1)C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45"	0	""	""	2	2	"391307"	NA
"690271"	690271	"Antineoplastic-690271"	"CCCC(=O)Nc1cn(COC)c(n1)C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c5[nH]cc(C)c45"	0	""	""	2	2	"391308"	NA
"690273"	690273	"1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide"	"COc1ccc2cc(NC(=O)N\N=C/c3ccc(cc3)[N+](=O)[O-])ccc2c1"	0	""	""	1	1	"5901199"	NA
"690274"	690274	"2-(2''-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone"	"Fc1ccccc1C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	4	2	"391311"	NA
"690276"	690276	"Z666586360"	"Fc1cccc(c1)C2=Nc3ccccc3C(=O)N2"	0	""	""	2	1	"135489883"	NA
"690277"	690277	"2-(2-naphthyl)-1h-quinazolin-4-one"	"O=C1NC(=Nc2ccccc12)c3ccc4ccccc4c3"	0	""	""	1	1	"135408138"	NA
"690290"	690290	"15-Oxozoapatlin"	"C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]45C[C@@H](CC[C@]34C)C(=C)C5=O"	0	""	""	2	2	"391317"	NA
"690387"	690387	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)[N+](C)(C)Cc5ccccc5[N+](=O)[O-]"	0	NA	NA	2	2	"522671"	NA
"690388"	690388	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)[N+](C)(C)Cc5ccc(cc5)[N+](=O)[O-]"	0	NA	NA	1	1	"522672"	NA
"690391"	690391	"(s)-10,11-methelenedioxycamptothecin lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	4	3	"440794771"	NA
"690394"	690394	"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide"	"Brc1ccc(cc1)N2C(=O)c3cccnc3S2(=O)=O"	0	""	""	1	1	"391364"	NA
"690395"	690395	"2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one"	"O=C1N(Cc2ccccc2)S(=O)c3ncccc13"	0	""	""	1	1	"5466428"	NA
"690396"	690396	"Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate"	"COC(=O)C1=C(C)NC2=C(C1c3cn(nc3c4ccccc4)c5ccccc5)C(=O)c6ccccc26"	0	""	""	2	2	"391365"	NA
"690397"	690397	"Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate"	"CCOC(=O)c1c(C)nc2c3ccccc3C(=O)c2c1c4cn(nc4c5ccccc5)c6ccccc6"	0	""	""	1	1	"391366"	NA
"690404"	690404	"N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide"	"CN1\C(=N/S(=O)(=O)c2ccccc2)\N(c3ccccc13)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"9554122"	NA
"690430"	690430	"N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)C"	0	""	""	1	1	"391373"	NA
"690432"	690432	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyet..."	"CC(O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	"391375"	NA
"690433"	690433	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydr..."	"CC(O)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(C)O"	0	""	""	2	2	"391376"	NA
"690434"	690434	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-acetoxyet..."	"CC(OC(=O)C)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	"391377"	NA
"690435"	690435	"benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-acet..."	"CC(OC(=O)C)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(C)OC(=O)C"	0	""	""	2	2	"391378"	NA
"690436"	690436	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide"	"CCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCC"	0	""	""	1	1	"391379"	NA
"690440"	690440	"(1R,8R,9R)-8-[(1R,8R,9R)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene"	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2[C@H]4[C@H]5C[C@@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	""	""	1	1	"6712470"	NA
"690441"	690441	"(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene"	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4cccc(C[C@@H]5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c4)c9ccccn9"	0	""	""	3	2	"6712471"	NA
"690556"	690556	"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide"	"Clc1ccc2C(=O)c3cccc(CNc4ccc(cc4)S(=O)(=O)Nc5nccs5)c3Oc2c1"	0	""	""	1	1	"391383"	NA
"690558"	690558	"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide"	"NS(=O)(=O)c1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	2	2	"391385"	NA
"690559"	690559	"N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide"	"CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	2	2	"391386"	NA
"690562"	690562	"3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one"	"COc1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	1	1	"391389"	NA
"690563"	690563	"3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one"	"Clc1ccc2C(=O)c3cccc(CSc4ccccc4)c3Oc2c1"	0	""	""	2	1	"391390"	NA
"690565"	690565	"2,4-Dichloro-1-(propylamino)acridin-9(10H)-one"	"CCCNc1c(Cl)cc(Cl)c2Nc3ccccc3C(=O)c12"	0	""	""	1	1	"391392"	NA
"690568"	690568	"2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one"	"CN1CCN(CC1)c2c(Cl)cc(Cl)c3Nc4ccccc4C(=O)c23"	0	""	""	2	2	"391395"	NA
"690569"	690569	"2-Aza-3-deazaadenine"	"Nc1nncc2[nH]cnc12"	0	""	""	2	1	"5469585"	NA
"690575"	690575	"1H-triazolo[4,5-d]pyridazin-4-amine"	"Nc1nncc2[nH]nnc12"	0	""	""	1	1	"391402"	NA
"690577"	690577	"N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide"	"CN(C)\C=N\c1nncc2[nH]nnc12"	0	""	""	1	1	"391404"	NA
"690578"	690578	"4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine"	"NNc1nncc2[nH]nnc12"	0	""	""	1	1	"391405"	NA
"690582"	690582	"5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine"	"CSc1nn(C)cc2ncnc12"	0	""	""	1	1	"391409"	NA
"690584"	690584	"5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine"	"[O-][N+](=O)c1ccc(CSc2nn(Cc3ccc(cc3)[N+](=O)[O-])cc4ncnc24)cc1"	0	""	""	1	1	"391411"	NA
"690586"	690586	"5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione"	"CN1N=Cc2[nH]cnc2C1=S"	0	""	""	1	1	"135441811"	NA
"690587"	690587	"2,5-dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione"	"CN1N=Cc2[nH]c(C)nc2C1=S"	0	""	""	1	1	"135460189"	NA
"690589"	690589	"2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol"	"Cc1nc2C(=O)NN=Cc2[nH]1"	0	""	""	1	1	"135430103"	NA
"690617"	690617	"3-bromo-4-n,n-bis-2'-cyanoethylaminobenzylidene rhodanine"	"Brc1cc(\C=C\2/SC(=S)NC2=O)ccc1N(CCC#N)CCC#N"	0	""	""	1	1	"5469596"	NA
"690619"	690619	"4-n,n-bis-2'-carboxyethylaminobenzylidene rhodanine"	"OC(=O)CCN(CCC(=O)O)c1ccc(\C=C\2/SC(=S)NC2=O)cc1"	0	""	""	1	1	"5469598"	NA
"690622"	690622	"3-(4-nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1ccc(\C=N\N2C(=O)NN=C2c3ccc(cc3)[N+](=O)[O-])cc1"	0	""	""	1	1	"9556307"	NA
"690633"	690633	"N,N'-bis(1-nitroacridin-9-yl)butane-1,4-diamine"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	2	2	"391438"	NA
"690634"	690634	"NCIMech_000699"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	2	2	"391439"	NA
"690635"	690635	"Neuro_000454"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	3	3	"391440"	NA
"690646"	690646	"STL426492"	"S=C(N1CCOCC1)c2c[nH]c3ccccc23"	0	""	""	1	1	"391442"	NA
"690648"	690648	"1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanethione"	"S=C(N1CCN(CC1)c2ccccc2)c3c[nH]c4ccccc34"	0	""	""	1	1	"391444"	NA
"690650"	690650	"N-Butyl-alpha-phenylmorpholine-4-methanimine"	"CCCC\N=C(/N1CCOCC1)\c2ccccc2"	0	""	""	1	1	"391446"	NA
"690652"	690652	"2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide"	"O=C(CN1C(=O)Oc2ccccc12)N(c3ccccc3)c4ccccc4"	0	""	""	1	1	"391448"	NA
"690654"	690654	"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-"	"O=C(CN1CCOCC1)c2ccc3N(CCN4CCCCC4)C(=O)Oc3c2"	0	""	""	1	1	"391450"	NA
"690658"	690658	"JPB 8"	"O=C(Cc1ccccc1)c2ccc3NC(=O)Oc3c2"	0	""	""	1	1	"391454"	NA
"690660"	690660	"6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one"	"CN(C)CCN1C(=O)Oc2cc(ccc12)C(=O)C"	0	""	""	1	1	"391456"	NA
"690662"	690662	"6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one"	"O=C1Nc2ccc(CC(=S)N3CCN(CC3)c4ccccc4)cc2O1"	0	""	""	2	1	"391458"	NA
"690664"	690664	"6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one"	"CC(=O)c1ccc2N(CCN3CCCCC3)C(=O)Oc2c1"	0	""	""	1	1	"391459"	NA
"690666"	690666	"6-(Piperidin-1-ylacetyl)-1,3-benzoxazol-2(3h)-one"	"O=C(CN1CCCCC1)c2ccc3NC(=O)Oc3c2"	0	""	""	1	1	"391461"	NA
"690668"	690668	"6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one"	"O=C(CN1CCN(Cc2ccccc2)CC1)c3ccc4NC(=O)Oc4c3"	0	""	""	2	1	"391463"	NA
"690670"	690670	"3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one"	"CN1C(=O)Sc2cc(ccc12)C(=S)N3CCOCC3"	0	""	""	2	1	"391465"	NA
"690672"	690672	"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one"	"CN1C(=O)Sc2cc(ccc12)C(=S)N3CCCCC3"	0	""	""	1	1	"391467"	NA
"690676"	690676	"6-(2-Piperidin-1-yl-2-thioxoethyl)-1,3-benzothiazol-2(3h)-one"	"O=C1Nc2ccc(CC(=S)N3CCCCC3)cc2S1"	0	""	""	1	1	"391471"	NA
"690678"	690678	"6-[2-(4-Phenylpiperazin-1-yl)-2-thioxoethyl]-1,3-benzothiazol-2(3h)-one"	"O=C1Nc2ccc(CC(=S)N3CCN(CC3)c4ccccc4)cc2S1"	0	""	""	1	1	"391473"	NA
"690683"	690683	"5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)C2SCCCS2"	0	""	""	1	1	"391478"	NA
"690684"	690684	"5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile"	"CCCCCCCCCCCCCCCCCc1oc(N)c(n1)C#N"	0	""	""	1	1	"391479"	NA
"690685"	690685	"5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)C(=O)c2ccccc2"	0	""	""	1	1	"391480"	NA
"690690"	690690	"Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate"	"CCOC(=O)\C=C\c1oc(N)c(n1)C#N"	0	""	""	1	1	"5469600"	NA
"690734"	690734	""	"COc1cc(\C=C\2/CCC(C)\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)cc(OC)c1OC"	0	NA	NA	1	1	"522803"	NA
"690736"	690736	""	"COc1cc(\C=C\2/CCC(C)C3=C2N=C4S\C(=C/c5ccc(Cl)cc5)\C(=O)N4C3c6cc(OC)c(OC)c(OC)c6)cc(OC)c1OC"	0	NA	NA	1	1	"522805"	NA
"690737"	690737	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\C(=O)/C/1=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	"522806"	NA
"690743"	690743	""	"CC1CC\C(=C/c2ccc(F)cc2)\C3=C1C(N4C(=O)CSC4=N3)c5ccc(F)cc5"	0	NA	NA	1	1	"522812"	NA
"690747"	690747	""	"COc1ccc(\C=C\2/CCC(C)C3=C2NC(=S)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	2	1	"522816"	NA
"690749"	690749	""	"CC1CC\C(=C/c2ccc(cc2)N(C)C)\C(=O)/C/1=C/c3ccc(cc3)N(C)C"	0	NA	NA	1	1	"522818"	NA
"690751"	690751	"1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	"COc1cc(\C=C\2/CCC(C)C3C(N(N=C23)C(=O)C)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	2	2	"5778618"	NA
"690753"	690753	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\c3nc(N)c(C#N)c(c4ccc(Cl)cc4)c13"	0	NA	NA	1	1	"522822"	NA
"690754"	690754	"(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile"	"COc1ccc(\C=C\2/CCC(C)c3c2nc(N)c(C#N)c3c4ccc(OC)c(OC)c4)cc1OC"	0	""	""	1	1	"5934964"	NA
"690755"	690755	""	"COc1cc(\C=C\2/CCC(C)c3c2nc(N)c(C#N)c3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	"522824"	NA
"690756"	690756	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\C3OC(=C(C#N)C(=C13)c4ccc(Cl)cc4)N"	0	NA	NA	1	1	"522825"	NA
"690757"	690757	""	"COc1cc(\C=C\2/CCC(C)C3=C(C(=C(N)OC23)C#N)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	4	1	"522826"	NA
"690758"	690758	"3-amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile"	"COc1cc(cc(OC)c1OC)C2OC(=C(C#N)C3=C2C(C)CCC3)N"	0	""	""	1	1	"391510"	NA
"690760"	690760	"3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile"	"COc1ccc(cc1OC)C2NC(=C(C#N)C3=C2C(C)CCC3)N"	0	""	""	1	1	"391512"	NA
"690764"	690764	"3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile"	"CC1CCCc2c(nc(N)c(C#N)c12)c3ccc(Cl)cc3"	0	""	""	1	1	"391516"	NA
"690765"	690765	""	"O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O"	0	NA	NA	1	1	"522834"	NA
"690767"	690767	""	"COC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)c2ccc(C)cc2)[Se]c3ccccc3"	0	NA	NA	1	1	"522836"	NA
"690769"	690769	""	"COC(=O)[C@@H]1C2OC(C)(C)OC2CN1C(=O)OCc3ccccc3"	0	NA	NA	1	1	"522838"	NA
"690771"	690771	"Methyl 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate"	"COC(=O)C1C2OC(C)(C)OC2CN1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"391523"	NA
"690777"	690777	"(3E,10R,13S,17S)-3-[2-(diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol"	"CCN(CC)CCO\N=C\1/CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(C)O)C3CCC2=C1"	0	""	""	1	1	"9572021"	NA
"690778"	690778	"(3E,10R,13S,17S)-10,13,17-trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol"	"C[C@]1(O)CCC2C3CCC4=C\C(=N\OCCN5CCCC5)\CC[C@]4(C)C3CC[C@]12C"	0	""	""	1	1	"9572022"	NA
"690782"	690782	"4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2CCc3c(c2c1)n(CCN4CCOCC4)c5ccc(OC)cc35"	0	""	""	1	1	"391533"	NA
"690784"	690784	"4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2c(CCc3c2n(CCN4CCOCC4)c5ccc(OC)cc35)c1"	0	""	""	1	1	"391535"	NA
"690945"	690945	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NCC(=O)O)cc1"	0	NA	NA	1	1	"522859"	NA
"690947"	690947	"N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide"	"CC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	1	1	"6477565"	NA
"690964"	690964	"(2-sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea"	"NC(=S)NC1=NC(=S)Nc2[nH]ccc12"	0	""	""	1	1	"135447063"	NA
"690965"	690965	"5-Benzyl-6-methyl-pyrrolo[2,3-d]pyrimidine-3,4-diamine"	"Cc1[nH]c2N=CN(N)C(=N)c2c1Cc3ccccc3"	0	""	""	1	1	"135468833"	NA
"690970"	690970	"(1R,2S,6E,10S,11R,13S,17R)-11-hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one"	"C[C@H]1CCC\C(=C\CC[C@]2(C)O[C@@H]3[C@@H](C[C@H]2O)C(=C)C(=O)O[C@H]13)\C"	0	""	""	1	1	"5469628"	NA
"690971"	690971	"(1S,2R,5E,10R,11S,12R,16S)-2-hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]3C(CSc4ccccc4)C(=O)O[C@H]3[C@H]1O2)\C"	0	""	""	1	1	"5469629"	NA
"690972"	690972	"(1S,2R,3R,4S,8E,12R,13S)-2,3,12-trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one"	"C[C@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]([C@@H](O)[C@@H]1O)C(=C)C(=O)O2)\C"	0	""	""	1	1	"5469630"	NA
"690974"	690974	"methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate"	"COC(=O)C1(CC1)[C@@H]2C[C@@H](O)[C@]3(C)CC\C=C(/C)\CCC[C@H](C)[C@H](O)[C@@H]2O3"	0	""	""	1	1	"5469632"	NA
"690975"	690975	""	"C[C@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]([C@@H](O2)[C@H]1O)C(=C)C(=O)O)\C"	0	NA	NA	2	1	"522888"	NA
"690978"	690978	"2,3-dihydro-1,2-syn-2-[2',3'-dihydroxypropylmercapto] br..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)SCC(O)CO"	0	""	""	1	1	"24202568"	NA
"690980"	690980	"2,3-dihydro-1,2-syn-2-[4'-methoxyphenylsulfenyl] brefeld..."	"COc1ccc(cc1)S(=O)[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O"	0	""	""	2	2	"10550891"	NA
"690983"	690983	"Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1lambda5-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate"	"COC(=O)C1=C(OC)C(=P2(CC(=C2c3ccccc3)c4ccccc4)c5ccccc5)C(=C1C(=O)OC)C(=O)OC"	0	""	""	2	2	"391572"	NA
"691020"	691020	""	"C[C@@H]1[C@@H](C)[Si](O[C@H]1N2CCCC2)(C(C)(C)C)C(C)(C)C"	0	NA	NA	1	1	"522893"	NA
"691023"	691023	""	"C[C@@H]1[C@@H](C)[Si](OC1c2ccccc2)(C(C)(C)C)C(C)(C)C"	0	NA	NA	2	1	"522896"	NA
"691032"	691032	"(2,2-dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate"	"CC(=O)Oc1cc2CC(C)(C)Oc2c3ncccc13"	0	""	""	1	1	"391577"	NA
"691033"	691033	"(-)-Avarol"	"C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)Cc3cc(O)ccc3O"	0	""	""	4	2	"391578"	NA
"691037"	691037	"4-nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"391582"	NA
"691038"	691038	"4-amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(N)cc4"	0	""	""	1	1	"391583"	NA
"691039"	691039	"(7s)-7-Hydroxy-1,2,3-trimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5h)-one"	"COc1cc2CC[C@H](O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	4	2	"391584"	NA
"691040"	691040	"[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] pyridine-4-carboxylate"	"COc1cc2CC[C@H](OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	"391585"	NA
"691041"	691041	"[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate"	"COc1cc2CC[C@H](OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	2	2	"391586"	NA
"691075"	691075	"2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one"	"NCCSC1=Nc2ccccc2C(=O)N1c3ccccc3"	0	""	""	1	1	"391591"	NA
"691081"	691081	"STK849915"	"Cc1cc(C)n(n1)C2=Nc3ccccc3C(=O)N2"	0	""	""	2	2	"135472230"	NA
"691084"	691084	"Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate"	"CCOC(=O)\C(=N/Nc1ccc(cc1)N2C(=Nc3ccccc3C2=O)C)\C(=O)C"	0	""	""	1	1	"135494007"	NA
"691085"	691085	"Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate"	"CCOC(=O)\C(=N/Nc1ccc(cc1)N2C(=Nc3ccc(Br)cc3C2=O)C)\C(=O)C"	0	""	""	1	1	"135494008"	NA
"691094"	691094	"[3,4,5-Triacetyloxy-6-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(NC(=S)CCSC2=Nc3ccccc3C(=O)N2c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	"3005330"	NA
"691097"	691097	""	"CC(=O)OCC(OC(=O)C)C(OC(=O)C)\C(=N\NC1=Nc2ccccc2C(=O)N1)\C=N\NC3=Nc4ccccc4C(=O)N3"	0	NA	NA	1	1	"522933"	NA
"691106"	691106	"3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2C=CC(c3ccccc3)C(C#N)(C#N)C2(C#N)C#N"	0	""	""	2	2	"391620"	NA
"691113"	691113	"1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione"	"COc1ccc(cc1)N2N(C(=O)N(C2=O)c3ccccc3)c4ccc(OC)cc4"	0	""	""	1	1	"391627"	NA
"691127"	691127	"NCIChal_000037"	"O=C1N(C2CCCCC2)C(=O)N1C3CCCCC3"	0	""	""	2	2	"391641"	NA
"691193"	691193	"5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile"	"Nc1oc(CSCc2ccccc2)nc1C#N"	0	""	""	1	1	"391649"	NA
"691195"	691195	"5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(CC#N)nc1C#N"	0	""	""	2	1	"391651"	NA
"691196"	691196	""	"CN(C)CCO\N=C\1/CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=C1"	0	NA	NA	2	2	"522975"	NA
"691197"	691197	""	"CN(C)CCO\N=C\1/CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCC2=C1)OC(=O)C"	0	NA	NA	2	1	"522976"	NA
"691198"	691198	""	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\OCCN5CCCCC5)\CC[C@]34C)[C@@H]1CC[C@@H]2O"	0	NA	NA	1	1	"522977"	NA
"691199"	691199	"3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1cc(OC)cc(c1)N2C(=C(c3ccc(cc3C2=O)[N+](=O)[O-])c4nc5ccccc5s4)N"	0	""	""	1	1	"391657"	NA
"691201"	691201	""	"C[C@@H](N1C(=C(c2ccc(cc2C1=O)[N+](=O)[O-])c3nc4ccccc4s3)N)c5ccccc5"	0	NA	NA	2	2	"522980"	NA
"691202"	691202	"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one"	"COc1cccc(CCN2C(=C(c3ccccc3)c4ccc(cc4C2=O)[N+](=O)[O-])N)c1"	0	""	""	2	2	"391660"	NA
"691203"	691203	"2h-isoquinoxalin-1-one, 3-amino-4-(3,5-dichlorophenyl)- ..."	"COc1cccc(CCN2C(=C(c3cc(Cl)cc(Cl)c3)c4ccc(cc4C2=O)[N+](=O)[O-])N)c1"	0	""	""	2	2	"391661"	NA
"691205"	691205	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one"	"COc1cc(OC)cc(c1)N2C(=C(c3ccc(cc3C2=O)[N+](=O)[O-])c4nc5ccccc5n4C)N"	0	""	""	1	1	"391663"	NA
"691206"	691206	"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile"	"COc1cccc(CCN2C(=C(C#N)c3ccc(cc3C2=O)[N+](=O)[O-])N)c1"	0	""	""	3	2	"391664"	NA
"691208"	691208	""	"C[C@H](N1C(=C(C#N)c2ccc(cc2C1=O)[N+](=O)[O-])N)c3ccccc3"	0	NA	NA	1	1	"522987"	NA
"691209"	691209	"3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid"	"NC1=C(C#N)c2ccc(cc2C(=O)N1c3cccc(c3)C(=O)O)[N+](=O)[O-]"	0	""	""	1	1	"391667"	NA
"691210"	691210	"Z56789810"	"[O-][N+](=O)c1ccc2C(=C3Sc4ccccc4N3C(=O)c2c1)C#N"	0	""	""	1	1	"391668"	NA
"691211"	691211	"9-nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2C(=C3Nc4ccc(cc4N3C(=O)c2c1)C(F)(F)F)C#N"	0	""	""	2	2	"391669"	NA
"691213"	691213	"Maybridge1_006997"	"O=C1C(=C2Nc3ccccc3N2c4ccccc14)C#N"	0	""	""	1	1	"391671"	NA
"691215"	691215	"Z734296158"	"CN1C2=C(C#N)C(=O)c3ccccc3N2c4ccccc14"	0	""	""	2	2	"391673"	NA
"691216"	691216	"3-nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2N3C(=C(C#N)C(=O)c2c1)Nc4ccccc34"	0	""	""	2	1	"391674"	NA
"691218"	691218	"5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile"	"Clc1c(C#N)c2nc3ccccc3n2c4ccccc14"	0	""	""	1	1	"391676"	NA
"691219"	691219	"Neuro_000456"	"COc1cccc(CCNc2c(C#N)c3nc4ccccc4n3c5ccccc25)c1"	0	""	""	2	2	"391677"	NA
"691220"	691220	"5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"Fc1ccc(CCNc2c(C#N)c3nc4ccccc4n3c5ccccc25)cc1"	0	""	""	1	1	"391678"	NA
"691221"	691221	"benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5-c..."	"Clc1c(C#N)c2nc3ccccc3n2c4ncccc14"	0	""	""	2	2	"391679"	NA
"691222"	691222	"5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid"	"NC(=N)NCCCC(NC(=O)OCCCCN1C=CC(=NC1=O)N)C(=O)O"	0	""	""	1	1	"391680"	NA
"691224"	691224	""	"NC(=N)NCCCC(NC(=O)OCCCCCCN1C=CC(=NC1=O)N)C(=O)O"	0	NA	NA	1	1	"523003"	NA
"691227"	691227	"5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid"	"CC1=CN(CCCCCOC(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)NC1=O"	0	""	""	1	1	"391685"	NA
"691240"	691240	""	"COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12"	0	NA	NA	2	2	"523017"	NA
"691241"	691241	""	"CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3ccccc3nc12"	0	NA	NA	2	1	"523018"	NA
"691242"	691242	"[1-(chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(N(C)C)c5ccccc45"	0	""	""	2	1	"391697"	NA
"691243"	691243	"NUCVRSVMWQIEPX-MDZDMXLPSA-N"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3c2cc(c4ccccc34)[N+](=O)[O-])n(C)c1"	0	""	""	3	2	"5469644"	NA
"691244"	691244	"[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	2	"391699"	NA
"691246"	691246	""	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12"	0	NA	NA	2	2	"523023"	NA
"691247"	691247	""	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(s4)[N+](=O)[O-])c3nc12"	0	NA	NA	2	2	"523024"	NA
"691248"	691248	"(e)-1-(4-butyramido-1-methyl-2-pyrroleacryloyl)-3-chloro..."	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3ccc(cc23)[N+](=O)[O-])n(C)c1"	0	""	""	1	1	"5896344"	NA
"691249"	691249	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sccc4[N+](=O)[O-])c3nc12"	0	""	""	1	1	"391705"	NA
"691250"	691250	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])n4C)c3nc12"	0	""	""	4	2	"391707"	NA
"691251"	691251	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sc(nc4[N+](=O)[O-])N5CCOCC5)c3nc12"	0	""	""	1	1	"391709"	NA
"691252"	691252	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4c(ncn4C)[N+](=O)[O-])c3nc12"	0	""	""	2	2	"391711"	NA
"691253"	691253	"7-Oxaspiro[5.9]pentadecane-1,8,13-trione"	"O=C1CCCCC(=O)OC2(CCCCC2=O)CC1"	0	""	""	1	1	"391713"	NA
"691258"	691258	"2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole"	"Cn1ccnc1SC(F)(F)c2oc3ccccc3n2"	0	""	""	1	1	"391718"	NA
"691274"	691274	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	1	1	"523042"	NA
"691275"	691275	""	"CCN(CC)CCC(=O)c1ccc(Sc2ccc(F)cc2)cc1"	0	NA	NA	1	1	"523043"	NA
"691276"	691276	""	"CC[N+]1(C)CCC(O)(\C=C\c2ccc(Cl)cc2)C(C1)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	2	2	"523044"	NA
"691277"	691277	""	"CC[N+]1(C)CCC(O)(\C=C\c2ccc(OC)cc2)C(C1)C(=O)\C=C\c3ccc(OC)cc3"	0	NA	NA	2	2	"523045"	NA
"691404"	691404	"N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide"	"CNC(=O)CCNC(=O)CCC(=O)N(C)C"	0	""	""	1	1	"391817"	NA
"691413"	691413	""	"CSC(=N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2)SC"	0	NA	NA	3	2	"523137"	NA
"691414"	691414	"methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate"	"CSC(=S)N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2"	0	""	""	1	1	"9572027"	NA
"691415"	691415	""	"CCCNC(=S)N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2"	0	NA	NA	2	2	"523139"	NA
"691417"	691417	"Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate"	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)c(OC)c2)c3c(O1)n(nc3c4ccccc4)c5ccccc5"	0	""	""	1	1	"9571629"	NA
"691419"	691419	"1h-pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,..."	"COc1ccc(cc1OC)C2C3=C(Oc4c2c(nn4c5ccccc5)c6ccccc6)N=CN(N)C3=N"	0	""	""	2	1	"391832"	NA
"691421"	691421	""	"COc1ccc(cc1OC)C2c3c(Oc4c2c(nn4c5ccccc5)c6ccccc6)ncn7nc(CC#N)nc37"	0	NA	NA	1	1	"523145"	NA
"691422"	691422	"acetonitrile, [11-(3,4-dimethoxyphenyl)-8,10-diphenyl- 8..."	"COc1ccc(cc1OC)C2c3c(Oc4c2c(nn4c5ccccc5)c6ccccc6)ncn7nc(CC#N)nc37"	0	NA	NA	2	2	"523146"	NA
"691424"	691424	"Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate"	"CCOC(=O)c1nc2c3C(c4ccc(OC)c(OC)c4)c5c(Oc3ncn2n1)n(nc5c6ccccc6)c7ccccc7"	0	""	""	1	1	"391836"	NA
"691433"	691433	"2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)SC[C@H](N)C(=O)O"	0	""	""	2	2	"24202569"	NA
"691519"	691519	"Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(cc1)N2CCN(CC2)c3c(C)nc(N)nc3N)C(=O)OCC"	0	""	""	2	2	"391856"	NA
"691520"	691520	"5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine"	"Cc1nc(N)nc(N)c1N2CCN(Cc3ccccc3)CC2"	0	""	""	2	2	"391857"	NA
"691523"	691523	"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)NNC(=S)Nc3ccc(F)cc3"	0	""	""	1	1	"3000818"	NA
"691524"	691524	"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)NNC(=S)Nc3ccc(C)cc3"	0	""	""	1	1	"3005876"	NA
"691527"	691527	"2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)N\N=C\3/SCC(=O)N3CC=C"	0	""	""	1	1	"9572029"	NA
"691529"	691529	"N-[(Z)-(3-Ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide"	"CCN1C(=O)C(C)S/C/1=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2CC"	0	""	""	1	1	"9572031"	NA
"691531"	691531	""	"C(OCc1ccccc1)[C@H]2C3OCC([C@H](OCc4ccccc4)[C@H]3OCc5ccccc5)N2Cc6ccccc6"	0	NA	NA	2	1	"523181"	NA
"691533"	691533	"6-MEO-BTA-0"	"COc1ccc2nc(sc2c1)c3ccc(N)cc3"	0	""	""	1	1	"391870"	NA
"691534"	691534	"HHKCYVZNMDYRMQ-UHFFFAOYSA-N"	"Cc1ccc2nc(sc2c1)c3ccc(N)c(I)c3"	0	""	""	1	1	"391871"	NA
"691535"	691535	"BB 0245173"	"Nc1c(Br)cc(cc1Br)c2nc3ccccc3s2"	0	""	""	1	1	"391872"	NA
"691536"	691536	"ARK100995"	"Nc1c(Cl)cc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	"391873"	NA
"691562"	691562	"[1]benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-..."	"COc1ccc(cc1OC)c2nc(N)c(C#N)c3c2CCSc4ccc(C)cc34"	0	""	""	2	2	"391881"	NA
"691564"	691564	"(6Z)-6-[(3,4,5-trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one"	"COc1cc(\C=C/2\CCCc3ccccc3C2=O)cc(OC)c1OC"	0	""	""	2	2	"5469698"	NA
"691567"	691567	"(4Z)-4-benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one"	"Cc1ccc2c(c1)C(=O)\C(=C/c3ccccc3)\CCS2(=O)=O"	0	""	""	2	1	"5469701"	NA
"691568"	691568	""	"Cc1ccc2c(c1)C(=O)\C(=C/c3ccc(Cl)cc3)\CCS2(=O)=O"	0	NA	NA	2	2	"523200"	NA
"691576"	691576	"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"Cc1ccc2c(c1)c3c(CCS2(=O)=O)c(nc(N)c3C#N)c4ccccc4"	0	""	""	2	2	"391895"	NA
"691577"	691577	"2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1cccc(c1)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	2	2	"391896"	NA
"691578"	691578	"2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide"	"Cc1ccc2c(c1)c3c(CCS2(=O)=O)c(nc(N)c3C#N)c4ccc(Cl)cc4"	0	""	""	2	2	"391897"	NA
"691579"	691579	"2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1ccc(cc1OC)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	1	1	"391898"	NA
"691580"	691580	"2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1cc(cc(OC)c1OC)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	1	1	"391899"	NA
"691583"	691583	"5-Methyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione"	"CN1C(=O)N2Cc3cccc4cccc(CN2C1=O)c34"	0	""	""	1	1	"391902"	NA
"691587"	691587	"1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione"	"COc1ccc(cc1)N2N(C(=O)N(C)C2=O)c3c(C)c(C)c(C)c(C)c3C"	0	""	""	2	1	"391906"	NA
"691589"	691589	"3-tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione"	"CC(C)(C)N1C(=O)n2c(c3ccccc3)c(c4ccccc4)n2C1=O"	0	""	""	1	1	"391908"	NA
"691599"	691599	"1-tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione"	"COc1ccccc1N2N(C(=O)N(C)C2=O)C(C)(C)C"	0	""	""	1	1	"391919"	NA
"691603"	691603	"4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione"	"CN1C(=O)N(N2N(C(=O)N(C)C2=O)c3c(C)c(C)c(C)c(C)c3C)N(C1=O)c4c(C)c(C)c(C)c(C)c4C"	0	""	""	1	1	"391923"	NA
"691604"	691604	"5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione"	"CC(C)(C)N1C(=O)N2Cc3cccc4cccc(CN2C1=O)c34"	0	""	""	1	1	"391924"	NA
"691608"	691608	"Diaziridinone, bis(.alpha.,.alpha.-dimethylphenethyl)-"	"CC(C)(Cc1ccccc1)N2N(C2=O)C(C)(C)Cc3ccccc3"	0	""	""	1	1	"391928"	NA
"691652"	691652	"Ayanin"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	1	1	"5280682"	NA
"691655"	691655	"butanamide, n-[5-[3-[7-amino-3-(chloromethyl)-2,3-dihydr..."	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3ccc(N)cc23)n(C)c1"	0	""	""	2	2	"5933245"	NA
"691656"	691656	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(cc4)S(=O)(=O)C)c3nc12"	0	""	""	2	2	"391966"	NA
"691664"	691664	"1-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)N\N=C/c2cccc3ccccc23)cc1"	0	""	""	2	1	"6078767"	NA
"691665"	691665	"1-[(Z)-naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)N\N=C/c2ccc3ccccc3c2)cc1"	0	""	""	2	1	"6279232"	NA
"691698"	691698	"4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide"	"CNC(=O)c1ccc(C(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)C)c(O)c1O"	0	""	""	1	1	"391976"	NA
"691700"	691700	"(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone"	"O=C(N1CCSC1=S)c2cccc(OCc3ccccc3)c2OCc4ccccc4"	0	""	""	2	1	"391978"	NA
"691767"	691767	"heteromine A"	"COc1nc(nc2c1n(C)c[n+]2C)N(C)C"	0	""	""	1	1	"391982"	NA
"691778"	691778	"N,8-dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide"	"CN(C(=O)c1cc2c3c4ccccc4N(C)C(=O)c3sc2s1)c5ccccc5"	0	""	""	1	1	"391989"	NA
"691780"	691780	"Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate"	"COC(=O)C1=CC(=O)OC1(OO)c2ccccc2"	0	""	""	1	1	"391991"	NA
"691782"	691782	"Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C(Cc2ccccc2)(OO)OC1=O"	0	""	""	1	1	"391993"	NA
"691802"	691802	""	"NCc1ccc(s1)c2ccc(CN)s2"	0	NA	NA	1	1	"523314"	NA
"691807"	691807	"(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol"	"CC1=C(C(O)C2C(=CCS2(=O)=O)C)C(C)(C)CCC1"	0	""	""	1	1	"392008"	NA
"691814"	691814	"2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	"CC1=CN(C2CC(O)C(Cn3cc(CN4N=CC(=O)NC4=O)nn3)O2)C(=O)NC1=O"	0	""	""	1	1	"392015"	NA
"691816"	691816	"6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	"CC1=CN(C2CC(O)C(Cn3cc(CN4N=C(Br)C(=O)NC4=O)nn3)O2)C(=O)NC1=O"	0	""	""	1	1	"392017"	NA
"691817"	691817	"1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(Cl)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"392018"	NA
"691818"	691818	"1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(I)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"392019"	NA
"691819"	691819	"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(F)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"392020"	NA
"691820"	691820	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(Br)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	"392021"	NA
"691821"	691821	"1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=CC(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	"392022"	NA
"691822"	691822	"1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=C(I)C(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	"392023"	NA
"691824"	691824	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=C(Br)C(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	"392025"	NA
"691826"	691826	"4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate"	"CC(=O)OCCCCn1nncc1CN2C=CC(=O)N(Cc3cnnn3CCCCOC(=O)C)C2=O"	0	""	""	1	1	"392027"	NA
"691828"	691828	"SC-60645"	"CC1=NNC(=O)C1C2CC(=NNC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"392029"	NA
"691830"	691830	"6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one"	"CC1=NNC(=O)C1C2CC(=NN(C2=O)c3ccccc3)c4c[nH]c5ccccc45"	0	""	""	1	1	"392031"	NA
"691831"	691831	"3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide"	"CC1=NNC(=O)C1C2CC(=NN(C(=O)N)C2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"392032"	NA
"691833"	691833	"4-bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one"	"CC1=NNC(=O)C1C2C(Br)C(=NNC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"392034"	NA
"691835"	691835	"4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,5-dihydropyrimidine-6-carboxylic acid"	"CC1=NNC(=O)C1C2(CC(=NC(=S)N2)c3c[nH]c4ccccc34)C(=O)O"	0	""	""	1	1	"3005333"	NA
"691840"	691840	"4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone"	"O=C1NN=C(CC1NCc2ccccc2)c3c[nH]c4ccccc34"	0	""	""	1	1	"392041"	NA
"691842"	691842	""	"COc1ccc2Nc3c4C(=NC(=O)N(CCCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	"523352"	NA
"691843"	691843	""	"COc1ccc2nc3c(ccc4N(CCN(C)C)C=Nc(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	2	"523353"	NA
"691844"	691844	""	"COc1ccc2nc3c(ccc4N(CCCN(C)C)C=Nc(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	2	"523354"	NA
"691845"	691845	""	"COc1ccc2nc3c(ccc4N(CCCN(C)C)C(=S)N(CCCN(C)C)c(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	1	"523355"	NA
"691846"	691846	""	"CN(C)CCN1C(=O)N(CCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	1	1	"523356"	NA
"691847"	691847	""	"CN(C)CCCN1C(=O)N(CCCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	1	1	"523357"	NA
"691848"	691848	""	"CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3ccccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	2	2	"523358"	NA
"691849"	691849	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride"	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCNCCO)ccc(C1=O)c24"	0	""	""	2	2	"392057"	NA
"691850"	691850	""	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCN5CCNCC5)ccc(C1=O)c24"	0	NA	NA	2	2	"523360"	NA
"691851"	691851	""	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCN(C)C)c(C(=O)c2c1)c34"	0	NA	NA	2	2	"523361"	NA
"691852"	691852	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCNCCO)c(C(=O)c2c1)c34"	0	""	""	2	2	"392063"	NA
"691877"	691877	"5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione, 1..."	"Cn1c2ccccc2c3c4C(=O)NC(=O)c4c5c6ccccc6n(C)c5c13"	0	""	""	2	2	"392065"	NA
"691881"	691881	"3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione"	"Cn1c2ccccc2c3c4C(=O)NNC(=O)c4c5c6ccccc6n(C)c5c13"	0	""	""	2	2	"392069"	NA
"691884"	691884	"1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione"	"Cn1c(cc2ccccc12)c3c(C4=CC(=O)N(C4=O)c5ccccc5)c6ccccc6n3C"	0	""	""	1	1	"392072"	NA
"691894"	691894	""	"C[S+](C)CC(=O)c1ccc2Oc3ccccc3Sc2c1"	0	NA	NA	2	1	"523375"	NA
"691895"	691895	"9,11-Diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Ic1sc(I)c2C(=O)C3OC(=O)NC3c12"	0	""	""	2	2	"392081"	NA
"691899"	691899	""	"CSC(=[N+]1CCOCC1)Cc2ccc3Oc4ccccc4Sc3c2"	0	NA	NA	1	1	"523380"	NA
"691900"	691900	""	"NC(=N)SCc1ccc2Oc3ccccc3Sc2c1"	0	NA	NA	2	1	"523381"	NA
"691911"	691911	""	"CC(=[N+]1N=C([O-][Ni+2]12[O-]C(=N[N+]2=C(C)C(F)(F)F)c3ccncc3)c4ccncc4)C(F)(F)F"	0	NA	NA	3	1	"523392"	NA
"691980"	691980	"(4Z)-2-hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one"	"NNC1=N\C(=C/c2ccccc2O)\C(=O)N1"	0	""	""	1	1	"135494018"	NA
"691986"	691986	"2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile"	"Nc1c(C#N)c(cn1C(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	"392114"	NA
"691995"	691995	""	NA	0	NA	NA	1	1	"523414"	NA
"691998"	691998	"STK951933"	"Oc1ccccc1CNNC(=O)c2ccccc2O"	0	""	""	1	1	"392123"	NA
"692007"	692007	"6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide"	"Nc1nc(S)c2c(N)n[nH]c2c1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"135489893"	NA
"692008"	692008	"2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide"	"CSc1c(C#N)c(O)nc(N)c1C(=O)Nc2ccc(Cl)cc2"	0	""	""	2	2	"392128"	NA
"692011"	692011	"3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole"	"CSc1n[nH]c2[nH]nc(C)c12"	0	""	""	2	2	"392131"	NA
"692020"	692020	"5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile"	"CSC1=C(C(=O)C)C(=O)N(C(=C1C#N)O)c2ccc(Cl)cc2"	0	""	""	1	1	"392140"	NA
"692021"	692021	"3-methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole"	"CSc1c2c(C)n[nH]c2nn1c3ccccc3"	0	""	""	1	1	"135450457"	NA
"692022"	692022	"4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one"	"CSC(=C1C(=NN(C1=O)c2ccccc2)SC)SC"	0	""	""	1	1	"392142"	NA
"692034"	692034	"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide"	"CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)nn1c3ccccc3"	0	""	""	2	1	"392154"	NA
"692038"	692038	"MSSAIFDJGUDNBX-UHFFFAOYSA-N"	"CSC1=C(C#N)C(=O)NC(=C1C#N)S"	0	""	""	1	1	"392158"	NA
"692043"	692043	"7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one"	"CC(=O)C1=CN(C(=O)c2c(N)n[nH]c12)c3ccc(Cl)cc3"	0	""	""	1	1	"392163"	NA
"692194"	692194	"Succinolide"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@H](OC(=O)C3=C)C1=O)\C"	0	""	""	1	1	"5469752"	NA
"692227"	692227	"Cystine, N-2-propynyl-"	"NC(CSSCC(NCC#C)C(=O)O)C(=O)O"	0	""	""	1	1	"392174"	NA
"692228"	692228	"2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-2-(sulfanylmethylamino)acetamide"	"CN(C)CC(NC(NCS)C(=O)NCCNc1ccc(NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)c2C(=O)c3c(O)ccc(O)c3C(=O)c12)OCCl"	0	""	""	2	2	"438971"	NA
"692229"	692229	"5-hydroxy-dehydroiso-.alpha.-lapachone"	"CC(=C)C1CC2=C(O1)C(=O)c3cccc(O)c3C2=O"	0	""	""	2	2	"392175"	NA
"692303"	692303	"2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)S(=O)c3ccc(O)cc3"	0	""	""	2	2	"9866928"	NA
"692306"	692306	"2,3-dihydro-1,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin a"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)CCN"	0	""	""	2	2	"24202571"	NA
"692308"	692308	"2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one"	"COc1cc(OC)cc(\C=C\2/CCc3cc(OC)c(OC)cc3C2=O)c1"	0	""	""	2	2	"5469759"	NA
"692309"	692309	"2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one"	"COc1cc(OC)cc(\C=C\2/Cc3cc(OC)c(OC)cc3C2=O)c1"	0	""	""	2	2	"5469760"	NA
"692313"	692313	"2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one"	"COc1cc2C\C(=C/c3cc(C)cc(C)c3)\C(=O)c2cc1OC"	0	""	""	2	2	"5469762"	NA
"692317"	692317	"2(1h)-pyrimidinone, 4-[(9-ethyl-9h-carbazol-3-yl)amino]-..."	"CCn1c2ccccc2c3cc(NC4=NC(=O)NC(=C4)C)ccc13"	0	""	""	2	1	"392190"	NA
"692328"	692328	"9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	"CN1C(=O)N(C)c2nc3N(Cc4ccccc4)C(=O)C(=Cn3c2C1=O)Br"	0	""	""	1	1	"392195"	NA
"692332"	692332	"9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	"CN1C(=O)N(C)c2nc3N(CC(O)CCl)C(=O)C=Cn3c2C1=O"	0	""	""	1	1	"392199"	NA
"692338"	692338	"2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid"	"CN1C(=O)N(C)c2nc(NCCCCl)n(CC(=O)O)c2C1=O"	0	""	""	1	1	"392205"	NA
"692339"	692339	""	"Cc1cccc2N[C@](C)(C(=O)c12)[C@]3(C)Nc4cccc(C)c4C3=O"	0	NA	NA	1	1	"523508"	NA
"692340"	692340	""	"Cc1cccc2N[C@](C)(C(=O)c12)[C@@]3(C)Nc4cccc(C)c4C3=O"	0	NA	NA	1	1	"523509"	NA
"692343"	692343	"Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate"	"COC(=O)C1Cc2c([nH]c3ccccc23)c4[nH]c5ccccc5c4CC(NC(=O)C)C(=O)N6CCCC6C(=O)N1"	0	""	""	1	1	"392210"	NA
"692344"	692344	"Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate"	"COC(=O)C1Cc2c([nH]c3ccccc23)c4[nH]c5ccccc5c4CC(NC(=O)C)C(=O)NCC(=O)N1"	0	""	""	1	1	"392211"	NA
"692346"	692346	"1-(1H-Indol-1-yl(oxo)acetyl)-1H-indole"	"O=C(C(=O)n1ccc2ccccc12)n3ccc4ccccc34"	0	""	""	1	1	"392213"	NA
"692347"	692347	"Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate"	"COC(=O)CC1C2N(C(=O)n3c2c(CC(=O)OC)c4ccccc34)c5ccccc15"	0	""	""	1	1	"392214"	NA
"692348"	692348	"methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate"	"COC(=O)Cc1c([nH]c2ccccc12)C3=Nc4ccccc4C3(O)CC(=O)OC"	0	""	""	1	1	"392215"	NA
"692349"	692349	""	"COC(=O)C[C@H]1[C@@H](N(C(=O)C(F)(F)F)c2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	NA	NA	1	1	"523518"	NA
"692350"	692350	""	"COC(=O)C[C@H]1[C@@H](N(c2ccccc12)S(=O)(=O)c3ccc(C)cc3)c4[nH]c5ccccc5c4CC(=O)OC"	0	NA	NA	2	2	"523519"	NA
"692351"	692351	""	"CN1C(=O)[C@H]([C@H](C1=O)c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	NA	NA	2	1	"523520"	NA
"692352"	692352	""	"COc1ccc(cc1)C2OC[C@H]3O[C@@H](OCc4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O2"	0	NA	NA	1	1	"523521"	NA
"692355"	692355	""	"CN1C(=O)[C@@H]2[C@H]3[C@H](Nc4ccccc34)c5[nH]c6ccccc6c5[C@@H]2C1=O"	0	NA	NA	1	1	"523524"	NA
"692356"	692356	"13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione"	"CN1C(=O)c2c(C1=O)c3c4ccccc4n(C5OC(CO)C(O)C(O)C5O)c3c6[nH]c7ccccc7c26"	0	""	""	2	2	"392223"	NA
"692358"	692358	""	"CN1C(=O)[C@@H]2[C@H]3[C@H](N(c4ccccc34)S(=O)(=O)C(F)(F)F)c5[nH]c6ccccc6c5[C@@H]2C1=O"	0	NA	NA	1	1	"523527"	NA
"692359"	692359	""	"COC(=O)C[C@H]1[C@@H](Nc2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	NA	NA	1	1	"523528"	NA
"692362"	692362	""	"C1Cc2c([nH]c3ccccc23)[C@H]4Nc5ccccc5[C@@H]14"	0	NA	NA	1	1	"523531"	NA
"692364"	692364	"[4,5-diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)n2c3ccccc3c4ccc5c6ccccc6[nH]c5c24"	0	""	""	1	1	"392232"	NA
"692365"	692365	"12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole"	"Cc1ccc(cc1)S(=O)(=O)N2[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c6ccccc26"	0	""	""	1	1	"392233"	NA
"692367"	692367	""	"Brc1ccc2N[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c2c1"	0	NA	NA	1	1	"523536"	NA
"692368"	692368	""	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c6ccccc26.CC(=O)OC7COC(C(OC(=O)C)C7OC(=O)C)N8[C@@H]9[C@@H](CCc%10c9[nH]c%11ccccc%10%11)c%12ccccc8%12"	0	NA	NA	1	1	"523537"	NA
"692372"	692372	"Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxopropyl)indol-1-yl]ethyl]indol-3-yl]propanoate"	"COC(=O)C(Cc1cn(C(C)n2cc(CC(NC(=O)C)C(=O)OC)c3ccccc23)c4ccccc14)NC(=O)C"	0	""	""	1	1	"392239"	NA
"692377"	692377	"3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile"	"Nc1c(C#N)sc2nc3ccccc3n12"	0	""	""	1	1	"392241"	NA
"692379"	692379	"Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one"	"O=C1NC=Nc2c1sc3nc4ccccc4n23"	0	""	""	1	1	"135489896"	NA
"692381"	692381	"benzyl[?]imine"	"N=C1N(Cc2ccccc2)C=Nc3c1sc4nc5ccccc5n34"	0	""	""	1	1	"392245"	NA
"692391"	692391	"1-(3,3-Dimethyl-1-butynyl)-1,2-benziodoxol-3(1H)-one"	"CC(C)(C)C#CI1OC(=O)c2ccccc12"	0	""	""	3	2	"392250"	NA
"692392"	692392	"1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one"	"O=C1OI(C#Cc2ccccc2)c3ccccc13"	0	""	""	2	1	"392251"	NA
"692395"	692395	"3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4ccc5ccccc5c4C=C3"	0	""	""	2	1	"392254"	NA
"692396"	692396	"8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"COc1cccc2C=CC3(Oc4ccccc4C(=O)N3C)Oc12"	0	""	""	1	1	"392255"	NA
"692397"	692397	"7'-Hydroxy-3-methylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4cc(O)ccc4C=C3"	0	""	""	1	1	"392256"	NA
"692399"	692399	"8'-[(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4c(\C=N\c5ccccc5O)cc(C)cc4C=C3"	0	""	""	1	1	"392258"	NA
"692400"	692400	"8'-[[4-(Dimethylamino)phenyl]iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN(C)c1ccc(cc1)\N=C\c2cc(C)cc3C=CC4(Oc5ccccc5C(=O)N4C)Oc23"	0	""	""	2	2	"392259"	NA
"692405"	692405	"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione"	"CC1(C)OC(=S)N(c2ccccc2)C13Oc4ccccc4C=C3"	0	""	""	1	1	"392264"	NA
"692406"	692406	"5,5,6'-Trimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione"	"Cc1ccc2OC3(C=Cc2c1)N(C(=S)OC3(C)C)c4ccccc4"	0	""	""	1	1	"392265"	NA
"692407"	692407	"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-thione"	"CC1(C)OC(=S)N(c2ccccc2)C13Oc4cc5ccccc5cc4C=C3"	0	""	""	1	1	"392266"	NA
"692411"	692411	"2-Chloro-1-[2-[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]-1-piperidyl]ethanone"	"ClCC(=O)N1CCCCC1C2(OCCO2)c3cc4ccccc4[nH]3"	0	""	""	3	2	"392271"	NA
"692423"	692423	"AQ-776/42801277"	"O=S(=O)(NC(c1ccccc1)(c2cc3ccccc3[nH]2)c4cc5ccccc5n4S(=O)(=O)c6ccccc6)c7ccccc7"	0	""	""	1	1	"392289"	NA
"692429"	692429	"2-[2-(Pyridin-2-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole"	"C(c1ccccn1)C2(OCCO2)c3cc4ccccc4[nH]3"	0	""	""	1	1	"392296"	NA
"692574"	692574	"Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-6-(4-methylphenyl)-4H-pyridine-2,3-dicarboxylate"	"COC(=O)C1=C(N(C(=CC1c2ccc(OC)cc2OC)c3ccc(C)cc3)c4ccc(OC)cc4[N+](=O)[O-])C(=O)OC"	0	""	""	3	3	"392298"	NA
"692575"	692575	"2-(3-pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione"	"O=C1OC(=O)C2=C1C(C=C(N2c3ccncc3)c4cccnc4)c5cccs5"	0	""	""	1	1	"392299"	NA
"692576"	692576	"3-pyridinecarboxylic acid, 2-[[(2-chloro-3-pyridinyl)ami..."	"COC(=O)C1=C(N(C(=CC1c2ccc(OC)cc2OC)c3ccc(C)cc3)c4ccc(OC)cc4[N+](=O)[O-])C(=O)Nc5cccnc5Cl"	0	""	""	3	3	"392300"	NA
"692577"	692577	"2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione"	"[O-][N+](=O)c1ccccc1C2C=C(N(C3C2C(=O)OC3=O)c4ccncc4)c5occc5"	0	""	""	2	2	"392301"	NA
"692578"	692578	"6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid"	"OC(=O)C1=C(N(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4)C(=O)O"	0	""	""	2	2	"392302"	NA
"692579"	692579	"dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate"	"COC(=O)C1=C(N(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4)C(=O)OC"	0	""	""	2	2	"392303"	NA
"692580"	692580	"2-[(1-Carboxy-2-hydroxyethyl)carbamoyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid"	"OCC(NC(=O)C1C(C(C=C(N1c2ccncc2)c3occc3)c4ccccc4[N+](=O)[O-])C(=O)O)C(=O)O"	0	""	""	3	2	"392304"	NA
"692581"	692581	"2-[(Z)-1-Acetyloxy-2-carboxy-2-cyanoethenyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid"	"CC(=O)O\C(=C(\C#N)/C(=O)O)\C1C(C(C=C(N1c2ccncc2)c3occc3)c4ccccc4[N+](=O)[O-])C(=O)O"	0	""	""	3	2	"3005339"	NA
"692582"	692582	"6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid"	"OC(=O)C1=CN(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4"	0	""	""	2	1	"392306"	NA
"692584"	692584	"[1-(4'-Chloro-2-hydroxy-5-thiophen-2-ylbiphenyl-3-yl)ethylidene]propanedioic acid"	"CC(=C(C(=O)O)C(=O)O)c1cc(cc(c1O)c2ccc(Cl)cc2)c3cccs3"	0	""	""	2	2	"392308"	NA
"692585"	692585	"Ethyl 4-[2-(2-methoxyphenyl)-6-oxo-4-thiophen-2-ylcyclohexa-1,4-dien-1-yl]-2,4-dioxobutanoate"	"CCOC(=O)C(=O)CC(=O)C1=C(CC(=CC1=O)c2cccs2)c3ccccc3OC"	0	""	""	1	1	"392309"	NA
"692587"	692587	"ethyl-8-(4-chlorophenyl)-4-methyl-2-oxo-6-(thiophen-2-yl..."	"CCOC(=O)C1=C(C)C2C=C(CC(=C2OC1=O)c3ccc(Cl)cc3)c4cccs4"	0	""	""	1	1	"392311"	NA
"692588"	692588	"2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide"	"CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1O)c2ccc(Cl)cc2)c3cccs3"	0	""	""	1	1	"392312"	NA
"692596"	692596	"(Z)-bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium"	"COC(=O)N=[N+]([O-])C(c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	"9556321"	NA
"692597"	692597	"(Z)-[cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium"	"COC(=O)N=[N+]([O-])C(C1CCCCC1)c2ccc(OC)cc2"	0	""	""	2	2	"9556322"	NA
"692603"	692603	"ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate"	"CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC"	0	""	""	1	1	"392327"	NA
"692613"	692613	"Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate"	"COC(=O)N1N(C(=O)Nc2ccccc2)C(=O)N(C1=O)c3ccccc3"	0	""	""	1	1	"392337"	NA
"692616"	692616	"tert-butyl tert-butyl(prop-2-en-1-yloxy)carbamate"	"CC(C)(C)OC(=O)N(OCC=C)C(C)(C)C"	0	""	""	1	1	"392340"	NA
"692617"	692617	"tert-butyl N-but-3-enoxy-N-phenyl-carbamate"	"CC(C)(C)OC(=O)N(OCCC=C)c1ccccc1"	0	""	""	1	1	"392341"	NA
"692632"	692632	"2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid"	"OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3Nc12"	0	""	""	2	1	"392348"	NA
"692637"	692637	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]acetic acid"	"CN(C)CCNC(=O)c1cccc2c(NCC(=O)O)c3ccccc3nc12"	0	""	""	1	1	"392353"	NA
"692638"	692638	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-guanidino-pentanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CCCNC(=N)N)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	"392354"	NA
"692640"	692640	"5-Amino-2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-oxo-pentanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CCC(=O)N)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	"392356"	NA
"692641"	692641	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CS)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	"392357"	NA
"692646"	692646	"2-(Acridine-9-carbonylamino)-3-sulfanyl-propanoic acid"	"OC(=O)C(CS)NC(=O)c1c2ccccc2nc3ccccc13"	0	""	""	1	1	"392362"	NA
"692647"	692647	"N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide"	"O=C(Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2)c3c4ccccc4nc5ccccc35"	0	""	""	1	1	"392363"	NA
"692651"	692651	"N-[4-(acetylsulfamoyl)phenyl]acridine-9-carboxamide"	"CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"392367"	NA
"692655"	692655	"d-homo-17a-aza-5-androsteno[17,16-c]pyrazol-3-yl,2'-(4-f..."	"CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)Nc5c(C[C@H]4[C@@H]3CC=C2C1)cnn5c6ccc(F)cc6"	0	NA	NA	3	2	"523666"	NA
"692736"	692736	"Neuro_000459"	"Nc1ccc2C(CCl)CN(C(=O)CCCC(=O)N3CC(CCl)c4ccc(N)cc34)c2c1"	0	""	""	2	2	"392378"	NA
"692737"	692737	"9-amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCCN4CCOCC4)c3nc12"	0	""	""	2	2	"392379"	NA
"692738"	692738	""	"CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3cccc(C)c3nc12"	0	NA	NA	3	2	"523675"	NA
"692739"	692739	"GPRXWDOJSMVDHQ-UHFFFAOYSA-N"	"CC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	2	"4365483"	NA
"692744"	692744	"(4R,7S,10S,13S,15E,17R,19S)-7-[(4-hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](CC(=O)O1)c3ccc(O)cc3"	0	""	""	1	1	"5469771"	NA
"692745"	692745	"1h-inden-1-one, 2,3-dihydro-2-[(4-hydroxy-3,5-dimethylph..."	"COc1cc2C\C(=C/c3cc(C)c(O)c(C)c3)\C(=O)c2cc1OC"	0	""	""	2	2	"5469772"	"225652551"
"692753"	692753	"callipeltin a"	"COC(C1NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@@H](C)CC(C)C)[C@@H](C)[C@@H](C)C(=O)N)[C@@H](C)OC(=O)[C@H](C)N(C)C1=O)C(C)O)c2ccc(O)cc2"	0	NA	NA	2	1	"523684"	NA
"692754"	692754	"4-Hexoxybenzenecarbohydroxamic acid"	"CCCCCCOc1ccc(cc1)C(=O)NO"	0	""	""	3	3	"392390"	NA
"692756"	692756	"3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide"	"ONC(=O)c1cccc(OCc2ccc(Br)cc2)c1"	0	""	""	3	2	"392392"	NA
"692758"	692758	"4-(Hexyloxy)-N-hydroxy-N-methylbenzamide"	"CCCCCCOc1ccc(cc1)C(=O)N(C)O"	0	""	""	3	3	"392394"	NA
"692759"	692759	"4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide"	"CN(O)C(=O)c1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	2	2	"392395"	NA
"692760"	692760	"STL432251"	"ONC(=O)c1ccc(OCc2ccccc2)cc1"	0	""	""	1	1	"392396"	NA
"692761"	692761	"4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide"	"ONC(=O)c1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	2	1	"392397"	NA
"692763"	692763	"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide"	"ONC(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	1	1	"392399"	NA
"692765"	692765	"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide"	"CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	1	1	"392401"	NA
"693021"	693021	""	"Cn1c(nc2ccccc12)[C@H](C#N)C(=O)c3cc(O)ccc3[N+](=O)[O-]"	0	NA	NA	1	1	"523817"	NA
"693025"	693025	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1ccc(cc1)C2=C(N)N(C(=O)c3cc(ccc23)[N+](=O)[O-])c4cc(OC)cc(OC)c4"	0	""	""	2	2	"392508"	NA
"693029"	693029	"5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"FCCOc1c(C#N)c2nc3ccccc3n2c4ccccc14"	0	""	""	1	1	"392512"	NA
"693035"	693035	"Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate"	"COC(=O)C(=C)c1cc2ccccc2n1S(=O)(=O)c3ccccc3"	0	""	""	3	2	"392519"	NA
"693037"	693037	"AQ-776/42801162"	"[O-][N+](=O)c1cccc(c1)c2cn3Cc4ccccc4Cc3n2"	0	""	""	1	1	"392521"	NA
"693038"	693038	"Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate"	"COC(=O)c1nn2ccc3ccccc3c2c1C(=O)OC"	0	""	""	1	1	"392522"	NA
"693043"	693043	"Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate"	"CCC1CN(C(Cc2c[nH]c3ccccc23)C(=O)C1CC(=O)OC)C(=O)c4ccccc4"	0	""	""	1	1	"392527"	NA
"693049"	693049	"2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone"	"Cc1cc(on1)c2ccc([nH]2)C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	"392533"	NA
"693050"	693050	"(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one"	"O=C1N(N=C(/C/1=C/2\CCCN2)c3ccc[nH]3)c4ccccc4"	0	""	""	1	1	"392534"	NA
"693086"	693086	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)/C/1=C/C#N)N2C=CC(=O)NC2=O"	0	NA	NA	3	2	"523855"	NA
"693088"	693088	"[2-[1-(6-Benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate"	"CC(OCCN(OC(=O)Oc1ccccc1)C(=O)Oc2ccccc2)N3C(=O)NC(=O)C(=C3Cc4ccccc4)C"	0	""	""	1	1	"392545"	NA
"693089"	693089	""	"CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(=O)NC2=O)/C/1=C\C#N"	0	NA	NA	1	1	"523858"	NA
"693090"	693090	""	"COC(=O)[C@@H]1O[C@]12C(CO[Si](C)(C)C(C)(C)C)OC(C2O[Si](C)(C)C(C)(C)C)N3C=CC(=O)NC3=O"	0	NA	NA	1	1	"523859"	NA
"693092"	693092	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)[C@@]12O[C@H]2C(=O)N)N3C=CC(=O)NC3=O"	0	NA	NA	1	1	"523861"	NA
"693117"	693117	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	""	""	3	2	"392570"	NA
"693118"	693118	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCN(C)c1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	""	""	2	2	"392571"	NA
"693119"	693119	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	"392572"	NA
"693120"	693120	"Neuro_000462"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3C(=O)c4c(NCCNCCO)ccc(C1=O)c24"	0	""	""	2	2	"392573"	NA
"693122"	693122	"1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione"	"O=C1CC(=O)N(N1\C(=C\c2ccccc2)\c3ccccc3)c4ccccc4"	0	""	""	1	1	"5469828"	NA
"693126"	693126	"N,N'-bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide"	"CC1(C)CC(=O)c2c(C1)nc3ccc4ccccc4c3c2c5ccc(NC(=O)CCCC(=O)Nc6ccc(cc6)c7c8C(=O)CC(C)(C)Cc8nc9ccc%10ccccc%10c79)cc5"	0	""	""	1	1	"392579"	NA
"693129"	693129	""	"[O-][N+](=O)\C(=C\c1ccccc1)\C(=C/c2ccccc2)\[N+](=O)[O-]"	0	NA	NA	1	1	"523896"	NA
"693130"	693130	"(e,e)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene"	"[O-][N+](=O)\C(=C\c1cccc2ccccc12)\C(=C/c3cccc4ccccc34)\[N+](=O)[O-]"	0	NA	NA	2	2	"523897"	NA
"693131"	693131	""	"[O-][N+](=O)\C(=C\c1cccs1)\C(=C/c2cccs2)\[N+](=O)[O-]"	0	NA	NA	2	2	"523898"	NA
"693132"	693132	"1,3-butadiene, 1,4-bis(4-methoxyphenyl)-2,3-dinitro-"	"COc1ccc(\C=C(/C(=C\c2ccc(OC)cc2)/[N+](=O)[O-])\[N+](=O)[O-])cc1"	0	NA	NA	2	2	"523899"	NA
"693133"	693133	""	"Cc1cc(C)c(\C=C(/C(=C\c2c(C)cc(C)cc2C)/[N+](=O)[O-])\[N+](=O)[O-])c(C)c1"	0	NA	NA	1	1	"523900"	NA
"693135"	693135	""	"[O-][N+](=O)\C(=C\C1CCCCC1)\C(=C/C2CCCCC2)\[N+](=O)[O-]"	0	NA	NA	2	2	"523902"	NA
"693136"	693136	""	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCCN)OCCCN"	0	NA	NA	1	1	"523903"	NA
"693141"	693141	""	"COc1cc(CCCl)c(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC"	0	NA	NA	1	1	"523908"	NA
"693142"	693142	""	"COc1ccc2C(=NCCc2c1)Cc3cc(OC)c(OC)cc3CCCl"	0	NA	NA	1	1	"523909"	NA
"693144"	693144	"2,3-Dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one"	"COc1cc2CCN3C(=O)c4ccccc4C=C3c2cc1OC"	0	""	""	1	1	"392604"	NA
"693145"	693145	"8h-dibenzo[a,g]quinolizine-8-one, 5,6-dihydro- 2,3,10,11..."	"COc1cc2CCN3C(=O)c4cc(OC)c(OC)cc4C=C3c2cc1OC"	0	""	""	2	2	"392605"	NA
"693146"	693146	"2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	"COc1ccc2CN3CCc4ccccc4CC3Cc2c1"	0	""	""	1	1	"392606"	NA
"693147"	693147	"STK279206"	"COc1ccc(cc1)C(=C2C=CC=C2)c3ccc(OC)cc3"	0	""	""	1	1	"392607"	NA
"693167"	693167	"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)O2)C(=O)NC1=O"	0	""	""	2	2	"392611"	NA
"693169"	693169	"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	"392613"	NA
"693172"	693172	"(4-Fluorophenyl)methyl-hexadecyl-dimethyl-ammonium chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1"	0	""	""	2	2	"392616"	NA
"693177"	693177	"ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole..."	"CCOC(=O)c1csc(n1)c2cn(C)c3C(=O)C=C(OC)C(=O)c23"	0	""	""	2	2	"392618"	NA
"693178"	693178	"2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	"COC1=CC(=O)c2c(C1=O)c(cn2C)c3nc(C)cs3"	0	""	""	2	1	"392619"	NA
"693179"	693179	"2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	"Cc1csc(n1)c2cn(C)c3C(=O)C=C(N)C(=O)c23"	0	""	""	2	2	"392620"	NA
"693180"	693180	"4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole"	"COC1=CC(=O)c2c(C1=O)c(cn2C)c3csc(C)n3"	0	""	""	2	2	"392621"	NA
"693184"	693184	"norvir"	"CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4"	0	""	"FDA approved"	2	1	"-1"	"155213675"
"693185"	693185	"2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol"	"CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC5OC(C)C(O)C(O)C5O"	0	""	""	2	2	"392623"	NA
"693207"	693207	""	"CCOC(=O)\C=C(\OCC)/[C@H]1[C@H](C1C(=O)c2ccc(Cl)cc2)\C(=C/C(=O)OCC)\OCC"	0	NA	NA	2	2	"523936"	NA
"693208"	693208	""	"CCOC(=O)\C=C(\OCC)/[C@H]1[C@@H](C1C(=O)c2ccc(Cl)cc2)\C(=C/C(=O)OCC)\OCC"	0	NA	NA	2	2	"523937"	NA
"693210"	693210	""	"OC(=O)[C@H](Cc1ccccc1)NCCN2CCC[C@H]2C(=O)O"	0	NA	NA	1	1	"523939"	NA
"693211"	693211	""	"S1C2Sc3ccccc3[S+]2c4ccccc14"	0	NA	NA	2	2	"523940"	NA
"693215"	693215	"Ethyl 5,5,19-trimethyl-6,10-dioxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene-11-carboxylate"	"CCOC(=O)c1oc2cc3OC(C)(C)C=Cc3c4N(C)c5ccccc5c1c24"	0	""	""	2	2	"392635"	NA
"693216"	693216	"bis(2-tert-butylphenyl)[?]trione"	"CC(C)(C)c1ccccc1N2C(=O)c3ccc4N(C(=O)c5ccc(C2=O)c3c45)c6ccccc6C(C)(C)C"	0	""	""	1	1	"392636"	NA
"693218"	693218	""	"NCCCNOCCCN"	0	NA	NA	1	1	"523947"	NA
"693224"	693224	""	"O=C1C[C@H](Sc2ccccc2)C3(OCCO3)[C@H](C1)Sc4ccccc4"	0	NA	NA	2	2	"523953"	NA
"693225"	693225	""	"O=C1C[C@@H](Sc2ccccc2)C3(OCCO3)C4ON5CCCC[C@H]5[C@H]14"	0	NA	NA	2	2	"523954"	NA
"693226"	693226	"3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide"	"COc1ccc(CCN(C)C(=O)CC(C#N)(c2ccccc2)c3ccc(OC)c(OC)c3)cc1OC"	0	""	""	2	2	"392647"	NA
"693234"	693234	"7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile"	"N#CC1=C(Nc2ccccc2)SC=C(N=C1NCc3ccccc3)c4ccccc4"	0	""	""	1	1	"135408097"	NA
"693236"	693236	"Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate"	"COC(=O)C(C)(C)OCc1ccc(cc1)C2NC(=O)N(C(=O)N2c3cccc(Cl)c3)c4cccc(Cl)c4"	0	""	""	1	1	"392657"	NA
"693246"	693246	""	"C\C(=N/Nc1ncnc2ccccc12)\c3ccccn3"	0	NA	NA	3	2	"523969"	NA
"693247"	693247	""	"C\C(=N/Oc1cc(Cl)ncn1)\c2ccccn2"	0	NA	NA	1	1	"523970"	NA
"693248"	693248	"(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone"	"Clc1cc(N\N=C(/c2ccccc2)\c3ccccn3)ncn1"	0	""	""	1	1	"9571636"	NA
"693255"	693255	"Tyrphostin AG 1478"	"COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC"	0	"PK:YK"	""	5	4	"2051"	NA
"693321"	693321	"N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide"	"C\C(=N\NC(=S)N1CCCCCC1)\C(=N/NC(=S)N2CCCCCC2)\C"	0	""	""	2	1	"6413111"	NA
"693322"	693322	"hydrazinecarbothioamide, 2,2'-(1,2-ethanediylidene)bis[n..."	"CN(C)C(=S)N\N=C/C=N\NC(=S)N(C)C"	0	NA	NA	2	2	"523977"	NA
"693323"	693323	""	"S=C(N\N=C/C=N\NC(=S)N1CCCCC1)N2CCCCC2"	0	NA	NA	2	2	"523978"	NA
"693324"	693324	""	"S=C(N\N=C/C=N\NC(=S)N1CCCCCC1)N2CCCCCC2"	0	NA	NA	2	2	"523979"	NA
"693325"	693325	""	"CN(C)C(=S)N\N=C/C(=N\NC(=S)N(C)C)/C"	0	NA	NA	2	2	"523980"	NA
"693326"	693326	""	"C\C(=N\NC(=S)N1CCCCC1)\C=N/NC(=S)N2CCCCC2"	0	NA	NA	2	1	"523981"	NA
"693327"	693327	""	"CN(C)C(=S)N\N=C/C(=N\NC(=S)N(C)C)/c1ccccc1"	0	NA	NA	2	2	"523982"	NA
"693328"	693328	"n',n''-(1 phenylethane-1,2-diylidene)dipiperidine-1-carb..."	"S=C(N\N=C/C(=N\NC(=S)N1CCCCC1)/c2ccccc2)N3CCCCC3"	0	NA	NA	2	1	"523983"	NA
"693330"	693330	""	"CN(C)C(=S)N\N=C(\C)/C(=N\NC(=S)N(C)C)/c1ccccc1"	0	NA	NA	2	1	"523985"	NA
"693331"	693331	""	"C\C(=N\NC(=S)N1CCCCC1)\C(=N/NC(=S)N2CCCCC2)\c3ccccc3"	0	NA	NA	2	1	"523986"	NA
"693332"	693332	""	"CNC(=S)N\N=C(/C(=N\NC(=S)NC)/c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	"523987"	NA
"693333"	693333	""	"CN(C)C(=S)N\N=C(/C(=N\NC(=S)N(C)C)/c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	"523988"	NA
"693334"	693334	""	"S=C(N\N=C(/C(=N\NC(=S)N1CCCCC1)/c2ccccn2)\c3ccccn3)N4CCCCC4"	0	NA	NA	1	1	"523989"	NA
"693335"	693335	""	"C\C(=N\NC(=S)N1CCN(CC1)C(=S)N\N=C(\C)/c2ccccn2)\c3ccccn3"	0	NA	NA	2	2	"523990"	NA
"693404"	693404	"3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile"	"COc1cc(cc(OC)c1OC)C(O)(CC#N)c2cc3OCOc3cc2Br"	0	""	""	1	1	"392686"	NA
"693405"	693405	""	"COC12OC3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1C(=O)Oc4ccccc4)C5OC25"	0	NA	NA	1	1	"523999"	NA
"693406"	693406	""	"CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C2C(C3(C)OC12C(O)C3O)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	"524000"	NA
"693407"	693407	""	"COC12OC3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c4ccccc4)C5OC25"	0	NA	NA	3	1	"524001"	NA
"693409"	693409	"Benzyl N-[1-hydroxy-3-[4-[5-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-methoxyphenoxy]phenyl]propan-2-yl]carbamate"	"COc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1Oc3ccc(CC(CO)NC(=O)OCc4ccccc4)cc3"	0	""	""	1	1	"392691"	NA
"693413"	693413	"(2Z)-10-azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene"	"COc1cc2CC(N=[N+]=[N-])c3cc(OC)c(OC)cc3\C=C/c2cc1OC"	0	""	""	1	1	"5469850"	NA
"693414"	693414	"(NE)-N-[(10Z)-6,7,14,15-tetramethoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenylidene]hydroxylamine"	"COc1cc2C\C(=N/O)\c3cc(OC)c(OC)cc3\C=C/c2cc1OC"	0	""	""	2	2	"9571640"	NA
"693416"	693416	"4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene"	"COc1cc2CC3N=CC(c2cc1OC)c4cc(OC)c(OC)cc34"	0	""	""	1	1	"392698"	NA
"693421"	693421	""	"COC1(CC[C@H]2[C@@H]1C[C@@](O)([C@H]3Oc4ccccc4[C@@H]23)C(=C)[Si](C)(C)C)OC"	0	NA	NA	1	1	"524015"	NA
"693422"	693422	"Cineolic acid"	"CC1(C)OC(C)(CCC1C(=O)O)C(=O)O"	0	""	""	1	1	"392705"	NA
"693428"	693428	"TMIQ"	"CN1CC(O)c2cc(O)c(O)cc2C1"	0	""	""	1	1	"157875"	NA
"693433"	693433	"1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one"	"O=C1N(Cc2ccccc2)C3CSCC3N1Cc4ccccc4"	0	""	""	1	1	"392715"	NA
"693438"	693438	""	"O=C(Oc1ccc(\C=C\2/CCCCC2=O)cc1)\C=C\c3ccccc3"	0	NA	NA	1	1	"524032"	NA
"693440"	693440	"[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate"	"COc1ccc(\C=C\C(=O)Oc2ccc(\C=C\3/CCCCC3=O)cc2)cc1"	0	""	""	2	2	"5922684"	NA
"693442"	693442	""	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccc(Cl)cc3)cc2)\C1=O"	0	NA	NA	2	2	"524036"	NA
"693443"	693443	"2-{4-[3-(3,4-dichlorophenyl)-2-propenyloxy]phenyl}-methy..."	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)\C1=O"	0	NA	NA	2	2	"524037"	NA
"693536"	693536	""	"CC(=O)OCC1OC(OC(C)(C)CC\C=C(/C)\[C@H]2CC\C(=C\CC\C(=C\C2)\C)\C)C(O)C(O)C1OC(=O)C"	0	NA	NA	2	2	"524044"	NA
"693537"	693537	""	"CC(=O)OCC1OC(OC(C)(C)CC\C=C(/C)\[C@H]2CC\C(=C\CC\C(=C\C2)\C)\C)C(O)C(O)C1OC(=O)C"	0	NA	NA	1	1	"524045"	NA
"693538"	693538	"Elisabethasin A"	"C[C@@H]1C[C@H](C=C(C)C)[C@]2([C@H]1CC[C@H](C)C2=O)C(=O)C(=C)C"	0	""	""	1	1	"392732"	NA
"693539"	693539	"[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)C(OC(=O)CC6=CCCC6)[C@@H]14"	0	""	""	3	3	"392733"	NA
"693543"	693543	"4-acridinecarboxamide, 9-amino-n-[3-[(2-aminoethyl)amino..."	"Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12"	0	NA	NA	2	2	"524051"	NA
"693544"	693544	""	"CNc1c2cccc(C)c2nc3c(cccc13)C(=O)NCCN(C)C"	0	NA	NA	2	2	"524052"	NA
"693545"	693545	"4-acridinecarboxamide, 9-amino-n-[2-[(2-aminoethyl)amino..."	"Cc1cccc2c(N)c3cccc(C(=O)NCCNCCN)c3nc12"	0	NA	NA	2	2	"524053"	NA
"693546"	693546	"1h-benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-n-..."	"CNc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4"	0	""	""	2	1	"392743"	NA
"693547"	693547	"2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine"	"Cc1ccc(c(O)c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	"392744"	NA
"693561"	693561	"1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione"	"CCCC1=C(OC)C(=O)c2c(O)cc(OC)c3c4c(OC)cc(O)c5C(=O)C(=C(CCC)c(c1c23)c45)OC"	0	""	""	1	1	"3701764"	NA
"693562"	693562	"2,11-dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione"	"COc1cc(OC)c2c3c(OC)cc(OC)c4C(=O)C(=C(\C=C\C)c(c5C(=C(O)C(=O)c1c25)\C=C\C)c34)O"	0	""	""	1	1	"135505160"	NA
"693563"	693563	"N-[5-[(E)-3-[8-(chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3c2cc(OCc4ccccc4)c5[nH]cc(C)c35)n(C)c1"	0	""	""	2	2	"5469857"	NA
"693568"	693568	"2-Amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O"	0	""	""	1	1	"375165"	NA
"693569"	693569	"Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride"	"CCOC(=O)CNC(=O)C(CSC(=O)N(O)c1ccc(Cl)cc1)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	"392750"	NA
"693570"	693570	"Ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride"	"CCOC(=O)CNC(=O)C(CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	"392752"	NA
"693571"	693571	"N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	"5469858"	NA
"693572"	693572	"4-[(Z)-(6-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1ccc2c(c1)\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n24"	0	""	""	2	2	"5469860"	NA
"693573"	693573	"(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3cc(O)ccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	"5469862"	NA
"693576"	693576	"N,N-dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C\c2cc(c3ccccc3)[n+](C)n2c4ccccc4)cc1"	0	""	""	2	2	"5469868"	NA
"693592"	693592	""	"CO[C@](C(=O)OC[C@H]1[C@@H](COC(=O)C)[C@@H]2O[C@H]1c3cc4OCOc4cc23)(c5ccccc5)C(F)(F)F"	0	NA	NA	1	1	"524072"	NA
"693619"	693619	"N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3ccncn3"	0	""	""	1	1	"5918602"	NA
"693620"	693620	"5-nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine"	"[O-][N+](=O)c1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	""	""	2	2	"6519692"	NA
"693622"	693622	"N-[(E)-[(4-methoxyphenyl)-pyridin-2-ylmethylidene]amino]pyridin-2-amine"	"COc1ccc(cc1)\C(=N/Nc2ccccn2)\c3ccccn3"	0	""	""	2	2	"9630043"	NA
"693623"	693623	"N-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine"	"N(\N=C(/c1ccccc1)\c2cccnn2)c3ccccn3"	0	""	""	3	2	"6418605"	NA
"693624"	693624	"6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine"	"Clc1cc(N\N=C(/c2ccccc2)\c3ncccn3)ncn1"	0	""	""	1	1	"5893153"	NA
"693625"	693625	"N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyridin-2-amine"	"N(\N=C(/c1ccccc1)\c2ncccn2)c3ccccn3"	0	""	""	2	2	"6289386"	NA
"693626"	693626	"N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine"	"N(\N=C(\c1ccccc1)/c2ccccn2)c3cnc4ccccc4n3"	0	""	""	2	2	"5869744"	NA
"693627"	693627	""	"Clc1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	NA	NA	2	2	"524082"	NA
"693628"	693628	"3-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine"	"FC(F)(F)c1cnc(N\N=C(/c2ccccc2)\c3ccccn3)c(Cl)c1"	0	""	""	1	1	"5905604"	NA
"693629"	693629	"5-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine"	"FC(F)(F)c1cc(Cl)cnc1N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	1	1	"6067084"	NA
"693630"	693630	"N-[(E)-1-pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cccnn3"	0	""	""	1	1	"9572043"	NA
"693631"	693631	"N-[(E)-1-pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cnccn3"	0	""	""	2	2	"9572044"	NA
"693632"	693632	"2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]th..."	"C\C(=N/Nc1nc2ccccc2s1)\c3ccncn3"	0	""	""	2	2	"5351439"	NA
"693633"	693633	"N-[(E)-1-(6-methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cc(C)ncn3"	0	""	""	3	2	"9572045"	NA
"693634"	693634	"5-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(F)ccc2s1)\c3ccccn3"	0	""	""	2	2	"9572046"	NA
"693635"	693635	"N-[(E)-1-pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine"	"C\C(=N/Nc1nc2cccnc2s1)\c3ccccn3"	0	""	""	2	2	"9572047"	NA
"693636"	693636	"N-[(E)-1-pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3ncccn3"	0	""	""	2	2	"9572048"	NA
"693637"	693637	"N-[(E)-1-(6-methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine"	"C\C(=N/Nc1oc2ccccc2n1)\c3cc(C)ncn3"	0	""	""	2	2	"9572049"	NA
"693638"	693638	"ethanone, 1-(3-isoquinolinyl)-, (2-benzoxazolyl)hydrazone"	"C\C(=N/Nc1oc2ccccc2n1)\c3cc4ccccc4cn3"	0	""	""	2	2	"9572050"	NA
"693639"	693639	"ethanone, 1-(2-pyrimidinyl)-, (2-benzoxazolyl)hydrazone"	"C\C(=N/Nc1oc2ccccc2n1)\c3ncccn3"	0	""	""	2	2	"9572051"	NA
"693700"	693700	""	"CC(=CCCC1(C)Oc2c(CC=C(C)C)c3O[C@@]45C6C[C@@H](C=C4C(=O)c3c(OC(=O)C)c2C=C1)C(=O)C5(C\C=C(\C)/C(=O)O)OC6(C)C)C"	0	NA	NA	3	1	"524095"	NA
"693702"	693702	"gambogic acid"	"CC(=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45C6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)/C(=O)O)OC6(C)C)C"	0	NA	NA	2	2	"524096"	"2752650"
"693714"	693714	"3,3'-bi-1h-indole, 2,2'-dipropyl-"	"CCCc1[nH]c2ccccc2c1c3c(CCC)[nH]c4ccccc34"	0	""	""	2	2	"392793"	NA
"693718"	693718	"1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate"	"COC(=O)C1CCC(=S)N1C(=O)OCc2ccccc2"	0	""	""	1	1	"392797"	NA
"693720"	693720	"AQ-776/42801691"	"COC(=O)C1CCC(=S)N1C(=O)c2ccccc2"	0	""	""	1	1	"392799"	NA
"693765"	693765	"3-Chloro-6-[(3,5-dimethoxyphenoxy)methyl]-2-phenylquinoxaline"	"COc1cc(OC)cc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)c1"	0	""	""	1	1	"392809"	NA
"693766"	693766	"3-Chloro-6-[(4-methoxyphenoxy)methyl]-2-phenylquinoxaline"	"COc1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1"	0	""	""	1	1	"392810"	NA
"693767"	693767	"Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	1	"392811"	NA
"693769"	693769	"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile"	"FC(F)(F)c1ccc2nc(c(COc3ccc(cc3)C#N)nc2c1)c4ccccc4"	0	""	""	1	1	"392813"	NA
"693773"	693773	"3-Chloro-6-[(4-fluorophenoxy)methyl]-2-phenylquinoxaline"	"Fc1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1"	0	""	""	1	1	"392817"	NA
"693774"	693774	"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline"	"Fc1ccc(cc1)N(CC#C)Cc2ccc3nc(c(Cl)nc3c2)c4ccccc4"	0	""	""	1	1	"392818"	NA
"693776"	693776	"3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline"	"Fc1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	2	1	"392820"	NA
"693804"	693804	"2-Cyano-4H-thieno[3,2-b]-1,4-thiazine 1,1-dioxide"	"O=S1(=O)C(=CNc2sccc12)C#N"	0	""	""	1	1	"392827"	NA
"693806"	693806	"3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide"	"Cc1oc(N)c(c1C)S(=O)(=O)c2cc3ccccc3[n+]([O-])c2N"	0	""	""	1	1	"496556"	NA
"693813"	693813	"5-[2-(4-chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile"	"Cc1c(C)n(CCc2ccc(Cl)cc2)c3NC(C(C#N)S(=O)(=O)c13)c4ccccc4"	0	""	""	2	2	"392835"	NA
"693815"	693815	"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-"	"FC(F)(F)C(=O)Nc1sccc1S(=O)(=O)c2ccc(Cl)cc2"	0	""	""	1	1	"392837"	NA
"693816"	693816	"Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	"O=C(Nc1sccc1S(=O)(=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	"392838"	NA
"693817"	693817	"n-(3-tosylthiophen-2-yl)benzamide"	"Cc1ccc(cc1)S(=O)(=O)c2ccsc2NC(=O)c3ccccc3"	0	""	""	2	2	"392839"	"360071609"
"693852"	693852	"11-chloro-10H-indolo[3,2-b]quinoline"	"Clc1c2ccccc2nc3c4ccccc4[nH]c13"	0	""	""	1	1	"5454187"	NA
"693853"	693853	"1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone"	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	"392841"	NA
"693854"	693854	"Cubane-1,3,5,7-tetracarboxylic acid"	"OC(=O)C12C3C4(C5C(C1C35C(=O)O)(C24)C(=O)O)C(=O)O"	0	""	""	1	1	"392842"	NA
"693857"	693857	"Ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(OC)cc2)c3c(CC1(C)O)nn(c3O)c4ccccc4"	0	""	""	1	1	"392845"	NA
"693858"	693858	"Ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(OC)cc2)c3c(O)n(nc3CC1(O)OCC)c4ccccc4"	0	""	""	1	1	"392846"	NA
"693859"	693859	"Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(O)c(OC)c2)c3c(O)[nH]nc3CC1(C)O"	0	""	""	1	1	"392847"	NA
"693867"	693867	"(3e)-7-Chloro-4-hydroxy-1-oxido-3-(p-tolylimino)quinoxalin-1-ium-2-carbonitrile"	"Cc1ccc(Nc2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1"	0	""	""	2	2	"135457335"	NA
"693869"	693869	"2-quinoxalinecarbonitrile , 7-chloro-3-(phenylamino)-, 1..."	"[O-][n+]1c(Nc2ccccc2)c(C#N)[n+]([O-])c3cc(Cl)ccc13"	0	""	""	2	2	"135400998"	NA
"693870"	693870	"3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide"	"Cc1cc2c(cc1C)[n+]([O-])c(C#N)c(Cl)[n+]2[O-]"	0	""	""	1	1	"392858"	NA
"693871"	693871	"8-quinolinol, 7-[(1-pyrrolidinyl)methyl]-, dihydrochloride"	"Oc1c(CN2CCCC2)ccc3cccnc13"	0	""	""	2	2	"392859"	NA
"693872"	693872	"7-(Diethylaminomethyl)quinolin-8-ol hydrochloride"	"CCN(CC)Cc1ccc2cccnc2c1O"	0	""	""	1	1	"392861"	NA
"693882"	693882	"1-propanone, 1-chloro-, o-[[(4-fluoro-3-nitrophenyl) ami..."	"CC\C(=N/OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	"524163"	NA
"693883"	693883	"acetaldehyde, 1-chloro-, o-[[(4-fluoro-3-nitrophenyl) am..."	"C\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	""	""	2	2	"9556327"	NA
"693884"	693884	""	"CCC\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	1	1	"524165"	NA
"693885"	693885	"1-propanone, 1-chloro-2-methyl-, o-[[(4-fluoro- 3-nitrop..."	"CC(C)\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	"524166"	NA
"693923"	693923	"zlchem 373"	"COC(=O)C1CCN(CC1)C(=O)OC(C)(C)C"	0	""	""	1	1	"392870"	NA
"693925"	693925	"Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate"	"CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)OC(C)(C)C"	0	""	""	1	1	"392872"	NA
"693983"	693983	"2-butenedioic acid, (z)-, 2-(1,2,3,4-tetrahydro-2,4-diox..."	"CCOC(=O)\C=C(/N1C=CC(=O)N(CC#C)C1=O)\C(=O)OCC"	0	""	""	2	2	"5469884"	NA
"693984"	693984	"2-butenedioic acid, (e)-, 2-(1,2,3,4-tetrahydro-2,4-diox..."	"CCOC(=O)\C=C(\N1C=CC(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469885"	NA
"693985"	693985	"2-butenedioic acid, (z)-, 2-(1,2,3,4-tetrahydro-5-methyl..."	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(CC#C)C1=O)\C(=O)OCC"	0	""	""	2	2	"5469886"	NA
"693986"	693986	"2-butenedioic acid, (e)-, 2-(1,2,3,4-tetrahydro-5-methyl..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469887"	NA
"693987"	693987	"diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	1	1	"5469888"	NA
"693988"	693988	"diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	2	2	"5469889"	NA
"693990"	693990	"diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	1	1	"5469891"	NA
"693991"	693991	"diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469892"	NA
"693992"	693992	"diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469893"	NA
"693993"	693993	"diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469894"	NA
"693995"	693995	"diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	2	2	"5469896"	NA
"693996"	693996	"diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	2	2	"5469897"	NA
"693997"	693997	"diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	1	1	"5469898"	NA
"693998"	693998	"diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	1	1	"5469899"	NA
"693999"	693999	"diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	1	1	"5469900"	NA
"694000"	694000	"2-butenedioic acid, (e)-, 2-[3-[[[[2-(acetyloxy)ethoxy] ..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469901"	NA
"694001"	694001	"2-butenedioic acid, (e)-, 2-[3-[[[4-(acetyloxy)butyl]- 1..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469902"	NA
"694002"	694002	"2-butenedioic acid, (e)-, 2-[3-[[[4-(acetyloxy)butyl]- 3..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5469903"	NA
"694071"	694071	"naphtho[2,3-b]thiophene-4,9-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	2	2	"392893"	NA
"694072"	694072	"naphtho[2,3-b]thiophene-4,9-dione, 3-acetyl-"	"CC(=O)c1csc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	"392894"	NA
"694073"	694073	"naphtho[2,3-b]thiophene-4,9-dione, 2,7-diacetyl-"	"CC(=O)c1ccc2C(=O)c3cc(sc3C(=O)c2c1)C(=O)C"	0	""	""	2	2	"392895"	NA
"694074"	694074	"(1S,2R,6E,10R,11S,12R,16S)-2-hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one"	"C[C@@H]1CC\C=C(/C)\CCC[C@@](C)(O)[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O2"	0	""	""	1	1	"5469904"	NA
"694075"	694075	"(3aS,5R,9E,14S,15R,15aR)-5,15-dihydroxy-10,14-dimethyl-3,6-dimethylidene-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-2-one"	"C[C@H]1CCC\C(=C\CCC(=C)[C@H](O)C[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]1O)\C"	0	""	""	2	2	"5469905"	NA
"694076"	694076	"(1R,4S,8S,10E,14S)-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one"	"C\C\1=C/CC[C@]2(C)CCC[C@](C)(CC[C@@H]3[C@H](C1)OC(=O)C3=C)O2"	0	""	""	1	1	"54598865"	NA
"694082"	694082	""	"OCCCCC[C@H](OC(=O)c1ccccc1)[C@H]2COC(=O)N2"	0	NA	NA	1	1	"524214"	NA
"694088"	694088	"7-benzyl-2-(4-phenylphenyl)-1H-indole"	"C(c1ccccc1)c2cccc3cc([nH]c23)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"392906"	NA
"694095"	694095	"1-(Bis(acetyloxy)amino)-4-methylbenzene"	"CC(=O)ON(OC(=O)C)c1ccc(C)cc1"	0	""	""	1	1	"392912"	NA
"694099"	694099	""	"Cc1cc(C)c(N)c(CO)c1"	0	NA	NA	2	2	"524229"	NA
"694100"	694100	"benzenemethanol, 2-amino-3,5-dimethyl-"	"Cc1cc(C)c(N)c(CO)c1"	0	NA	NA	2	2	"524230"	NA
"694104"	694104	"5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid"	"Cc1cc(on1)c2ccc([nH]2)C(=O)O"	0	""	""	1	1	"392920"	NA
"694160"	694160	"AE-641/09782016"	"Clc1ccc(Oc2ccc(cc2Cl)\N=C\c3ccc(Cl)cc3Cl)cc1"	0	""	""	1	1	"392946"	NA
"694168"	694168	"3-(3-chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hyd..."	"CCOc1cc(ccc1O)C2SCC(=O)N2c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3"	0	""	""	1	1	"392954"	NA
"694171"	694171	""	"Cc1ccc(cc1)S(=O)(=O)N2C3CC(C=C3)[C@@H]2C(Cl)(Cl)Cl"	0	NA	NA	2	1	"524271"	NA
"694173"	694173	"1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one"	"CSC1C(=O)Nc2ccc3ccccc3c12"	0	""	""	1	1	"392959"	NA
"694176"	694176	"Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate"	"COC(=O)CCC1=CCC2(SC)C(=O)Nc3cccc1c23"	0	""	""	1	1	"392962"	NA
"694177"	694177	"11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione"	"O=C1N2C3CCCCCCC(C=C3)N2C(=O)N1c4ccccc4"	0	""	""	1	1	"392963"	NA
"694178"	694178	"5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene"	"CC12CC1C(N=N2)(c3cccc(c3)[N+](=O)[O-])c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	"392964"	NA
"694212"	694212	"5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one"	"CCc1cc(C2=NSC(=O)O2)c(s1)S(=O)(=O)CC"	0	""	""	1	1	"392970"	NA
"694214"	694214	""	"O=C(O\N=C/1\C=CC(=O)\C(=N/OC(=O)c2ccccc2)\C1=O)c3ccccc3"	0	NA	NA	1	1	"524285"	NA
"694220"	694220	"C4H6N8O"	"NNc1nc2nonc2nc1NN"	0	""	""	2	1	"392978"	NA
"694226"	694226	"3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide"	"N\C(=N\C#N)\c1sc2nc3CCCCc3c(c4ccc(Br)cc4)c2c1N"	0	""	""	1	1	"392984"	NA
"694230"	694230	"N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea"	"Oc1cc(cc(O)c1O)C(=O)NC(=S)NC(=O)c2cc(O)c(O)c(O)c2"	0	""	""	1	1	"3005352"	NA
"694234"	694234	"4-(1-(4-Aminophenyl)-3,4-diphenyl-1H-1.lambda.~4~-thien-1-yl)phenylamine"	"Nc1ccc(cc1)S2(C=C(C(=C2)c3ccccc3)c4ccccc4)c5ccc(N)cc5"	0	""	""	2	1	"392992"	NA
"694253"	694253	"STK846793"	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2nc3ccccc3s2"	0	""	""	2	2	"393001"	NA
"694254"	694254	"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1ccc(cc1)C2=C(N)N(C(=O)c3cc(ccc23)[N+](=O)[O-])c4nc5ccccc5s4"	0	""	""	1	1	"393002"	NA
"694256"	694256	""	"Cn1c(nc2ccccc12)[C@H](C#N)c3ncccc3[N+](=O)[O-]"	0	NA	NA	1	1	"524319"	NA
"694259"	694259	"4-Methylbenzenesulfonate;7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCc5ccccn5)c(C#N)c13"	0	""	""	2	2	"393007"	NA
"694261"	694261	"5-Chloro-3-nitrobenzimidazo[1,2-a]quinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2c(c1)c(Cl)c(C#N)c3nc4ccccc4n23"	0	""	""	2	2	"393011"	NA
"694262"	694262	"4-Methylbenzenesulfonate;7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCCN5CCOCC5)c(C#N)c13"	0	""	""	2	2	"393012"	NA
"694264"	694264	""	"[O-][N+](=O)c1cccnc1[C@@H](C#N)c2nc3ccccc3s2"	0	NA	NA	2	1	"524327"	NA
"694265"	694265	"STL338719"	"CN1C2=C(C#N)C(=O)c3cccnc3N2c4ccccc14"	0	""	""	2	2	"393017"	NA
"694266"	694266	"NCIChal_000043"	"Cn1c2ccccc2n3c4ccccc4c5nnc(N)c5c13"	0	""	""	2	2	"393018"	NA
"694268"	694268	"5-(3-Imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCCn5ccnc5)c(C#N)c13"	0	""	""	2	2	"393022"	NA
"694269"	694269	"benzimidazo[1,2-a][1,8]naphthyridin-7-ium, 6-cyano-5-[[2..."	"COc1cccc(CCNc2c(C#N)c3[n+](C)c4ccccc4n3c5ncccc25)c1"	0	""	""	2	2	"393024"	NA
"694316"	694316	"4-chloro-5-nitro-1H-indazole"	"[O-][N+](=O)c1ccc2[nH]ncc2c1Cl"	0	""	""	1	1	"393038"	NA
"694341"	694341	"6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone"	"O=C1CNc2cc(ccc2N1)N3CCCCC3"	0	""	""	1	1	"393057"	NA
"694342"	694342	"Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	"393058"	NA
"694454"	694454	"VGNDLIWXFSMOLL-UHFFFAOYSA-N"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	1	1	"393068"	NA
"694456"	694456	"5-acetamido-N-[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]-1-methylpyrazole-3-carboxamide"	"CC(=O)Nc1cc(nn1C)C(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	2	"393071"	NA
"694470"	694470	"ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"CCOC(=O)c1cc2c3ccn(Cc4ccccc4)c3cc(O)c2[nH]1"	0	""	""	1	1	"393085"	NA
"694472"	694472	"Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate"	"CCOC(=O)c1cc2C3=C(CC(=O)c2[nH]1)N(Cc4ccccc4)CC3"	0	""	""	1	1	"393087"	NA
"694475"	694475	"1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone"	"Cc1cc(on1)c2ccc([nH]2)C(=O)C(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	"393091"	NA
"694477"	694477	"DAMPA Ethyl Ester"	"CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	1	1	"393093"	NA
"694478"	694478	"SEOUDLUVPQXRMF-UHFFFAOYSA-N"	"CCCC(C)NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	1	1	"393094"	NA
"694480"	694480	"N-(1-adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	"393096"	NA
"694482"	694482	"N-cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC4CCCCC4"	0	""	""	1	1	"393097"	NA
"694483"	694483	"Isobutoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate"	"CC(C)COC(=O)OC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	2	2	"393098"	NA
"694484"	694484	"4-[n-(4-amino-4-deoxy-n10-methylpteroyl)aminobutanoic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCCCC(=O)O"	0	""	""	2	2	"393099"	NA
"694485"	694485	"benzoic acid, 4-[[(2,4-diaminopteridinyl)-6-methyl] (for..."	"Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)O)cnc2n1"	0	""	""	2	2	"393100"	NA
"694486"	694486	"2,4-Diamino-7-(4-chloroanilino)methylpteridine"	"CN(Cc1cnc2c(N)nc(N)nc2n1)c3ccc(Cl)cc3"	0	""	""	1	1	"393101"	NA
"694488"	694488	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 3-(acetoxym..."	"CC(=O)OCc1cnc2c3ncccc3C(=O)c4nc5ccccc5c1c24"	0	""	""	2	2	"4998422"	NA
"694489"	694489	"benz[b]acridine-12-acetaldehyde, 6,11-dihydro- .alpha.-m..."	"C=C(C=O)c1c2C(=O)c3ccccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	"393103"	NA
"694490"	694490	"benz[b]acridine-6,11-dione, 12,12'-(3,5-pyridinediyl)bis-"	"O=C1c2ccccc2C(=O)c3c1nc4ccccc4c3c5cncc(c5)c6c7C(=O)c8ccccc8C(=O)c7nc9ccccc69"	0	""	""	2	2	"393104"	NA
"694491"	694491	"pyrido[2,3-b]acridine-5,12-dione, 11-(8-oxo-8h-benzo[mn]..."	"O=C1c2cccnc2C(=O)c3c1nc4ccccc4c3c5ccc6c7ccccc7nc8C(=O)c9cccnc9c5c68"	0	""	""	2	2	"393105"	NA
"694493"	694493	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridi..."	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6cccnc6"	0	""	""	2	2	"4532977"	NA
"694494"	694494	"11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one"	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccncc6"	0	""	""	1	1	"4261195"	NA
"694497"	694497	"Methyl 12-methyl-[3]benzoxepino[1,2-b]indole-5-carboxylate"	"COC(=O)C1=COc2c(c3ccccc13)n(C)c4ccccc24"	0	""	""	1	1	"393109"	NA
"694498"	694498	"4-(3-diethylaminopropylamino)-5-methyl-6h-pyridazino[4,5..."	"CCN(CC)CCCNc1nncc2cc3c4ccccc4[nH]c3c(C)c12"	0	""	""	1	1	"393110"	NA
"694500"	694500	"2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate"	"Cc1cc[n+](cc1)[Pt+2]23[n+]4ccccc4c5cccc(c6cccc[n+]26)[n+]35.F[B-](F)(F)F"	0	""	""	3	2	"24202574"	NA
"694501"	694501	"BN-2629"	"COc1cc2C(=O)N3CC(=C)C[C@H]3C=Nc2cc1OCCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC"	0	"Db"	"Clinical trial"	5	2	"393111"	"232931576"
"694509"	694509	"12,13-bis-epi-Eupalmerin"	"C[C@@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O)\C"	0	""	""	2	2	"5469941"	NA
"694520"	694520	"9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid"	"CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O"	0	""	""	1	1	"393120"	NA
"694527"	694527	"N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide"	"CC1(C)CC(=O)c2c(C1)nc3c(ccc4ccccc34)c2c5ccc(NC(=O)CCCCCCCCC(=O)Nc6ccc(cc6)c7c8C(=O)CC(C)(C)Cc8nc9c7ccc%10ccccc9%10)cc5"	0	""	""	1	1	"393129"	NA
"694535"	694535	"11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol"	"OCCCCCCCCCCCOc1ccc(cc1)C2OCC3(CCC=CC3)CO2"	0	""	""	1	1	"393133"	NA
"694536"	694536	"11-[4-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol"	"OCCCCCCCCCCCOc1ccc(\C=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	2	2	"9556330"	NA
"694559"	694559	"2,2-Dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one"	"O=C1NCc2ccccc2S(=O)(=O)n3cccc13"	0	""	""	1	1	"393146"	NA
"694564"	694564	"4-Methoxy-3-[3-[[4-(4-methoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanylquinoline"	"COc1c(Sc2c(SCSc3cnc4ccccc4c3Sc5cnc6ccccc6c5OC)cnc7ccccc27)cnc8ccccc18"	0	""	""	1	1	"393153"	NA
"694565"	694565	"3-[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]quinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanyl-1H-quinolin-4-one"	"O=C1C(=CNc2ccccc12)Sc3c(SCSc4cnc5ccccc5c4SC6=CNc7ccccc7C6=O)cnc8ccccc38"	0	""	""	1	1	"393154"	NA
"694569"	694569	"benzenecarboximidothioic acid, n-[(diethylamino) thioxom..."	"CCN(CC)C(=S)S\C(=N/C(=S)N(CC)CC)\c1ccccc1"	0	NA	NA	2	2	"524462"	NA
"694610"	694610	"2,3-dihydro-2,3-dihydroxy-brefeldin a"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C(O)C(O)C(=O)O1"	0	""	""	2	2	"10757635"	NA
"694611"	694611	"1,13-bis-tert-butyldimethylsilyloxy-2,3,10,11-tetrahydro..."	"C[C@H]1CCCC(O)C(O)[C@@H]2C[C@@H](C[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O1)O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	"24202575"	NA
"694612"	694612	"2,3-dihydro-1,2-syn-2-[carbomethoxymethylsulphonyl]-10,1..."	"COC(=O)CS(=O)(=O)[C@H]1CC(=O)O[C@@H](C)CCCC2OC2[C@@H]3C[C@H](O)C[C@H]3[C@@H]1O"	0	""	""	1	1	"24202576"	NA
"694614"	694614	"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	"Cc1cnc2SN(C(=O)c2c1)c3ccc(Br)cc3"	0	""	""	1	1	"393160"	NA
"694616"	694616	"2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3(2h..."	"[O-][N+](=O)c1cnc2SN(C(=O)c2c1)c3ccc(Br)cc3"	0	""	""	1	1	"393162"	NA
"694619"	694619	"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"Cc1cnc2SN(C(=O)c2c1)c3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	"393165"	NA
"694620"	694620	"5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	"[O-][N+](=O)c1cnc2SN(C(=O)c2c1)c3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	"393166"	NA
"694621"	694621	"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"COc1ccc(cc1)N2Sc3ncccc3C2=O"	0	""	""	1	1	"393167"	NA
"694623"	694623	"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"CCCCc1ccc(cc1)N2Sc3ncccc3C2=O"	0	""	""	1	1	"393169"	NA
"694624"	694624	"2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one"	"CCCCc1ccc(cc1)N2Sc3ncc(cc3C2=O)[N+](=O)[O-]"	0	""	""	1	1	"393170"	NA
"694628"	694628	"5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	"Cc1cnc2c(c1)C(=O)N(c3ccc(cc3)[N+](=O)[O-])S2(=O)=O"	0	""	""	1	1	"393174"	NA
"694631"	694631	"2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	"CCCCc1ccc(cc1)N2C(=O)c3cc(cnc3S2(=O)=O)[N+](=O)[O-]"	0	""	""	1	1	"393177"	NA
"694667"	694667	""	"CN1C(=O)[C@]2(CCC3(OCCO3)C=C2)c4ccccc14"	0	NA	NA	2	1	"524484"	NA
"694673"	694673	"(1'-methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate"	"C[C@@H](NC(=O)OC1CCC2(C=C1)C(=O)N(C)c3ccccc23)c4cccc5ccccc45"	0	""	""	1	1	"5469947"	NA
"694675"	694675	"N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide"	"CN(C(=O)C1=CCCCCC1)c2ccccc2I"	0	""	""	1	1	"393187"	NA
"694679"	694679	"N-benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	"Ic1ccccc1N(Cc2ccccc2)C(=O)C3=CCC4(CC3)OCCO4"	0	""	""	1	1	"393191"	NA
"694680"	694680	"N-(2-iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	"C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c3ccccc3I"	0	""	""	1	1	"393192"	NA
"694681"	694681	"N-[(Z)-(1'-iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C/2\CCC3(C=C2)C(=O)N(I)c4ccccc34"	0	""	""	1	1	"6081340"	NA
"694684"	694684	"2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide"	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)Nc1ccccc1I)OC"	0	""	""	1	1	"5469952"	NA
"694687"	694687	"3-(2,2-Dimethoxyethyl)-1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one"	"COC(CC1(\C=C\O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc12)OC"	0	""	""	1	1	"5469954"	NA
"694688"	694688	"2h-indol-2-one, 1,3-dihydro-3-(2,2-dimethoxyethyl)- 1-[[..."	"COC(CC1(CCNc2ccccc2)C(=O)N(COCC[Si](C)(C)C)c3ccccc13)OC"	0	""	""	2	1	"393200"	NA
"694689"	694689	""	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC"	0	NA	NA	1	1	"524506"	NA
"694691"	694691	""	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)N(COCC[Si](C)(C)C)c1ccccc1I)OC"	0	NA	NA	1	1	"524508"	NA
"694692"	694692	"(2E)-N-(2-iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide"	"CC(C)[Si](OC\C=C(\C(=O)N(C)c1ccccc1I)/C(C)(C)C=C)(C(C)C)C(C)C"	0	""	""	1	1	"5469957"	NA
"694693"	694693	"N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide"	"CC(C)(C=C)C(=C)C(=O)Nc1ccccc1I"	0	""	""	1	1	"393205"	NA
"694698"	694698	"Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate"	"COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)c3c(C)ccc4ccc(C)c2c34"	0	""	""	2	2	"393210"	NA
"694766"	694766	""	"COC1=NC(=C(NC2OC(CO)C(O)C2O)C(=O)N1)N"	0	NA	NA	1	1	"524526"	NA
"694859"	694859	"1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenylcarbamoyl]amino]phenyl]-1-phenylurea"	"NC(=O)N(CCCN(C(=O)Nc1ccc(NC(=O)N(CCCN(CCC#N)C(=O)N)c2ccccc2)cc1)c3ccccc3)CCC#N"	0	""	""	1	1	"393232"	NA
"694909"	694909	"1-[(3S,5R)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione"	"CC(=C[C@@H]1C[C@@H](ON1CCO)N2C=C(C)C(=O)NC2=O)C"	0	""	""	1	1	"393259"	NA
"694947"	694947	"[1-tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium"	"CCOC(=O)c1ccc([nH]1)C(O)C([Ac])C(=O)OC(C)(C)C"	0	""	""	1	1	"393281"	NA
"694950"	694950	"1-Benzyl-3,3-dimethoxypyrrolidin-2-one"	"COC1(CCN(Cc2ccccc2)C1=O)OC"	0	""	""	2	2	"393285"	NA
"694955"	694955	"ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate"	"CCOC(=O)c1ccc(C(=O)\C(=C\2/CCCN2)\C#N)n1C"	0	""	""	1	1	"5469963"	NA
"694956"	694956	""	"CCOC(=O)c1ccc(C(=O)\C(=C\2/CCCN2C)\C(=O)C)n1C"	0	NA	NA	1	1	"524604"	NA
"694957"	694957	"Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(Br)c(c2onc(C)c2Br)n1C"	0	""	""	1	1	"393292"	NA
"694978"	694978	"2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate"	"COC(=O)C1CC2CN(C1C=C2)C(=O)OCc3ccccc3"	0	""	""	1	1	"393313"	NA
"694980"	694980	"N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide"	"COc1cc(N(CC=C)S(=O)(=O)C)c(cc1NC(=O)C)[N+](=O)[O-]"	0	""	""	1	1	"393315"	NA
"694981"	694981	"N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide"	"COc1cc(N(CC=C)S(=O)(=O)C)c(c2c(C)c[nH]c12)[N+](=O)[O-]"	0	""	""	1	1	"393316"	NA
"695020"	695020	"Haliclonacylamine-A"	"C1CCC[C@@H]2CN3CCCC\C=C/CCCC[C@H]4C[C@H](CN(CCCC\C=C/CC1)C4)[C@H]2CC3"	0	""	""	2	2	"5469974"	"179733143"
"695040"	695040	"1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane"	"CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	2	1	"5469976"	NA
"695041"	695041	"3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2cccc(Br)c2"	0	""	""	2	2	"393333"	NA
"695044"	695044	"N'-Salicyloyl-2-thiophenecarbohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2cccs2"	0	""	""	1	1	"393336"	NA
"695046"	695046	"2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2ccccc2Cl"	0	""	""	1	1	"393338"	NA
"695053"	695053	"STK489894"	"Clc1cccc(NC(=S)Nc2ccccn2)c1"	0	""	""	1	1	"3005366"	NA
"695055"	695055	"1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea"	"COc1ccccc1NC(=S)Nc2cccc(C)n2"	0	""	""	1	1	"3001925"	NA
"695057"	695057	"1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea"	"Cc1ccnc(NC(=S)Nc2ccccc2Cl)c1"	0	""	""	1	1	"3005369"	NA
"695059"	695059	"STK464917"	"Cc1ccnc(NC(=S)Nc2cccc(Cl)c2)c1"	0	""	""	1	1	"3005371"	NA
"695061"	695061	"N-(4,6-Dimethyl-2-pyridinyl)-N'-(2-methoxyphenyl)thiourea"	"COc1ccccc1NC(=S)Nc2cc(C)cc(C)n2"	0	""	""	2	1	"3005373"	NA
"695062"	695062	"N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	"Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2)c1"	0	""	""	2	1	"3005374"	NA
"695063"	695063	"N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	"Cc1cc(C)nc(NC(=S)Nc2ccc(Cl)cc2)c1"	0	""	""	1	1	"3005375"	NA
"695065"	695065	"1-(4-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	2	"9571647"	NA
"695067"	695067	"EN300-03848"	"CN1N(C(=O)C(=C1C)NC(=S)NN)c2ccccc2"	0	""	""	1	1	"722817"	NA
"695152"	695152	"4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate"	"CC(=O)OCCCCN1C(=O)CSc2ccccc12"	0	""	""	1	1	"393356"	NA
"695154"	695154	"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol"	"Cc1c2cccc2c(OCCO)cc3c4ccccc4[nH]c13"	0	""	""	2	2	"393358"	NA
"695163"	695163	"LS-123812"	"COc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	2	1	"5469980"	NA
"695164"	695164	"2-propen-1-one, 1-(2-benzimidazolyl)-3-(4-nitrophenyl)-"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	2	2	"5469981"	NA
"695170"	695170	"[?]triamine"	"Nc1cc2Oc3cc(N)cc4Oc5cc(N)cc6Oc(c1)c2C(c56)c34"	0	""	""	2	1	"393363"	NA
"695172"	695172	"(1S)-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde"	"C[C@@]12c3c4Oc5ccc(C=O)c(Oc6c(C=O)ccc(Oc3c(C=O)cc4)c16)c25"	0	""	""	1	1	"393365"	NA
"695174"	695174	"N-[11,17-Bis[2-(1,3-dioxoisoindol-2-yl)ethyl-(4-methylphenyl)sulfonylamino]-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CCN2C(=O)c3ccccc3C2=O)c4cc5Oc6cc(cc7Oc8cc(cc9Oc(c4)c5C(C)(c89)c67)N(CCN%10C(=O)c%11ccccc%11C%10=O)S(=O)(=O)c%12ccc(C)cc%12)N(CCN%13C(=O)c%14ccccc%14C%13=O)S(=O)(=O)c%15ccc(C)cc%15"	0	""	""	1	1	"16129828"	NA
"695175"	695175	"2,3-dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide"	"Cc1ccc(cc1)S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c3cc4Oc5cccc6Oc7cccc8Oc(c3)c4C(C)(c78)c56"	0	""	""	1	1	"393367"	NA
"695176"	695176	"N-(2-aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CCN)c2cc3Oc4cccc5Oc6cccc7Oc(c2)c3C(c67)c45"	0	""	""	1	1	"393368"	NA
"695177"	695177	"acetic acid, 2-[(12c-methyl-12ch-4,8,12-trioxadi-benzo[c..."	"COC(=O)C(=O)Nc1cc2Oc3cccc4Oc5cccc6Oc(c1)c2C(C)(c56)c34"	0	""	""	2	2	"393369"	NA
"695179"	695179	"Trimethyl 8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-tricarboxylate"	"COC(=O)c1cc2Oc3cc(cc4Oc5cc(cc6Oc(c1)c2C(c56)c34)C(=O)OC)C(=O)OC"	0	""	""	2	2	"393371"	NA
"695180"	695180	""	"C[C@]12C3C4Oc5cc(NC(=O)C(=O)NCc6ccc(nc6)c7ccccn7)cc(Oc8cc(NC(=O)C(=O)NCc9ccc(nc9)c%10ccccn%10)cc(OC3=CC(=C4)NC(=O)C(=O)NCc%11ccc(nc%11)c%12ccccn%12)c18)c25"	0	NA	NA	1	1	"524690"	NA
"695214"	695214	"3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid"	"CC(C)[Si](OC12CCC(CC1O)CC2C(=O)O)(C(C)C)C(C)C"	0	""	""	1	1	"393381"	NA
"695215"	695215	"5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol"	"CC(C)[Si](OC12CCC(CC1O)CC2CO)(C(C)C)C(C)C"	0	""	""	1	1	"393382"	NA
"695228"	695228	""	"CC(C)[Si](O[C@]12CC[C@H](C[C@H]1NC(=O)OCC(Cl)(Cl)Cl)[C@H](CC=C)C2=O)(C(C)C)C(C)C"	0	NA	NA	1	1	"524716"	NA
"695251"	695251	"6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile"	"Cc1c(C#N)c2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	"393408"	NA
"695264"	695264	"AE-413/36101002"	"Nc1ccc(Sc2ccc(N)c(c2)C#N)cc1C#N"	0	""	""	1	1	"393410"	NA
"695265"	695265	"5,5'-Thiobis(2-nitrobenzoic acid)"	"OC(=O)c1cc(Sc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]"	0	""	""	2	1	"393411"	NA
"695267"	695267	"2,4-Quinazolinediamine, 6,6'-thiobis-"	"Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1"	0	""	""	2	1	"393413"	NA
"695301"	695301	"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile"	"O=C1N(C(=N/C/1=C\c2ccc(cc2)N(CCC#N)CCC#N)c3ccccc3)c4ccccc4"	0	""	""	1	1	"5469989"	NA
"695302"	695302	"3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"Clc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	"5469990"	NA
"695304"	695304	"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile"	"COc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	"5469992"	NA
"695306"	695306	"4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid"	"OC(=O)c1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	"5469994"	NA
"695313"	695313	"Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccccc2nc1Oc3ccc(F)cc3"	0	""	""	1	1	"393426"	NA
"695315"	695315	"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccc(cc2nc1Oc3cc(OC)c(OC)c(OC)c3)C(F)(F)F"	0	""	""	1	1	"393428"	NA
"695317"	695317	"Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccccc2nc1Oc3ccc(cc3)C(=O)OC"	0	""	""	1	1	"393430"	NA
"695323"	695323	"3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine"	"COc1cc(OC)cc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)c1"	0	""	""	1	1	"393436"	NA
"695325"	695325	"1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea"	"Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)n1"	0	""	""	1	1	"3005381"	NA
"695329"	695329	"1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea"	"[O-][N+](=O)c1ccc(NC(=S)Nc2ccccn2)cc1"	0	""	""	2	2	"3005383"	NA
"695331"	695331	"1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2ccc(cc2)[N+](=O)[O-])c3ccccc3"	0	""	""	1	1	"9571650"	NA
"695333"	695333	"1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2cccc(Cl)c2)c3ccccc3"	0	""	""	1	1	"9571652"	NA
"695368"	695368	""	"CC(=O)NCCC1CN(C(=O)\C=C/I)c2ccccc12"	0	NA	NA	2	1	"524786"	NA
"695369"	695369	""	"CC(=O)NCCC1CN(C(=O)\C=C/C#C[Si](C)(C)C)c2ccccc12"	0	NA	NA	1	1	"524787"	NA
"695394"	695394	"asimicinone"	"CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCCCCCC[C@@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	3	2	"393461"	NA
"695395"	695395	"Trilobacinone"	"CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCCCCCC[C@@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	2	2	"393462"	NA
"695399"	695399	"Longimicin A"	"CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O"	0	""	""	3	2	"393466"	NA
"695400"	695400	"Longimicin D"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CC[C@H](O)CCCCCCCC3=C[C@H](C)OC3=O"	0	""	""	1	1	"393467"	NA
"695404"	695404	"annonacin a"	"CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O"	0	""	""	2	2	"393471"	NA
"695405"	695405	"muricatetrocin b"	"CCCCCCC(O)C(O)CCC(O)C1CCC(CCCCC(O)CC2=CC(C)OC2=O)O1"	0	""	""	2	2	"393472"	NA
"695408"	695408	"Annoglaucin"	"CCCCCCCCCCC(O)C1CCC(O1)C2CCC(O2)C(O)CCCCC(O)CCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	3	2	"393475"	NA
"695409"	695409	"squamone"	"CCCCCCCCCCCCC(O)[C@H]1CC[C@@H](O1)C(O)CCCCCC(=O)CCCCC2CC(C(=O)C)C(=O)O2"	0	""	""	4	2	"393476"	NA
"695416"	695416	"(bipyridyl)dibenzyltindichloride"	"[ClH-][Sn+4]1([ClH-])([CH2-]c2ccccc2)([CH2-]c3ccccc3)[n+]4ccccc4c5cccc[n+]15"	0	NA	NA	3	2	"582378"	NA
"695417"	695417	"bis(indole)dibenzyltindichloride"	"[Cl-][Sn+4]([Cl-])(n1ccc2ccccc12)(n3ccc4ccccc34)([CH2-]c5ccccc5)[CH2-]c6ccccc6"	0	NA	NA	2	1	"582379"	NA
"695418"	695418	"(bipyridyl)dibenzyltindi(isothiocyanate)"	"S=C=[NH-][Sn+4]1([CH2-]c2ccccc2)([CH2-]c3ccccc3)([NH-]=C=S)[n+]4ccccc4c5cccc[n+]15"	0	NA	NA	2	1	"582380"	NA
"695571"	695571	""	"Cc1sc(C)c2C(=O)CC(N)c12"	0	NA	NA	2	2	"524822"	NA
"695572"	695572	""	"NC1CC(=O)c2cc(Cl)sc12"	0	NA	NA	1	1	"524823"	NA
"695583"	695583	"(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane"	"C[C@@H]1CC[C@H]2C(C)C(OC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H](C3C)[C@@]46O5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27O8"	0	""	""	1	1	"393525"	NA
"695585"	695585	"(4-nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccccc46"	0	""	""	2	2	"393527"	NA
"695586"	695586	""	"[Cl-].[Cl-].Cc1cccc2c(N)c3cccc(C(=O)NCC[N+]4(Cc5ccc(cc5)[N+](=O)[O-])CCOCC4)c3nc12"	0	NA	NA	2	2	"524837"	NA
"695587"	695587	""	"[Cl-].[Cl-].COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc4ccc(cc4)[N+](=O)[O-]"	0	NA	NA	1	1	"524838"	NA
"695588"	695588	"Amino MMI-S02 CI"	"COc1ccc2[nH]c(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	"393532"	NA
"695590"	695590	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc5c(cc(cc5[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-])c6ccccc46"	0	NA	NA	2	2	"524841"	NA
"695591"	695591	"1,1'-(4-methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6..."	"CN(CCC(=O)N1CC(CCl)c2ccc(cc12)[N+](=O)[O-])CCC(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	"393536"	NA
"695592"	695592	"Amino MBF-Cl"	"COc1ccc2oc(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	"393538"	NA
"695605"	695605	"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione"	"CN(C)C1=C(C2OC(CO)C(O)C2O)C(=O)C1=O"	0	""	""	2	1	"393543"	NA
"695628"	695628	"Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate"	"CCOC(=O)CC(=O)Nc1cccc2nc[nH]c12"	0	""	""	1	1	"393558"	NA
"695636"	695636	"1-nonyl-3-(2',6'-dimethyl-3',5'-diethoxycarbonyl-1',4'-d..."	"CCCCCCCCC[n+]1cccc(c1)C2C(=C(C)NC(=C2C(=O)OCC)C)C(=O)OCC"	0	""	""	2	2	"393566"	NA
"695638"	695638	"1-adamantyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxy..."	"Cc1[nH]c(c(O)c1C(=O)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	"393569"	NA
"695643"	695643	"encyclan"	"CN1C2OC(=C(C2Nc3ccccc13)C(=O)OC4CC5CCC4(C)C5(C)C)C"	0	""	""	2	1	"378680"	"136471324"
"695645"	695645	"3-morpholinopropyl[?]one"	"O=C1N(CCCN2CCOCC2)N=C3CSc4c(ccc5ccccc45)N13"	0	""	""	1	1	"393575"	NA
"695646"	695646	"13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one"	"Clc1cccc(c1)N2CCN(CCCN3N=C4CSc5c(ccc6ccccc56)N4C3=O)CC2"	0	""	""	1	1	"393576"	NA
"695649"	695649	""	"NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(S)OC3CC(OC3CO)N4C=CC(=NC4=O)N)O2"	0	NA	NA	1	1	"524885"	NA
"695650"	695650	"13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5ccccc5CSP678N9CCN6CCN7CCN8CC9"	0	""	""	1	1	"393579"	NA
"695651"	695651	"13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5cccc(CSP678N9CCN6CCN7CCN8CC9)c5"	0	""	""	1	1	"393580"	NA
"695652"	695652	"13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5ccc(CSP678N9CCN6CCN7CCN8CC9)cc5"	0	""	""	1	1	"393581"	NA
"695655"	695655	"4,6-Dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-ylpyrimidine"	"Clc1ccc(cc1)C(Cc2cccc(Cl)c2)c3c(Cl)nc(nc3Cl)N4CCNCC4"	0	""	""	1	1	"393584"	NA
"695659"	695659	"N,N-diethyl-thioxo-[?]amine"	"CCN(CC)P1(=S)Oc2ccc3ccccc3c2c4c(O1)ccc5ccccc45"	0	""	""	1	1	"393588"	NA
"695672"	695672	"AK-60479"	"CNC(=O)C1OC(C(O)C1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23"	0	""	""	1	1	"393593"	NA
"695673"	695673	"Furcelleran"	"CCOC(=O)C1=C(C)NC(=C(C1C#Cc2ccccc2)C(=O)OCc3ccccc3)c4ccccc4"	0	""	""	1	1	"393594"	NA
"695674"	695674	"MRS 1220"	"Clc1ccc2nc(NC(=O)Cc3ccccc3)n4nc(nc4c2c1)c5occc5"	0	""	""	2	2	"393595"	NA
"695782"	695782	"sjl 778"	"NCCCCC1[NH2+][Pt+2]([ClH-])([ClH-])[O-]C1=O"	0	NA	NA	1	1	"582384"	NA
"695787"	695787	"[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] acetate"	"CO[C@]12CC3C[C@H]4CC5CC=C6C[C@H](CC[C@]6(OC(=O)C)C5C[C@]4(C)C3(C7C[C@H]8[C@@H]9CC=C%10C[C@H](CC[C@]%10(OC(=O)C)[C@H]9CC[C@]8(C)C17)OC(=O)C)C(=O)C2)OC(=O)C"	0	""	""	1	1	"393598"	NA
"695788"	695788	"n(sup .alpha.)-[4-[(2,4-diamino-5-methylpyrido[2,3-d] py..."	"Cc1c(CNc2ccc(cc2)C(=O)NC(CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cnc4nc(N)nc(N)c14"	0	""	""	3	3	"393599"	NA
"695794"	695794	"carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl] pr..."	"Cc1c(c2ccc(O)cc2)n(CCCCCCNCCOC(=O)NCCCc3ccc(cc3)N(CCCl)CCCl)c4ccc(O)cc14"	0	""	""	1	1	"393600"	NA
"695798"	695798	"7h-dibenzo[a,c]cyclohepten-5-ol, 5,6-dihydro- 9,10,11-tr..."	"COc1cc2CCC(O)c3cc(SC)ccc3c2c(OC)c1OC"	0	""	""	2	2	"393604"	NA
"695799"	695799	"7h-dibenzo[a,c]cyclohepten-5(6h)-one, 9,10,11- trimethox..."	"COc1cc2CCC(=O)c3cc(SC)ccc3c2c(OC)c1OC"	0	""	""	2	2	"393605"	NA
"695801"	695801	"2,11-diaza-5,8-dioxadodecane, 1,12-bis(6-methoxy- 2-naph..."	"COc1ccc2cc(CNCCOCCOCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	3	3	"393608"	NA
"695804"	695804	"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(CCCCc3ccccc3)C2)n1"	0	""	""	1	1	"393613"	NA
"695835"	695835	"9,19-cycloart-23-ene-3.beta.,25-diol"	"C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C"	0	NA	NA	1	1	"524928"	"14599485"
"695840"	695840	"1h-quinoxalin-2-one, 3-(bromomethyl)-7-(trifluoromethyl)-"	"FC(F)(F)c1ccc2N=C(CBr)C(=O)Nc2c1"	0	""	""	4	2	"393632"	NA
"695847"	695847	"15-(3,4,5-Trimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-2,4,7,9(16)-tetraen-13-one"	"COc1cc(cc(OC)c1OC)C2C3C=CC=C4CC=CC(=C34)C5CCC(=O)N25"	0	""	""	1	1	"393636"	NA
"695858"	695858	"9-Hydroxy-7,8-dimethoxy-5-naphthalen-1-yl-1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-3(2h)-one"	"COc1cc2C(N3C(CCC3=O)Cc2c(O)c1OC)c4cccc5ccccc45"	0	""	""	1	1	"393647"	NA
"695859"	695859	"2,3-dihydro-1,2-syn-2-[n,n-dimethylaminoethylsulfenyl]-b..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)CCN(C)C"	0	""	""	2	2	"24202582"	NA
"695913"	695913	"5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione"	"OCc1csc2C(=O)c3sccc3C(=O)c12"	0	""	""	2	2	"393648"	NA
"695914"	695914	"benzo[1,2-b:4,5-b']dithiophene-4,8-diol, diacetate"	"CC(=O)Oc1c2ccsc2c(OC(=O)C)c3ccsc13"	0	""	""	2	2	"393649"	NA
"695915"	695915	"KUC105261N"	"[O-][N+](=O)c1ccc(NC(=O)Nn2cnnc2)cc1"	0	""	""	1	1	"393650"	NA
"695930"	695930	"XFYKIVIHHBDZRA-UHFFFAOYSA-N"	"CCOC(=O)c1cc(Sc2ccc(N)c(c2)C(=O)OCC)ccc1N"	0	""	""	1	1	"393662"	NA
"695934"	695934	"1,3-propanediamine, n'-(3-aminopropyl)-n-(9-methoxy- 5,1..."	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1"	0	NA	NA	2	2	"524966"	NA
"695935"	695935	""	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1"	0	NA	NA	2	2	"524967"	NA
"695936"	695936	"methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)c4c(C)c3c2c1"	0	""	""	2	1	"438992"	NA
"695937"	695937	"9-acridinone, 1-[[[[(9-methoxy-5,11-dimethyl- 6h-pyrido[..."	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc(c6Nc7ccccc7C(=O)c56)[N+](=O)[O-])c4c(C)c3c2c1"	0	""	""	2	2	"438994"	NA
"695938"	695938	"methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6ncn7c8ccccc8C(=O)c5c67)c4c(C)c3c2c1"	0	""	""	2	2	"438996"	NA
"695939"	695939	""	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)CCCNc4ccc5ncn6c7ccccc7C(=O)c4c56)c2c1"	0	NA	NA	2	2	"582388"	NA
"695940"	695940	""	"NCCCN1CCN(CCCNc2ccc3ncn4c5ccccc5C(=O)c2c34)CC1"	0	NA	NA	1	1	"582389"	NA
"695941"	695941	"6h-imidazo[4,5,1-de]acridin-6-one, 5-[3-[[3-[[5-nitro-1,..."	"CN(CCCNc1ccc2ncn3c4ccccc4C(=O)c1c23)CCCN5C(=O)c6cccc7cc(cc(C5=O)c67)[N+](=O)[O-]"	0	""	""	2	2	"439002"	NA
"695943"	695943	"6h-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[(1,2-et..."	"O=C1c2ccccc2n3nnc4ccc(NCCCNCCNCCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)c1c34"	0	""	""	2	2	"439006"	NA
"695944"	695944	""	"NCCCN1CCN(CCCNc2ccc3nnn4c5ccccc5C(=O)c2c34)CC1"	0	NA	NA	1	1	"582393"	NA
"695945"	695945	"10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN4CCN(CCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)CC4)c2c1"	0	""	""	2	2	"439010"	NA
"695946"	695946	"dab389 il-6, first 386 amino acid residues of diptheria ..."	NA	0	NA	NA	3	2	"524968"	NA
"696044"	696044	"ethyl 3-nitroanthranilate"	"CCOC(=O)c1cccc(c1N)[N+](=O)[O-]"	0	""	""	1	1	"393670"	"61063114"
"696049"	696049	"3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	"O=C(Nc1sccc1S(=O)(=O)c2ccccc2)c3cccnc3"	0	""	""	2	2	"393673"	NA
"696051"	696051	"Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-"	"CC(=O)Nc1sc(Br)cc1S(=O)(=O)c2ccc(Cl)cc2"	0	""	""	1	1	"393675"	NA
"696052"	696052	"N-[3-(4-chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide"	"CC(=O)Nc1sc(cc1S(=O)(=O)c2ccc(Cl)cc2)[N+](=O)[O-]"	0	""	""	2	1	"393676"	NA
"696057"	696057	"4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine"	"Cc1sc(N)c(c1C)S(=O)(=O)c2ccccc2"	0	""	""	1	1	"393681"	NA
"696073"	696073	"(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"393684"	NA
"696074"	696074	"(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"393685"	NA
"696075"	696075	"(2R)-2-[[(2S)-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide"	"C[C@H](NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"393686"	NA
"696077"	696077	"(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"6712544"	NA
"696078"	696078	"(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"393689"	NA
"696085"	696085	"Pyroxamide"	"ONC(=O)CCCCCCC(=O)Nc1cccnc1"	0	""	""	2	2	"4996"	NA
"696122"	696122	"Mimuscopic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4=C5C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@]5(C)CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	""	""	1	1	"6712545"	NA
"696124"	696124	"1h-indol-6-amine, 3-(chloromethyl)-2,3-dihydro- 1-[(5-me..."	"COc1ccc2oc(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	3	3	"393691"	NA
"696125"	696125	"OFYWATWIUCJIGO-UHFFFAOYSA-N"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	1	"393692"	NA
"696126"	696126	"MVIAFWFYXRNKDS-UHFFFAOYSA-N"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4c3cc(N)c5ccccc45"	0	""	""	2	1	"393693"	NA
"696127"	696127	"[(1R)-5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3C[C@H](CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	1	"6712547"	NA
"696128"	696128	"1h-benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro- 3..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3C[C@@H](CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	1	"6712548"	NA
"696129"	696129	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](C)(C)Cc6ccc([N+](=O)[O-])n6C"	0	NA	NA	2	2	"525001"	NA
"696134"	696134	"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate"	"CCC1OC2C3C(=C4C(OC(=O)c5ccccc5)C(C)(CC)C(C)(O)OC4=C2CC=C(C)C)OC(=O)C=C13"	0	""	""	1	1	"393700"	NA
"696136"	696136	"3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid"	"COc1cc(OC)cc(Oc2nc3ccccc3nc2C(=O)O)c1"	0	""	""	1	1	"393702"	NA
"696154"	696154	"Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid"	"OS(=O)(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	"54608881"	NA
"696227"	696227	"6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone"	"O=C1CNc2cc(ccc2N1)N3CCOCC3"	0	""	""	1	1	"393714"	NA
"696236"	696236	"[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphoryl]oxymethyl]oxolan-3-yl] benzoate"	"CC(=O)OCC1OC(OCCCOP(=O)(OCCC#N)OCC2OC(C(OC(=O)c3ccccc3)C2OC(=O)c4ccccc4)n5cnc6c(N)ncnc56)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	1	"393718"	NA
"696237"	696237	""	"COC(OC)[C@@H]1OC[C@@H]([C@H]1O)n2cnc3c(N)ncnc23"	0	NA	NA	1	1	"525024"	NA
"696242"	696242	"1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol"	"COC(OC)C(O)C1OC=CC1n2cnc3c(N)ncnc23"	0	""	""	1	1	"393724"	NA
"696248"	696248	"5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione"	"OCC1OCC(C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	"393730"	NA
"696251"	696251	"2-propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-phenyl-"	"COc1ncc(C#CC(=O)c2ccccc2)c(OC)n1"	0	""	""	2	2	"393732"	NA
"696252"	696252	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one"	"COc1ccc(cc1)C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	"393733"	NA
"696253"	696253	"2-propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-(3-met..."	"COc1cccc(c1)C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	"393734"	NA
"696254"	696254	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one"	"COc1ccccc1C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	"393735"	NA
"696255"	696255	""	"C[C@@]1(Cl)C[C@@](C)(Br)C(C[C@@H]1Br)\C=C\Cl"	0	NA	NA	1	1	"525042"	NA
"696257"	696257	"2,3-dihydro-1,2-syn-2-[s-(l)-cysteinylsulfoxide-]-brefel..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)C[C@@H](N)C(=O)O"	0	""	""	2	2	"24202584"	NA
"696259"	696259	"1h-tetrazole-5-butanoic acid, alpha.-[[4-[[(1,4-dihydro-..."	"CC1=NC(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCc4nnn[nH]4)C(=O)O)c(F)c3)c(C)cc2N1"	0	""	""	2	2	"135430970"	"153537736"
"696266"	696266	"N-carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide"	"COc1ccc(cc1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(=O)N"	0	""	""	1	1	"393741"	NA
"696364"	696364	""	"Cc1ccc(cc1)S(=O)C[C@](NC(=O)OCc2ccccc2)(Sc3ccccc3)C(F)F"	0	NA	NA	1	1	"525057"	NA
"696464"	696464	"methyl (E)-3-[2-oxo-3-[2-(2-pyridyl)ethyl]oxazolo[4,5-b]pyridin-6-yl]prop-2-enoate"	"COC(=O)\C=C\c1cnc2N(CCc3ccccn3)C(=O)Oc2c1"	0	""	""	1	1	"5470017"	NA
"696468"	696468	""	"CSc1scc2CCC\C(=N/NC(=O)N)\c12"	0	NA	NA	1	1	"525080"	NA
"696469"	696469	"Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.36.24]undecan-11-yl)acetate"	"COC(=O)CN1SC2(SC13C(C)(C)C(=O)C3(C)C)C(C)(C)C(=O)C2(C)C"	0	""	""	1	1	"393782"	NA
"696470"	696470	"1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione"	"CC1(C)C(=O)C(C)(C)C12SSC3(S2)C(C)(C)C(=O)C3(C)C"	0	""	""	1	1	"393783"	NA
"696558"	696558	"n-(4-amino-4-deoxy-n10-methypteroyl)-d,l-homocysteic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCS(=O)(=O)O)C(=O)O"	0	""	""	2	2	"393791"	NA
"696559"	696559	"N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O"	0	""	""	2	2	"6712549"	NA
"696562"	696562	"3-[n-(4-amino-4-deoxy-n10-methylpteroyl)amino]propane-su..."	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCCCS(=O)(=O)O"	0	""	""	1	1	"393794"	NA
"696563"	696563	"n-(4-amino-4-deoxy-n10-methylpteroyl)aminomethanesulfoni..."	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCS(=O)(=O)O"	0	""	""	1	1	"393795"	NA
"696565"	696565	"5-Guanidino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]pentanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CCCNC(=N)N)C(=O)O)c13"	0	""	""	1	1	"393797"	NA
"696566"	696566	"5-Amino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]-5-oxo-pentanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CCC(=O)N)C(=O)O)c13"	0	""	""	1	1	"393798"	NA
"696567"	696567	"2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CS)C(=O)O)c13"	0	""	""	1	1	"393799"	NA
"696570"	696570	"5-Guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid; methyl sulfate"	"C[n+]1c2ccccc2c(C(=O)NC(CCCNC(=N)N)C(=O)O)c3ccccc13"	0	""	""	1	1	"393804"	NA
"696592"	696592	"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol"	"OC(c1ccc(cc1)c2ccccc2)C(F)(F)c3oc4ccccc4n3"	0	""	""	2	1	"393813"	NA
"696640"	696640	"4',5'-dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione"	"Cc1ccc2C(=O)C3(Cc2c1C)Cc4c5CCCc5ccc4C3=O"	0	""	""	1	1	"393819"	NA
"696641"	696641	"5',6'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1cc2CC3(Cc4cc5CCCc5cc4C3=O)C(=O)c2cc1C"	0	""	""	1	1	"393820"	NA
"696642"	696642	"6',7'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4cc5CCCc5cc4C3=O)C(=O)c2c1C"	0	""	""	1	1	"393821"	NA
"696643"	696643	"6',7'-dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4ccc5CCCc5c4C3=O)C(=O)c2c1C"	0	""	""	1	1	"393822"	NA
"696646"	696646	"5',6,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1cc(C)c2C(=O)C3(Cc4ccc(C)c(C)c4C3=O)Cc2c1"	0	""	""	1	1	"393825"	NA
"696648"	696648	"5,5',6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1cc(C)c2C(=O)C3(Cc4cc(C)c(C)cc4C3=O)Cc2c1"	0	""	""	1	1	"393827"	NA
"696649"	696649	"methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4ccc5ccccc5c4C3=O"	0	""	""	1	1	"393828"	NA
"696652"	696652	"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione"	"O=C1c2ccccc2CC13Cc4ccc5ccccc5c4C3=O"	0	""	""	2	2	"393831"	NA
"696656"	696656	"methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate"	"COC(=O)\C=C\c1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3=O"	0	""	""	1	1	"5470022"	NA
"696660"	696660	"(6r,6s)-2,4-diamino-6-(3,4-dimethoxybenzyl)-5,6,7,8-tetr..."	"COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC"	0	""	""	2	2	"484960"	NA
"696661"	696661	"(6r,6s)-2,4-diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-t..."	"COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC"	0	""	""	2	2	"484961"	NA
"696662"	696662	"(6r,6s)-2,4-diamino-6-(2,5-dimethoxybenzyl)-5,6,7,8-tetr..."	"COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1"	0	""	""	2	2	"484959"	NA
"696819"	696819	"Semaxanib"	"Cc1cc(C)c(\C=C\2/C(=O)Nc3ccccc23)[nH]1"	0	"PK:FLT3"	""	2	2	"5329098"	NA
"696843"	696843	"2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"	"NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1"	0	""	""	2	2	"393882"	NA
"696844"	696844	"XLXMYMNBHSMTEB-UHFFFAOYSA-N"	"O=C(OCc1ccccc1)N2CCNCCN(CCNCC2)C(=O)OCc3ccccc3"	0	""	""	1	1	"393883"	NA
"696847"	696847	"2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid"	"OC(=O)CN1CCN2CCCCCN(CCN(CC(=O)O)CC2)CC1"	0	""	""	1	1	"393887"	NA
"696849"	696849	"1,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid"	"OC(=O)CN1CCN2CCCCCCCCN(CCN(CC(=O)O)CC2)CC1"	0	""	""	1	1	"393889"	NA
"696853"	696853	"1,4,7,10-tetraazacyclododecane-1,7-diacetic acid, 4,10-b..."	"CC(C)(C)OC(=O)CN1CCN(CC(=O)N2CCN(CC2)C(=O)OCc3ccccc3)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N4CCN(CC4)C(=O)OCc5ccccc5)CC1"	0	""	""	2	2	"393893"	NA
"696857"	696857	"2-(1,4,7-Triazonan-1-yl)acetic acid"	"OC(=O)CN1CCNCCNCC1"	0	""	""	1	1	"393897"	NA
"696859"	696859	"1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane"	"CCOP(=O)(CN1CCNCCN(CP(=O)(OCC)OCC)CC1)OCC"	0	""	""	2	1	"393899"	NA
"696860"	696860	"1h-1,4,7-triazonine-1,4,7-triacetic acid, octahydro-"	"OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1"	0	""	""	3	2	"124326"	NA
"696861"	696861	"[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid"	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCNCC1"	0	""	""	2	1	"393900"	NA
"696862"	696862	"1h-1,4,7-triazonine-1,4-diacetic acid, octahydro-"	"OC(=O)CN1CCNCCN(CC(=O)O)CC1"	0	""	""	2	2	"393901"	NA
"696863"	696863	"NO2A(tBu)"	"CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CC1"	0	""	""	1	1	"393902"	NA
"696864"	696864	"IDAAYIXNILONEM-UHFFFAOYSA-N"	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CC1"	0	""	""	2	2	"393903"	NA
"696867"	696867	"1h-1,4,7-triazonine-1-acetic acid, 4-[(dihydroxyphosphor..."	"OC(=O)CN1CCNCCN(CP(=O)(O)O)CC1"	0	""	""	2	2	"393906"	NA
"696881"	696881	"9-aminocaptothecin lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	NA	NA	3	2	"440800528"	NA
"696884"	696884	"3-(2-chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride"	"CCCCCCCCCCCCCCCCCCOc1ccc(\C=C\C2=[N+](CCCl)CCO2)cc1"	0	""	""	1	1	"5470036"	NA
"696885"	696885	"1-(2-Naphthylmethyl)-4-[1-(2-naphthylmethyl)-4-piperidyl]piperidine hydrochloride"	"C(N1CCC(CC1)C2CCN(Cc3ccc4ccccc4c3)CC2)c5ccc6ccccc6c5"	0	""	""	3	2	"393913"	NA
"696890"	696890	""	"N#CC1(C#N)[C@@H]2CCC=C(Sc3ccccc3)[C@H]12"	0	NA	NA	1	1	"525214"	NA
"696891"	696891	"propanedinitrile,[2,3-bis(phenylthio)-3-cyclohexen-1-yl]..."	"N#CC(C#N)[C@@H]1CCC=C(Sc2ccccc2)[C@H]1Sc3ccccc3"	0	NA	NA	2	1	"525215"	NA
"696893"	696893	""	"CC(C)N1CCN(Cc2cc(C)cc(C)c2O)CCN(CC1)C(C)C"	0	NA	NA	1	1	"525217"	NA
"696899"	696899	"4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N2CCNNC2=O"	0	""	""	1	1	"393927"	NA
"696905"	696905	"Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide"	"Cc1cc(c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n3ccnc3Oc4ccccc4)cc1Cl)S(=O)(=O)n5ccnc5Oc6ccccc6"	0	""	""	1	1	"393933"	NA
"696906"	696906	"Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide"	"Cc1cc(c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n3ccnc3Oc4cccc(Cl)c4)cc1Cl)S(=O)(=O)n5ccnc5Oc6cccc(Cl)c6"	0	""	""	2	1	"393934"	NA
"696907"	696907	"4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3cccc4cccc(N2)c34"	0	""	""	1	1	"135465540"	NA
"696911"	696911	"2-chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide"	"Sc1cc(Cl)c(cc1S(=O)(=O)NC2=NNC(=O)N2c3ccccc3)C(=O)Nc4ccc(Cl)cc4"	0	""	""	1	1	"393939"	NA
"696916"	696916	"AO-267/15176074"	"CC1=NN(c2nc(N)nc(CBr)n2)C(C)(C)C1"	0	""	""	2	2	"393944"	NA
"696921"	696921	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C\c3oc(cc3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	2	2	"5832532"	NA
"696923"	696923	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile"	"CCN(CC)c1ccc(\C=C(/C#N)\c2nc(N)nc(n2)N3N=C(C)CC3(C)C)cc1"	0	""	""	2	1	"6175750"	NA
"696990"	696990	"[3-(Chloromethyl)indolin-1-yl]-(5,6,7-trimethoxy-1h-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccccc34"	0	""	""	2	2	"393954"	NA
"696991"	696991	"nitro-mbf-cl"	"COc1ccc2oc(cc2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	"393955"	NA
"696992"	696992	"Nitro MBF-SO2-Cl"	"COc1ccc2oc(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	2	2	"393956"	NA
"696993"	696993	"Nitro MMI-Cl"	"COc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	2	1	"393957"	NA
"697034"	697034	"4-Amino-6,7-dimethyl-1,3-dioxo-2-((phenylsulfonyl)oxy)-5-isoindolinecarbonitrile"	"Cc1c(C)c2C(=O)N(OS(=O)(=O)c3ccccc3)C(=O)c2c(N)c1C#N"	0	""	""	1	1	"393962"	NA
"697037"	697037	"4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile"	"Cc1c(C)c2C(=O)N(Nc3ccccc3)C(=O)c2c(N)c1C#N"	0	""	""	1	1	"393965"	NA
"697040"	697040	"(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)ON2C(=O)c3c(N)c(C#N)c(c4ccccc4)c(c5ccccc5)c3C2=O"	0	""	""	1	1	"393968"	NA
"697045"	697045	"4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	"Nc1c(C#N)c(c2ccccc2)c(c3ccccc3)c4C(=O)N(Nc5ccccc5)C(=O)c14"	0	""	""	1	1	"393973"	NA
"697047"	697047	"4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	"COc1ccc(\C=N\N2C(=O)c3c(N)c(C#N)c(c4ccccc4)c(c5ccccc5)c3C2=O)cc1"	0	""	""	1	1	"9578738"	NA
"697066"	697066	""	"C1CCN(C1)c2[n+]3ccccc3c4c5c6ccccn6c(N7CCCC7)[n+]5c8ccccc8n24"	0	NA	NA	1	1	"525275"	NA
"697103"	697103	"Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2cc(ccc2nc1Oc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	"394000"	NA
"697113"	697113	"Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"CC(NNC(=O)c1cc[n+]([BH2+3][C-]#N)cc1)c2ccccc2F"	0	""	""	1	1	"6334924"	NA
"697120"	697120	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2Nc3ccccc3N=C12)C"	0	NA	NA	2	2	"525297"	NA
"697121"	697121	""	"COC(=O)c1oc2c([C@H](C)CCC=C(C)C)c(O)c(O)c(C)c2n1"	0	NA	NA	1	1	"525298"	NA
"697123"	697123	""	"COC(=O)c1oc2c([C@H](C)CCC=C(C)C)c(Oc3c(C)c(O)c(O)c([C@H](C)CCC=C(C)C)c3O)c(O)c(C)c2n1"	0	NA	NA	1	1	"525300"	NA
"697124"	697124	""	"C[C@H](CCC=C(C)C)C1=C(N)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	"525301"	NA
"697125"	697125	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(N)C1=O)C"	0	NA	NA	2	2	"525302"	NA
"697127"	697127	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2F)C1=O)C"	0	NA	NA	2	2	"525304"	NA
"697128"	697128	""	"CNC1=C(C)C(=O)C(=C([C@H](C)CCC=C(C)C)C1=O)O"	0	NA	NA	2	2	"525305"	NA
"697129"	697129	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2)C1=O)C"	0	NA	NA	2	1	"525306"	NA
"697130"	697130	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2Sc3ccccc3N=C12)C"	0	NA	NA	2	2	"525307"	NA
"697131"	697131	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2F)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	2	"525308"	NA
"697132"	697132	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2Cl)C1=O)C"	0	NA	NA	2	2	"525309"	NA
"697133"	697133	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	2	"525310"	NA
"697134"	697134	""	"C[C@H](CCC=C(C)C)C1=CC(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	"525311"	NA
"697135"	697135	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2NC=CN=C12)C"	0	NA	NA	2	2	"525312"	NA
"697138"	697138	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2Cl)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	"525315"	NA
"697140"	697140	"5-[[4-[5-(4-chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine"	"Clc1ccc(Nc2nnc(CNc3ccc(cc3)c4nnc(Nc5ccc(Cl)cc5)s4)s2)cc1"	0	""	""	1	1	"394022"	NA
"697141"	697141	"5-[[4-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine"	"Clc1ccc(Nc2oc(CNc3ccc(cc3)c4oc(Nc5ccc(Cl)cc5)nn4)nn2)cc1"	0	""	""	2	1	"394023"	NA
"697142"	697142	"4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione"	"Sc1nnc(CNc2ccc(cc2)c3nnc(S)n3c4ccc(Cl)cc4)n1c5ccc(Cl)cc5"	0	""	""	1	1	"3005398"	NA
"697145"	697145	"5-[[4-[4-Amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-methyl-1,2,4-triazole-3,4-diamine"	"CNc1nnc(CNc2ccc(cc2)c3nnc(NC)n3N)n1N"	0	""	""	1	1	"394027"	NA
"697146"	697146	"3-[2-[4-[2-Oxo-2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)ethoxy]phenoxy]acetyl]-2-phenylimino-1,3-thiazolidin-4-one"	"O=C(COc1ccc(OCC(=O)N2C(=O)CS/C/2=N\c3ccccc3)cc1)N4C(=O)CS/C/4=N\c5ccccc5"	0	""	""	1	1	"394028"	NA
"697150"	697150	"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one"	"COc1ccc(cc1)N2CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CN(C4=S)c5ccc(OC)cc5)cc3)C2=S"	0	""	""	1	1	"394032"	NA
"697151"	697151	"1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-oxoethoxy]phenoxy]acetyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione"	"O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(C2=S)c3ccccc3)cc1)N4C(=O)CC(=O)N(C4=S)c5ccccc5"	0	""	""	1	1	"394033"	NA
"697152"	697152	"1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"Clc1ccc(cc1)N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(C4=S)c5ccc(Cl)cc5)cc3)C2=S"	0	""	""	1	1	"394034"	NA
"697153"	697153	"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"COc1ccc(cc1)N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(C4=S)c5ccc(OC)cc5)cc3)C2=S"	0	""	""	1	1	"394035"	NA
"697155"	697155	"2-[(4-Chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole"	"Clc1ccc(OCc2oc(CCCCCCCCc3oc(COc4ccc(Cl)cc4)nn3)nn2)cc1"	0	""	""	1	1	"394037"	NA
"697157"	697157	"2-[[5-[8-[5-[(1-Hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol"	"Oc1c(OCc2oc(CCCCCCCCc3oc(COc4ccc5ccccc5c4O)nn3)nn2)ccc6ccccc16"	0	""	""	1	1	"394039"	NA
"697165"	697165	"4h-1,2,4-triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-(ph..."	"C(CCCCc1nnc(COc2ccccc2)n1Nc3ccccc3)CCCc4nnc(COc5ccccc5)n4Nc6ccccc6"	0	""	""	5	3	"394047"	NA
"697166"	697166	"4h-1,2,4-triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4..."	"Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)n3Nc5ccccc5)n2Nc6ccccc6)cc1"	0	""	""	2	2	"394048"	NA
"697167"	697167	"2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol"	"Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)n3Nc6ccccc6)n2Nc7ccccc7)ccc8ccccc18"	0	""	""	2	2	"394049"	NA
"697168"	697168	"1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol"	"Oc1ccc2ccccc2c1OCc3nnc(CCCCCCCCc4nnc(COc5c(O)ccc6ccccc56)n4Nc7ccccc7)n3Nc8ccccc8"	0	""	""	2	2	"394050"	NA
"697169"	697169	"4h-1,2,4-triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2..."	"Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)n3Nc5ccccc5)n2Nc6ccccc6)c(Cl)c1"	0	""	""	2	2	"394051"	NA
"697177"	697177	"3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione"	"Clc1ccc(NCN2N=C(CCCCCCCCC3=NN(CNc4ccc(Cl)cc4)C(=S)O3)OC2=S)cc1"	0	""	""	1	1	"394059"	NA
"697187"	697187	"2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole"	"C(CCCCc1oc(nn1)c2ccccc2)CCCc3oc(nn3)c4ccccc4"	0	""	""	1	1	"394069"	NA
"697189"	697189	"NCIChal_000048"	"Oc1ccc2ccccc2c1c3oc(CCCCCCCCc4oc(nn4)c5c(O)ccc6ccccc56)nn3"	0	""	""	3	2	"394071"	NA
"697192"	697192	"decanediamide, n,n'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-..."	"Oc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(O)c(O)c4)\C3=O)c5c(O)ccc6ccccc56)C2=O)c7c(O)ccc8ccccc78)cc1O"	0	""	""	2	2	"5470052"	NA
"697193"	697193	""	"Oc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(O)c(O)c4)\C3=O)c5ccc(Cl)cc5)C2=O)c6ccc(Cl)cc6)cc1O"	0	NA	NA	2	2	"525370"	NA
"697194"	697194	"decanediamide, n,n'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-..."	"COc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(OC)c(OC)c4)\C3=O)c5c(O)ccc6ccccc56)C2=O)c7c(O)ccc8ccccc78)cc1OC"	0	NA	NA	2	2	"525371"	NA
"697196"	697196	""	"COc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(OC)c(OC)c4)\C3=O)c5ccccc5)C2=O)c6ccccc6)cc1OC"	0	NA	NA	1	1	"525373"	NA
"697219"	697219	"methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate"	"CO\C(=N\CCC1=CCCCC1)\C"	0	""	""	1	1	"394081"	NA
"697222"	697222	"2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile"	"N#CC(Cc1ccccc1)N(CCC2=CCCCC2)C(c3ccccc3)c4ccccc4"	0	""	""	1	1	"394084"	NA
"697234"	697234	"2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine"	"Cc1ccc(cc1)S(=O)(=O)N2CC(CCN)c3ccccc23"	0	""	""	3	2	"394096"	NA
"697235"	697235	"Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride"	"NCCC1CN(C(=O)OCc2ccccc2)c3ccccc13"	0	""	""	2	2	"394097"	NA
"697241"	697241	"2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine"	"COc1ccc(CN(CCc2c[nH]c3ccccc23)Cc4ccc(OC)cc4)cc1"	0	""	""	3	2	"394104"	NA
"697250"	697250	"(1S,4aR,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione"	"C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CCC3CN(c4ccc(Cc5ccc6N(CC(CCN7C[C@@H]8[C@H](C)OC(=O)C[C@H]8CC7=O)c6c5)S(=O)(=O)C(F)(F)F)cc34)S(=O)(=O)C(F)(F)F)C[C@H]12"	0	""	""	1	1	"394113"	NA
"697264"	697264	"(1R,2S,4S,8R,9S,10R,14R,15S)-9-hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one"	"C[C@@H]1CCC[C@@](C)(I)[C@@H]2CC[C@@](C)(O2)[C@@H](I)C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O"	0	""	""	2	2	"6712557"	NA
"697265"	697265	"(3aS,5S,6R,9E,13E,15aS)-6-hydroxy-5-iodo-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one"	"C\C\1=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]2[C@H](C\C(=C\CC1)\C)OC(=O)C2=C"	0	""	""	2	1	"5470068"	NA
"697268"	697268	"(1R,2S,4S,8S,10E,14R,15S)-2,15-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one"	"C\C\1=C/CC[C@@]2(C)O[C@](C)(CC[C@@H]2I)[C@@H](I)C[C@@H]3[C@H](C1)OC(=O)C3=C"	0	""	""	2	2	"54608971"	NA
"697270"	697270	"11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one"	"CCCCCCCc1cc2c3ccccc3nc4C(=O)c5cccnc5c(n1)c24"	0	""	""	2	2	"54608959"	NA
"697274"	697274	""	"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C"	0	NA	NA	2	2	"525427"	NA
"697275"	697275	"Neuro_000491"	"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OCC(O)C(O)C%10O)C(O)C7OC%11OC(C)C(O)C(O)C%11O"	0	""	""	2	1	"496677"	NA
"697286"	697286	"LY-294002"	"O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	1	1	"3973"	"154447366"
"697386"	697386	"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine"	"COc1ccc(cc1OC)C2(CC(C)C)CCN(C2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	"394152"	NA
"697387"	697387	""	"ClC(Cl)(Cl)COC(=O)N1CC[C@H](C1)C2CCCCC2"	0	NA	NA	1	1	"525447"	NA
"697388"	697388	""	"ClC(Cl)(Cl)COC(=O)N1CC[C@@H](C1)C2CCCCC2"	0	NA	NA	1	1	"525448"	NA
"697392"	697392	""	"COc1ccc(cc1OC)\C(=C\[N+](=O)[O-])\CCC2(OCC(C)(C)CO2)C=C"	0	NA	NA	1	1	"525452"	NA
"697393"	697393	""	"COc1ccc(cc1OC)[C@]23CCC4(OCC(C)(C)CO4)[C@H]5CON(O[C@@H](C2)O[C@@H]6CCCCC6C(C)(C)c7ccccc7)[C@H]35"	0	NA	NA	1	1	"525453"	NA
"697394"	697394	""	"COc1ccc(cc1OC)[C@]2(CCC3(OCC(C)(C)CO3)C=C)C[C@@H](O[C@@H]4CCCC[C@H]4C(C)(C)c5ccccc5)O[N+](=C2)[O-]"	0	NA	NA	2	1	"525454"	NA
"697443"	697443	"[4-[(E)-[3-[(dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride"	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccccc3)cc2)\C1=O"	0	""	""	2	2	"5351440"	NA
"697444"	697444	"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate;hydrochloride"	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)\C1=O"	0	""	""	2	2	"5470076"	NA
"697452"	697452	"Andrastin A"	"COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)C(=C[C@@H]3[C@]2(C)CC[C@@H]4C(C)(C)[C@H](CC[C@@]34C=O)OC(=O)C)C"	0	NA	NA	1	1	"525480"	"174232429"
"697453"	697453	"(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](CC(=O)C=C(C)C)[C@@H]14"	0	""	""	2	2	"394185"	NA
"697461"	697461	"ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate"	"CCCCNC(=O)Nc1c(C(=O)N)c2CCCCCn2c1C(=O)OCC"	0	""	""	1	1	"394192"	NA
"697466"	697466	"10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione"	"N=C1N(C(=O)N2C(=S)N(C(=O)c3c2c1c4CCCCCn34)c5ccccc5)c6ccccc6"	0	""	""	2	1	"394197"	NA
"697467"	697467	"n-acetyl-1-benzyl-nor-muramyl-l-prolyl-d-isoglutamyl-n-...."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)N[C@@H](CCC(=O)NCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	NA	NA	1	1	"525494"	NA
"697468"	697468	"n-acetyl-1-benzyl-muramyl-l-valil-d-isoglutamyl-n-.delta..."	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"489622"	NA
"697469"	697469	"n-acetyl-1-benzyl-nor-muramyl-l-alanyl-d-isoglutamyl-n- ..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	NA	NA	1	1	"525496"	NA
"697471"	697471	"n-acetyl-1-benzyl-nor-muramyl-l-prolyl-d-isoglutamyl-[n'..."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)N[C@@H](CCC(=O)NCCNCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	NA	NA	3	2	"525498"	NA
"697472"	697472	"n-acetyl-1-benzyl-muramyl-l-valil-d-isoglutamyl-[n-(2-am..."	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	"6712568"	NA
"697473"	697473	""	"O=C1C\C(=C/[C@H]2SSC=C[C@@]23CC(=O)C=C3)\C=C1"	0	NA	NA	2	1	"525500"	NA
"697487"	697487	"(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene"	"[O-][N+](=O)c1ccc(\C=N\CC2CCCN3CCCCC23)cc1"	0	""	""	1	1	"394205"	NA
"697488"	697488	"4-Nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol"	"Oc1ccc(cc1\C=N\c2nc(cs2)c3ccccc3)[N+](=O)[O-]"	0	""	""	2	2	"135505166"	NA
"697493"	697493	"Methyl 2-[[1-methoxy-3-[4-methoxy-3-[4-[3-methoxy-2-[(4-methoxycarbonylbenzoyl)amino]-3-oxopropyl]phenoxy]phenyl]-1-oxopropan-2-yl]carbamoyl]benzoate"	"COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3C(=O)OC)C(=O)OC)ccc2OC)cc1)NC(=O)c4ccc(cc4)C(=O)OC"	0	""	""	1	1	"394211"	NA
"697494"	697494	"[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate"	"COc1ccc(CC(COS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c3ccc(C)cc3)cc1"	0	""	""	2	2	"394212"	NA
"697497"	697497	"Methyl 2-benzamido-3-[4-[5-(2-benzamido-3-methoxy-3-oxo-propyl)-2-methoxy-phenoxy]phenyl]propanoate"	"COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3)C(=O)OC)ccc2OC)cc1)NC(=O)c4ccccc4"	0	""	""	2	2	"394215"	NA
"697504"	697504	"Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate"	"COC(=O)C1=C(C2OC1C3C2C4(C)C(=C(C)C3(C)S4=O)C)C(=O)OC"	0	""	""	2	2	"394217"	NA
"697524"	697524	"(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	"NC1C\C(=N/O)\c2c(I)sc(I)c12"	0	""	""	2	2	"9572057"	NA
"697525"	697525	"(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	"NC1C\C(=N/O)\c2c(Cl)sc(Cl)c12"	0	""	""	1	1	"9572058"	NA
"697529"	697529	"Taylor D"	"C[C@@H]1[C@@H]2CCC(=O)[C@]3(C)CCCC(C)(C)[C@H]3C[C@@H](O)C(=C2)C1=O"	0	""	""	1	1	"394229"	NA
"697530"	697530	"Taylor E"	"CC1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C3=C[C@@H](C[C@H](O)C2=O)C(=C)C3=O"	0	""	""	1	1	"394230"	NA
"697535"	697535	"N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)(C)c5ccccc5[N+](=O)[O-])c6ccccc46"	0	""	""	2	2	"394231"	NA
"697536"	697536	"N-[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide"	"[O-][N+](=O)c1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)c6oc7ccccc7c6)ccc5[nH]4"	0	""	""	3	2	"5470090"	NA
"697537"	697537	"N-[2-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide"	"Nc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)c6oc7ccccc7c6)ccc5[nH]4"	0	""	""	3	1	"394233"	NA
"697539"	697539	"6-amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbony..."	"Nc1ccc2C(CCl)CN(C(=O)c3cc4cc(NC(=O)c5oc6ccccc6c5)ccc4[nH]3)c2c1"	0	""	""	2	2	"394235"	NA
"697540"	697540	"Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate"	"Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc7c(ncn7C)[N+](=O)[O-])c3nc12"	0	""	""	2	2	"394236"	NA
"697568"	697568	"NCIChal_000050"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3ccccc3)n1c4ccccc4"	0	""	""	2	2	"394239"	NA
"697569"	697569	"NCIMech_000137"	"CCOC(=O)c1cn2c3ccc(OC)cc3sc2n1"	0	""	""	2	2	"394240"	NA
"697576"	697576	""	"[Na+].NC(=NC(P(=O)(O)O)P(=O)(O)O)N"	0	NA	NA	1	1	"525545"	NA
"697581"	697581	"[[(Z)-[3-allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid"	"OP(=O)(O)C(\N=C\1/SC=C(N1CC=C)c2ccc(cc2)[N+](=O)[O-])P(=O)(O)O"	0	""	""	1	1	"9572060"	NA
"697583"	697583	"[[(Z)-(3-ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid"	"CCN1\C(=N\C(P(=O)(O)O)P(=O)(O)O)\SC=C1c2ccccc2"	0	""	""	1	1	"9572062"	NA
"697584"	697584	"[[(Z)-[3-ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid"	"CCN1\C(=N\C(P(=O)(O)O)P(=O)(O)O)\SC=C1c2ccc(C)cc2"	0	""	""	1	1	"9572063"	NA
"697585"	697585	""	"[Na+].CN1C(=CS/C/1=N\C(P(=O)(O)O)P(=O)(O)O)C"	0	NA	NA	1	1	"525554"	NA
"697593"	697593	""	"CC1=CN(C2CC(C(CO)O2)[N+](=NNc3ccc(cc3)[N+](=O)[O-])[O-])C(=O)NC1=O"	0	NA	NA	1	1	"525560"	NA
"697646"	697646	""	"O=C1[C@@H]2CN3CN(N=C(c4ccccc4)[C@]3([C@@H]2C(=O)N1c5ccccc5)c6ccccc6)c7ccccc7"	0	NA	NA	2	2	"525572"	NA
"697653"	697653	""	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2C(O)[C@H]4[C@@H]5C[C@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	NA	NA	3	2	"525578"	NA
"697658"	697658	"(2E)-2-(phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide"	"CCCNC(=O)N1CC(CN2CCN(CC2)c3ccccc3)O/C/1=N/C(=O)Nc4ccccc4"	0	""	""	1	1	"5898191"	NA
"697665"	697665	"AHLDICFOVWNWRW-UHFFFAOYSA-N"	"CN1CCN(CC1)c2cc3[nH]c(nc3cc2F)c4ccc(Cl)cc4"	0	""	""	2	1	"394298"	NA
"697670"	697670	"2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one"	"CC(C)(C)C1=NC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O1"	0	""	""	1	1	"394303"	NA
"697672"	697672	"Dimethyl 2-(5-(1,3-dithiolan-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate"	"COC(=O)C1=C(SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1)C(=O)OC"	0	""	""	1	1	"394305"	NA
"697677"	697677	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C3NC(Cc4c[nH]c5ccccc45)C(=O)O3)cc1"	0	NA	NA	2	2	"525602"	NA
"697678"	697678	"2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone"	"CCC1=NC(=N/C/1=C\c2ccccc2O)N\N=C/c3ccccc3O"	0	""	""	2	2	"135484733"	NA
"697679"	697679	"2-[(Z)-[5-ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol"	"CCC1=NC(=N/C/1=C\c2ccccc2O)N\N=C\c3occc3"	0	""	""	1	1	"135484734"	NA
"697685"	697685	""	"CC(=O)O[C@H]1C#C\C=C/C#CC[C@H]2[C@H]1NC2=O"	0	NA	NA	3	3	"525608"	NA
"697686"	697686	""	"CC(=O)O[C@H]1C#C\C=C/C#CC[C@H]2[C@H]1N(C(=O)OC(C)(C)C)C2=O"	0	NA	NA	3	3	"525609"	NA
"697712"	697712	"2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine"	"CN(C)CCn1nc(N)c2nc3cc(ccc3nc12)C(F)(F)F"	0	""	""	1	1	"394343"	NA
"697714"	697714	"3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3nc4ccccc4nc3C#N"	0	""	""	1	1	"394344"	NA
"697715"	697715	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"Cc1cc2c(cc1C)[n+]([O-])c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])c(C#N)[n+]2[O-]"	0	""	""	1	1	"394345"	NA
"697716"	697716	"6-methyl-2-[(2,4-dinitrophenyl)thio]-4-(1h)-pyrimidinone"	"CC1=CC(=O)N=C(N1)Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	"135454603"	NA
"697717"	697717	"(+/-)-Rhopaloic acid"	"CC(=CCC\C(=C\CC\C(=C\CCC1CCC(OC1)C(=C)C(=O)O)\C)\C)C"	0	""	""	1	1	"6374719"	NA
"697726"	697726	"RH1"	"CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO"	0	"PK:ROS1"	"Clinical trial"	7	6	"394347"	"221635423"
"697730"	697730	"STL434863"	"OCC1OC(C(O)C1(O)C#C)N2C=CC(=O)NC2=O"	0	""	""	2	2	"394348"	NA
"697747"	697747	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-methox..."	"COc1cccc(c1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	"54608964"	NA
"697748"	697748	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrop..."	"[O-][N+](=O)c1ccc(cc1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	"54608965"	NA
"697764"	697764	""	"Clc1ccc2C(=O)N3CCC[C@H]3C(=O)Nc2c1"	0	NA	NA	1	1	"525663"	NA
"697766"	697766	""	"Nc1ccc2NC(=O)[C@@H]3CCCN3C(=O)c2c1"	0	NA	NA	1	1	"525665"	NA
"697768"	697768	""	"COCO[C@@H]1C[C@@H]2N(C1)C(=O)c3ccccc3NC2=O"	0	NA	NA	1	1	"525667"	NA
"697769"	697769	""	"COCN1C(=O)[C@@H]2CCCN2C(=O)c3cc(ccc13)[N+](=O)[O-]"	0	NA	NA	1	1	"525668"	NA
"697770"	697770	""	"COCN1C(=O)[C@@H]2CCCN2C(=O)c3cc(N)ccc13"	0	NA	NA	1	1	"525669"	NA
"697776"	697776	""	"COCN1C(=O)[C@@H]2C[C@H](CN2C(=O)c3ccccc13)OC\C=C\CBr"	0	NA	NA	1	1	"525675"	NA
"697777"	697777	"Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(C)CNc1c23"	0	""	""	1	1	"394377"	NA
"697782"	697782	"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4ccccc34"	0	""	""	2	2	"394382"	NA
"697783"	697783	"7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc2Sc3nc4ccccc4n3C(O)c2c(n1)N(C)C"	0	""	""	2	1	"394383"	NA
"697784"	697784	"Neuro_000494"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4cc5OCCOc5cc34"	0	""	""	2	2	"394384"	NA
"697785"	697785	"7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol"	"COc1cc2nc3Sc4nc(SC)nc(Cl)c4C(O)n3c2cc1OC"	0	""	""	3	1	"394385"	NA
"697786"	697786	"18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4cc5OCOc5cc34"	0	""	""	3	2	"394386"	NA
"697796"	697796	"Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N"	0	""	""	1	1	"394396"	NA
"697855"	697855	"Nitazoxanide"	"CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	"FDA approved"	2	1	"-1"	NA
"697856"	697856	"Tizoxanide"	"Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	""	2	1	"394397"	NA
"697859"	697859	"5-(1-adamantyl)-2-benzyloxy-1H-benzimidazole"	"C(Oc1nc2cc(ccc2[nH]1)C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	2	2	"394400"	NA
"697861"	697861	"5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole"	"Clc1ccccc1c2nc3cc(ccc3[nH]2)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	"394402"	NA
"697862"	697862	"5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole"	"Clc1ccc(cc1)c2nc3cc(ccc3[nH]2)C45CC6CC(CC(C6)C4)C5"	0	""	""	3	2	"394403"	NA
"697865"	697865	""	"CC1=CN(CC2=NCC(C)(C)N2)C(=O)NC1=O"	0	NA	NA	1	1	"525708"	NA
"697869"	697869	""	"CCC1CCN=C(CN2C=C(C)C(=O)NC2=O)N1"	0	NA	NA	1	1	"525712"	NA
"697872"	697872	""	"CCOC(=O)C1(C\C=C/CBr)CCCCCCCCCCC1=O"	0	NA	NA	2	2	"525715"	NA
"697875"	697875	"Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate"	"CCOC(=O)C1(C\C=C\CBr)Cc2ccccc2C1=O"	0	""	""	2	2	"5351442"	NA
"697882"	697882	"ALBB-006676"	"Nc1nonc1c2no[n+]([O-])c2c3nonc3N"	0	""	""	2	1	"394430"	NA
"697884"	697884	"3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol"	"Nc1nonc1c2onc(c3nonc3N)[n+]2[O-]"	0	""	""	1	1	"394432"	NA
"697886"	697886	"17-demethoxy-17-allylamino geldanamycin-11-[4-(dimethyla..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)C1OC(=O)CCCN(C)C)\C)\C)C2=O"	0	""	""	2	2	"5470131"	NA
"697887"	697887	"XK-469"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	"TOP2"	"Clinical trial"	4	1	"-1"	"157435104"
"697912"	697912	"5-Fluoro deoxy uridine 10mer"	"OCC1OC(CC1OP(=O)(O)OCC2OC(CC2OP(=O)(O)OCC3OC(CC3OP(=O)(O)OCC4OC(CC4OP(=O)(O)OCC5OC(CC5OP(=O)(O)OCC6OC(CC6OP(=O)(O)OCC7OC(CC7OP(=O)(O)OCC8OC(CC8OP(=O)(O)OCC9OC(CC9OP(=O)(O)OCC%10OC(CC%10O)N%11C=C(F)C(=O)NC%11=O)N%12C=C(F)C(=O)NC%12=O)N%13C=C(F)C(=O)NC%13=O)N%14C=C(F)C(=O)NC%14=O)N%15C=C(F)C(=O)NC%15=O)N%16C=C(F)C(=O)NC%16=O)N%17C=C(F)C(=O)NC%17=O)N%18C=C(F)C(=O)NC%18=O)N%19C=C(F)C(=O)NC%19=O)N%20C=C(F)C(=O)NC%20=O"	0	"Ds|AM"	"Clinical trial"	2	2	"16130072"	NA
"697923"	697923	"2-nitro-5-p-toluenesulfonylfuran"	"Cc1ccc(cc1)S(=O)(=O)c2oc(cc2)[N+](=O)[O-]"	0	""	""	2	2	"394449"	"343351677"
"697927"	697927	"4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine"	"COc1cnnc2c(C)c(nn12)c3ccccc3"	0	""	""	2	1	"394453"	NA
"697929"	697929	"7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene"	"C1C2C3C(C=CC2=NN1c4ccccc4)C56C=CC7C(C=C5)C7C36"	0	""	""	2	1	"394455"	NA
"697932"	697932	"Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate"	"CCSCc1ccccc1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)CCC(=C)C(=O)OC"	0	""	""	3	2	"394458"	NA
"697939"	697939	"methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate"	"COC(=O)C1\C=C/N(C(c2c(C=1c3ccccc3)cccc2)=O)C4CCCCC4"	0	""	""	1	1	"5470138"	NA
"697941"	697941	"Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate"	"COC(=O)C1=CC2N(C3CCCCC3)C1(c4ccccc4)c5ccccc5C2=O"	0	""	""	1	1	"394468"	NA
"697942"	697942	"Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(N(C3CCCCC3)C1C(=O)c4ccccc24)c5ccccc5"	0	""	""	2	1	"394469"	NA
"697946"	697946	"propanedioic acid, 2-(2-bromo-2-propenyl)-2-[2-(phenylsu..."	"COC(=O)C(CC(=C)Br)(CC(=C=C)S(=O)(=O)c1ccccc1)C(=O)OC"	0	""	""	2	2	"394473"	NA
"697979"	697979	"Denileukin Diftitox Ontak"	NA	0	"IL"	"FDA approved"	2	2	"-1"	NA
"697989"	697989	"Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O"	"CC(C)c1cc(C(C)C)c(OC(=O)C)c(c1)\C\2=[O]\[Cu+2]34\[O]=C(\c5cc(cc(C(C)C)c5OC(=O)C)C(C)C)/[O-][Cu+2](\[O]=C(\c6cc(cc(C(C)C)c6OC(=O)C)C(C)C)/[O-]3)(\[O]=C(/c7cc(cc(C(C)C)c7OC(=O)C)C(C)C)\[O-]4)[O-]2"	0	""	""	1	1	"394476"	NA
"698026"	698026	"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-amine"	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3ccc(Cl)cc3Cl"	0	""	""	2	1	"6036179"	NA
"698027"	698027	"1-[(2Z)-2-(3-Amino-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-(4-chlorophenyl)sulfanylethyl]naphthalen-2-ol"	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3c(O)ccc4ccccc34"	0	""	""	2	1	"5797894"	NA
"698028"	698028	""	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3cccs3"	0	NA	NA	1	1	"525777"	NA
"698029"	698029	"N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea"	"COc1cc(\C=C\c2nc(NC(=S)Nc3ccccc3)nnc2C)cc(OC)c1OC"	0	""	""	1	1	"6418039"	NA
"698031"	698031	"1-[5-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one"	"CN(C)c1ccc(\C=C\c2nc(nnc2C)N3C(=CC(=O)N(C3=S)c4ccccc4)O)cc1"	0	""	""	2	2	"6412312"	NA
"698033"	698033	""	"CN(C)c1ccc(\C=C\c2nc(N)nnc2C)cc1"	0	NA	NA	2	2	"525782"	NA
"698034"	698034	""	"Cc1nnc(N)nc1\C=C\c2cccs2"	0	NA	NA	1	1	"525783"	NA
"698035"	698035	"6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine"	"COc1cc(\C=C\c2nc(N)nnc2C)cc(OC)c1OC"	0	""	""	2	2	"6413214"	NA
"698037"	698037	"Pemetrexed"	"NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C(=O)N1"	0	"Df|AM|GARTF|DHFR|TYMS"	"FDA approved"	2	2	"135410875"	"137281233"
"698045"	698045	"3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid"	"OC(=O)Cc1ccc(Nc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F)cc1"	0	""	""	1	1	"394500"	NA
"698046"	698046	"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate"	"CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1"	0	""	""	1	1	"394501"	NA
"698048"	698048	"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline"	"COc1cc(cc(OC)c1OC)N(CC#C)Cc2ccc3nc(OC)c(OC)nc3c2"	0	""	""	3	2	"394503"	NA
"698051"	698051	"3-[(4-chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2\N=C\c3occc3)cc1"	0	""	""	1	1	"9556342"	NA
"698052"	698052	"4-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"O=C1NN=C(N1\N=C\c2occc2)c3ccccc3"	0	""	""	1	1	"9556343"	NA
"698057"	698057	"3-methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	2	1	"9556348"	NA
"698058"	698058	"4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2c3ccccc3)cc1"	0	""	""	2	2	"9556349"	NA
"698064"	698064	"3-benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cccc(\C=N\N2C(=O)NN=C2Cc3ccccc3)c1"	0	""	""	2	1	"9556355"	NA
"698065"	698065	"3-[(4-chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cccc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)c1"	0	""	""	3	1	"9556356"	NA
"698067"	698067	"4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2C)c(OC)c1"	0	""	""	1	1	"9556358"	NA
"698068"	698068	"3-methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=NNC2=O)C)cc(OC)c1OC"	0	""	""	1	1	"9556359"	NA
"698069"	698069	"3-[(4-chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)cc(OC)c1OC"	0	""	""	1	1	"9556360"	NA
"698076"	698076	"3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate"	"CCCCC1=C(N(C)C)C(=C(OC1=O)c2cn(C)c3ccccc23)OC(=O)C"	0	""	""	1	1	"394531"	NA
"698078"	698078	"2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one"	"CCCCC1=C(C(=O)N2CCOCC2)C3(OCCO3)C1=O"	0	""	""	1	1	"394533"	NA
"698087"	698087	"3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione"	"CCN(CC)C1=C(N(CC)CC)C(=O)C1=O"	0	""	""	3	3	"394542"	NA
"698088"	698088	"2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone"	"O=C1C=C(C(=O)c2ccccc12)C3=C(C(=O)c4ccccc4C3=O)C5=CC(=O)c6ccccc6C5=O"	0	""	""	3	2	"394543"	NA
"698090"	698090	"2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone"	"CC1=C(C)C(=O)C(=CC1=O)C2=C(C(=O)C(=C(C)C2=O)C)C3=CC(=O)C(=C(C)C3=O)C"	0	""	""	2	2	"394545"	NA
"698092"	698092	"1,4-naphthalenedione, 2,3-bis(4,5-dimethyl-3,6-dioxo-1,4..."	"CC1=C(C)C(=O)C(=CC1=O)C2=C(C(=O)c3ccccc3C2=O)C4=CC(=O)C(=C(C)C4=O)C"	0	""	""	4	4	"394547"	NA
"698093"	698093	"2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione"	"COc1cc(C2=C(C(=O)c3ccccc3C2=O)c4cc(OC)c5ccccc5c4OC)c(OC)c6ccccc16"	0	""	""	1	1	"394548"	NA
"698095"	698095	"9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one"	"CCCCC1C=CN2C(=O)Oc3c(OC(C)C)c(C)c(O)c1c23"	0	""	""	2	2	"394550"	NA
"698104"	698104	"VRBJCJNVLXEKKP-MDZDMXLPSA-N"	"COc1cccc(\C=C\C(=O)N2CC(CCl)c3c2cc(N)c4ccccc34)c1"	0	""	""	2	1	"5470144"	NA
"698126"	698126	"1,2,5,6-Tetrathiocine"	"S1S\C=C/SS\C=C/1"	0	""	""	1	1	"5470145"	NA
"698131"	698131	"5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide"	"NS(=O)(=O)c1nn2c(Br)c(nc2s1)c3ccccc3"	0	""	""	3	2	"394566"	NA
"698132"	698132	"Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate"	"CCOC(=O)Cc1nc2sc(nn2c1Br)S(=O)(=O)N"	0	""	""	1	1	"394567"	NA
"698141"	698141	"Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-"	"CC(C)(C)c1cc(c(P=C(Cl)Cl)c(c1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"394572"	NA
"698148"	698148	"5-tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide"	"CC(C)(C)c1ccc(OCCOc2ccc(cc2NC=O)C(C)(C)C)c(NC=O)c1"	0	""	""	3	2	"394579"	NA
"698163"	698163	"N-(2-bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide"	"CSC1=C(CCC(C1)C(C)(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc2Br"	0	""	""	1	1	"394583"	NA
"698181"	698181	"[2-[2-[1-[Tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)cyclohex-2-en-1-yl]ethyl]phenyl] trifluoromethanesulfonate"	"CC(C)(C)[Si](C)(C)OC1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc3ccccc3"	0	""	""	2	1	"394601"	NA
"698187"	698187	""	"C[C@H](Br)[C@@H]1CC[C@@H]2N(CCc3c2n(c4ccccc34)S(=O)(=O)c5ccc(C)cc5)C1"	0	NA	NA	1	1	"525901"	NA
"698199"	698199	""	"C[C@H](N1CO[C@]2(CCC[C@@H]12)C#Cc3ccc4OCOc4c3)c5ccccc5"	0	NA	NA	1	1	"525913"	NA
"698206"	698206	"1,3-dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one"	"CC(C)[Si](OC\C(=C\COC(C)(C)C)\[C@H]1CC=C(C1)C(=O)c2ccccc2N3CN(C)C(=O)N(C)C3)(C(C)C)C(C)C"	0	""	""	2	1	"5470160"	NA
"698211"	698211	""	"CC(C)(C)O\C=C\1/C2C[C@@H](CC2OC1=O)O[Si](C)(C)C(C)(C)C"	0	NA	NA	1	1	"525925"	NA
"698215"	698215	"XK-469"	"C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	"TOP2"	"Clinical trial"	2	1	"3246729"	"157542911"
"698216"	698216	"xk-469s"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	NA	NA	1	1	"525928"	"157542922"
"698243"	698243	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrop..."	"[O-][N+](=O)c1ccccc1c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	"54608997"	NA
"698244"	698244	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-methyl..."	"Cc1ccc(cc1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	"54608995"	NA
"698246"	698246	"(3aS,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione"	"C[C@]12CCC(=O)[C@@H](CCC3=CC(=O)C=CC3=O)[C@@H]1CCC2=O"	0	""	""	2	2	"394644"	NA
"698247"	698247	"[(8S,9S,10S,13S,14S)-13-methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34OC(=O)C(F)(F)F)[C@@H]1CCC2=O"	0	""	""	2	1	"394645"	NA
"698248"	698248	"Protogenkwanone"	"COc1cc(O)c2C(=O)C=C(Oc2c1)C3(O)C=CC(=O)C=C3"	0	""	""	2	2	"394646"	NA
"698249"	698249	"4-Ethyl-4-hydroxy-cyclohexa-2,5-dien-1-one"	"CCC1(O)C=CC(=O)C=C1"	0	""	""	2	1	"394647"	NA
"698250"	698250	"4,4'-dimethoxy-2,5-dienone"	"COC1(OC)C=CC(=O)C=C1"	0	""	""	2	2	"394648"	NA
"698252"	698252	"4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one"	"CC(=O)OC1(C)C=CC(=O)C=C1"	0	""	""	1	1	"394650"	NA
"698253"	698253	"2,5-cyclohexadien-1-one, 4-hydroxy-4-(3-hydroxy-1-propyn..."	"OCC#CC1(O)C=CC(=O)C=C1"	0	""	""	2	2	"394651"	NA
"698254"	698254	"5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol"	"Cn1c(ccc1c2ccc(C=O)[se]2)c3ccc[se]3"	0	""	""	2	2	"394652"	NA
"698255"	698255	"5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol"	"Cn1c(ccc1c2ccc(CO)[se]2)c3ccc[se]3"	0	""	""	2	2	"394653"	NA
"698259"	698259	"tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccccc3"	0	""	""	1	1	"5470169"	NA
"698260"	698260	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccccc4"	0	""	""	1	1	"5470170"	NA
"698261"	698261	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccccc4"	0	""	""	1	1	"5470171"	NA
"698262"	698262	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccc(Cl)cc4"	0	""	""	1	1	"5470172"	NA
"698263"	698263	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccc(Cl)cc4"	0	""	""	3	2	"5470173"	NA
"698266"	698266	"tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"5470176"	NA
"698269"	698269	"4-[(E)-(9-ethylcarbazol-3-yl)azo]benzonitrile"	"CCn1c2ccccc2c3cc(ccc13)N=Nc4ccc(cc4)C#N"	0	""	""	1	1	"394667"	NA
"698274"	698274	"1-[(E)-[2-chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(Cl)cc3"	0	""	""	1	1	"9572070"	NA
"698276"	698276	"Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"FC(F)(F)c1cccc(CNNC(=O)c2cc[n+]([BH2+3][C-]#N)cc2)c1"	0	""	""	3	2	"6334922"	NA
"698278"	698278	""	"COC(=O)\C=C/C(\N=C\c1cccc(OC)c1)(C#N)C#N"	0	NA	NA	3	3	"525964"	NA
"698280"	698280	""	"COC(=O)\C=C/C(\N=C\c1cccs1)(C#N)C#N"	0	NA	NA	2	2	"525966"	NA
"698281"	698281	""	"COC(=O)\C=C/C(\N=C\c1sccc1C)(C#N)C#N"	0	NA	NA	2	2	"525967"	NA
"698282"	698282	""	"COC(=O)\C=C/C(\N=C\c1ccc(Br)s1)(C#N)C#N"	0	NA	NA	2	2	"525968"	NA
"698286"	698286	"7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"Clc1ccc(cc1)C2CC(=O)CC(c3ccc(Cl)cc3)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	"394683"	NA
"698287"	698287	"1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone"	"CN(C)c1ccc(cc1)C2CC(=O)CC(c3ccc(cc3)N(C)C)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	"394684"	NA
"698363"	698363	"N-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine"	"[O-][N+](=O)\C(=C(/Nc1cccc2cccnc12)\SCc3ccccc3)\C(=C(Cl)Cl)Cl"	0	""	""	1	1	"5470189"	NA
"698367"	698367	"N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine"	"CCCCN(CCCC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CCCC)CCCC"	0	""	""	1	1	"394699"	NA
"698369"	698369	"J3.600.858J"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\n2nnc3ccccc23)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	"2833828"	NA
"698374"	698374	"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline"	"Cc1cccc(N\C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])\n2nnc3ccccc23)c1"	0	""	""	1	1	"5470195"	NA
"698379"	698379	"1,3-butadiene-1,4-diamine, 1-(1h-benzotriazol-1-yl)-3,4-..."	"CCOc1ccc(N\C(=C(\Cl)/C(=C(/Nc2ccc(OCC)cc2)\n3nnc4ccccc34)/[N+](=O)[O-])\Cl)cc1"	0	""	""	2	2	"5470200"	NA
"698380"	698380	"2-[[(1Z,3E)-4-(benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/NCCO)\Cl)/[N+](=O)[O-])\n2nnc3ccccc23)cc1"	0	""	""	1	1	"5470201"	NA
"698382"	698382	"N-[(1E,3Z)-1-(benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/N2CCCCC2)\Cl)/[N+](=O)[O-])\n3nnc4ccccc34)cc1"	0	""	""	1	1	"5470203"	NA
"698388"	698388	"1-[(1E)-3,4,4-trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\n2cncn2)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	"5470206"	NA
"698389"	698389	"1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole"	"[O-][N+](=O)C(=C(n1cncn1)n2cncn2)C(=C(Cl)Cl)Cl"	0	""	""	2	2	"394721"	NA
"698391"	698391	"(1E,3Z)-1-(benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/N(CC)CC)\Cl)/[N+](=O)[O-])\n2nnc3ccccc23)cc1"	0	""	""	1	1	"5470208"	NA
"698394"	698394	"piperidine, 1,1'-(3,4-dichloro-2,4-dinitro-1,3-butadiene..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(N1CCCCC1)N2CCCCC2)[N+](=O)[O-])\Cl"	0	""	""	3	2	"3107921"	NA
"698395"	698395	"morpholine, 4,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(N1CCOCC1)N2CCOCC2)[N+](=O)[O-])\Cl"	0	""	""	2	2	"1618703"	NA
"698397"	698397	"1,3-butadiene-1,1-diamine, 3,4,4-trichloro-2-nitro-n,n'-..."	"CC(NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)C12CC3CC(CC(C3)C1)C2)C45CC6CC(CC(C6)C4)C5"	0	""	""	2	2	"394729"	NA
"698398"	698398	"1,3-butadiene-1,1-diamine, 3,4-dichloro-2,4-dinitro-n,n'..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(Nc1ccccc1)Nc2ccccc2)[N+](=O)[O-])\Cl"	0	""	""	2	1	"5470211"	NA
"698400"	698400	"STK369750"	"C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5ccc6OCOc6c5"	0	""	""	1	1	"394732"	NA
"698408"	698408	"4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol"	"Oc1ccc(c(O)c1)c2nc3ccc4ccccc4c3c5CCCCc25"	0	""	""	2	2	"394740"	NA
"698409"	698409	"5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine"	"Clc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCCc25"	0	""	""	1	1	"394741"	NA
"698451"	698451	"N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide"	"O=C(N\N=C\C=C\c1ccccc1)c2ccccc2Nc3ccccc3C(=O)N\N=C\C=C\c4ccccc4"	0	""	""	1	1	"9556371"	NA
"698452"	698452	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]anilino]benzamide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2Nc3ccccc3C(=O)N\N=C\c4ccccc4O"	0	""	""	2	2	"135484736"	NA
"698453"	698453	"N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide"	"C\C(=N\NC(=O)c1ccccc1Nc2ccccc2C(=O)N\N=C(/C)\c3ccc(C)cc3)\c4ccc(C)cc4"	0	""	""	1	1	"5493586"	NA
"698458"	698458	"5-[2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine"	"N(c1ccccc1)c2nnc(s2)c3ccccc3Nc4ccccc4c5nnc(Nc6ccccc6)s5"	0	""	""	1	1	"394755"	NA
"698459"	698459	"N-ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine"	"CCNc1nnc(s1)c2ccccc2Nc3ccccc3c4nnc(NCC)s4"	0	""	""	2	1	"394756"	NA
"698461"	698461	"N,N-Bis(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)amine"	"CC(=O)N1N=C(OC1c2ccccc2)c3ccccc3Nc4ccccc4C5=NN(C(O5)c6ccccc6)C(=O)C"	0	""	""	1	1	"394758"	NA
"698571"	698571	"(5Z)-1-methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione"	"CN1C(=O)NC(=O)\C(=C/Nc2ncccc2C)\C1=O"	0	""	""	1	1	"135484737"	NA
"698573"	698573	"NCIMech_000257"	"c1c[nH]c(c1)c2ccc(c3ccc[nH]3)c4nsnc24"	0	""	""	3	3	"394788"	NA
"698574"	698574	"4,7-bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole"	"c1cc(c2ccc([nH]2)c3ccc(c4ccc([nH]4)c5cccc6nsnc56)c7nsnc37)c8nsnc8c1"	0	""	""	1	1	"394789"	NA
"698575"	698575	"CTRXHSDVFVFXGZ-UHFFFAOYSA-"	"CC1=C2C(=O)NN=C2CCN1c3ccc(Br)cc3"	0	""	""	1	1	"394790"	NA
"698578"	698578	"thiourea, N-3-dibenzofuranyl-"	"NC(=S)Nc1ccc2c(oc3ccccc23)c1"	0	""	""	2	1	"3005416"	NA
"698581"	698581	"6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline"	"Cn1nc(c2ccccc2)c3c(c4ccccc4)c5cc(Cl)ccc5nc13"	0	""	""	2	2	"394794"	NA
"698601"	698601	"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	"CCCCc1ccc(cc1)N2Sc3ncc(C)cc3C2=O"	0	""	""	1	1	"394799"	NA
"698610"	698610	"Maybridge3_004519"	"N#Cc1ccc(cc1)N2CCOCC2"	0	""	""	1	1	"394808"	NA
"698611"	698611	""	"C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](N)CC=C"	0	NA	NA	1	1	"526100"	NA
"698614"	698614	"4-(4-cyano-N-(4-methoxyphenyl)anilino)benzonitrile"	"COc1ccc(cc1)N(c2ccc(cc2)C#N)c3ccc(cc3)C#N"	0	""	""	1	1	"394812"	NA
"698666"	698666	"Indanocine"	"COc1cc2C\C(=C/c3cc(C)c(O)c(C)c3)\C(=O)c2c(N)c1OC"	0	""	""	2	2	"5470230"	NA
"698672"	698672	"2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1I)c2nc3ccccc3s2"	0	""	""	3	3	"394822"	NA
"698673"	698673	"2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1Br)c2nc3ccccc3s2"	0	""	""	3	2	"394823"	NA
"698674"	698674	"STK520043"	"CC(=O)Nc1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	"394824"	NA
"698675"	698675	"2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	3	2	"394825"	NA
"698678"	698678	"3,12-epoxy-12h-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[..."	"C[C@@H]1CCC2[C@@H](C)[C@@H](OCCO[C@H]3OC4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)OC7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	2	2	"54609039"	NA
"698680"	698680	"3-(2-Chlorophenyl)-7-fluoro-chromen-4-one"	"Fc1ccc2C(=O)C(=COc2c1)c3ccccc3Cl"	0	""	""	1	1	"394828"	NA
"698684"	698684	"[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(OC(=O)C)C3OC(=O)C)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	"394832"	NA
"698685"	698685	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N)C(O)C2O"	0	""	""	3	2	"394833"	NA
"698686"	698686	"[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=NC4=O)N)OCCCCCCCCCCCCCCCCCC)O2"	0	""	""	1	1	"394834"	NA
"698687"	698687	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N)O2"	0	""	""	1	1	"394835"	NA
"698688"	698688	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N"	0	""	""	3	2	"394836"	NA
"698690"	698690	"[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=NC4=O)NCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C2O"	0	""	""	1	1	"394838"	NA
"698691"	698691	"1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone"	"CC(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1"	0	""	""	3	2	"394839"	NA
"698692"	698692	"Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate"	"CCOC(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1"	0	""	""	3	2	"394840"	NA
"698792"	698792	"Kikubasaponin"	"COC1(CC[C@@H](C)COC2OC(CO)C(O)C(O)C2O)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O"	0	NA	NA	2	2	"526142"	"54522531"
"698793"	698793	"Methyl protoneogracillin"	"COC1(CC[C@H](C)COC2OC(CO)C(O)C(O)C2O)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O"	0	NA	NA	2	1	"526143"	NA
"698925"	698925	"2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol"	"CCOP(=O)(CC1OC(CO)C(O)C1O)OCC"	0	""	""	2	1	"394850"	NA
"698931"	698931	"methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3ccc2[nH]1"	0	""	""	2	2	"394855"	NA
"698945"	698945	"(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one"	"COc1cc2C\C=C\CCCC[C@@H](C)OC(=O)c2c(OC)c1"	0	""	""	3	1	"5470232"	NA
"698952"	698952	"4-N-(1-adamantyl)-6-chloropyrimidine-2,4,5-triamine"	"Nc1nc(Cl)c(N)c(NC23CC4CC(CC(C4)C2)C3)n1"	0	""	""	2	1	"394863"	NA
"698954"	698954	"N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine"	"Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC56CC7CC(CC(C7)C5)C6)n1"	0	""	""	2	2	"394865"	NA
"698955"	698955	"N~2~,N~4~,N~6~-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine"	"C1C2CC3CC1CC(C3)(C2)Nc4nc(NC56CC7CC(CC(C7)C5)C6)nc(NC89CC%10CC(CC(C%10)C8)C9)n4"	0	""	""	2	1	"394866"	NA
"698959"	698959	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	2	2	"394870"	NA
"698960"	698960	"5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(N)cc4C(=O)c1c23"	0	""	""	2	2	"394871"	NA
"698964"	698964	""	"NC1CNC(=O)c2cscc12"	0	NA	NA	1	1	"526178"	NA
"698968"	698968	"9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2C(=O)c5occc5"	0	""	""	1	1	"394877"	NA
"698972"	698972	"9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline"	"Cc1ccc(cc1)S(=O)(=O)n2c3ccc(Br)cc3c4nc5ccccc5nc24"	0	""	""	1	1	"394881"	NA
"698975"	698975	"2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide"	"CCCCNC(=O)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13"	0	""	""	1	1	"394884"	NA
"698978"	698978	"N-benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NCc5ccccc5"	0	""	""	1	1	"394887"	NA
"698980"	698980	"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide"	"NNC(=O)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13"	0	""	""	1	1	"394889"	NA
"698982"	698982	"5-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=S)O5"	0	""	""	2	1	"3005419"	NA
"698983"	698983	"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NNC(=S)NC5CCCCC5"	0	""	""	1	1	"3001650"	NA
"698984"	698984	"3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=S)N5C6CCCCC6"	0	""	""	2	1	"3005420"	NA
"698985"	698985	"2-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-N-cyclohexylhydrazinecarboxamide"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NNC(=O)NC5CCCCC5"	0	""	""	1	1	"394894"	NA
"698986"	698986	"3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=O)N5C6CCCCC6"	0	""	""	1	1	"394895"	NA
"698989"	698989	"3mhc"	"NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1"	0	""	""	1	1	"394897"	NA
"698990"	698990	"LS-25666"	"NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1"	0	""	""	1	1	"394898"	NA
"699002"	699002	"p-tolylsulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(C)cc1"	0	""	""	1	1	"394909"	NA
"699003"	699003	"(4-acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(NC(=O)C)cc1"	0	""	""	2	2	"394910"	NA
"699004"	699004	"(4-aminophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(N)cc1"	0	""	""	2	2	"394911"	NA
"699006"	699006	"(4-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"394913"	NA
"699007"	699007	"ACT09032"	"CCN(CC)C(=S)SS(=O)(=O)c1ccccc1[N+](=O)[O-]"	0	""	""	2	2	"394914"	NA
"699008"	699008	"2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid"	"CCN(CC)C(=S)SS(=O)(=O)c1ccccc1C(=O)O"	0	""	""	3	2	"394915"	NA
"699009"	699009	"(4-chlorophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(Cl)cc1"	0	""	""	1	1	"394916"	NA
"699010"	699010	"(4-fluorophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(F)cc1"	0	""	""	1	1	"394917"	NA
"699011"	699011	"[2-(4-sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SNCCc1ccc(cc1)S(=O)(=O)N"	0	""	""	2	2	"394918"	NA
"699019"	699019	""	"COc1cccc2c1CCc3cc4c(N)nc(N)nc4nc23"	0	NA	NA	3	1	"526227"	NA
"699022"	699022	"1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one"	"CN1C(=O)Oc2nc(cc(c12)C(F)(F)F)c3ccccc3"	0	""	""	1	1	"394921"	NA
"699028"	699028	""	"CN1C(=O)[C@@H]2N(CSC2(C)C)C1=S"	0	NA	NA	1	1	"526235"	NA
"699029"	699029	""	"[Na+].Cc1ncc(COP(=O)(O)O)c(\C=C\2/SC(=S)NC2=O)c1O"	0	NA	NA	2	1	"526236"	NA
"699031"	699031	""	"C=C1CN(Cc2ccccc2)[C@@H]3CCCCC[C@H](C#N)[C@H]13"	0	NA	NA	2	1	"526238"	NA
"699034"	699034	"2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol"	"COC1OC(Cn2cc(nc2C)[N+](=O)[O-])C(O)C(O)C1O"	0	""	""	1	1	"394934"	NA
"699069"	699069	""	"COc1cc(\C=C/2\SC(N(C2=O)c3ccc(Cl)cc3)c4ccccc4)cc(OC)c1OC"	0	NA	NA	2	2	"526262"	NA
"699071"	699071	""	"COc1ccccc1N2C(S\C(=C\c3cc(OC)c(OC)c(OC)c3)\C2=O)c4ccccc4"	0	NA	NA	1	1	"526264"	NA
"699081"	699081	""	"Clc1ccc(cc1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	2	2	"526274"	NA
"699083"	699083	""	"COc1ccc(cc1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	"526276"	NA
"699086"	699086	""	"COc1ccc(NC(=O)C)cc1N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	"526279"	NA
"699087"	699087	""	"Clc1ccc(Cl)c(c1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	"526280"	NA
"699092"	699092	""	"COc1cc(\C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	2	2	"526285"	NA
"699095"	699095	""	"COc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cc(OC)c(OC)c(OC)c4)\C2=O"	0	NA	NA	1	1	"526288"	NA
"699100"	699100	""	"COc1cc(\C=C\2/C(=O)N(Cc3ccccc3)C(c4ccccc4)S2(=O)=O)cc(OC)c1OC"	0	NA	NA	1	1	"526293"	NA
"699103"	699103	""	"Clc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	"526296"	NA
"699105"	699105	""	"COc1ccccc1N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	"526298"	NA
"699106"	699106	""	"COc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	"526299"	NA
"699109"	699109	""	"COc1ccc(NC(=O)C)cc1N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	"526302"	NA
"699111"	699111	""	"O=C1N(Cc2ccccc2)C(c3ccccc3)S(=O)(=O)/C/1=C/c4cccc(Oc5ccccc5)c4"	0	NA	NA	1	1	"526304"	NA
"699112"	699112	""	"COc1ccccc1N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	"526305"	NA
"699121"	699121	"Upro-PAME"	"COC(=O)C(=C)[C@H]1CC\C(=C\CC[C@@](C)(O)\C=C\C[C@@]2(C)O[C@@H]2C1)\C"	0	""	""	1	1	"54611345"	NA
"699122"	699122	"palisol"	"C\C(=C/CC1C(=C)CC=CC1(C)C)\C(O)CBr"	0	""	""	1	1	"6393559"	NA
"699123"	699123	"5-Acetoxypalisadin B"	"CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@H]12"	0	""	""	1	1	"395002"	NA
"699139"	699139	"2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride"	"NCCCCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	2	1	"439019"	NA
"699142"	699142	"N-[2-(diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(ccc4[nH]3)[N+](=O)[O-])ccc2[nH]1"	0	""	""	2	2	"5110746"	NA
"699144"	699144	"N-[2-(diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)c5cc6cc(ccc6[nH]5)[N+](=O)[O-])ccc4[nH]3)ccc2[nH]1"	0	""	""	1	1	"5184308"	NA
"699145"	699145	"5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1"	0	""	""	1	1	"395006"	NA
"699148"	699148	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate"	"CCOC(=O)Oc1ccc2c(c1)C(=O)c3c(NCCN(CC)CC)ccc4nnn2c34"	0	""	""	2	2	"439022"	NA
"699149"	699149	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate"	"CCC(=O)Oc1ccc2c(c1)C(=O)c3c(NCCCN(C)C)ccc4nnn2c34"	0	""	""	2	2	"439023"	NA
"699150"	699150	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate"	"CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccc(cc5)[N+](=O)[O-])cc4C(=O)c1c23"	0	""	""	2	2	"439024"	NA
"699151"	699151	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate"	"CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccccc5)cc4C(=O)c1c23"	0	""	""	2	1	"439025"	NA
"699152"	699152	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate"	"CCN(CC)CCNc1ccc2nnn3c4ccc(OC(=O)C)cc4C(=O)c1c23"	0	""	""	2	2	"439026"	NA
"699165"	699165	"(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-propyl ester"	"CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	1	1	"5470290"	NA
"699167"	699167	"3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester"	"CC(=O)Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	1	1	"5470292"	NA
"699168"	699168	""	"C[C@H](OC(=O)\C=C\c1ccc(OC(=O)C)c(OC(=O)C)c1)[C@H](C)OC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2"	0	NA	NA	1	1	"526321"	NA
"699170"	699170	"3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	"Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O"	0	""	""	1	1	"5470295"	NA
"699177"	699177	""	"COc1ccc(cc1O)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C(=O)C)c4ccccc4"	0	NA	NA	1	1	"526330"	NA
"699184"	699184	""	"CCOC(=O)C1=C(N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(OC)c(O)c3)C#N)c4ccccc4"	0	NA	NA	1	1	"526337"	NA
"699186"	699186	"Ethyl 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(OC)c(O)c3)C#N)c4ccccc4"	0	""	""	1	1	"395025"	NA
"699188"	699188	"5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)Nc4ccccc4)c5ccccc5"	0	""	""	1	1	"395026"	NA
"699191"	699191	"7-Methoxy-N-[2-[2-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"COc1ccc2c(ccc3c(cn(C)c23)C(=O)NCCN(C)CCNC(=O)c4cn(C)c5c4ccc6cc(OC)ccc56)c1"	0	""	""	1	1	"395029"	NA
"699192"	699192	"7-Methoxy-N-[3-[3-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"COc1ccc2c(ccc3c(cn(C)c23)C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc6cc(OC)ccc56)c1"	0	""	""	1	1	"395030"	NA
"699221"	699221	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile"	"Cc1cc2nc(C#N)c(nc2cc1C)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	1	"395037"	NA
"699222"	699222	"2-quinoxalinecarbonitrile, 7-(4-nitrophenyl)-3-[4-(4-nit..."	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4cc(ccc4[n+]3[O-])c5ccc(cc5)[N+](=O)[O-]"	0	""	""	2	2	"395038"	NA
"699226"	699226	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	"526357"	NA
"699227"	699227	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	"526358"	NA
"699228"	699228	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	1	"526359"	NA
"699229"	699229	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	"526360"	NA
"699230"	699230	""	"Cc1ccc2N=C[C@@H]3CCCN3C(=O)c2c1"	0	NA	NA	2	1	"526361"	NA
"699234"	699234	"2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole"	"COc1ccc(cc1)S(=O)(=O)c2nnc(s2)S(=O)(=O)Cc3ccccc3"	0	""	""	1	1	"395049"	NA
"699241"	699241	"1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil"	"Brc1ccc(NC2=CN(COCc3ccccc3)C(=O)NC2=O)cc1"	0	""	""	1	1	"395053"	NA
"699243"	699243	"1-(2-Phenoxyethyl)-5-(phenylamino)uracil"	"O=C1NC(=O)C(=CN1CCOc2ccccc2)Nc3ccccc3"	0	""	""	1	1	"395054"	NA
"699245"	699245	"1,3-di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil"	"Cc1ccccc1NC2=CN(CCOc3ccccc3)C(=O)N(CCOc4ccccc4)C2=O"	0	""	""	1	1	"395056"	NA
"699246"	699246	"1-(2-phenoxyethyl)-5-(3-methylphenylamino)uracil"	"Cc1cccc(NC2=CN(CCOc3ccccc3)C(=O)NC2=O)c1"	0	""	""	1	1	"395057"	NA
"699247"	699247	"1,3-di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil"	"Cc1cccc(NC2=CN(CCOc3ccccc3)C(=O)N(CCOc4ccccc4)C2=O)c1"	0	""	""	1	1	"395058"	NA
"699332"	699332	""	"CC1=CN(C2CC(CC=C)C(CO[Si](C)(C)C(C)(C)C)O2)C(=O)NC1=O"	0	NA	NA	1	1	"526386"	NA
"699382"	699382	"(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol"	"CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(OCc3ccccc3)[C@@H]1O"	0	""	""	3	1	"5470307"	NA
"699383"	699383	""	"CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O"	0	NA	NA	1	1	"526408"	NA
"699384"	699384	"Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	"COC(=O)C1C2CCCN2C(=O)N(C)C1=O"	0	""	""	1	1	"395092"	NA
"699385"	699385	"2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione"	"CN1C(=O)CC2CCCN2C1=O"	0	""	""	1	1	"395093"	NA
"699391"	699391	""	"CC(O)[C@]1(CC2(CCN(C)CC2)O[C@H]1C)c3ccccc3"	0	NA	NA	1	1	"526416"	NA
"699397"	699397	""	"CCOC(=O)N1CCC2(CC1)C[C@@](C)(C(C)O2)C(=O)C"	0	NA	NA	1	1	"526422"	NA
"699400"	699400	"1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one"	"CC(C)[Si](CC1=CCCCC12C(=O)N(COCC[Si](C)(C)C)c3ccccc23)(C(C)C)C(C)C"	0	""	""	1	1	"395110"	NA
"699405"	699405	"N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide"	"CC(C)[Si](OC1=C(CCCCC1)C(=O)Nc2ccccc2Cl)(C(C)C)C(C)C"	0	""	""	2	1	"395115"	NA
"699410"	699410	"rac-diop"	"CC1(C)O[C@@H](CP(c2ccccc2)c3ccccc3)[C@H](CP(c4ccccc4)c5ccccc5)O1"	0	""	""	1	1	"395120"	NA
"699411"	699411	""	"COC(=O)[C@@H]1OC(C)(O[C@H]1C(=O)OC)c2ccccc2"	0	NA	NA	1	1	"526436"	NA
"699412"	699412	"(R,R)-Diop"	"CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1"	0	""	""	2	2	"122582"	NA
"699413"	699413	"2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol"	"OCC(CCc1ccccc1I)C2=CCC3(CC2)OCCO3"	0	""	""	1	1	"395122"	NA
"699415"	699415	"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate"	"COC(=O)C(CCc1ccccc1I)C2=CCC3(CC2)OCCO3"	0	""	""	1	1	"395124"	NA
"699417"	699417	"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate"	"CCC1(O)CC(CCN(Cc2ccccc2)C(=O)OCc3ccccc3)C(OCc4ccccc4)C1O"	0	""	""	1	1	"395126"	NA
"699418"	699418	"5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one"	"CCC1(O)CC2CC(=O)OC2C1O"	0	""	""	1	1	"395127"	NA
"699425"	699425	"1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one"	"O\C(=C/C(=O)c1cccc(CC=C)c1O)\C=C\c2ccccc2Cl"	0	""	""	2	1	"5470312"	NA
"699426"	699426	"dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2C(S1)C(=S)N(C)C"	0	""	""	1	1	"395135"	NA
"699427"	699427	"5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione"	"CCCN(CCCc1ccccc1)CCc2ccc3NC(=S)Nc3c2"	0	""	""	1	1	"3005423"	NA
"699431"	699431	"3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile"	"CC(C)(C)c1ccc(cc1)c2oc(nn2)c3cc(cc(c3)c4oc(nn4)c5ccc(cc5)C(C)(C)C)C#N"	0	""	""	1	1	"395140"	NA
"699433"	699433	""	"CN(CCN)[C@H](CSSC[C@H](N(C)CCN)c1ccccc1O)c2ccccc2O"	0	NA	NA	2	1	"526458"	NA
"699447"	699447	"4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one"	"COc1ccc2C(=C(Oc3ccccc3)C(=O)Oc2c1)c4ccc(O)cc4"	0	""	""	2	2	"395147"	NA
"699448"	699448	"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one"	"COc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccc(O)cc4"	0	""	""	2	1	"395148"	NA
"699449"	699449	"4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one"	"CN(C)CCOc1ccc(cc1)C2=C(Oc3ccccc3)C(=O)Oc4ccccc24"	0	""	""	1	1	"395149"	NA
"699450"	699450	"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one"	"CN(C)CCOc1ccc(cc1)C2=C(Oc3ccc(Cl)cc3)C(=O)Oc4ccccc24"	0	""	""	2	1	"395150"	NA
"699452"	699452	"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one"	"COc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccc(OCCN(C)C)cc4"	0	""	""	2	2	"395152"	NA
"699471"	699471	"Paullone Analog 44"	"Oc1cccc2c1NC(=O)Cc3c2[nH]c4ccc(Br)cc34"	0	""	""	1	1	"395169"	NA
"699474"	699474	"1-n-methyl-2-phenyl-4-(3',4',5'-trimethoxybenzylidine)-p..."	"COc1cc(\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc(OC)c1OC"	0	""	""	2	2	"5470313"	NA
"699475"	699475	"4-[(Z)-[2-(1-adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc([n+]4C)C56CC7CC(CC(C7)C5)C6)cc1"	0	""	""	2	2	"5470315"	NA
"699476"	699476	"3-methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	"COc1cc(ccc1\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)N(C)C"	0	""	""	2	2	"5470317"	NA
"699477"	699477	"N,N-dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	"5470319"	NA
"699478"	699478	"ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate"	"CCOC(=O)c1cc2\C(=C/c3ccc(cc3)N(C)C)\c4ccccc4n2[n+]1C"	0	""	""	2	2	"5470321"	NA
"699479"	699479	"4-[(Z)-[2-(4-chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(c5ccc(Cl)cc5)[n+]4C)cc1"	0	""	""	2	2	"5351444"	NA
"699483"	699483	"methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3cc(N(C)C)c2[nH]1"	0	""	""	2	1	"395185"	NA
"699490"	699490	"Doxoform"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC6C(OCN6CN7COC8C(C)OC(CC78)O[C@H]9C[C@@](O)(Cc%10c(O)c%11C(=O)c%12cccc(OC)c%12C(=O)c%11c(O)c9%10)C(=O)CO)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	"24202589"	NA
"699491"	699491	"Epidoxoform"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC6C(OCN7CN6COC8C(C)OC(CC78)O[C@H]9C[C@@](O)(Cc%10c(O)c%11C(=O)c%12cccc(OC)c%12C(=O)c%11c(O)c9%10)C(=O)CO)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	4	3	"395188"	NA
"699499"	699499	"[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N)C2O"	0	""	""	1	1	"395196"	NA
"699666"	699666	"N'-(5-formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccccc3"	0	""	""	2	2	"9601322"	NA
"699667"	699667	"N'-[6-(4-chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(Cl)cc3"	0	""	""	2	2	"9556374"	NA
"699668"	699668	"N'-[5-formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"9556375"	NA
"699669"	699669	"N'-[5-formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	"9601323"	NA
"699670"	699670	"N'-[5-formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3oc(cc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"9601324"	NA
"699671"	699671	"N'-[5-formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	"9601325"	NA
"699680"	699680	"z-.alpha.-chlorochalcone"	"Cl\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	""	""	2	2	"5470324"	NA
"699695"	699695	"2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile"	"Cc1cnc(Cl)nc1C(C#N)c2nc3ccccc3s2"	0	""	""	1	1	"395220"	NA
"699702"	699702	"2-(2-Chloro-5-methyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile"	"Cc1cnc(Cl)nc1C(C#N)c2nc3ccccc3n2C"	0	""	""	1	1	"395227"	NA
"699703"	699703	"1,3-Benzothiazol-2-yl(6-chloro-5-nitropyrimidin-4-yl)acetonitrile"	"[O-][N+](=O)c1c(Cl)ncnc1C(C#N)c2nc3ccccc3s2"	0	""	""	1	1	"395228"	NA
"699704"	699704	"acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-"	"Clc1nccc(n1)C(C#N)c2nc3ccccc3s2"	0	""	""	2	2	"395229"	NA
"699708"	699708	"2h-isoquinolin-1-one, 3-amino-2-(2-benzothiazolyl)-4-(3,..."	"NC1=C(c2ccc(Cl)c(Cl)c2)c3ccc(cc3C(=O)N1c4nc5ccccc5s4)[N+](=O)[O-]"	0	""	""	2	2	"395233"	NA
"699710"	699710	"F0012-0183"	"Cc1cccc2sc(NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])nc12"	0	""	""	2	2	"395235"	NA
"699714"	699714	"Z56789550"	"CN1C2=C(C#N)c3ncccc3C(=O)N2c4ccccc14"	0	""	""	1	1	"395239"	NA
"699724"	699724	""	"CN(C)CCN1C(=O)N=C2c3cc(O)ccc3Nc4c2c1ccc4[N+](=O)[O-]"	0	NA	NA	2	2	"526560"	NA
"699725"	699725	""	"COc1ccc2Nc3c4C(=NC(=S)N(CCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	"526561"	NA
"699726"	699726	""	"COc1ccc2Nc3c4C(=NC(=S)N(CCCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	"526562"	NA
"699727"	699727	""	"CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	3	2	"526563"	NA
"699735"	699735	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one"	"Cc1ccc(C)c(COCCOCN2C=CC(=NC2=O)N)c1"	0	""	""	1	1	"395257"	NA
"699737"	699737	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione"	"Cc1ccc(C)c(COCCOCN2C=C(N3CCOCC3)C(=O)NC2=O)c1"	0	""	""	1	1	"395259"	NA
"699740"	699740	"9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cccc(c4)[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	"395262"	NA
"699743"	699743	"4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CCC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(OC)cc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	"395265"	NA
"699745"	699745	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate"	"COC(=O)CNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	"395267"	NA
"699746"	699746	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-methylbutanoate"	"COC(=O)C(NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3)C(C)C"	0	""	""	1	1	"395268"	NA
"699747"	699747	"STK771611"	"Sc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	"764370"	NA
"699750"	699750	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoate"	"COC(=O)C(NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3)C(C)C"	0	""	""	1	1	"395272"	NA
"699755"	699755	""	"COc1ccc(cc1OC)[C@H]2C=[N+]([O-])O[C@H](OC3CCCC3)[C@@H]2OC(=O)C"	0	NA	NA	1	1	"526586"	NA
"699756"	699756	""	"CC(=O)O[C@H]1[C@@H](OC2CCCC2(c3ccccc3)c4ccccc4)O[N+](=CC1C5CCCCC5)[O-]"	0	NA	NA	2	1	"526587"	NA
"699757"	699757	""	"CC(=O)O[C@H]1[C@@H](OC2CCCC2(c3ccccc3)c4ccccc4)O[N+](=C[C@@H]1c5ccccc5)[O-]"	0	NA	NA	2	1	"526588"	NA
"699758"	699758	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)C"	0	NA	NA	2	2	"526589"	NA
"699759"	699759	""	"CC(=O)O[C@@H]1CN(C[C@@H]1C2CCCCC2)S(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	"526590"	NA
"699760"	699760	""	"CC(=O)O[C@H]1CN(C[C@@H]1C2CCCCC2)S(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	"526591"	NA
"699763"	699763	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)C(C)(C)C"	0	NA	NA	2	1	"526594"	NA
"699766"	699766	"benzoic acid, 2-(2,2-diphenylcyclopentyloxy)ethenyl este..."	"O=C(O\C=C/OC1CCCC1(c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	2	2	"3005428"	NA
"699767"	699767	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)c6ccccc6"	0	NA	NA	2	2	"526598"	NA
"699769"	699769	"5-bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole"	"[O-][N+](=O)\C=C\COCc1cc2OCOc2cc1Br"	0	""	""	1	1	"5470336"	NA
"699775"	699775	""	"CC(=O)O[C@@H]1[C@H](OC2CCCCC2(c3ccccc3)c4ccccc4)O[N+](=CC15CCCCC5)[O-]"	0	NA	NA	1	1	"526606"	NA
"699776"	699776	""	"[O-][N+](=O)\C=C(/CS(=O)(=O)c1ccccc1)\c2ccc3OCOc3c2"	0	NA	NA	1	1	"526607"	NA
"699777"	699777	"5-(methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole"	"COCc1cc2OCOc2cc1\C=C\[N+](=O)[O-]"	0	""	""	1	1	"5470338"	NA
"699779"	699779	"6-tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium"	"CC(=C)CCC1CC=[N+]([O-])OC1C(C)(C)C"	0	""	""	1	1	"395298"	NA
"699781"	699781	""	"CO[C@H](C(=O)O[C@@H]1ON2CC[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1C(=O)OC)c4ccccc4"	0	NA	NA	1	1	"526612"	NA
"699782"	699782	""	"CCOC(=O)[C@@H]1ON2O[C@@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCCC4c5ccccc5"	0	NA	NA	1	1	"526613"	NA
"699783"	699783	""	"CCOC(=O)[C@@H]1ON2O[C@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCCC4c5ccccc5"	0	NA	NA	1	1	"526614"	NA
"699784"	699784	""	"CCOC(=O)[C@@H]1ON2O[C@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCC4(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"526615"	NA
"699785"	699785	"O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate"	"CCOC(=O)\C=C\C(=O)O\C=C\[N+](=O)[O-]"	0	""	""	1	1	"5470339"	NA
"699787"	699787	"1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate"	"COc1cc(c(OC(=O)\C=C\C(=O)O\C=C\[N+](=O)[O-])c(c1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"5470340"	NA
"699794"	699794	""	"OC1O[C@@H]2[C@@H](CN3[C@@H]2[C@@H]1[C@@H](O)C3=O)[Si](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"526625"	NA
"699795"	699795	"Isopropyl(2s,3s)-3-[5-(dimethyl-phenyl-silyl)-2h-oxazin-3-yl]-2,4-dihydroxy-butanoate"	"CC(C)OC(=O)[C@@H](O)[C@H](CO)C1=CC(=CON1)[Si](C)(C)c2ccccc2"	0	""	""	1	1	"395313"	NA
"699800"	699800	""	"B.CS(=O)(=O)O[C@H]1CN2C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CO"	0	NA	NA	1	1	"526631"	NA
"699801"	699801	"(3z)-3-{[3,5-Bis(trifluoromethyl)phenyl]imino}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	"CC1(C)C2CCC1(C)C(=O)/C/2=N\c3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"395319"	NA
"699804"	699804	""	"CC1(C)C2CCC1(C)C(=O)[C@H]2Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"526635"	NA
"699806"	699806	"3-(tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol"	"CC(C)(C)NC1C(O)C2(C)CCC1C2(C)C"	0	""	""	1	1	"395324"	NA
"699807"	699807	""	"CC1(C)C2CCC1(C)[C@H](O)[C@H]2Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"526638"	NA
"699816"	699816	"2-ethyl-6-methyl-3-(1-methylethyl)-1,3,2-oxazaphosphinane 2-sulfide"	"CCP1(=S)OC(C)CCN1C(C)C"	0	""	""	1	1	"395334"	NA
"699818"	699818	"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene"	"CC1(C)COC(=N1)c2cccc(C3=NC(C)(C)CO3)c2Br"	0	""	""	1	1	"395336"	NA
"699819"	699819	"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene"	"CC1(C)COC(=N1)c2cccc(c2)C3=NC(C)(C)CO3"	0	""	""	1	1	"395337"	NA
"699821"	699821	"N-[1-[2-(methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide"	"CS(=O)(=O)Nc1ccc2ccccc2c1c3c(NS(=O)(=O)C)ccc4ccccc34"	0	""	""	2	1	"395339"	NA
"699833"	699833	"Methyl 1-nonyl-4-oxopiperidine-3-carboxylate"	"CCCCCCCCCN1CCC(=O)C(C1)C(=O)OC"	0	""	""	1	1	"395351"	NA
"699837"	699837	"4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran"	"COC1CC(COCc2ccccc2)CC(OC)O1"	0	""	""	1	1	"395355"	NA
"699882"	699882	"11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride"	"C1Oc2cc3ccnc4C=CNc(c2O1)c34"	0	""	""	2	1	"395382"	NA
"699920"	699920	"BG-757"	"CCSc1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	"395384"	NA
"699921"	699921	"9-Ethylsulfinyl-2,7-dimethoxy-acridine"	"CCS(=O)c1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	2	"395385"	NA
"699923"	699923	"9-((2-Chloroethyl)thio)acridine"	"ClCCSc1c2ccccc2nc3ccccc13"	0	""	""	2	1	"395387"	NA
"699925"	699925	"9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1"	0	""	""	3	2	"395389"	NA
"699926"	699926	"9-(2-Chloroethylsulfinyl)-2,7-dimethoxy-acridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)CCCl"	0	""	""	2	1	"395390"	NA
"699927"	699927	"2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine"	"CCN(CC)CCSc1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	"395391"	NA
"699928"	699928	"2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine"	"CCN(CC)CCS(=O)c1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	"395392"	NA
"699929"	699929	"BG-832"	"COc1ccc2nc3ccc(OC)cc3c(SCCO)c2c1"	0	""	""	2	2	"395393"	NA
"699931"	699931	"3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine"	"Clc1ccc2c(SCC3CO3)c4ccccc4nc2c1"	0	""	""	2	2	"395395"	NA
"699932"	699932	"9-(Benzylthio)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(SCc4ccccc4)c2c1"	0	""	""	2	1	"395396"	NA
"699933"	699933	"9-(Benzylsulfinyl)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)Cc4ccccc4"	0	""	""	2	1	"395397"	NA
"699934"	699934	"9-[(4-Nitrophenyl)methylsulfanyl]acridine"	"[O-][N+](=O)c1ccc(CSc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	"395398"	NA
"699936"	699936	"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)Cc4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"395400"	NA
"699938"	699938	"AN-584/43502783"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)(=O)C=C"	0	""	""	2	1	"395402"	NA
"699939"	699939	"AO-476/40672119"	"FC(F)(F)c1cccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)c1"	0	""	""	1	1	"395403"	NA
"699940"	699940	"1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(Nc2c3CCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	3	2	"395404"	NA
"699943"	699943	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c4CCCc4c(Nc5ccc(Cl)cc5)n3c2cc1C"	0	""	""	1	1	"395407"	NA
"699944"	699944	"1-[(4-Fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	"395408"	NA
"699945"	699945	"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4ccc(F)cc4)n3c2cc1C)c5ccccc5"	0	""	""	1	1	"395409"	NA
"699946"	699946	"1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"FC(F)(F)c1cccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)c1"	0	""	""	1	1	"395410"	NA
"699947"	699947	"7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4cccc(c4)C(F)(F)F)n3c2cc1C)c5ccccc5"	0	""	""	1	1	"395411"	NA
"699948"	699948	"1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1ccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	"395412"	NA
"699949"	699949	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4ccc(Cl)cc4)n3c2cc1C)c5ccccc5"	0	""	""	1	1	"395413"	NA
"699950"	699950	"(2E)-2-[(4-fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(cc1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	"5470347"	NA
"699951"	699951	"(2E)-2-[(4-fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(\C=N\c4ccc(F)cc4)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	"5470348"	NA
"699952"	699952	"(2E)-2-[(4-chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1ccc(cc1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	"1817078"	NA
"699954"	699954	"(2E)-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile"	"FC(F)(F)c1cccc(c1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	"5470350"	NA
"699956"	699956	"2-[(4-fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(cc1)N=NC2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	2	2	"395420"	NA
"699957"	699957	"2-[(4-fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(N=Nc4ccc(F)cc4)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	"395421"	NA
"699959"	699959	"7,8-dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(N=Nc4cccc(c4)C(F)(F)F)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	"395423"	NA
"699960"	699960	"1-Oxo-3-phenyl-2-(1-piperidylmethyl)-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile"	"O=C1N2C(=C(C#N)C(=C1CN3CCCCC3)c4ccccc4)Nc5ccccc25"	0	""	""	1	1	"395424"	NA
"699962"	699962	"Roserine"	"COc1cc2c3CCCC4CC[n+](cc2c(OC)c1OC)c34"	0	""	""	2	1	"395426"	NA
"699968"	699968	"2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole"	"CC(=O)ON(C(=O)C)c1ccc(cc1)c2nc3ccccc3s2"	0	""	""	2	2	"395430"	NA
"699969"	699969	"2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1O)c2nc3ccccc3s2"	0	""	""	1	1	"395431"	NA
"699978"	699978	"5,8-Dimethoxy-4-methylquinoline"	"COc1ccc(OC)c2c(C)ccnc12"	0	""	""	3	3	"395433"	NA
"699980"	699980	"3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate"	"Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1"	0	""	""	1	1	"3005435"	NA
"699982"	699982	"STK170335"	"CN1C(=O)N(C)C(=O)C(=Cc2ccc(Br)cc2)C1=O"	0	""	""	1	1	"395437"	NA
"699988"	699988	"7,7-bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione"	"COc1ccc(cc1)C2C3=C(OC(N(C)C)(N(C)C)C2(F)F)N(C)C(=O)N(C)C3=O"	0	""	""	1	1	"395443"	NA
"700023"	700023	"J7X181M78Y"	"Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1"	0	""	""	1	1	"395460"	NA
"700025"	700025	"4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile"	"Cc1sc(Nc2ccccc2[N+](=O)[O-])c(C#N)c1C"	0	""	""	1	1	"395462"	NA
"700029"	700029	"2-butenoic acid, 4,4-dicyano-4-[[(5-methyl-2-thienyl)met..."	"COC(=O)\C=C/C(\N=C\c1ccc(C)s1)(C#N)C#N"	0	NA	NA	2	2	"526767"	NA
"700030"	700030	"2-butenoic acid, 4-[[(4-bromo-2-thienyl)methylene]amino]..."	"COC(=O)\C=C/C(\N=C\c1cc(Br)cs1)(C#N)C#N"	0	NA	NA	2	2	"526768"	NA
"700033"	700033	"Methyl 2-(4-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc(C#N)[nH]c1c2cc(Br)cs2"	0	""	""	2	1	"395470"	NA
"700034"	700034	"Methyl 2-(5-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc(C#N)[nH]c1c2ccc(Br)s2"	0	""	""	2	2	"395471"	NA
"700086"	700086	"17-Hydroxyjolkinolide A"	"CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34O[C@@H]3C5=C(CO)C(=O)OC5=C[C@@H]24"	0	""	""	1	1	"6712606"	NA
"700087"	700087	"Jolkinolide B"	"CC1=C2[C@H]3O[C@]34CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]4[C@H]6O[C@@]26OC1=O"	0	""	""	2	2	"161954"	NA
"700088"	700088	"17-hydroxyjolkinolide b"	"CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34O[C@@H]3C5=C(CO)C(=O)O[C@]56O[C@@H]6[C@@H]24"	0	""	""	2	1	"6712607"	NA
"700089"	700089	"diazonamide a"	"CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3O[C@@H]4Nc5c6cccc5[C@@]4(c7oc(nc7c8oc(c(Cl)n8)c9c(Cl)[nH]c%10cccc6c9%10)[C@@H](NC1=O)C(C)C)c3c2"	0	""	""	2	2	"395475"	"406216986"
"700122"	700122	"Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C1(Br)CBr"	0	""	""	1	1	"395481"	NA
"700124"	700124	"(3-bromophenyl) (E)-3-phenylprop-2-enoate"	"Brc1cccc(OC(=O)\C=C\c2ccccc2)c1"	0	""	""	1	1	"5876919"	NA
"700125"	700125	""	"O=C(\C=C\c1ccc(cc1)c2ccccc2)c3cccs3"	0	NA	NA	2	2	"526789"	NA
"700126"	700126	"4-(2-Hydroxyphenyl)-2-phenyl-1-thiophen-2-ylbutane-1,4-dione"	"Oc1ccccc1C(=O)CC(C(=O)c2cccs2)c3ccccc3"	0	""	""	2	1	"395485"	NA
"700127"	700127	"2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester..."	"Oc1ccc(\C=C\C(=O)Oc2ccccc2)cc1O"	0	""	""	2	2	"5910817"	NA
"700128"	700128	"3-Hydroxyphenyl 3-phenylacrylate"	"Oc1cccc(OC(=O)\C=C\c2ccccc2)c1"	0	""	""	1	1	"1234720"	NA
"700129"	700129	"Guaiacol cinnamate"	"COc1ccccc1OC(=O)\C=C\c2ccccc2"	0	""	""	1	1	"695688"	NA
"700132"	700132	"15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene"	"Cn1c(cc2c3ccsc3c4ccsc4c12)c5ccccc5"	0	""	""	1	1	"395490"	NA
"700133"	700133	"1-Methyl-2,3,5-tris(2-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3cccs3)c4cccs4"	0	""	""	2	2	"395491"	NA
"700136"	700136	"(2-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate"	"COc1ccc(\C=C\C(=O)Oc2ccccc2OC)cc1"	0	""	""	2	2	"5928358"	NA
"700141"	700141	"4h-pyran-4-one, 2-(hydroxymethyl)-5-[[(4-methylphenyl)su..."	"Cc1ccc(cc1)S(=O)(=O)OC2=COC(=CC2=O)CO"	0	""	""	2	2	"395499"	NA
"700144"	700144	"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione"	"COc1ccc(cc1)C(=C2C(=O)N(C(=O)C2=C(C)C)c3ccccc3)c4ccc(OC)cc4"	0	""	""	3	2	"395502"	NA
"700145"	700145	""	"OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)C(O)C(O)C1O"	0	NA	NA	1	1	"526809"	NA
"700147"	700147	"Ethyl 4,7-diacetoxybenzothiophene-2-carboxylate"	"CCOC(=O)c1cc2c(OC(=O)C)ccc(OC(=O)C)c2s1"	0	""	""	2	2	"395505"	NA
"700149"	700149	"2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate"	"COCOc1ccc(C(=O)Oc2cccc3OC(C)(C)Oc23)c(OCOC)c1"	0	""	""	1	1	"395507"	NA
"700199"	700199	"1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone"	"CC(=O)c1ccc(s1)c2oc(cc2c3ccc4OCOc4c3)c5ccccc5"	0	""	""	1	1	"395509"	NA
"700200"	700200	"5-Phenyl-2,3-bis(2-thienyl)thiophene"	"c1ccc(cc1)c2cc(c3cccs3)c(s2)c4cccs4"	0	""	""	1	1	"395510"	NA
"700201"	700201	"2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene"	"CCCCc1ccc(C#CC#Cc2ccc(CCCC)s2)s1"	0	""	""	1	1	"395511"	NA
"700202"	700202	"2-(2-Furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3occc3)c4cccs4"	0	""	""	2	2	"395512"	NA
"700203"	700203	"2-Bromochalcone"	"Brc1ccccc1\C=C\C(=O)c2ccccc2"	0	""	""	2	2	"5918180"	NA
"700205"	700205	""	"O=C(\C=C\c1ccsc1)c2ccccc2"	0	NA	NA	2	2	"526821"	NA
"700206"	700206	""	"O=C(\C=C\c1ccccc1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	"526822"	NA
"700208"	700208	""	"Clc1ccccc1\C=C\C2(OCCO2)c3ccccc3"	0	NA	NA	1	1	"526824"	NA
"700211"	700211	"(E)-1-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	"5470362"	NA
"700213"	700213	"4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione"	"O=C(CC(C(=O)c1cccs1)c2ccsc2)c3occc3"	0	""	""	1	1	"395523"	NA
"700214"	700214	"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-3-ylbutane-1,4-dione"	"O=C(CC(C(=O)c1ccsc1)c2ccc3OCOc3c2)c4ccccc4"	0	""	""	1	1	"395524"	NA
"700215"	700215	"2,4-Diphenyl-1-thiophen-3-ylbutane-1,4-dione"	"O=C(CC(C(=O)c1ccsc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"395525"	NA
"700221"	700221	"1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole"	"COc1ccc(cc1)n2c(cc(c3cccs3)c2c4cccs4)c5ccccc5"	0	""	""	1	1	"395531"	NA
"700222"	700222	"X4145"	"c1csc(c1)c2ccsc2c3cccs3"	0	""	""	1	1	"395532"	NA
"700224"	700224	"Q27121899"	"c1csc(c1)c2csc(c2)c3cccs3"	0	""	""	1	1	"395533"	NA
"700225"	700225	"2,3:4,2-TErthiophene"	"c1csc(c1)c2cscc2c3cccs3"	0	""	""	1	1	"395534"	NA
"700226"	700226	"Q27121895"	"c1csc(c1)c2ccc(s2)c3ccsc3"	0	""	""	2	1	"395535"	NA
"700228"	700228	"4-(2-Thienyl)-2-(3-thienyl)thiophene"	"c1csc(c1)c2csc(c2)c3ccsc3"	0	""	""	2	1	"395537"	NA
"700230"	700230	"Q27121894"	"c1cc(cs1)c2ccsc2c3ccsc3"	0	""	""	2	1	"395539"	NA
"700231"	700231	"Q27121897"	"c1csc(c1)c2ccsc2c3ccsc3"	0	""	""	1	1	"395540"	NA
"700232"	700232	"Y7O1CPR2TH"	"c1cc(cs1)c2cscc2c3ccsc3"	0	""	""	1	1	"184440"	NA
"700243"	700243	"1-Methyl-3,5-bis(2-thienyl)-2-(3-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3ccsc3)c4cccs4"	0	""	""	1	1	"395550"	NA
"700244"	700244	"J3.529.118K"	"O=C(\C(=C\c1cccs1)\c2ccccc2)c3ccccc3"	0	""	""	1	1	"5934664"	NA
"700245"	700245	"1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole"	"Cn1c(cc(c2ccccc2)c1c3cccs3)c4cccs4"	0	""	""	1	1	"395552"	NA
"700252"	700252	"meso-2,6-diaminopimelyl-(d)-methyl ester-(l)-l-alanyl-d-..."	"COC(=O)C(N)CCCC(N)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	"54608848"	NA
"700261"	700261	"N'-[(E)-[(2S)-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4ccccc4N2"	0	""	""	1	1	"135505170"	NA
"700262"	700262	"N'-[(E)-[(6S)-6-(3-methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4cc5OCOc5cc4N2"	0	""	""	1	1	"135505171"	NA
"700264"	700264	"N'-[(E)-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4ccccc4N2"	0	""	""	3	1	"135505172"	NA
"700265"	700265	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6,7-dihydro-6-(3-m..."	"COc1cccc(c1)[C@H]2CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"395559"	NA
"700266"	700266	"4(1h)-quinolinone, 2-(3-chlorophenyl)-2,3-dihydro-6-(1-p..."	"Clc1cccc(c1)C2CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	"395560"	NA
"700267"	700267	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-(3-fluorophenyl)..."	"Fc1cccc(c1)C2CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	"395561"	NA
"700268"	700268	"4(1h)-quinolinone, 2,3-dihydro-2-(3-methoxyphenyl)-6-(1-..."	"COc1cccc(c1)C2CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	"395562"	NA
"700269"	700269	"1,3-dioxolo[4,5-g]quinolin-8(5h)-thione, 6-(2-fluorophen..."	"Fc1ccccc1C2=CC(=S)c3cc4OCOc4cc3N2"	0	""	""	2	2	"3910131"	NA
"700270"	700270	"1,3-dioxolo[4,5-g]quinolin-8(5h)-thione, 6-[3-(dimethyla..."	"CN(C)c1cccc(c1)C2=CC(=S)c3cc4OCOc4cc3N2"	0	""	""	2	2	"5168079"	NA
"700272"	700272	"6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3sccc3C"	0	""	""	2	2	"395566"	NA
"700274"	700274	"1,3-dioxolo[4,5-g]quinolin-8(5h)-one, 6-(2-fluorophenyl)..."	"OC1C(Nc2cc3OCOc3cc2C1=O)c4ccccc4F"	0	""	""	2	2	"395568"	NA
"700280"	700280	"4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol"	"CC1=CC(=O)Nc2c3C=CC(C)(C)Oc3ccc12"	0	""	""	2	2	"395574"	NA
"700320"	700320	"tritert-butyl[?]triol"	"CC(C)(C)c1cc2COCc3cc(cc(COCc4cc(cc(COCc(c1)c2O)c4O)C(C)(C)C)c3O)C(C)(C)C"	0	""	""	1	1	"395590"	NA
"700322"	700322	"trichloro[?]triol"	"Oc1c2COCc3cc(Cl)cc(COCc4cc(Cl)cc(COCc1cc(Cl)c2)c4O)c3O"	0	""	""	1	1	"395592"	NA
"700323"	700323	"acetic acid, 2,2',2''-[25,26,27-trihydroxy-7,15,23- trim..."	"COC(=O)CN1Cc2cc(C)cc(CN(CC(=O)OC)Cc3cc(C)cc(CN(CC(=O)OC)Cc4cc(C)cc(C1)c4O)c3O)c2O"	0	""	""	2	2	"395593"	NA
"700325"	700325	"Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),22,24,29(33),30-dodecaen-3-yl]acetate"	"COC(=O)CN1Cc2cc(C)cc(CN(CC(=O)OC)Cc3cc(C)cc(CN(CC(=O)OC)Cc4cc(C)cc(CN(CC(=O)OC)Cc5cc(C)cc(C1)c5O)c4O)c3O)c2O"	0	""	""	2	2	"395595"	NA
"700332"	700332	"Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-"	"CCS(=O)C(=O)N(O)c1ccc(Cl)cc1"	0	""	""	1	1	"395596"	NA
"700346"	700346	"(1s)-1-[3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-2,2-dimethyl-cyclobutyl]ethanol"	"C[C@H](O)C1CC(Cn2nnc3c(N)ncnc23)C1(C)C"	0	""	""	1	1	"395601"	NA
"700349"	700349	"{(1r,3s)-3-[(2-Amino-6-chloro-9h-purin-9-yl)methyl]-1,2,2-trimethylcyclopentyl}methanol"	"CC1(C)[C@@H](Cn2cnc3c(Cl)nc(N)nc23)CC[C@@]1(C)CO"	0	""	""	1	1	"395604"	NA
"700350"	700350	"2-Amino-9-{[(1s,3r)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}-9h-purin-6-ol"	"CC1(C)[C@@H](Cn2cnc3C(=O)NC(=Nc23)N)CC[C@@]1(C)CO"	0	""	""	1	1	"135426587"	NA
"700351"	700351	"[(1r,3s)-3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol"	"CC1(C)[C@@H](Cn2nnc3c(N)ncnc23)CC[C@@]1(C)CO"	0	""	""	1	1	"395606"	NA
"700361"	700361	"pyrazine-2,3-dicarbonitrile, 5,6-bis(5-methyl-1,3,4-thia..."	"Cc1nnc(Sc2nc(C#N)c(nc2Sc3nnc(C)s3)C#N)s1"	0	""	""	2	2	"395616"	NA
"700363"	700363	"Annamycin Liposomal"	NA	0	NA	NA	2	2	"526933"	NA
"700367"	700367	"Homohalichondrin B diacetate 19,26-tetraol"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@H]6[C@H](C)[C@H]7OC(=O)CC8CC[C@H]9OC%10[C@@H]%11OC%12C[C@@](CC[C@H]%13CC(O)(CO)[C@H](CC[C@H]%14C[C@@H](C)C(O)(CO)C(C[C@@H]7O[C@H]6C[C@H]5O4)O%14)O%13)(O[C@H]%10%12)O[C@H]%11[C@H]9O8)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(COC(=O)C)OC(=O)C"	0	""	""	2	2	"5470371"	NA
"700368"	700368	"norhomohalichondrin B"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(CO)C[C@H]%16O[C@@H]1%15"	0	""	""	2	2	"395619"	NA
"700369"	700369	"Homohalichondrin B diacetate 19,26-diketone"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=O)C[C@@H](C)C8=O)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(COC(=O)C)OC(=O)C"	0	""	""	2	2	"395620"	NA
"700370"	700370	""	"COC(=O)C[C@H]1CC[C@@H]2OC3[C@@H]4OC5C[C@@](CC[C@H]6CC(=C)[C@H](CC[C@H]7C[C@@H](C)C(=C)C(C[C@@H]8O[C@H]9C[C@H]%10O[C@]%11(C[C@H]%10O[C@H]9[C@H](C)[C@H]8O)C[C@@H]%12O[C@]%13(C[C@H](C)[C@@H]%14O[C@@H]%15CC(O[C@@H]%15C[C@@H]%14O%13)C(O)CO)C[C@H](C)[C@@H]%12O%11)O7)O6)(O[C@H]35)O[C@H]4[C@H]2O1"	0	""	""	2	2	"395621"	NA
"700371"	700371	"Homohalichondrin B aldehyde"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C=O"	0	""	""	2	2	"395622"	NA
"700373"	700373	"Homohalichondrin B 26-diol"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8(O)CO)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(O)CO"	0	""	""	2	2	"395624"	NA
"700414"	700414	"isoindolo[1,2-b]quinazolin-12-ol, 12-(4-chlorophenyl)-10..."	"OC1(N2Cc3ccccc3N=C2c4ccccc14)c5ccc(Cl)cc5"	0	""	""	2	1	"395630"	NA
"700415"	700415	"6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol"	"OC1(N2CCCN=C2c3ccccc13)c4cccc(OCC=C)c4"	0	""	""	2	1	"395631"	NA
"700417"	700417	"13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol"	"OC1(N2Cc3ccccc3CN=C2c4ccccc14)c5ccc(Cl)cc5"	0	""	""	2	1	"395635"	NA
"700418"	700418	"LS-77867"	"OC1(N2CCN=C2c3ccccc13)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"395636"	NA
"700420"	700420	"2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol"	"CC1(C)CN=C(N1)c2ccc3ccccc3c2O"	0	""	""	1	1	"395638"	NA
"700421"	700421	""	"Oc1c(ccc2ccccc12)C3=N[C@H]4CCCC[C@@H]4N3"	0	NA	NA	2	1	"526952"	NA
"700430"	700430	"2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione"	"CC1(N(CCCN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14)c5ccc(Cl)cc5"	0	""	""	1	1	"395648"	NA
"700443"	700443	"7h-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-oc..."	"C(CCCCc1nnc2SCC(=Nn12)c3ccccc3)CCCc4nnc5SCC(=Nn45)c6ccccc6"	0	""	""	2	1	"395661"	NA
"700447"	700447	"2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol"	"Oc1ccccc1c2nn3c(CCCCCCCCc4nnc5sc(nn45)c6ccccc6O)nnc3s2"	0	""	""	2	2	"395665"	NA
"700455"	700455	"quinoline-3,3,4,4-tetracarbonitrile, 2-(4-bromophenyl)-1..."	"Brc1ccc(cc1)C2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N"	0	""	""	2	2	"395673"	NA
"700457"	700457	"2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile"	"CCOC1(OCC)N=C(N)C2(C#N)C1(C#N)C23C(=NN(C(C)C)C3=O)C"	0	""	""	1	1	"395675"	NA
"700470"	700470	"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide"	"N\C(=C(\C#N)/C(=O)Nc1ccc(Cl)cc1)\N2CCCC2"	0	""	""	1	1	"3005444"	NA
"700474"	700474	"4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile"	"O=C1N(C=NC(=C1C#N)N2CCOCC2)c3ccccc3"	0	""	""	1	1	"395690"	NA
"700497"	700497	"9h-azetidino[1,2-a]pyrrolo[3,2-c]azepin-8(7h)-one, 3,4,5..."	"CSC12C(Oc3ccccc3)C(=O)N1CC(C)(C)Cc4c2cc(C)n4c5ccc(I)cc5"	0	""	""	2	2	"395702"	NA
"700498"	700498	"7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one"	"CSC12C(Oc3ccccc3)C(=O)N1CC(C)(C)Cc4c2cc(C)n4c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"395703"	NA
"700500"	700500	"2-methylaminoestra-2,5(10)-dien-1,4,17-trione"	"CNC1=CC(=O)C2=C([C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2)C1=O"	0	NA	NA	2	2	"527018"	NA
"700501"	700501	"10.beta.-hydroxy-17.beta.-acetoxyestra-1,4-dien-3-one"	"CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(O)[C@H]3CC[C@]12C"	0	NA	NA	2	2	"527019"	NA
"700502"	700502	"4'-phenylthio-avarone"	"C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)CC3=CC(=O)C(=CC3=O)Sc4ccccc4"	0	NA	NA	1	1	"527020"	NA
"700503"	700503	"4'-isobutylthio-avarone"	"CC(C)CSC1=CC(=O)C(=CC1=O)C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC=C3C"	0	NA	NA	2	1	"527021"	NA
"700504"	700504	"3',4'-Ethylendithio-avarone"	"C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)CC3=CC(=O)C4SCCSC4C3=O"	0	""	""	1	1	"6712611"	NA
"700515"	700515	"dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate"	"COP(=O)(OC)OCN(C)CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C"	0	""	""	1	1	"5470378"	NA
"700520"	700520	"1,8-naphthyridine-3-carboxylic acid, 2-chloro-7-[(1-oxop..."	"CCCCC(=O)Nc1ccc2cc(C(=O)OC)c(Cl)nc2n1"	0	""	""	2	2	"395721"	NA
"700524"	700524	"6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene"	"Brc1ccc2CCc3cc4cc5CCc6ccc(Br)cc6c5nc4nc3c2c1"	0	""	""	1	1	"395725"	NA
"700531"	700531	"6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene"	"Brc1ccc2CCc3cc4CCc5ccc(Br)cc5c4nc3c2c1"	0	""	""	1	1	"395732"	NA
"700535"	700535	"Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate"	"COC(=O)c1cc(cc(c1)c2ccc3CCc4c(nc5c(CCc6ccc(cc56)c7cc(cc(c7)C(=O)OC)C(=O)OC)c4c8ccc(OC)cc8)c3c2)C(=O)OC"	0	""	""	1	1	"395735"	NA
"700536"	700536	"3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxo-propanenitrile"	"Brc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(Br)cc5)cc(OCc6ccc(Br)cc6)c4)cc(c3)C(=O)CC#N)cc(OCc7ccc(Br)cc7)c2)cc1"	0	""	""	1	1	"395736"	NA
"700537"	700537	"2,2-dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide"	"CC(C)(C)C(=O)Nc1cccc(n1)c2ccc[nH]2"	0	""	""	2	1	"395737"	NA
"700545"	700545	"1h-phenanthro[9,10-d]imidazole, 4,11-dimethoxy-"	"COc1cccc2c3cccc(OC)c3c4[nH]cnc4c12"	0	""	""	2	2	"395745"	NA
"700546"	700546	"4,5-Bis(2-methoxyphenyl)-1H-imidazole"	"COc1ccccc1c2nc[nH]c2c3ccccc3OC"	0	""	""	1	1	"395746"	NA
"700547"	700547	"4-methoxy-3H-phenanthro[9,10-d]imidazole"	"COc1cccc2c3ccccc3c4nc[nH]c4c12"	0	""	""	2	1	"395747"	NA
"700549"	700549	"8-quinolinone, 2-chloro-5,6,7,8-tetrahydro-7-(phenylmeth..."	"Clc1ccc2CC\C(=C/c3ccccc3)\C(=O)c2n1"	0	""	""	2	2	"5470385"	NA
"700552"	700552	"4-quinolinone, 6-bromo-1,2,3,4-tetrahydro-1-[(4-methylph..."	"Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3cc(Br)ccc23"	0	""	""	2	2	"395752"	NA
"700559"	700559	"Ptilomycalin A format salt"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	"395755"	NA
"700582"	700582	"[1,2,3,4]tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit..."	"CCCCN1C(=S)N(CCCC)C2=C1SSSSC3=C2N(CCCC)C(=S)N3CCCC"	0	""	""	2	2	"395763"	NA
"700583"	700583	"[1,4,2,3]-dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-d..."	"CCCCN1C(=S)N(CCCC)C2=C1S[Se][Se]SC3=C2N(CCCC)C(=S)N3CCCC"	0	""	""	2	2	"395764"	NA
"700584"	700584	"[1,4,2,3]-dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-d..."	"CCCCN1C(=[Se])N(CCCC)C2=C1S[Se][Se]SC3=C2N(CCCC)C(=[Se])N3CCCC"	0	""	""	2	2	"395765"	NA
"700642"	700642	"1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea"	"Cn1nc(cc1NC(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-])C(=O)N6CC(CCl)c7c6cc(c8ccccc78)[N+](=O)[O-]"	0	""	""	1	1	"395798"	NA
"700643"	700643	"[6-amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone"	"COc1cc(OCCN(C)C)c2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	"395799"	NA
"700644"	700644	"[6-amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	"395800"	NA
"700648"	700648	"stellettamide b"	"C[C@H](CCC=C(C)C)\C=C\C=C(/C)\C(=O)CC[C@@H]1CC[N@+]2(C)CCCC[C@H]12"	0	NA	NA	1	1	"527117"	NA
"700649"	700649	"Tacacoside A2"	"CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)C[C@@H]5C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)[C@@](C)(CO)[C@@H]9CC[C@@]8(C)[C@]7(C)CC6)C(O)C3OC%12OCC(O)C(O)C%12O)C2O)C(O)C(O)C1O"	0	NA	NA	2	1	"527118"	NA
"700650"	700650	"Tacacoside B1"	"CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)C[C@@H]5C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)[C@@H]9CC[C@@]8(C)[C@]7(C)CC6)C(O)C3OC%11OCC(O)(CO)C%11O)C2O)C(O)C(O)C1O"	0	NA	NA	2	1	"527119"	NA
"700657"	700657	"Trapoxin B"	"O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H]5CO5"	0	""	""	2	2	"395803"	"133155905"
"700693"	700693	"indolo[3,2-d][1]benzazepin-6(5h)-one, 9-bromo-7,12-dihyd..."	"COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)c2cc1OC"	0	""	""	2	2	"395805"	NA
"700694"	700694	"6-methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine"	"COc1ccc2nc3[nH]nc(N)c3nc2c1"	0	""	""	2	2	"395806"	NA
"700701"	700701	"bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone"	"Oc1ccccc1\C=N\c2ccc(cc2)C(=O)c3ccc(cc3)\N=C\c4ccccc4O"	0	""	""	1	1	"395813"	NA
"700715"	700715	"[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate"	"CCN(CC)C(=S)SNCc1ccc(cc1)S(=O)(=O)N"	0	""	""	2	1	"395823"	NA
"700718"	700718	"LS-158852"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nnc(s2)S(=O)(=O)N"	0	""	""	1	1	"395826"	NA
"700722"	700722	"2-[[2-(p-Tolylsulfonylcarbamoylamino)acetyl]amino]acetic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O"	0	""	""	2	1	"395830"	NA
"700844"	700844	"6,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid"	"Oc1c(Cl)c(Cl)c(c2cccnc12)S(=O)(=O)O"	0	""	""	3	2	"395841"	NA
"700850"	700850	"Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C)C(=S)n2c1nc3ccccc23"	0	""	""	1	1	"395847"	NA
"700851"	700851	"Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(CC)C(=O)n2c1nc3ccccc23"	0	""	""	1	1	"395848"	NA
"700853"	700853	"Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C(=S)n2c1nc3ccccc23)c4ccccc4"	0	""	""	2	1	"395850"	NA
"700854"	700854	"Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C(=S)n2c1nc3ccccc23)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"395851"	NA
"700861"	700861	"4h-cyclopenta[c]thiophen-4-one, 1,3-dichloro-"	"Clc1sc(Cl)c2C(=O)C=Cc12"	0	""	""	2	2	"395859"	NA
"700862"	700862	"4h-cyclopenta[c]thiophen-4-one, 1,3-dichloro- 5,6-dihydr..."	"OC1CC(=O)c2c(Cl)sc(Cl)c12"	0	""	""	2	2	"395860"	NA
"700892"	700892	"Pinnatin B"	"CC(=O)O[C@H]1[C@@H](CCC2=C[C@H](OC2=O)[C@@]3(C)C[C@@H]3C(=O)\C=C(\C)/C1=O)C(=C)C"	0	""	""	2	2	"5470399"	NA
"700893"	700893	"Austocystin D"	"CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4c(O[C@H]5OC=C[C@@]45O)cc3Oc12"	0	""	""	2	2	"5470400"	"55256536"
"700906"	700906	"[1-methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]p..."	"CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCS(=O)(=O)OC)cn2C)cn1C"	0	""	""	2	2	"395869"	NA
"700911"	700911	"5,13,14,15-Tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-one"	"COc1ccc2c(c1)C(=O)CCc3cc(OC)c(OC)c(OC)c23"	0	""	""	2	2	"395870"	NA
"700913"	700913	"N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide"	"COc1c2C3=CC=C(SC)C(=O)C=C3[C@H](CCc2cc4nc5ccccc5nc14)NC(=O)C"	0	""	""	2	2	"395872"	NA
"700914"	700914	"N-[(17S)-12-methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c4nc5ccccc5nc14)SC"	0	""	""	2	2	"395873"	NA
"700915"	700915	"4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)C(=O)N[C@H]5CCc6cc(OC)c(OC)c(OC)c6C7=CC=C(SC)C(=O)C=C57)c8cc9OCOc9cc28"	0	""	""	1	1	"395874"	NA
"700970"	700970	"Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate"	"COC(=O)C1(C)OC(=NC1(C(=O)OC)C(=O)OC)C"	0	""	""	2	1	"395875"	NA
"700971"	700971	"5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate"	"CCOC(=O)C1(OC(=NC1(C(=O)OC)C(=O)OC)C)C(=O)OCC"	0	""	""	2	1	"395876"	NA
"700985"	700985	"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole-6-carboxylate"	"CCOC(=O)c1ccc2c(c1)nc3CSC(c4c(F)cccc4F)n23"	0	""	""	1	1	"395890"	NA
"700989"	700989	"1-(2,6-Dichlorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline"	"Clc1cccc(Cl)c1C2SCC3=Nc4ccccc4CN23"	0	""	""	1	1	"395894"	NA
"700993"	700993	"1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline"	"C1SC(N2Cc3ccccc3N=C12)c4ccccc4"	0	""	""	1	1	"395898"	NA
"701002"	701002	"1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	"Fc1cccc(F)c1C2SCc3nc4ccc(cc4n23)C(=O)c5ccccc5"	0	""	""	2	1	"395907"	NA
"701004"	701004	"1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	"Clc1cccc(Cl)c1C2SCc3nc4ccc(cc4n23)C(=O)c5ccccc5"	0	""	""	2	2	"395909"	NA
"701008"	701008	"1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole"	"Fc1ccc2nc3CSC(c4c(Cl)cccc4Cl)n3c2c1"	0	""	""	1	1	"395913"	NA
"701012"	701012	"NE42197"	"Nc1c(nnc2ccccc12)C#N"	0	""	""	1	1	"395917"	NA
"701013"	701013	"(4-Aminocinnolin-3-yl)-phenyl-methanone"	"Nc1c(nnc2ccccc12)C(=O)c3ccccc3"	0	""	""	1	1	"395918"	NA
"701014"	701014	"2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile"	"Nc1ccccc1Sc2nc(N)c(C#N)c(c3ccccc3)c2C#N"	0	""	""	1	1	"395919"	NA
"701016"	701016	"DNDI1417002"	"Nc1nc2[nH]nc(N)c2c(c3ccccc3)c1C#N"	0	""	""	2	2	"395921"	NA
"701017"	701017	"STK335726"	"Nc1nc2[nH]nc(N)c2c(c3ccc(Cl)cc3)c1C#N"	0	""	""	2	2	"395922"	NA
"701018"	701018	"2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile"	"COc1ccc(cc1)c2c(C#N)c(N)nc(Sc3ccccc3N)c2C#N"	0	""	""	2	2	"395923"	NA
"701019"	701019	"11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile"	"Cc1cc(C)n2nc3nc(N)c(C#N)c(c4ccccc4)c3c2n1"	0	""	""	2	1	"395924"	NA
"701021"	701021	"8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile"	"Oc1nc2nn3c4ccc5ccccc5c4nnc3c2c(c6ccc(Cl)cc6)c1C#N"	0	""	""	2	1	"135426590"	NA
"701022"	701022	"6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile"	"Nc1c(nnc2c3c(c4ccc(Cl)cc4)c(C#N)c(O)nc3nn12)C#N"	0	""	""	2	2	"135426591"	NA
"701023"	701023	"aceanthryleno[1,2-b]quinoxaline, 12-nitro-"	"[O-][N+](=O)c1ccc2nc3c4cccc5cc6ccccc6c(c3nc2c1)c45"	0	""	""	2	2	"395928"	NA
"701024"	701024	"3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione"	"O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccc7cc8ccccc8c(c5nc34)c67"	0	""	""	2	2	"395929"	NA
"701025"	701025	"Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-"	"NN=C1c2ccccc2C(=C(C#N)C#N)c3ccccc13"	0	""	""	2	1	"395930"	NA
"701027"	701027	"N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide"	"O=C(N\N=C/1\C(=O)c2c3ccccc3cc4cccc1c24)c5ccccc5"	0	""	""	2	1	"9572075"	NA
"701028"	701028	"3-chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide"	"Clc1cccc(c1)C(=O)N\N=C/2\C(=O)c3c4ccccc4cc5cccc2c35"	0	""	""	1	1	"5955340"	NA
"701029"	701029	"4-methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide"	"Cc1ccc(cc1)C(=O)N\N=C/2\C(=O)c3c4ccccc4cc5cccc2c35"	0	""	""	2	2	"9572076"	NA
"701031"	701031	"(4-Aminocinnolin-3-yl)-(2,4,6-trimethylphenyl)methanone"	"Cc1cc(C)c(C(=O)c2nnc3ccccc3c2N)c(C)c1"	0	""	""	1	1	"395936"	NA
"701069"	701069	"CBDivE_005484"	"CCN(CC)c1ccc2C=C(C(=O)N)C(=N)Oc2c1"	0	""	""	1	1	"395945"	NA
"701074"	701074	"STK805697"	"CCCCCCc1cc2C=C(C(=O)Nc3ccccc3)C(=N)Oc2cc1O"	0	""	""	2	2	"135426592"	NA
"701075"	701075	"2-imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)Nc3ccccc3)C(=N)Oc12"	0	""	""	1	1	"395951"	NA
"701089"	701089	"N-cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)NC3CCCCC3)C(=N)Oc12"	0	""	""	1	1	"395965"	NA
"701097"	701097	"IFLab1_004437"	"COc1ccc(cc1)\N=C/2\Oc3ccccc3C=C2C(=O)N"	0	""	""	1	1	"395973"	NA
"701100"	701100	"2h-1-benzopyran-2-one, 6-chloro-3-[imidazo[1,2-a]pyridin..."	"Clc1ccc2OC(=O)C(=Cc2c1)c3cn4ccccc4n3"	0	""	""	2	2	"395976"	NA
"701101"	701101	"STK075040"	"Clc1ccc2nc(cn2c1)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	"395977"	NA
"701102"	701102	"2h-1-benzopyran-2-one, 6-chloro-3-[6-chloroimidazo[1,2-a..."	"Clc1ccc2OC(=O)C(=Cc2c1)c3cn4cc(Cl)ccc4n3"	0	""	""	2	2	"395978"	NA
"701103"	701103	"ChemDiv3_000752"	"O=C1Oc2ccccc2C=C1c3cn4c5ccccc5sc4n3"	0	""	""	1	1	"395979"	NA
"701104"	701104	"F0803-0097"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4c5ccccc5sc4n3"	0	""	""	2	2	"5470407"	NA
"701105"	701105	"STK057163"	"COc1ccc2OC(=O)C(=Cc2c1)c3cc4c5cc(OC)ccc5OC(=O)c4c(C)n3"	0	""	""	1	1	"395981"	NA
"701108"	701108	"IFLab1_000623"	"Fc1ccc(Nc2nc(cs2)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	2	1	"395984"	NA
"701109"	701109	"3-[2-[(3,5-Dichlorophenyl)amino]thiazol-4-yl]chromen-2-one"	"Clc1cc(Cl)cc(Nc2nc(cs2)C3=Cc4ccccc4OC3=O)c1"	0	""	""	2	2	"395985"	NA
"701111"	701111	"2-Benzooxazol-2-yl-benzo[f]chromen-3-one"	"O=C1Oc2ccc3ccccc3c2C=C1c4oc5ccccc5n4"	0	""	""	2	1	"395987"	NA
"701114"	701114	"STL368389"	"COc1ccc2OC(=O)C(=Cc2c1)c3nc4ccccc4s3"	0	""	""	2	1	"395990"	NA
"701115"	701115	"STK863043"	"O=C1Oc2ccc3ccccc3c2C=C1c4nc5ccccc5s4"	0	""	""	2	1	"395991"	NA
"701169"	701169	"(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride"	"Nc1ncnc2c1ncn2[C@@H]3C[C@H](NO)[C@@H](O)[C@H]3O"	0	""	""	1	1	"395996"	NA
"701186"	701186	"[(8R)-13,14,15-trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate"	"COc1cc2CC[C@@H](OC(=O)c3ccccc3)c4cc(SC)ccc4c2c(OC)c1OC"	0	""	""	2	2	"396011"	NA
"701187"	701187	"1,8-naphthyridin-4(1h)-one, 7-methyl-2-(5-methyl-2-thien..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(C)s3"	0	""	""	2	2	"5470409"	NA
"701188"	701188	"1,8-naphthyridin-4(1h)-one, 7-methyl-2-(3-methyl-2-thien..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3sccc3C"	0	""	""	2	2	"5470410"	NA
"701189"	701189	"7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccs3"	0	""	""	2	2	"5470411"	NA
"701190"	701190	"7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccsc3"	0	""	""	2	2	"5470412"	NA
"701191"	701191	"7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cc(C)sc3C"	0	""	""	2	2	"5470413"	NA
"701192"	701192	"7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(Cl)s3"	0	""	""	2	2	"5470414"	NA
"701193"	701193	"7-Amino-2-(5-bromo-2-thienyl)-1h-1,8-naphthyridin-4-one"	"Nc1ccc2C(=O)C=C(Nc2n1)c3ccc(Br)s3"	0	""	""	2	2	"396018"	NA
"701194"	701194	"7-Amino-2-(2-thienyl)-1h-1,8-naphthyridin-4-one"	"Nc1ccc2C(=O)C=C(Nc2n1)c3cccs3"	0	""	""	2	2	"396019"	NA
"701208"	701208	"1-N,4-N-bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide"	"CN1N(C(=O)C(=C1C)\C=N/NC(=S)N2CCN(CC2)C(=S)N\N=C/C3=C(C)N(C)N(C3=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"6371863"	NA
"701225"	701225	"(8R,9S,13S,14S,16E)-3-methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5cc(OC)c(OC)c(OC)c5)\C4=O)[C@@H]3CCc2c1"	0	""	""	1	1	"5470418"	NA
"701226"	701226	"(8R,9S,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5ccc(OC)c(OC)c5)\C4=O)[C@@H]3CCc2c1"	0	""	""	1	1	"5470419"	NA
"701228"	701228	"(8R,9S,13S,14S,16E)-13-methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(OCCN6CCCC6)ccc5[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	"5470421"	NA
"701303"	701303	"Rubrolide A"	"Oc1c(Br)cc(\C=C\2/OC(=O)C=C2c3cc(Br)c(O)c(Br)c3)cc1Br"	0	""	""	1	1	"6055630"	NA
"701312"	701312	"1h,3h-thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6-fluoro..."	"COc1ccc2c(c1)nc3CSC(c4c(F)cccc4Cl)n23"	0	""	""	2	2	"396040"	NA
"701314"	701314	"1h,3h-thiazolo[3,4-a]benzimidazole, 1-(2,6-dichloropheny..."	"COc1ccc2c(c1)nc3CSC(c4c(Cl)cccc4Cl)n23"	0	""	""	2	2	"396042"	NA
"701371"	701371	"6-[4-[(7-Chloro-4-quinolyl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1h-pyridine-3-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	"396044"	NA
"701372"	701372	"6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one"	"COc1ccc(cc1)C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	"396045"	NA
"701373"	701373	"3-pyridinecarbonitrile, 6-[4-[(7-chloro-4-quinolinyl)ami..."	"COc1ccc(C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)c6ccccc16"	0	""	""	2	2	"396046"	NA
"701374"	701374	"2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]pyridine-3-carbonitrile"	"Clc1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	"396047"	NA
"701375"	701375	"3-pyridinecarbonitrile, 6-[4-[(7-chloro-4-quinolinyl)ami..."	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	3	2	"396048"	NA
"701378"	701378	"3-pyridinecarbonitrile, 4-(4-chlorophenyl)- 6-[4-[[7-(tr..."	"FC(F)(F)c1ccc2c(Nc3ccc(cc3)C4=CC(=C(C#N)C(=O)N4)c5ccc(Cl)cc5)ccnc2c1"	0	""	""	2	2	"396051"	NA
"701382"	701382	"2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile"	"FC(F)(F)c1ccc2c(Nc3ccc(cc3)C4=CC(=C(C#N)C(=N)N4)c5ccc(Cl)cc5)ccnc2c1"	0	""	""	1	1	"396055"	NA
"701383"	701383	"2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]pyridine-3-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(ccc45)C(F)(F)F)cc3"	0	""	""	2	2	"396056"	NA
"701389"	701389	"1,3-dioxolo[4,5-g]quinoline-5-carboxylic acid, 6-(2-fluo..."	"CC(C)(C)OC(=O)N1C(=CC(=O)c2cc3OCOc3cc12)c4ccccc4F"	0	""	""	2	2	"396059"	NA
"701554"	701554	"Seliciclib"	"CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1"	0	"PK:STK,CDK,CDK2,CDK7,CDK9"	"Clinical trial"	2	1	"160355"	"186692466"
"701555"	701555	"2,3-dihydro-1,2-syn-3-[phenylseleno]brefeldin a"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]c3ccccc3"	0	""	""	2	2	"10982991"	NA
"701556"	701556	"2,3-dihydro-1,2-syn-3-[benzylseleno]brefeldin a"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]Cc3ccccc3"	0	""	""	2	2	"10874069"	NA
"701557"	701557	"2,3-dihydro-1,2-syn-3-[4'-chlorophenylseleno]brefeldin a"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]c3ccc(Cl)cc3"	0	""	""	2	1	"10906804"	NA
"701561"	701561	"8h-5,8-methano-1,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epo..."	"COc1cc(cc(OC)c1OC)[C@@]23OC[C@H]4[C@@H]2CO[C@H]4c5cc6OCOc6cc35"	0	""	""	2	2	"6712626"	NA
"701564"	701564	"5,8-methano-1,3-dioxolo[4,5-h][2]benzoxepin-11-methanol,..."	"COc1cc(cc(OC)c1OC)C23OCC(Cc4cc5OCOc5cc24)C3CO"	0	""	""	2	1	"396064"	NA
"701566"	701566	"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate"	"COc1ccc(cc1OC)C23OCC(Cc4cc(OC)c(OC)cc24)C3COC(=O)C"	0	""	""	1	1	"396066"	NA
"701570"	701570	"androst-5-en-17-one, 3-acetyloxy-16-phenylmethylene-, 17..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C\c5ccccc5)\C\4=N/O)[C@@H]3CC=C2C1"	0	""	""	2	2	"9572078"	NA
"701573"	701573	"androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-o-[2-(diet..."	"CCN(CC)CCO\N=C/1\CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCC2=C1"	0	""	""	2	1	"6520039"	NA
"701574"	701574	"androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-o-[2-(1-py..."	"C[C@]12CC\C(=N\OCCN3CCCC3)\C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C"	0	""	""	2	1	"6520040"	NA
"701575"	701575	"androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-o-[2-(1-pi..."	"C[C@]12CC\C(=N\OCCN3CCCCC3)\C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C"	0	""	""	2	1	"6520042"	NA
"701587"	701587	"Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate"	"CCOC(=O)C12CCC(=O)N1N(C)c3ncccc3N2"	0	""	""	1	1	"396077"	NA
"701590"	701590	"Paullone Analog 7"	"FC(F)(F)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"396079"	NA
"701592"	701592	"Paullone Analog 31"	"COc1cc2NC(=O)Cc3c([nH]c4ccccc34)c2cc1OC"	0	""	""	1	1	"396081"	NA
"701593"	701593	"2h-cyclohepta[b]furan-2-one, octahydro-5-hydroxy- 6-meth..."	"CCC(C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H](O)[C@H](C)[C@@]1(O)C(=O)\C=C\C"	0	""	""	2	2	"21672237"	NA
"701598"	701598	"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3F)N4C=C(C)C(=O)NC4=O)C(O)C2O"	0	""	""	3	2	"396086"	NA
"701599"	701599	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(COP(=O)(O)OCC3OC(CC3OC(=O)C)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	"396087"	NA
"701616"	701616	"6h-pyridazino[4,5-b]carbazol-1-amine, n-[3-(diethylamino..."	"CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccc(OC)cc4c3cc12"	0	""	""	2	2	"396092"	NA
"701617"	701617	"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine"	"CCN(CC)CCCNc1nncc2cc3c4cc(OC)ccc4[nH]c3c(C)c12"	0	""	""	2	2	"396093"	NA
"701635"	701635	"ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCCC3)C(=O)OCC)c4ccc(OC)cc4)N5CCCC5"	0	""	""	1	1	"54688722"	NA
"701638"	701638	"ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C(=O)OCC)c4ccc(Cl)c(c4)[N+](=O)[O-])N5CCOCC5"	0	""	""	1	1	"54680275"	NA
"701639"	701639	"ethyl 5-[(2,6-dichlorophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C(=O)OCC)c4c(Cl)cccc4Cl)N5CCOCC5"	0	""	""	2	1	"54688724"	NA
"701654"	701654	""	"C[C@@H]1[C@H](OC1=O)[C@H]2COC(C)(C)O2"	0	NA	NA	1	1	"527424"	NA
"701655"	701655	""	"COC(=O)[C@]12CSC[C@H]1C[C@@H](N2)c3ccc(cc3)N(C)C"	0	NA	NA	2	1	"527425"	NA
"701657"	701657	"7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4ccccc4"	0	""	""	2	2	"396109"	NA
"701658"	701658	"Ethyl 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate"	"CCOC(=O)c1c(C)c(c2ccccc2)n3C(=O)N(N=Nc13)c4ccccc4"	0	""	""	2	2	"396110"	NA
"701659"	701659	"3-(4-Methoxyphenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"COc1ccc(cc1)N2N=Nc3c(C#N)c(C)c(c4ccccc4)n3C2=O"	0	""	""	2	2	"396111"	NA
"701660"	701660	"Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C(=O)n2c3ccccc13)c4ccc(OC)cc4"	0	""	""	2	1	"396112"	NA
"701661"	701661	"Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C(=O)n2c3ccccc13)c4ccccc4"	0	""	""	2	2	"396113"	NA
"701662"	701662	"Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C)C(=O)n2c3ccccc13"	0	""	""	2	1	"396114"	NA
"701664"	701664	"2,6-ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol"	"CN(C)CCCN1\C(=N\c2ccccc2)\SC=C1c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"396117"	NA
"701665"	701665	"ChemDiv3_001104"	"COc1ccc(cc1)C2=CS\C(=N/c3ccccc3)\N2CCCN(C)C"	0	""	""	1	1	"396118"	NA
"701666"	701666	"benzenamine, n-[4-(4-chlorophenyl)-3-(2-propenyl)- 2(3h)..."	"COc1ccccc1\N=C\2/SC=C(N2CC=C)c3ccc(Cl)cc3"	0	NA	NA	2	2	"527436"	NA
"701667"	701667	""	"COc1ccc(cc1)C2=CS\C(=N/c3ccccc3)\N2CC(O)c4ccc(cc4)[N+](=O)[O-]"	0	NA	NA	2	2	"527437"	NA
"701670"	701670	"CBDivE_014298"	"CN(C)CCCN1\C(=N\c2ccccc2)\SC=C1c3ccc(Br)cc3"	0	""	""	1	1	"396126"	NA
"701679"	701679	""	"CC1(C)C(N)C2(CN)CCC1C2"	0	NA	NA	2	1	"527448"	NA
"701736"	701736	"C28H19Cl2N3O2S"	"Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(c4ccccc4Cl)c1C(=O)Nc5ccccc5"	0	""	""	3	2	"396188"	NA
"701743"	701743	"1,3-Bis[2-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-1h-indol-5-yl]urea"	"Nc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)Nc6ccc7[nH]c(cc7c6)C(=O)N8CC(CCl)c9c8cc(N)c%10ccccc9%10)ccc5[nH]4"	0	""	""	2	2	"396192"	NA
"701744"	701744	"1,3-Bis[5-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea"	"Cn1nc(cc1NC(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(N)c5ccccc45)C(=O)N6CC(CCl)c7c6cc(N)c8ccccc78"	0	""	""	1	1	"396193"	NA
"701745"	701745	"methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3cc(NCCN)c2[nH]1"	0	""	""	2	2	"396194"	NA
"701747"	701747	"N-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide"	"CC(=O)Nc1cc(\C=C/C(=O)N2CC(CCl)c3c2cc(N)c4ccccc34)n(C)n1"	0	""	""	2	1	"5470439"	NA
"701748"	701748	"Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate"	"CC(=O)O.CC(=O)[O-].Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc7ccc([N+](=O)[O-])n7C)c3nc12"	0	""	""	2	2	"396198"	NA
"701749"	701749	"(4-nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccccc46"	0	""	""	2	1	"396200"	NA
"701755"	701755	"2,3-dihydro-1,2-syn-3-[methylseleno]brefeldin a"	"C[Se][C@@H]1CC(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O"	0	""	""	2	2	"10970813"	NA
"701758"	701758	"STK008852"	"c1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccccc45"	0	""	""	2	2	"396206"	NA
"701759"	701759	"2,4-bis(6-bromo-1H-indol-3-yl)thiazole"	"Brc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5cc(Br)ccc45"	0	""	""	2	2	"396207"	NA
"701812"	701812	"12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dim..."	"CCC[n+]1cc2cc(OC)c(OC)cc2c3Cc4cc5OCOc5cc4c13"	0	""	""	3	3	"11811448"	NA
"701817"	701817	"3-hydroxy-16-(3,4,5-trimethoxybenzylidene)-17-oxo-1,3,5(..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	"5470445"	NA
"701822"	701822	"3-(2-pyrrolidinoethoxy)-16-(p-n,n-dimethylbenzylidene)-1..."	"CN(C)c1ccc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(OCCN6CCCC6)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1"	0	""	""	2	1	"5470450"	NA
"701852"	701852	"Vorinostat"	"ONC(=O)CCCCCCC(=O)Nc1ccccc1"	0	"HDAC"	"FDA approved"	9	4	"-1"	"149647789"
"701973"	701973	"4-N-diphenoxyphosphoryl-1-N-(10H-indolo[3,2-b]quinolin-11-yl)-2-methoxybenzene-1,4-diamine"	"COc1cc(NP(=O)(Oc2ccccc2)Oc3ccccc3)ccc1Nc4c5ccccc5nc6c7ccccc7[nH]c46"	0	""	""	2	2	"396276"	NA
"701984"	701984	"4h,9h-naphtho[2,3-b]furan-2-carboxaldehyde, 4,9-dioxo-"	"O=Cc1oc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	2	2	"396286"	NA
"701985"	701985	"naphtho[2,3-b]furan-4,9-dione, 2-bromo-"	"Brc1oc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	2	2	"396287"	NA
"701986"	701986	"1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione"	"CCCCN1C(=O)c2c(Br)sc(Br)c2C1=O"	0	""	""	1	1	"396288"	NA
"701990"	701990	"1-oxaspiro[4,5]deca-6,9-diene-2,8-dione"	"O=C1CCC2(O1)C=CC(=O)C=C2"	0	NA	NA	1	1	"527574"	NA
"701992"	701992	"methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn..."	"COC(=O)C#CC1(O)C=CC(=O)C=C1"	0	""	""	2	2	"396292"	NA
"701993"	701993	"7-(1h-Pyrrol-2-yl)-2,1,3-benzothiadiazole"	"c1c[nH]c(c1)c2cccc3nsnc23"	0	""	""	1	1	"396293"	NA
"701994"	701994	"AK123225"	"c1csc(c1)c2ccc(c3cccs3)c4nsnc24"	0	""	""	2	2	"396294"	NA
"701995"	701995	"7-[5-(2-Thienyl)-2-thienyl]-2,1,3-benzothiadiazole"	"c1csc(c1)c2ccc(s2)c3cccc4nsnc34"	0	""	""	1	1	"396295"	NA
"702015"	702015	"1h-indole-2-carboxylic acid, 2,3,5,11a-tetrahydro-7-meth..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OC(=O)c4cc5ccccc5[nH]4"	0	""	""	2	2	"396302"	NA
"702030"	702030	"4(3h)-quinazolinone, 2,2'-thiobis[3-amino-"	"NN1C(=Nc2ccccc2C1=O)SC3=Nc4ccccc4C(=O)N3N"	0	""	""	2	1	"396306"	NA
"702045"	702045	"2-propenone, 1,1'-(2,5-pyridinediyl)bis[3-(3,4-dimethoxy..."	"COc1ccc(\C=C\C(=O)c2cccc(n2)C(=O)\C=C\c3ccc(OC)c(OC)c3)cc1OC"	0	""	""	2	2	"5470456"	NA
"702046"	702046	"(E)-3-(2-thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one"	"O=C(\C=C\c1cccs1)c2cccc(n2)C(=O)\C=C\c3cccs3"	0	""	""	2	2	"5470457"	NA
"702047"	702047	"2-propenone, 1,1'-(2,5-pyridinediyl)bis[3-(2-furanyl)-"	"O=C(\C=C\c1occc1)c2cccc(n2)C(=O)\C=C\c3occc3"	0	""	""	2	2	"5470458"	NA
"702104"	702104	"N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide"	"C\C(=C/c1ccccc1)\C(=O)NCc2ccc(cc2)C(=O)NCCc3ccccc3"	0	""	""	2	2	"5470459"	NA
"702105"	702105	"methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate"	"COC(=O)[C@@H](NC(=O)c1ccc(CNC(=O)\C(=C\c2ccccc2)\C)cc1)C(C)C"	0	""	""	1	1	"5470460"	NA
"702106"	702106	"methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate"	"COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)\C(=C\c2ccccc2)\C)cc1"	0	""	""	1	1	"5470461"	NA
"702108"	702108	"methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(CNC(=O)\C(=C\c4ccccc4)\C)cc3"	0	""	""	1	1	"5470462"	NA
"702110"	702110	"methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3ccc(cc3)c4ccccc4)cc2"	0	""	""	1	1	"5470464"	NA
"702113"	702113	"methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3ccc(OCc4ccccc4)cc3)cc2"	0	""	""	2	2	"5470467"	NA
"702114"	702114	"N-benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3ccc(OCc4ccccc4)cc3"	0	""	""	1	1	"5470468"	NA
"702116"	702116	"N-benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3cccc(Oc4ccccc4)c3"	0	""	""	1	1	"5470470"	NA
"702117"	702117	"methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3cccc(Oc4ccccc4)c3)cc2"	0	""	""	1	1	"5470471"	NA
"702120"	702120	"N-[2-(1H-indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide"	"C\C(=C/c1ccccc1)\C(=O)NCc2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34"	0	""	""	1	1	"5470474"	NA
"702121"	702121	"4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide"	"[O-][N+](=O)c1ccccc1c2oc(\C=C\C(=O)NCc3ccc(cc3)C(=O)NCCc4ccccc4)cc2"	0	""	""	1	1	"5470475"	NA
"702123"	702123	"methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(CNC(=O)\C=C\c4cccc(Oc5ccccc5)c4)cc3"	0	""	""	1	1	"5470477"	NA
"702125"	702125	"N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2c[nH]c3ccccc23)\C=C\c4ccc(OCc5ccccc5)cc4"	0	""	""	2	2	"5470479"	NA
"702128"	702128	"N-benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3ccc4ccccc4c3"	0	""	""	2	1	"5470482"	NA
"702129"	702129	"N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide"	"C[C@@H](NC(=O)c1ccc(CNC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1)c4ccccc4"	0	""	""	2	2	"5470483"	NA
"702131"	702131	"N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2ccccc2)\C=C\c3csc(n3)c4ccccc4"	0	""	""	1	1	"5470485"	NA
"702134"	702134	"methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3csc(n3)c4ccccc4)cc2"	0	""	""	2	2	"5470488"	NA
"702136"	702136	"methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate"	"COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1"	0	""	""	2	2	"5470490"	NA
"702137"	702137	"N-[2-(1H-indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2c[nH]c3ccccc23)\C=C\c4ccc(cc4)c5ccccc5"	0	""	""	1	1	"5470491"	NA
"702152"	702152	"2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole"	"CC(=O)ON(C(=O)C)c1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	"396348"	NA
"702154"	702154	"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline"	"Nc1ccc(cc1I)c2nc3ccc(F)cc3s2"	0	""	""	2	2	"396350"	NA
"702155"	702155	"2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Cl)c2nc3ccc(F)cc3s2"	0	""	""	2	2	"396351"	NA
"702156"	702156	"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline"	"Cc1cc(ccc1N)c2nc3ccc(F)cc3s2"	0	""	""	1	1	"396352"	NA
"702158"	702158	"7-Epi-3,4-bis-nor-dolastatin 11"	"CC[C@H](C)[C@@H]1OC(=O)CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O"	0	""	""	2	2	"396354"	NA
"702208"	702208	"heliquinomycin"	"COC1CC(O[C@@H]2c3c(O)c4C(=O)C=C(OC)C(=O)c4c(O)c3O[C@@]25Oc6c(O)c7C(=O)OC(=Cc7cc6C[C@H]5O)C(=O)OC)OC(C)C1O"	0	NA	NA	3	2	"527649"	"178182495"
"702214"	702214	"(1R,2R,5R,9R,10S,13R)-13-hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one"	"C[C@@H]1CCC2[C@@H](C)C(=O)O[C@@H]3C4C[C@@H]1[C@@]23OO[C@@]4(C)O"	0	""	""	1	1	"6712631"	NA
"702294"	702294	"Estramustine"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(=O)(O)O"	0	"A7|TUBB|AlkAg"	"FDA approved"	2	1	"54611422"	"52205739"
"702295"	702295	"4h-1-benzopyran-4-one, 5-amino-6,8-difluoro- 2-[3-fluoro..."	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3"	0	""	""	2	2	"396363"	NA
"702308"	702308	"Bipinnatin H"	"CC(=O)O[C@@H]1CC([C@H](OC(=O)C)c2oc(cc2C)[C@H]3O[C@]3(C)C[C@@H]4OC(=O)C1=C4)[C@@]5(C)CO5"	0	""	""	1	1	"396365"	NA
"702309"	702309	"bipinnatin i"	"COC(=O)C(=C)C1C[C@@H](OC(=O)C)C2=C[C@H](C[C@@]3(C)O[C@@H]3c4oc([C@H]1OC(=O)C)c(C)c4)OC2=O"	0	""	""	1	1	"396366"	NA
"702313"	702313	"Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate"	"COC(=O)CN1c2nc(C#N)c(nc2N(CC(=O)OC)c3nc(C#N)c(nc13)C#N)C#N"	0	""	""	2	2	"396370"	NA
"702320"	702320	"WGSBXSBPVUTUKB-UHFFFAOYSA-N"	"N#Cc1nc(c2ccccn2)c(nc1C#N)c3ccccn3"	0	""	""	2	2	"396371"	NA
"702321"	702321	"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate"	"CCOC(=O)CNC1=NC(=O)C2=C(O1)C=C(Cl)OC2=O"	0	""	""	1	1	"396372"	NA
"702322"	702322	"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate"	"CCOC(=O)C(Cc1ccc(O)cc1)NC2=NC(=O)C3=C(O2)C=C(Cl)OC3=O"	0	""	""	2	1	"396373"	NA
"702323"	702323	"ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate"	"CCOC(=O)NNC1(NC(=O)C2=C(O1)C=C(Cl)OC2=O)SC"	0	""	""	2	1	"396374"	NA
"702326"	702326	"2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\Cc1cc(O)ccc1O)\C)\C)\C)\C)\C)\C)\C)C"	0	""	""	2	2	"5470495"	NA
"702327"	702327	"benzene-1,4-diol, 2-[19-(hydroxymethyl)-3,7,11,15,23,27,..."	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\Cc1cc(O)ccc1O)\C)\C)\C)\C)\CO)\C)\C)C"	0	""	""	2	2	"5470496"	NA
"702328"	702328	"(2Z,6Z,10E,14E,18E)-20-(3,6-dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\CC1=CC(=O)C=CC1=O)\C)\C)\C)\C)\C=O)\C)\C)C"	0	""	""	1	1	"5470497"	NA
"702332"	702332	"N-(2,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine"	"COc1ccc(OC)c(c1)\N=C\c2cc(OC)c(OC)c(OC)c2"	0	""	""	2	1	"396379"	NA
"702334"	702334	"(E)-N-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine"	"COc1cc(\C=N\c2ccccn2)cc(OC)c1OC"	0	""	""	2	1	"9556386"	NA
"702337"	702337	"AR-685/43307786"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccccc3OC"	0	""	""	3	2	"396384"	NA
"702338"	702338	"4-thiazolidinone, 3-(4-chlorophenyl)-2-(3,4,5-trimethoxy..."	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(Cl)cc3"	0	""	""	2	2	"396385"	NA
"702340"	702340	"3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(Cl)c(Cl)c3"	0	""	""	2	2	"396387"	NA
"702345"	702345	"3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cccc(c1)N2C(SCC2=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"396392"	NA
"702348"	702348	"(5E)-5-benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"5470499"	NA
"702349"	702349	"(5E)-5-benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	"5470500"	NA
"702350"	702350	"(5E)-5-benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccccc1N2C(S\C(=C\c3ccccc3)\C2=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"5470501"	NA
"702351"	702351	"(5E)-5-benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(Cl)cc4"	0	""	""	2	2	"5470502"	NA
"702352"	702352	"(5E)-5-benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccccc4Cl"	0	""	""	1	1	"5470503"	NA
"702353"	702353	"N-[4-[(5E)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(NC(=O)C)cc4"	0	""	""	1	1	"5470504"	NA
"702355"	702355	"(5E)-5-benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cc(Cl)c(Cl)cc4Cl"	0	""	""	2	1	"5470506"	NA
"702357"	702357	"N-[3-[(5E)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cccc(NC(=O)C)c4"	0	""	""	1	1	"5470508"	NA
"702358"	702358	"(5E)-5-benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccc(OC)c(c1)N2C(S\C(=C\c3ccccc3)\C2=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	1	"5470509"	NA
"702359"	702359	"(5E)-3-benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2Cc4ccccc4"	0	""	""	1	1	"5470510"	NA
"702363"	702363	"(5E)-5-benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccccn4"	0	""	""	2	1	"5470514"	NA
"702373"	702373	"Paullone Analog 47"	"COc1cccc2c1NC(=O)Cc3c2[nH]c4ccc(Br)cc34"	0	""	""	2	2	"396411"	NA
"702378"	702378	"Paullone Analog 9"	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)c2cc1OC"	0	""	""	2	2	"396412"	NA
"702395"	702395	"3-benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2Cc3ccccc3)cc1"	0	""	""	1	1	"9556387"	NA
"702396"	702396	"3-[(4-chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)cc1"	0	""	""	2	2	"9556388"	NA
"702397"	702397	"3-benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2Cc3ccccc3)c(OC)c1"	0	""	""	2	1	"9556389"	NA
"702399"	702399	"4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2c3ccccc3)c(OC)c1"	0	""	""	2	2	"9556391"	NA
"702400"	702400	"3-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=O)NN=C2c3ccccc3)cc(OC)c1OC"	0	""	""	2	2	"9556392"	NA
"702403"	702403	"4-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"O=C1NN=C(N1\N=C\c2c[nH]c3ccccc23)c4ccccc4"	0	""	""	1	1	"135505175"	NA
"702408"	702408	"N-[3-(methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride"	"CNCCCNC(=S)CN1C=C(C)C(=O)NC1=O"	0	""	""	3	1	"5470518"	NA
"702415"	702415	"Dimethyl 7-benzoyl-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[2,1-f]pyridazine-5,6-dicarboxylate"	"COC(=O)C1=C(C(N2N=C(C=CC12)c3ccc(Cl)cc3)C(=O)c4ccccc4)C(=O)OC"	0	""	""	1	1	"396442"	NA
"702416"	702416	"(Z)-1-(4-bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate"	"Clc1ccc(NC(=O)[C-](C(=O)c2ccc(Br)cc2)[n+]3cccc(n3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	"54714473"	NA
"702418"	702418	"Dimethyl 2-(4-chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[2,1-f]pyridazine-5,6-dicarboxylate"	"COC(=O)c1c(C(=O)OC)c2ccc(nn2c1C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	1	1	"396446"	NA
"702421"	702421	"N-[2-acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide"	"CCC[C@H](O)[C@@H](CNc1cc(NC(=O)C)nc(NC(=O)C)n1)N(Cc2ccccc2)Cc3ccccc3"	0	""	""	1	1	"396448"	NA
"702422"	702422	"1,3-bis[(E)-dimethylsulfamoyliminomethyl]benzene"	"CN(C)S(=O)(=O)\N=C\c1cccc(\C=N\S(=O)(=O)N(C)C)c1"	0	""	""	1	1	"9572083"	NA
"702433"	702433	"2-[2-[5-Bromo-2-[3-(2-tetrahydropyran-2-yloxyethyl)-2-thienyl]-3-thienyl]ethoxy]tetrahydropyran"	"Brc1cc(CCOC2CCCCO2)c(s1)c3sccc3CCOC4CCCCO4"	0	""	""	2	2	"396459"	NA
"702435"	702435	"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol"	"OCCc1ccsc1c2sc(cc2CCO)c3cc(CCO)c(s3)c4sc(cc4CCO)c5cc(CCO)c(s5)c6sccc6CCO"	0	""	""	2	1	"396461"	NA
"702436"	702436	"[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate"	"FC(F)(F)S(=O)(=O)Oc1ccc2oc3ccccc3c2c1c4c(OS(=O)(=O)C(F)(F)F)ccc5oc6ccccc6c45"	0	""	""	2	1	"396462"	NA
"702438"	702438	"3-[(1R,12bR)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide"	"CC[C@@]1(CCC(=O)NCCc2c[nH]c3ccccc23)CCC(=O)N4CCc5c([nH]c6ccccc56)[C@@H]14"	0	""	""	1	1	"396464"	NA
"702440"	702440	"[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester"	"COC(=O)\C=C\1/CCC(C)(C(=O)NS(=O)(=O)c2ccc(C)cc2)C1(C)C"	0	""	""	1	1	"5470525"	NA
"702616"	702616	"9h-quino[4,3,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tet..."	"O=C1c2cccnc2c3nccc4c5CCCCc5nc1c34"	0	""	""	2	2	"396466"	NA
"702644"	702644	"Graviquinone"	"COC(=O)\C=C\C1(O)C=CC(=O)C=C1"	0	""	""	2	2	"5470526"	NA
"702648"	702648	"5-[5-(5-Formyl-2-furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde"	"Cn1c(ccc1c2oc(C=O)cc2)c3oc(C=O)cc3"	0	""	""	1	1	"396471"	NA
"702652"	702652	"2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid"	"OC(=O)Cc1ccc2nc(COC(=O)c3ccccc3)sc2c1"	0	""	""	1	1	"396475"	NA
"702655"	702655	"LDDHTAJMMDSEME-OKKQSCSOSA-N"	"NC([C@@H]1CC(=NO1)Br)C(=O)O"	0	""	""	2	2	"6712634"	NA
"702684"	702684	"{[(4-Methylphenyl)sulfonyl]carbamoyl}sulfamic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NS(=O)(=O)O"	0	""	""	1	1	"396499"	NA
"702688"	702688	"5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide"	"NS(=O)(=O)c1nnc(NC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)s1"	0	""	""	1	1	"5470532"	NA
"702690"	702690	"3-(2,3-Dichloro-4,6-disulfamoyl-phenyl)-1,1-diphenyl-urea"	"NS(=O)(=O)c1cc(c(NC(=O)N(c2ccccc2)c3ccccc3)c(Cl)c1Cl)S(=O)(=O)N"	0	""	""	1	1	"396505"	NA
"702691"	702691	"4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide"	"NC(=S)Nc1c(Cl)c(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N"	0	""	""	1	1	"5470533"	NA
"702692"	702692	"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea"	"NS(=O)(=O)c1cc(c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl)S(=O)(=O)N"	0	""	""	1	1	"396507"	NA
"702734"	702734	"3-[[(1R,4aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione"	"COC1=CC(=O)C(=C(C[C@]2(C)C(C)CC[C@@]3(C)C2CCCC3=C)C1=O)Cl"	0	""	""	2	2	"396513"	NA
"702755"	702755	"3-[5-(1H-indol-3-yl)pyrazin-2-yl]-1H-indole"	"c1ccc2c(c[nH]c2c1)c3cnc(cn3)c4c[nH]c5ccccc45"	0	""	""	1	1	"396515"	NA
"702756"	702756	"1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole"	"Cn1cc(c2cnc(cn2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	3	3	"396516"	NA
"702759"	702759	"ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate"	"CCOC(=O)CCc1cccc2c1oc3c(CCNC(=O)OCC4c5ccccc5c6ccccc46)cccc23"	0	""	""	1	1	"396517"	NA
"702923"	702923	"sphinxolide E"	"COC(CC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]2O"	0	""	""	1	1	"5470535"	NA
"702924"	702924	"sphinxolide F"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C2OC2(C)CC(OC)C(OC)C3=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]3O"	0	""	""	2	2	"5470536"	NA
"702925"	702925	"reidispongiolide c"	"COC(CC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@H](C2)C(C)C(CC(OC)\C=C\C(C)C(CC(OC)\C=C\C1C)OC)OC)OC"	0	""	""	1	1	"5470537"	NA
"702985"	702985	"2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid"	"COc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC)c(OC)c2)C(=O)O)cc1OC"	0	""	""	1	1	"5470542"	NA
"702986"	702986	"N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine"	"OCC(NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)O"	0	""	""	1	1	"5470543"	NA
"702987"	702987	"Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate"	"COC(=O)C(COC(=O)C)NC(=O)\C=C\c1ccc(O)c(OC(=O)C)c1"	0	""	""	1	1	"5470544"	NA
"703013"	703013	"(6aS)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione"	"COc1cc2C(=S)N3CCC[C@H]3C(=S)Nc2cc1OCc4ccccc4"	0	""	""	1	1	"5470549"	NA
"703018"	703018	"3-allylthiohydantoin"	"C=CCN1C(=O)CNC1=S"	0	""	""	1	1	"3032418"	NA
"703020"	703020	"STK968464"	"COc1ccc(\C=C\2/NC(=S)N(CC=C)C2=O)cc1"	0	""	""	1	1	"1041244"	NA
"703028"	703028	"(5Z)-5-benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one"	"C\C=C\CSC1=N\C(=C/c2ccccc2)\C(=O)N1CC=C"	0	""	""	1	1	"5470561"	NA
"703035"	703035	""	"COc1ccc(\C=C\2/N=C(SC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N(CC=C)C2=O)cc1"	0	NA	NA	2	1	"527855"	NA
"703036"	703036	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(C)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	"527856"	NA
"703037"	703037	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Cl)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	"527857"	NA
"703038"	703038	""	"COc1ccc(\C=C\2/N=C(SC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N(CC=C)C2=O)cc1"	0	NA	NA	1	1	"527858"	NA
"703039"	703039	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(C)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"527859"	NA
"703040"	703040	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Cl)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"527860"	NA
"703062"	703062	"3,5'-diformyl-2,5-bis-(2'-thienyl)-pyrrol"	"O=Cc1ccc(s1)c2cc(C=O)c([nH]2)c3cccs3"	0	""	""	2	2	"396573"	NA
"703070"	703070	"4-benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine"	"C#CCn1ncc2c(SCc3ccccc3)ncnc12"	0	""	""	1	1	"396581"	NA
"703092"	703092	"VMTUPCLFULPHMX-UHFFFAOYSA-N"	"CCOC(=O)c1cn2c3ccc(Cl)cc3sc2n1"	0	""	""	1	1	"396584"	NA
"703097"	703097	"Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate"	"CCOC(=O)c1cn2c3cc(C)c(C)cc3sc2n1"	0	""	""	1	1	"396589"	NA
"703099"	703099	"benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate"	"Cc1cc(CNC(=O)OCc2ccccc2)c(C)c3Oc4ccccc4Oc13"	0	""	""	2	1	"396591"	NA
"703102"	703102	"1-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3cnccn3"	0	""	""	2	2	"9572088"	NA
"703104"	703104	"N-[(E)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3ccncn3"	0	""	""	2	2	"9572090"	NA
"703105"	703105	"1-methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3ccncn3"	0	""	""	2	2	"9572091"	NA
"703107"	703107	"N-[(E)-1-isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3cc4ccccc4cn3"	0	""	""	2	2	"9572092"	NA
"703108"	703108	"N-[(E)-1-isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3cc4ccccc4cn3"	0	""	""	2	2	"9572093"	NA
"703109"	703109	"5-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(C)ccc2s1)\c3ccccn3"	0	""	""	2	2	"9572094"	NA
"703110"	703110	"N-[(E)-1-pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(ccc2s1)C(F)(F)F)\c3ccccn3"	0	""	""	2	2	"9572095"	NA
"703111"	703111	"5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(Cl)ccc2s1)\c3ccccn3"	0	""	""	2	2	"9572096"	NA
"703116"	703116	"N-(4-aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCN)OCCCN"	0	""	""	1	1	"396612"	NA
"703117"	703117	"N-(5-aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCCN)OCCCN"	0	""	""	2	1	"396614"	NA
"703122"	703122	"2-amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol"	"Nc1cc(ccc1O)C2CCCc3c2[nH]c4ccccc34"	0	""	""	1	1	"396623"	NA
"703127"	703127	"1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione"	"S=C1NN=C2N3C4CCCCC4C5CCCC(=C2N1)C35"	0	""	""	1	1	"5470587"	NA
"703131"	703131	"F3223-0004"	"Cc1nc2ccccc2n1Cc3oc(nn3)c4ccccc4"	0	""	""	1	1	"396632"	NA
"703132"	703132	"AOD100951"	"Cc1nc2ccccc2n1Cc3oc(N)nn3"	0	""	""	1	1	"396633"	NA
"703133"	703133	"1-[2-(1,3-Benzothiazol-2-yl)ethyl]-2-methyl-benzimidazole"	"Cc1nc2ccccc2n1CCc3nc4ccccc4s3"	0	""	""	1	1	"396634"	NA
"703136"	703136	"1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea"	"Cc1nc2ccccc2n1Cc3ccc(NC(=S)NC4CCCCC4)cc3"	0	""	""	2	2	"5470589"	NA
"703138"	703138	"(e)-(3,5-Dimethyl-4h-pyrazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"CC1=NN=C(C)C1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	2	2	"396639"	NA
"703139"	703139	"(e)-(3,5-Dimethylisoxazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"Cc1onc(C)c1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	1	1	"396640"	NA
"703141"	703141	"(e)-(5,7-Dimethyl-3,6-dihydro-2h-1,4-diazepin-6-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"CC1=NCCN=C(C)C1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	1	1	"396642"	NA
"703147"	703147	"Epothilone D"	"C[C@H]1CCC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C)\C"	0	"Tu-stab"	""	1	1	"-1"	"189453109"
"703161"	703161	"Methyl 4-(3-phenylazoquinoxalin-2-yl)butanoate"	"COC(=O)CCCc1nc2ccccc2nc1N=Nc3ccccc3"	0	""	""	1	1	"396647"	NA
"703162"	703162	"N-[(E)-(3,5-dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline"	"CSC1=C(C)C(=C(C)N(c2ccccc2)S1(=O)=O)\C=N\Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"9572097"	NA
"703165"	703165	"N-[(E)-1-isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cc4ccccc4cn3"	0	""	""	1	1	"9572098"	NA
"703174"	703174	"3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione"	"O=C1N(CN2CCOCC2)CN(CN3CCOCC3)C(=O)N1Cc4ccc(cc4)c5ccc(CN6C(=O)N(CN7CCOCC7)CN(CN8CCOCC8)C6=O)cc5"	0	""	""	2	1	"396660"	NA
"703177"	703177	"13,14-Dimethyl-11lambda6-thia-2,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16),13-heptaene 11,11-dioxide"	"Cc1[nH]c2Nc3nc4ccccc4cc3S(=O)(=O)c2c1C"	0	""	""	1	1	"396663"	NA
"703178"	703178	"N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide"	"Cc1cc(C)nc(NC(=O)c2ccc(Br)s2)c1"	0	""	""	1	1	"396664"	NA
"703196"	703196	"N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide"	"CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O"	0	""	""	1	1	"396682"	NA
"703202"	703202	"cartilagineol"	"CC1(Cl)CC[C@]2(CC1Br)C(=C)C[C@@H](O)[C@@H](Br)C2(C)C"	0	""	""	2	2	"396684"	"185215990"
"703203"	703203	"mailione"	"CC1(C)[C@H](Br)[C@H](O)CC(=C)[C@@]12CCC(=O)C=C2"	0	""	""	2	2	"396685"	"185213745"
"703215"	703215	"(6E)-10-hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione"	"C\C\1=C/CCC(C)(O)C(=O)C2CC(=O)C(=C)C2CC1=O"	0	""	""	2	2	"5470594"	NA
"703216"	703216	"(6E)-10,11-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione"	"C\C\1=C/CCC(C)(O)C(O)C2CC(=O)C(=C)C2CC1=O"	0	""	""	4	2	"5470595"	NA
"703220"	703220	""	"CCCC[C@H]1[C@H](COC(=O)N1[C@H](C)c2ccccc2)OCOc3ccccc3"	0	NA	NA	2	1	"527976"	NA
"703226"	703226	"2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol"	"CN(CCCNCc1ccccn1)Cc2ccccc2O"	0	""	""	1	1	"396692"	NA
"703305"	703305	"4-[bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide"	"Clc1ccc(cc1)N=N\C(=N\c2ccccc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	"396697"	NA
"703306"	703306	"4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide"	"Fc1ccc(cc1)\N=C(/N=Nc2ccccc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	"396698"	NA
"703311"	703311	"4-[bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide"	"Cc1ccc(cc1)N=N\C(=N/c2ccc(Cl)cc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	"396703"	NA
"703312"	703312	"4-[bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide"	"COc1ccc(cc1)N=N\C(=N/c2ccc(Cl)cc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	"396704"	NA
"703315"	703315	"3-Chloroindolo[2,1-b]quinazoline-6,12-dione"	"Clc1ccc2C(=O)N3C(=Nc2c1)C(=O)c4ccccc34"	0	""	""	1	1	"396706"	NA
"703317"	703317	"6-hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one"	"OC1C2Nc3ccc(cc3C(=O)N2c4ccccc14)[N+](=O)[O-]"	0	""	""	1	1	"396708"	NA
"703318"	703318	"J3.572.907K"	"OC1C2Nc3ccccc3C(=O)N2c4ccccc14"	0	""	""	1	1	"396709"	NA
"703319"	703319	"4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one"	"COc1cc(\C=C\C2=CC(=CC(=O)O2)\C=C\c3ccc(O)c(OC)c3)ccc1O"	0	""	""	2	2	"5470596"	NA
"703320"	703320	"4,6-bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one"	"Oc1ccc(\C=C\C2=CC(=CC(=O)O2)\C=C\c3ccc(O)c(O)c3)cc1O"	0	""	""	2	1	"5470597"	NA
"703321"	703321	"4-[(Z)-2-[5-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol"	"COc1cc(\C=C/c2nnc(\C=C/c3ccc(O)c(OC)c3)s2)ccc1O"	0	""	""	2	2	"135505177"	NA
"703322"	703322	"4-[(Z)-2-[5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol"	"Oc1ccc(\C=C/c2nnc(\C=C/c3ccc(O)c(O)c3)s2)cc1O"	0	""	""	2	2	"135505178"	NA
"703323"	703323	"N-(3-bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine"	"Brc1cccc(Nc2ncnc3sc4CC5(CCc4c23)OCCO5)c1"	0	""	""	1	1	"396714"	NA
"703324"	703324	"4-[(3-Bromophenyl)amino]-6,8-dihydro-5h-benzothiopheno[2,3-d]pyrimidin-7-one"	"Brc1cccc(Nc2ncnc3sc4CC(=O)CCc4c23)c1"	0	""	""	2	1	"396715"	NA
"703326"	703326	"N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine"	"COC1(CCc2c(C1)sc3ncnc(Nc4cccc(Br)c4)c23)OC"	0	""	""	1	1	"396717"	NA
"703327"	703327	"2,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one"	"COc1cc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(O)c(OC)c3)ccc1O"	0	""	""	2	2	"5470600"	NA
"703328"	703328	"2,6-bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one"	"COc1ccc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(OC)c(O)c3)cc1O"	0	""	""	2	1	"5470601"	NA
"703329"	703329	"2,6-bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one"	"Oc1ccc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(O)c(O)c3)cc1O"	0	""	""	2	2	"5470602"	NA
"703331"	703331	"N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide"	"COc1cc2nc(Cl)nc(NS(=O)(=O)c3cc4ccccc4s3)c2cc1OC"	0	""	""	1	1	"396722"	NA
"703333"	703333	"2,3-Dimethoxy-8-nitro-indolo[2,1-b]quinazoline-6,12-dione"	"COc1cc2N=C3N(C(=O)c2cc1OC)c4ccc(cc4C3=O)[N+](=O)[O-]"	0	""	""	1	1	"396724"	NA
"703334"	703334	"2-Chloroindolo[2,1-b]quinazoline-6,12-dione"	"Clc1ccc2N=C3N(C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	"396725"	NA
"703357"	703357	"4h-1-benzopyran-4-one, 5-amino-2- [4-[[2-amino-5-guanidi..."	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)C(N)CCCNC(=N)N)c(F)c3"	0	""	""	2	2	"396727"	NA
"703439"	703439	"5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	"396729"	NA
"703440"	703440	"5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCCCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	"396730"	NA
"703441"	703441	"5-Acetyl-6-(2-morpholinoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCOCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	1	"396731"	NA
"703442"	703442	"Ethyl 4-(2-diethylaminoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(SCCN(CC)CC)N(C(=S)N(C1=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	"396732"	NA
"703443"	703443	"Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate"	"CCOC(=O)C1=C(SCCN2CCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	"396733"	NA
"703444"	703444	"7-(2-Diethylaminoethylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"CCN(CC)CCSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	"396734"	NA
"703445"	703445	"5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[6,5-d]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCN5CCCC5)c6ccccc6"	0	""	""	2	2	"396735"	NA
"703446"	703446	"5-Imino-7-(2-morpholinoethylsulfanyl)-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCN5CCOCC5)c6ccccc6"	0	""	""	2	2	"396736"	NA
"703447"	703447	"7-(3-Dimethylaminopropylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"CN(C)CCCSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	"396737"	NA
"703448"	703448	"7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	"CC(CSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5)CN(C)C"	0	""	""	2	2	"396738"	NA
"703449"	703449	"5-Imino-1,3,6-triphenyl-7-[3-(1-piperidyl)propylsulfanyl]pyrimido[6,5-d]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCCN5CCCCC5)c6ccccc6"	0	""	""	2	2	"396739"	NA
"703452"	703452	"6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCCN3CCCCCC3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"396742"	NA
"703454"	703454	"1,3,5-Triphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidin-4-one"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCCCN3CCCCC3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"396744"	NA
"703456"	703456	"3-(2,2-Dimethylpropanoyl)-2-thioxo-imidazolidine-1-carbaldehyde"	"CC(C)(C)C(=O)N1CCN(C=O)C1=S"	0	""	""	1	1	"396746"	NA
"703457"	703457	"2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde"	"COc1cc(cc(OC)c1OC)C(=O)N2CCN(C=O)C2=S"	0	""	""	1	1	"396747"	NA
"703458"	703458	"3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde"	"Clc1ccc(cc1)C(=O)N2CCN(C=O)C2=S"	0	""	""	1	1	"396748"	NA
"703462"	703462	"3-(Furan-2-carbonyl)-2-thioxo-imidazolidine-1-carbaldehyde"	"O=CN1CCN(C(=O)c2occc2)C1=S"	0	""	""	2	1	"396752"	NA
"703463"	703463	"[2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2=S"	0	""	""	1	1	"396753"	NA
"703465"	703465	"[3-(3,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,4-dichlorophenyl)methanone"	"Clc1ccc(cc1Cl)C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2=S"	0	""	""	1	1	"396755"	NA
"703466"	703466	"[3-(3,5-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,5-dichlorophenyl)methanone"	"Clc1cc(Cl)cc(c1)C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C2=S"	0	""	""	2	2	"396756"	NA
"703467"	703467	"[3-(Furan-2-carbonyl)-2-thioxo-imidazolidin-1-yl]-(2-furyl)methanone"	"O=C(N1CCN(C(=O)c2occc2)C1=S)c3occc3"	0	""	""	2	2	"396757"	NA
"703468"	703468	"2-Thienyl-[3-(thiophene-2-carbonyl)-2-thioxo-imidazolidin-1-yl]methanone"	"O=C(N1CCN(C(=O)c2cccs2)C1=S)c3cccs3"	0	""	""	2	1	"396758"	NA
"703469"	703469	"O-(2-phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate"	"COc1ccc(cc1)C(=O)N(C(=S)OCCOc2ccccc2)c3ccccc3"	0	""	""	1	1	"396759"	NA
"703470"	703470	"(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester"	"Clc1ccc(cc1)C(=O)N(C(=S)OCCOc2ccccc2)c3ccccc3"	0	""	""	1	1	"396760"	NA
"703542"	703542	"(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol"	"OC(\C=C\CCCCCCC#CC\C=C/CC#CCCCCCC\C=C\C(O)C#C)C#C"	0	""	""	2	2	"5470603"	NA
"703543"	703543	"(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol"	"OC(CCCCCCCCC#CC\C=C/CC#CCCCCCC\C=C\C(O)C#C)C#C"	0	""	""	2	2	"5470604"	NA
"703544"	703544	"(4E,12Z,27Z,43Z)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol"	"OC(\C=C\CCCCCC\C=C/CCCCC#CC(O)C#CCCCC\C=C/CCCCCCCCCCCCCC\C=C/C#C)C#C"	0	""	""	2	2	"5470605"	NA
"703545"	703545	"3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5h-furo[5,4-d][1,3]dioxol-6-ol"	"CC1(C)OC2C(O)C(CO)OC2(O1)C(F)F"	0	""	""	2	1	"396766"	NA
"703547"	703547	"methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate"	"COC(=O)\C=C/1\N2C(=CC1=O)[C@@H]3C[C@H]4C[C@H](CC[C@@]24C)C3(C)NC(=O)C"	0	""	""	2	2	"5470606"	NA
"703550"	703550	"N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"Cc1ccc(cc1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	1	1	"135505181"	NA
"703552"	703552	"N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccccc1N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	1	1	"135505183"	NA
"703554"	703554	"N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"Cc1ccc(cc1)C(=O)N\N=C(/N=Nc2cccc(c2)[N+](=O)[O-])\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	2	1	"135505185"	NA
"703558"	703558	"1h-indole-2-carboxamide, n-[3-[[2,3,5,11a-tetrahydro-7-m..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	2	2	"396779"	NA
"703749"	703749	"[(4Z)-4-Decylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CCCCCCCCC\C=C/1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O"	0	""	""	2	2	"5470622"	NA
"703750"	703750	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C"	0	""	""	2	2	"5470623"	NA
"703751"	703751	"[(4E)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C"	0	""	""	2	1	"5470624"	NA
"703756"	703756	"(E)-[4-decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate"	"CCCCCCCCC\C=C\1/CC(CO)(COC(=O)C2CCCCC2)OC1=O"	0	""	""	1	1	"5470628"	NA
"703757"	703757	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)c2ccccc2)OC1=O)C(C)C"	0	""	""	1	1	"5470629"	NA
"703759"	703759	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C"	0	""	""	1	1	"5470631"	NA
"703760"	703760	"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C"	0	""	""	1	1	"5470632"	NA
"703761"	703761	"[(4Z)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C"	0	""	""	2	2	"5470633"	NA
"703762"	703762	"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C"	0	""	""	1	1	"5470634"	NA
"703763"	703763	"3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester"	"CCCCCCCC\C=C/CCCCCCC\C=C/1\C[C@](CO)(OC1=O)\C=C\C(=O)OC"	0	""	""	2	2	"5470635"	NA
"703764"	703764	"methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate"	"CCCCCCCC\C=C/CCCCCCC\C=C\1/C[C@](CO)(OC1=O)\C=C\C(=O)OC"	0	""	""	2	2	"5470636"	NA
"703770"	703770	"c35h43n5o"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	2	1	"6712640"	NA
"703771"	703771	"usambarensine"	"C\C=C/1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc5nccc6c7ccc(O)cc7[nH]c56"	0	""	""	2	1	"54611444"	NA
"703772"	703772	"Isostrychnopentamine A"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	3	1	"6712642"	NA
"703776"	703776	"3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid"	"OC(=O)CCSC(CC1(NC(=O)CCS1)c2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	1	"396797"	NA
"703779"	703779	"(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	"5470638"	NA
"703781"	703781	"(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	"396804"	NA
"703783"	703783	"(2S)-2,6-diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	"Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)c2nc3ccccc3s2"	0	""	""	2	2	"396808"	NA
"703784"	703784	"l-lysinamide, n-[4-(1,3-benzothiazol-2-yl)phenyl-2-chlor..."	"NCCCC[C@H](N)C(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	2	2	"396810"	NA
"703785"	703785	"6-Benzothiazolol, 2-(4-amino-3-methylphenyl)-"	"Cc1cc(ccc1N)c2nc3ccc(O)cc3s2"	0	""	""	1	1	"396812"	NA
"703786"	703786	"4-(5-fluorobenzo[d]thiazol-2-yl)-2-methyl aniline"	"Cc1cc(ccc1N)c2nc3cc(F)ccc3s2"	0	""	""	3	3	"396813"	NA
"703788"	703788	"Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-"	"Nc1ccc(cc1F)c2nc3ccccc3s2"	0	""	""	1	1	"396815"	NA
"703823"	703823	"3-hydroxy-16(4'-pyridylmethylene)-17-oxo-1,3,5(10)-estra..."	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C\C(=C/c5ccncc5)\C2=O"	0	""	""	1	1	"5470644"	NA
"703830"	703830	"Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate"	"CCOC(=O)c1csc(NC(=O)CCN(CC)CC)n1"	0	""	""	1	1	"396826"	NA
"703837"	703837	"Ethyl 2-[2-(1-piperidyl)propanoylamino]thiazole-4-carboxylate"	"CCOC(=O)c1csc(NC(=O)C(C)N2CCCCC2)n1"	0	""	""	1	1	"396833"	NA
"703850"	703850	"STK092790"	"CC(=O)Nc1ccc(cc1)\N=C\2/C(=C(SC3=C(\C(=N/c4ccc(NC(=O)C)cc4)\c5ccccc35)c6ccccc6)c7ccccc27)c8ccccc8"	0	""	""	1	1	"396836"	NA
"703855"	703855	"6-(4-Methylphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	"Cc1ccc(cc1)\N=C\2/C(=O)C3=C(OC(C)(C)CC3)c4ccccc24"	0	""	""	2	2	"396837"	NA
"703857"	703857	"6-(4-Nitrophenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	"CC1(C)CCC2=C(O1)c3ccccc3\C(=N\c4ccc(cc4)[N+](=O)[O-])\C2=O"	0	""	""	1	1	"396839"	NA
"703866"	703866	"tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate"	"CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N2CC[C@H](N2)C(=O)N3[C@H]4C[C@@H]5CC[C@@]4(CS3(=O)=O)C5(C)C"	0	""	""	1	1	"396842"	NA
"703874"	703874	"N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide"	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\NC(=O)c5cccc6cc7ccccc7nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	"9572109"	NA
"703876"	703876	"[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5cccc6cc7ccccc7nc56)ccc34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	"396849"	NA
"703878"	703878	"12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride"	"COc1c(O)cc2C=CNc3ccnc1c23"	0	""	""	1	1	"396850"	NA
"703889"	703889	"N-[(Z)-[2-(4-nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide"	"[O-][N+](=O)c1ccc(OC\C(=N\NC(=O)c2ccncc2)\N=C\c3ccncc3)cc1"	0	""	""	1	1	"9572115"	NA
"703899"	703899	"(Z)-3-ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide"	"CCOC(=O)\C(=C(\N)/N1CCCC1)\C(=O)Nc2ccc(F)cc2"	0	""	""	1	1	"135426608"	NA
"703912"	703912	"Ethyl 1-(3-chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(N=CN(C1=O)c2cccc(Cl)c2)N3CCOCC3"	0	""	""	1	1	"396885"	NA
"703982"	703982	""	"COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(=O)C)c(OC(=O)C)c1)NC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2"	0	NA	NA	1	1	"528180"	NA
"704065"	704065	"(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane"	"C[C@@H]1CCC2[C@@H](C)C(OCCOC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CCC([C@H]3C)[C@@]46O5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27O8"	0	""	""	1	1	"6712644"	NA
"704066"	704066	"2,3-dihydro-(3r)-[2-(diethylphosphono)ethylseleno]brefel..."	"CCOP(=O)(CC[Se][C@@H]1CC(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O)OCC"	0	""	""	2	2	"11016831"	NA
"704077"	704077	"6-(5-nitropyridin-2-yl)sulfanyl-7H-purin-2-amine"	"Nc1nc(Sc2ccc(cn2)[N+](=O)[O-])c3nc[nH]c3n1"	0	""	""	2	1	"3977545"	NA
"704080"	704080	"1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole"	"Cc1c(c2c(C)c3ccccc3n2S(=O)(=O)c4ccccc4)n(c5ccccc15)S(=O)(=O)c6ccccc6"	0	""	""	2	1	"396901"	NA
"704082"	704082	"N-(naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"O=S1(=O)N(C(=Nc2ccncc12)NCc3cccc4ccccc34)c5ccccc5"	0	""	""	2	1	"135426615"	NA
"704083"	704083	"N-[(2-methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"COc1ccccc1CNC2=Nc3ccncc3S(=O)(=O)N2c4ccccc4"	0	""	""	1	1	"135416672"	NA
"704085"	704085	"4-[(1E,3E,5E)-6-(4-bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline"	"CN(C)c1ccc(cc1)\C(=C(/F)\C(=C(/F)\C(=C(/F)\c2ccc(Br)cc2)\F)\F)\F"	0	""	""	2	2	"5470675"	NA
"704089"	704089	"1-[(3As,6s)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methyl-propan-1-one"	"CC(C)C(=O)[C@@]1(C)SC[C@H]2CCN=C12"	0	""	""	1	1	"396910"	NA
"704096"	704096	"N-[(Z)-[[4-(dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"CN(C)c1ccc(cc1)\C(=N\NC(=O)c2ccc(C)cc2)\N=Nc3cccc(C)c3"	0	""	""	1	1	"135505189"	NA
"704098"	704098	"N-[(Z)-[[(2-chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide"	"CN(C)c1ccc(cc1)\C(=N\NC(=O)c2ccc(C)cc2)\N=Nc3ccccc3Cl"	0	""	""	1	1	"135505191"	NA
"704099"	704099	"N-[(Z)-[[4-(dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cccc(c1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3)N(C)C"	0	""	""	1	1	"135505192"	NA
"704100"	704100	"N-[(Z)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccc(cc1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3)N(C)C"	0	""	""	2	1	"135505193"	NA
"704104"	704104	"6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione"	"Cc1sc2N=C3SN4C(=Nc5sc(C)c(C)c5C4=O)N3C(=O)c2c1C"	0	""	""	1	1	"396923"	NA
"704105"	704105	"11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione"	"O=C1N2SC3=Nc4sc5CCCCc5c4C(=O)N3C2=Nc6sc7CCCCc7c16"	0	""	""	2	1	"396924"	NA
"704108"	704108	"(2s)-2-[[4-[(6-Allophanoyl-2-pyridyl)methylamino]benzoyl]amino]pentanedioic acid"	"NC(=O)NC(=O)c1cccc(CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)n1"	0	""	""	1	1	"396927"	NA
"704113"	704113	"6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one hydrochloride"	"NC1CC(=O)c2cscc12"	0	""	""	1	1	"396928"	NA
"704115"	704115	"4h-cyclopenta[c]thiophen-4-one, 6-amino-1-chloro-5,6-dih..."	"NC1CC(=O)c2csc(Cl)c12"	0	""	""	2	2	"396931"	NA
"704117"	704117	"1,3-Diiodocyclopenta[c]thiophen-6-one"	"Ic1sc(I)c2C(=O)C=Cc12"	0	""	""	1	1	"396934"	NA
"704119"	704119	"6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(NCc3ccccc3)c12"	0	""	""	2	2	"396937"	NA
"704121"	704121	"6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(Nc3ccccc3)c12"	0	""	""	2	2	"396939"	NA
"704122"	704122	"(4S,6R)-1,3,4,6-tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene"	"Cl[C@@H]1C[C@H](Cl)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	"396940"	NA
"704124"	704124	"(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine"	"O\N=C\1/C\C(=N/O)\c2c(Br)sc(Br)c12"	0	""	""	1	1	"9572130"	NA
"704125"	704125	"1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine hydrochloride"	"NC1CC(Cl)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	"396943"	NA
"704127"	704127	"1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol"	"OC1CC(O)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	"396946"	NA
"704128"	704128	"Ikesweoghpmerw-wsokhjqssa-"	"Br[C@@H]1C[C@H](Br)c2c(Br)sc(Br)c12"	0	""	""	1	1	"396947"	NA
"704130"	704130	"1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"ClC1CC(=O)c2c(Cl)sc(Cl)c12"	0	""	""	2	2	"396949"	NA
"704171"	704171	"2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3ccc(F)cc3)n1c4ccc(F)cc4"	0	""	""	2	2	"396951"	NA
"704172"	704172	"2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3cccc4ccccc34)n1c5cccc6ccccc56"	0	""	""	2	2	"396952"	NA
"704174"	704174	"N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide"	"S=C(NC1CCCCC1)N2CCNC2=S"	0	""	""	1	1	"3005453"	NA
"704176"	704176	"N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide"	"O=C(NC1CCCCC1)N2CCNC2=S"	0	""	""	1	1	"3005455"	NA
"704177"	704177	"N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide"	"O=C(Nc1ccccc1)N2CCN(C(=O)Nc3ccccc3)C2=S"	0	""	""	1	1	"396957"	NA
"704179"	704179	"3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide"	"CNC(=S)N1CCN(C(=O)C)C1=S"	0	""	""	1	1	"3005457"	NA
"704180"	704180	"N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide"	"O=C(N(C(=S)N1CCN(C(=O)c2ccccc2)C1=S)c3ccccc3)c4ccccc4"	0	""	""	2	1	"396960"	NA
"704200"	704200	"tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate"	"CC1=CN(C2C1C=C(C=C2OCc3ccccc3)N(CC=C)C(=O)OC(C)(C)C)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"396963"	NA
"704205"	704205	"1-(Benzenesulfonyl)-7-benzyloxy-3-methyl-5-nitro-indole"	"Cc1cn(c2c(OCc3ccccc3)cc(cc12)[N+](=O)[O-])S(=O)(=O)c4ccccc4"	0	""	""	1	1	"396968"	NA
"704213"	704213	"methanesulfonamide, n-[3-methyl-7-(phenylmethoxy)-1-(phe..."	"Cc1cn(c2c(OCc3ccccc3)cc(NS(=O)(=O)C)cc12)S(=O)(=O)c4ccccc4"	0	""	""	3	2	"396976"	NA
"704214"	704214	"Ethyl 5-(allyl-methylsulfonyl-amino)-7-methoxy-3-methyl-4-nitro-1h-indole-2-carboxylate"	"CCOC(=O)c1[nH]c2c(OC)cc(N(CC=C)S(=O)(=O)C)c(c2c1C)[N+](=O)[O-]"	0	""	""	1	1	"396977"	NA
"704215"	704215	"N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide"	"Cc1cn(c2c(OCc3ccccc3)cc(N(CC=C)S(=O)(=O)C)c(c12)[N+](=O)[O-])S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	1	"396978"	NA
"704216"	704216	"N-[2-[[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide"	"Cc1cn(c2c(OCc3ccccc3)cc(cc12)N(CC=C)C(=O)CNC(=O)C(F)(F)F)S(=O)(=O)c4ccccc4"	0	""	""	2	2	"396979"	NA
"704218"	704218	"Benzyl 6-[1-(benzenesulfonyl)indol-2-yl]-3-methoxy-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate"	"COC1=CC2C(CC1CN2C(=O)OCc3ccccc3)c4cc5ccccc5n4S(=O)(=O)c6ccccc6"	0	""	""	1	1	"396981"	NA
"704219"	704219	"methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate"	"COC(=O)[C@@]1(CC2CN(C1CC2=O)C(=O)C)c3cc4ccccc4n3S(=O)(=O)c5ccccc5"	0	""	""	2	2	"396982"	NA
"704221"	704221	"methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate"	"COC(=O)[C@@]12CC3CN(C(CBr)c4c1n(c5ccccc45)S(=O)(=O)c6ccccc6)C2C=C3"	0	""	""	1	1	"396984"	NA
"704225"	704225	"methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imida..."	"NCCCN(CCCN)CCc1cn(cn1)C(=O)c2ccccc2"	0	""	""	2	1	"396988"	NA
"704231"	704231	"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one"	"O=C1C2CCCCN2CCc3c1[nH]c4ccccc34"	0	""	""	1	1	"396994"	NA
"704238"	704238	"Methyl(6r)-6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]octane-6-carboxylate"	"COC(=O)[C@@]1(CC2CCC1NC2)c3cc4ccccc4n3S(=O)(=O)c5ccccc5"	0	""	""	1	1	"397001"	NA
"704239"	704239	"8-O-benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate"	"COC(=O)[C@@]1(CC2CN(C1C3OC(C)(C)OC23)C(=O)OCc4ccccc4)c5cc6ccccc6n5S(=O)(=O)c7ccccc7"	0	""	""	1	1	"397002"	NA
"704241"	704241	"methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate"	"COC1C2CN(CC(=C)S(=O)(=O)c3ccccc3)C(C1OC)[C@@](C2)(C(=O)OC)c4cc5ccccc5[nH]4"	0	""	""	2	2	"397004"	NA
"704244"	704244	"AQ-776/42801638"	"COc1ccc2c(CCN)c([nH]c2c1)C(=O)O"	0	""	""	2	1	"397008"	NA
"704278"	704278	"2-(4-Amino-3-methylphenyl)-7-hydroxybenzothiazole"	"Cc1cc(ccc1N)c2nc3cccc(O)c3s2"	0	""	""	1	1	"397016"	NA
"704280"	704280	"4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccc(cc5)C#N)c23"	0	""	""	2	2	"397017"	NA
"704281"	704281	"11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione"	"O=C(c1ccccc1)c2ccc(cc2)n3c4ccccc4c5ccc6C(=O)C=CC(=O)c6c35"	0	""	""	2	2	"397018"	NA
"704282"	704282	"11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione"	"COc1ccc(cc1)C(=O)c2ccc(cc2)n3c4ccccc4c5ccc6C(=O)C=CC(=O)c6c35"	0	""	""	2	2	"397019"	NA
"704283"	704283	"4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol"	"Oc1ccc(O)c2C3OC=CC3C(=Cc12)[N+](=O)[O-]"	0	""	""	2	2	"3424350"	NA
"704284"	704284	"2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g]benzofuran-6,9-dione"	"CC1=CC2C(O1)C3C(=O)C=CC(=O)C3=CC2[N+](=O)[O-]"	0	""	""	2	2	"397021"	NA
"704285"	704285	"4-Nitrobenzo[g]benzofuran-6,9-dione"	"[O-][N+](=O)c1cc2C(=O)C=CC(=O)c2c3occc13"	0	""	""	2	2	"397022"	NA
"704286"	704286	"2-Methyl-4-nitro-benzo[g]benzofuran-6,9-dione"	"Cc1oc2c3C(=O)C=CC(=O)c3cc(c2c1)[N+](=O)[O-]"	0	""	""	2	2	"397023"	NA
"704287"	704287	"6-nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol"	"Oc1ccc(O)c2C3C(Nc4ccccc34)C(=Cc12)[N+](=O)[O-]"	0	""	""	2	2	"5177983"	NA
"704288"	704288	"7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol"	"CN1C2C(c3ccccc13)c4c(O)ccc(O)c4C=C2[N+](=O)[O-]"	0	""	""	2	2	"5132626"	NA
"704312"	704312	"8-chloro-5,5-dioxo-N-(1,3-thiazol-2-yl)imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4nccs4"	0	""	""	1	1	"397030"	NA
"704313"	704313	"N-(2,1,3-benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4cccc5nsnc45"	0	""	""	2	2	"397031"	NA
"704314"	704314	"(2-Methylquinolin-8-yl) 8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxylate"	"Cc1ccc2cccc(OC(=O)c3cc4c(Sc5nccn5S4(=O)=O)cc3Cl)c2n1"	0	""	""	2	1	"397032"	NA
"704315"	704315	"2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile"	"CC1=NN(c2nc(N)nc(n2)C(C#N)C(=O)c3cc4c(Sc5nccn5S4(=O)=O)cc3Cl)C(C)(C)C1"	0	""	""	1	1	"397033"	NA
"704317"	704317	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3ccc(s3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	2	2	"54611464"	NA
"704318"	704318	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3oc(cc3)c4ccc(cc4)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	1	1	"54611462"	NA
"704319"	704319	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C\c3cccn3c4cc(Cl)cc(Cl)c4)\C#N)C(C)(C)C1"	0	""	""	1	1	"6520161"	NA
"704322"	704322	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3cccc(c3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	3	2	"54611463"	NA
"704330"	704330	"2-Chloro-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-N-phenyl-4-sulfanylbenzamide"	"CC1CNC(=NN1)NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S"	0	""	""	1	1	"397048"	NA
"704341"	704341	"4-chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(N2)c4ccccc4"	0	""	""	1	1	"397059"	NA
"704343"	704343	"2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)Nc4nc5cccnc5[nH]4)C(=O)Nc6ccc(Cl)cc6)cc2Cl)S(=O)(=O)Nc7nc8cccnc8[nH]7)cc1"	0	""	""	1	1	"397061"	NA
"704345"	704345	"2-Chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenylbenzamide"	"Clc1ccc2N=C(NS(=O)(=O)c3cc(C(=O)Nc4ccccc4)c(Cl)cc3SSc5cc(Cl)c(cc5S(=O)(=O)NC6=Nc7ccc(Cl)cc7C(N6)c8ccccc8)C(=O)Nc9ccccc9)NC(c%10ccccc%10)c2c1"	0	""	""	2	1	"25077304"	NA
"704346"	704346	"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]benzamide"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)NC4=Nc5ccc(Cl)cc5C(N4)c6ccccc6)C(=O)Nc7ccc(Cl)cc7)cc2Cl)S(=O)(=O)NC8=Nc9ccc(Cl)cc9C(N8)c%10ccccc%10)cc1"	0	""	""	2	1	"25077305"	NA
"704373"	704373	"2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSCC1C(=O)Nc2ccccc12)C(=O)NCC(=O)O)C(=O)O"	0	""	""	2	2	"397066"	NA
"704376"	704376	"(5Z)-5-[[4-[(2R)-4-aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one"	"CCC1=C(C)C(=O)N/C/1=C\c2[nH]c(C)c([C@H](C)CCN)c2C"	0	""	""	1	1	"54611460"	NA
"704387"	704387	"2h-1-benzopyran-2-one, 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-"	"O=C1Oc2ccccc2C=C1c3nnc(s3)c4ccccc4"	0	""	""	2	2	"397074"	NA
"704388"	704388	"TimTec1_008492"	"O=C1Oc2ccccc2C=C1c3cn4ccccc4n3"	0	""	""	2	2	"397075"	NA
"704391"	704391	"STK372674"	"COc1ccc2OC(=O)C(=Cc2c1)c3oc4ccccc4n3"	0	""	""	1	1	"397078"	NA
"704393"	704393	"HTS028333"	"COc1cccc2C=C(C(=O)Nc3ccccn3)C(=N)Oc12"	0	""	""	1	1	"397080"	NA
"704394"	704394	"BAS 01020669"	"Oc1ccc2C=C(C(=O)Nc3ccccn3)C(=N)Oc2c1"	0	""	""	1	1	"135426625"	NA
"704397"	704397	"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-"	"N=C1Oc2ccccc2C=C1C(=O)Nc3nccs3"	0	""	""	2	2	"397084"	NA
"704399"	704399	"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(1-adamantyl)-"	"N=C1Oc2ccccc2C=C1C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	2	2	"397086"	NA
"704402"	704402	"N-(1-adamantyl)-2-imino-8-methoxychromene-3-carboxamide"	"COc1cccc2C=C(C(=O)NC34CC5CC(CC(C5)C3)C4)C(=N)Oc12"	0	""	""	2	2	"397089"	NA
"704408"	704408	"6,8-dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide"	"Clc1cc(Cl)c2OC(=N)C(=Cc2c1)C(=O)Nc3cccc4ccccc34"	0	""	""	2	2	"397095"	NA
"704428"	704428	"STK030831"	"NC(=O)C1=Cc2ccc(O)cc2O/C/1=N/c3ccccc3"	0	""	""	1	1	"135426627"	NA
"704435"	704435	"ChemDiv3_000672"	"CCN(CC)c1ccc2C=C(C(=O)N)\C(=N\c3ccc(F)cc3)\Oc2c1"	0	""	""	1	1	"397122"	NA
"704533"	704533	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"NC1=NC(=O)N(C=C1)C2CCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	"397134"	NA
"704535"	704535	"N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CS(=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1"	0	""	""	1	1	"397136"	NA
"704536"	704536	"N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CS(=O)c2ccc(C)cc2)c3ccc(F)cc3)cc1"	0	""	""	1	1	"397137"	NA
"704537"	704537	"N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CSc2ccc(C)cc2)c3ccc(F)cc3)cc1"	0	""	""	1	1	"397138"	NA
"704543"	704543	"2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4ccccc4[n+]3[O-]"	0	""	""	1	1	"397144"	NA
"704544"	704544	"2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	"COc1cc2c(cc1Cl)[n+]([O-])c(C#N)c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])[n+]2[O-]"	0	""	""	2	2	"397145"	NA
"704545"	704545	"2-quinoxalinecarbonitrile, 7-methoxy-3-[4-(4-nitrophenyl..."	"COc1ccc2c(c1)[n+]([O-])c(C#N)c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])[n+]2[O-]"	0	""	""	2	2	"397146"	NA
"704552"	704552	"1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(c12)n3ccnc3"	0	""	""	2	2	"397151"	NA
"704556"	704556	"1,3,6-Tribromocyclopenta[c]thiophen-4-one"	"BrC1=CC(=O)c2c(Br)sc(Br)c12"	0	""	""	2	2	"397155"	NA
"704557"	704557	"1,3-Dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)CC(NCCCNC3CC(=O)c4c(Br)sc(Br)c34)c12"	0	""	""	2	1	"397156"	NA
"704558"	704558	""	"CCCOc1c2Cc3cc(COC4OC(CO)C(O)C(O)C4O)cc(Cc5cc(COC6OC(CO)C(O)C(O)C6O)cc(Cc7cc(COC8OC(CO)C(O)C(O)C8O)cc(Cc1cc(COC9OC(CO)C(O)C(O)C9O)c2)c7OCCC)c5OCCC)c3OCCC"	0	NA	NA	1	1	"528451"	NA
"704561"	704561	"3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione"	"CCCCN1C(=S)N(CCCC)C2=C1SSC3=C(N(CCCC)C(=S)N3CCCC)C4=C(SSC5=C(N(CCCC)C(=S)N5CCCC)C6=C(SSC7=C2N(CCCC)C(=S)N7CCCC)N(CCCC)C(=S)N6CCCC)N(CCCC)C(=S)N4CCCC"	0	""	""	2	2	"397158"	NA
"704562"	704562	""	"C(NC1C2CCC(C2)C1c3c[nH]c4ccccc34)c5cccc(CNC6C7CCC(C7)C6c8c[nH]c9ccccc89)c5"	0	NA	NA	2	1	"528455"	NA
"704563"	704563	""	"C(NC1C2CCC(C2)C1c3c[nH]c4ccccc34)c5cccc(CNC6C7CCC(C7)C6c8c[nH]c9ccccc89)c5"	0	NA	NA	2	1	"528456"	NA
"704565"	704565	"RE 1492"	"C(CCc1ccccc1)CNCc2cc(CNCCCCc3ccccc3)cc(CNCCCCc4ccccc4)c2"	0	""	""	2	1	"163878"	NA
"704578"	704578	"tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C5CCCCC5)N2C1=O"	0	""	""	1	1	"397173"	NA
"704582"	704582	"tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate"	"CC(C)CC1N2[C@@H](Cc3c1[nH]c4ccccc34)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C2=O"	0	""	""	1	1	"397177"	NA
"704583"	704583	"(8S)-5-[(2-methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione"	"CC(C)CC1N2[C@@H](Cc3c1[nH]c4ccccc34)C(=O)NC(COC(C)(C)C)C2=O"	0	""	""	1	1	"397178"	NA
"704587"	704587	"5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one"	"COc1cc(cc(C)c1O)C2=COc3c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c(O)c3C2=O"	0	""	""	1	1	"5470694"	NA
"704588"	704588	"3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one"	"COc1cc(cc(OC)c1C)C2=COc3c(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3C2=O"	0	""	""	2	1	"397182"	NA
"704592"	704592	"[C-(5-nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate"	"[O-][N+](=O)c1oc(cc1)\C(=N\c2ccccc2)\SS\C(=N/c3ccccc3)\c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"397185"	NA
"704593"	704593	"[N-(4-methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate"	"COc1ccc(cc1)\N=C(\SS\C(=N\c2ccc(OC)cc2)\c3oc(cc3)[N+](=O)[O-])/c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	"397186"	NA
"704600"	704600	"2-butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide"	"CCC(C)C(C(=O)N\N=C/1\SCC(=O)N1C)C(=O)N\N=C/2\SCC(=O)N2C"	0	""	""	1	1	"9572137"	NA
"704602"	704602	"(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide"	"O=C1N2CCC[C@H]2CS1(=O)=O"	0	""	""	1	1	"397195"	NA
"704604"	704604	"2,4-dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid"	"CN1C(=O)N(C)c2nc3NC(Cn3c2C1=O)C(=O)O"	0	""	""	1	1	"397197"	NA
"704607"	704607	"STK116989"	"O=C(NCc1cccnc1)C(=O)NCc2cccnc2"	0	""	""	1	1	"397198"	NA
"704612"	704612	"(3S,8R,9S,10R,13S,14S,16E)-3-hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	"5470700"	NA
"704614"	704614	"(8R,9S,10R,13S,14S,16E)-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	2	2	"5470702"	NA
"704615"	704615	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1cc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC3)OC(=O)C)C)=N/O)cc(OC)c1OC"	0	""	""	2	2	"9572139"	NA
"704617"	704617	"7,8-dichloro-N-[2-[2-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1cn(C)c2c1ccc3cc(Cl)c(Cl)cc23)CCNC(=O)c4cn(C)c5c4ccc6cc(Cl)c(Cl)cc56"	0	""	""	2	2	"397208"	NA
"704618"	704618	"7-chloro-N-[2-[2-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1cn(C)c2c1ccc3cc(Cl)ccc23)CCNC(=O)c4cn(C)c5c4ccc6cc(Cl)ccc56"	0	""	""	2	1	"397209"	NA
"704619"	704619	"7,8-dichloro-N-[3-[3-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCCNC(=O)c1cn(C)c2c1ccc3cc(Cl)c(Cl)cc23)CCCNC(=O)c4cn(C)c5c4ccc6cc(Cl)c(Cl)cc56"	0	""	""	2	1	"397210"	NA
"704620"	704620	"7-chloro-N-[3-[3-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCCNC(=O)c1cn(C)c2c1ccc3cc(Cl)ccc23)CCCNC(=O)c4cn(C)c5c4ccc6cc(Cl)ccc56"	0	""	""	2	1	"397211"	NA
"704622"	704622	"N-[2-[2-(1H-benzo[g]indole-3-carbonylamino)ethyl-methylamino]ethyl]-1H-benzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1c[nH]c2c1ccc3ccccc23)CCNC(=O)c4c[nH]c5c4ccc6ccccc56"	0	""	""	2	1	"397214"	NA
"704623"	704623	"1-methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbothioyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carbothioamide"	"CN(CCNC(=S)c1cn(C)c2c1ccc3ccccc23)CCNC(=S)c4cn(C)c5c4ccc6ccccc56"	0	""	""	1	1	"5470705"	NA
"704626"	704626	"indolo[3,4-d]benzazepin-6(5h)-one, 9-cyano-7,12-dihydro-"	"O=C1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1"	0	""	""	1	1	"397216"	NA
"704634"	704634	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6ccccc6"	0	""	""	1	1	"5470706"	NA
"704637"	704637	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"CCN(CC)c1ccc(\C=C\C2=NN(c3cccc(c3)S(=O)(=O)O)C4(C2)C(Cl)C(=O)N4c5nc6ccccc6s5)cc1"	0	""	""	2	1	"5470709"	NA
"704638"	704638	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"COc1ccccc1\C=C\C2=NN(c3cccc(c3)S(=O)(=O)O)C4(C2)C(Cl)C(=O)N4c5nc6ccccc6s5"	0	""	""	2	2	"5470710"	NA
"704639"	704639	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6ccccc6Cl"	0	""	""	1	1	"5470711"	NA
"704640"	704640	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6cccs6"	0	""	""	1	1	"5470712"	NA
"704641"	704641	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"C\C=C\C=C\C1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	2	1	"5470713"	NA
"704651"	704651	"3-[4-(1,3-benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"CC(C)C\C=C\C1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	"5470723"	NA
"704653"	704653	"3-[4-(1,3-benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23SCC(=O)N3c4nc5ccccc5s4)\C=C\C=C\c6ccccc6"	0	""	""	1	1	"5470725"	NA
"704657"	704657	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"CC1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	2	2	"397240"	NA
"704663"	704663	"1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid"	"OC(=O)C1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	"397246"	NA
"704665"	704665	"4-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"CC1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	"397248"	NA
"704669"	704669	"4-(1,3-Benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid"	"OC(=O)C1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	"397252"	NA
"704782"	704782	"2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide"	"Sc1ccccc1C(=O)NNC(=O)c2ccccc2SSc3ccccc3C(=O)NNC(=O)c4ccccc4S"	0	""	""	2	2	"397254"	NA
"704783"	704783	"RT-014053"	"O=C1NNC(=O)c2ccccc2SSc3ccccc3C(=O)NNC(=O)c4ccccc4SSc5ccccc15"	0	""	""	2	2	"397255"	NA
"704784"	704784	"ACM292615419"	"Sc1ccccc1C(=O)NNC(=O)c2ccccc2S"	0	""	""	2	2	"397256"	NA
"704787"	704787	"2-(2-chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	"CC(Oc1ccccc1Cl)C(=O)NN2C(SCC2=O)c3ccc(Cl)cc3"	0	""	""	1	1	"397259"	NA
"704788"	704788	"2-(2,4-dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	"CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	"397260"	NA
"704789"	704789	"2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	"COc1ccc(cc1)C2SCC(=O)N2NC(=O)C(C)Oc3ccc(Cl)cc3Cl"	0	""	""	1	1	"397261"	NA
"704791"	704791	"2-(2-methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	"CC(Oc1ccccc1C)C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	"397263"	NA
"704795"	704795	"2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	"CC(Oc1ccccc1Cl)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccc(Cl)cc3"	0	""	""	1	1	"397267"	NA
"704796"	704796	"2-(2,4-dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide"	"CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccccc3"	0	""	""	1	1	"397268"	NA
"704799"	704799	"2-(2-methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	"CC(Oc1ccccc1C)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccc(C)cc3"	0	""	""	1	1	"397271"	NA
"704822"	704822	"4h-1-benzopyran-4-one, 6,8-difluoro-7-methyl-5-(dimethyl..."	"CN(C)CC(=O)Nc1ccc(cc1F)C2=CC(=O)c3c(NC(=O)CN(C)C)c(F)c(C)c(F)c3O2"	0	""	""	1	1	"397280"	NA
"704823"	704823	"4h-1-benzopyran-4-one, 5-amino-6,8-difluoro-7-methyl-2-[..."	"CN(C)CC(=O)Nc1ccc(cc1F)C2=CC(=O)c3c(N)c(F)c(C)c(F)c3O2"	0	""	""	3	2	"397281"	NA
"704848"	704848	"1-(4-chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea"	"Clc1ccc(NC(=S)Nc2sc3CN(CCc3c2C#N)N4CCc5c(C4)sc(NC(=S)Nc6ccc(Cl)cc6)c5C#N)cc1"	0	""	""	1	1	"5470733"	NA
"704851"	704851	"1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea"	"CCNC(=S)\N=C\1/SC(=Nc2sc3CN(CCc3c12)N4CCc5c(C4)sc6N=C(NCC)S\C(=N/C(=S)NCC)\c56)NCC"	0	""	""	1	1	"5470736"	NA
"704853"	704853	"1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea"	"S=C(NCc1ccccc1)\N=C\2/SC(=Nc3sc4CN(CCc4c23)N5CCc6c(C5)sc7N=C(NCc8ccccc8)S\C(=N/C(=S)NCc9ccccc9)\c67)NCc%10ccccc%10"	0	""	""	4	2	"5470738"	NA
"704856"	704856	"(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one"	"O=C1N\C(=N\N=C\c2cccs2)\N/C/1=C\c3occc3"	0	""	""	1	1	"135471536"	NA
"704857"	704857	"(4Z)-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one"	"O=C1N\C(=N\N=C\c2c[nH]c3ccccc23)\N/C/1=C\c4cccs4"	0	""	""	1	1	"135440628"	NA
"704862"	704862	"(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one"	"OCC(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C\c2occc2)\N1"	0	""	""	1	1	"135505209"	NA
"704863"	704863	"(5E)-5-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C\c2c[nH]c3ccccc23)\N1"	0	""	""	1	1	"135505210"	NA
"704868"	704868	"(4Z)-2-butylsulfanyl-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one"	"CCCCSC1=N\C(=C/c2ccc(cc2)N(C)C)\C(=O)N1"	0	""	""	1	1	"135505211"	NA
"704873"	704873	"(4Z)-4-[(2-hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"Oc1ccccc1\C=C\2/N=C(NNc3ccccc3)NC2=O"	0	""	""	1	1	"135505214"	NA
"704875"	704875	"(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"CN(C)c1ccc(\C=C\2/N=C(NNc3ccccc3)NC2=O)cc1"	0	""	""	1	1	"135505216"	NA
"704881"	704881	"1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-bromobutyl)-5-methyl-pyrimidine-2,4-dione"	"CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N(CCCCBr)C1=O"	0	""	""	1	1	"397325"	NA
"704883"	704883	"diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C(=O)N(C=C(C)C1=O)C2CC(N=[N+]=[N-])C(CO)O2)\C(=O)OCC"	0	""	""	1	1	"5470763"	NA
"704885"	704885	"2-butenedioic acid, 2-[5-iodo-2,4-dioxo-3-(2-propynyl)-1..."	"CCOC(=O)\C=C(\N1C=C(I)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5470765"	NA
"704886"	704886	"2-butenedioic acid, 2-[5-chloro-2,4-dioxo-3-(2-propynyl)..."	"CCOC(=O)\C=C(\N1C=C(Cl)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	"5470766"	NA
"704887"	704887	"2-butenedioic acid, 2-[5-chloro-3-(2-ethoxy-2-oxoethyl)-..."	"CCOC(=O)CN1C(=O)N(C=C(Cl)C1=O)\C(=C/C(=O)OCC)\C(=O)OCC"	0	""	""	2	2	"5470767"	NA
"704888"	704888	"2-butenedioic acid, 2-[5-chloro-3-(2-ethoxy-2-oxoethyl)-..."	"CCOC(=O)CN1C(=O)N(C=C(Cl)C1=O)\C(=C\C(=O)OCC)\C(=O)OCC"	0	""	""	2	2	"5470768"	NA
"704894"	704894	"4-amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one"	"CCOP(=O)(OCC)\C=C/N1C=CC(=NC1=O)N"	0	""	""	1	1	"5470774"	NA
"704944"	704944	"(6R,6aS,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one"	"COc1ccc2C(=O)[C@]3(O)[C@H](Oc2c1)[C@@H](OC4OC(CO)C(O)C(O)C4O)Oc5cc(OC)c(OC)cc35"	0	""	""	1	1	"397341"	NA
"704946"	704946	"11-Deoxyclitoriacetal"	"COc1ccc2C(=O)[C@]3(O)[C@H](Oc2c1)C(O)Oc4cc(OC)c(OC)cc34"	0	""	""	1	1	"397343"	NA
"704964"	704964	"[(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate"	"COC1=CC(=O)N([C@H]1Cc2ccccc2)C(=O)[C@@H](OC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc5ccccc5)C(C)C)C(C)C)C(C)C"	0	""	""	1	1	"397354"	NA
"704969"	704969	"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide"	"COc1ccc(CNC(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(Cc3ccccc3)Cc4ccccc4)C(C)C)cc1OC"	0	""	""	2	1	"5470782"	NA
"704970"	704970	"(2S)-N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide"	"CC(C)[C@H](NC(=O)[C@H](C(C)C)N(Cc1ccccc1)Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](C)C(=O)NCc4ccc5OCOc5c4"	0	""	""	2	1	"397360"	NA
"704971"	704971	"(2S)-N-[(2R)-1-[(2,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxamide"	"CCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)NCc2ccc(OC)cc2OC"	0	""	""	2	2	"397361"	NA
"704972"	704972	"(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide"	"COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(Cc3ccccc3)Cc4ccccc4)C(C)C)c(OC)c1"	0	""	""	1	1	"397362"	NA
"705016"	705016	"(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene"	"O1[C@@H]2[C@H]1c3cccc4[C@@H]5O[C@@H]5c6cccc2c6c34"	0	""	""	1	1	"397363"	NA
"705017"	705017	"(2S,4R,10R,12S)-6-nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene"	"[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	2	"397364"	NA
"705020"	705020	"(2R,4S,10R,12S)-6-bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene"	"Brc1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	"397367"	NA
"705021"	705021	"1-[(2S,4R,10R,12S)-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone"	"CC(=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	2	"397368"	NA
"705022"	705022	"1-[(2R,4S,10R,12S)-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone"	"CC(=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	"397369"	NA
"705023"	705023	"[(2S,4R,10R,12S)-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate"	"CC(=O)Oc1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	1	"397370"	NA
"705024"	705024	"[(2R,4S,10R,12S)-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate"	"CC(=O)Oc1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	"397371"	NA
"705027"	705027	"(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane"	"C[C@]12O[C@@]3(C)O[C@@]3(C)[C@]4(C)O[C@]4(C)[C@@]1(C)O2"	0	""	""	1	1	"397374"	NA
"705028"	705028	""	"O1[C@@H]2[C@@H]3O[C@@H]3[C@@H]4O[C@@H]4[C@H]5O[C@H]5[C@H]12"	0	NA	NA	1	1	"528688"	NA
"705079"	705079	"5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid"	"OC(=O)c1nc(c2ccccn2)c(nc1C(=O)O)c3ccccn3"	0	""	""	2	2	"397377"	NA
"705084"	705084	"4-butanediyldihydroguaiaretic acid"	"COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O"	0	""	""	2	1	"161924"	NA
"705128"	705128	"(E)-1-dimethoxyphosphorylbut-2-en-1-ol"	"COP(=O)(OC)C(O)\C=C\C"	0	""	""	2	1	"5470785"	NA
"705144"	705144	"(1r,6r)-8-Ethyl-7,9-dimethyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide"	"CCP1(=O)N(C)[C@@H]2CCCC[C@H]2N1C"	0	""	""	1	1	"397403"	NA
"705149"	705149	"(E)-1-[(4R,5R)-1,3-dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol"	"OC(\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]([C@H](N2Cc4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	3	2	"5470796"	NA
"705157"	705157	""	"CC(=O)OC(\C=C\c1ccccc1)P2(=O)N(CC(C)(C)C)[C@@H]3CCCC[C@H]3N2CC(C)(C)C"	0	NA	NA	2	1	"528728"	NA
"705162"	705162	"3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	"CC(C)(C)OC(=O)NC1CC2(OC1=O)C=C(Br)C(=O)C(=C2)Br"	0	""	""	2	2	"397416"	NA
"705163"	705163	"Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate"	"CCOC(=O)C1=NOC2(C1)C=C(Br)C(=O)C(=C2)Br"	0	""	""	2	2	"397417"	NA
"705167"	705167	"DA-39244"	"COCOc1cc(OC)ccc1C=O"	0	""	""	1	1	"397421"	NA
"705262"	705262	"ap5p197"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	"397427"	NA
"705287"	705287	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"54685701"	NA
"705289"	705289	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccc(Cl)cc3"	0	""	""	1	1	"5470804"	NA
"705290"	705290	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3c(F)cccc3F)\c4ccccc4"	0	""	""	1	1	"5470805"	NA
"705291"	705291	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	""	""	2	2	"5470806"	NA
"705292"	705292	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccc(Cl)cc4)c5ccccc5"	0	""	""	1	1	"5470807"	NA
"705293"	705293	"3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one"	"CCSC1=C(C)C2=C(Cc3ccccc3C2)N(Cc4ccc(OC)cc4)C1=O"	0	""	""	1	1	"397435"	NA
"705297"	705297	"3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methyl-benzo[g]quinolin-2-one"	"COC1=C(C)c2cc3ccccc3cc2N(Cc4ccc(OC)cc4)C1=O"	0	""	""	1	1	"397439"	NA
"705305"	705305	"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] trifluoromethanesulfonate"	"COc1ccc(CN2C(=O)C(=CC3=C2c4ccccc4C3)OS(=O)(=O)C(F)(F)F)cc1"	0	""	""	2	2	"397447"	NA
"705316"	705316	"22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one"	"O=C1N2CCc3c([nH]c4ccccc34)C25CC6CCCCC16S5"	0	""	""	1	1	"397458"	NA
"705318"	705318	"7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one"	"O=C1N(c2ccccc2)C3(CC4CCCC14S3)c5ccccc5"	0	""	""	1	1	"397460"	NA
"705320"	705320	"1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one"	"COc1ccc(CC(=O)N2CCC3(C)CC(=O)CC=C23)cc1OC"	0	""	""	1	1	"397462"	NA
"705323"	705323	"Methyl 1-(6-bromo1,3-benzodioxole-5-carbonyl)indoline-5-carboxylate"	"COC(=O)c1ccc2N(CCc2c1)C(=O)c3cc4OCOc4cc3Br"	0	""	""	2	2	"397465"	NA
"705324"	705324	"Methyl 5-[(6-bromo1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate"	"COC(=O)c1oc(NC(=O)c2cc3OCOc3cc2Br)cc1"	0	""	""	1	1	"397466"	NA
"705326"	705326	"tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate"	"CC(C)c1coc(c1)N(CCC(=C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	"397468"	NA
"705327"	705327	"(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide"	"CC(C)(C)N(Cc1ccc2OCOc2c1)C(=O)\C=C/Sc3ccccc3"	0	""	""	1	1	"5470808"	NA
"705328"	705328	"(3Z)-1-tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one"	"CC(C)(C)N1CC(C)(C(O)c2ccccc2)\C(=C\Sc3ccccc3)\C1=O"	0	""	""	1	1	"5470809"	NA
"705330"	705330	"(Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide"	"CC(C)(C)N(Cc1ccc2OCOc2c1)C(=O)\C=C/S(=O)c3ccccc3"	0	""	""	2	2	"5470811"	"207350092"
"705331"	705331	"2-propenamide, n-(1,1-dimethylethyl)-n-(phenylmethyl)- 3..."	"CC(C)(C)N(Cc1ccccc1)C(=O)\C=C/S(=O)c2ccccc2"	0	""	""	2	1	"5470812"	NA
"705332"	705332	"(Z)-N-tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide"	"CC(C)(C)NC(=O)\C(=C/Sc1ccccc1)\c2ccccc2"	0	""	""	2	1	"5470813"	NA
"705333"	705333	"(4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one"	"COc1cc2CN(C(=O)\C(=C/Sc3ccccc3)\c2c(OC)c1)C(C)(C)C"	0	""	""	1	1	"5470814"	NA
"705334"	705334	"2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one"	"CC(C)(C)N1Cc2ccccc2\C(=C\Sc3ccccc3)\C1=O"	0	""	""	2	1	"5470815"	NA
"705335"	705335	"(Z)-N-tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide"	"COc1cccc(CN(C(=O)\C=C/Sc2ccccc2)C(C)(C)C)c1"	0	""	""	1	1	"5470816"	NA
"705336"	705336	"(Z)-N-tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide"	"C\C(=C\c1ccccc1)\CN(C(=O)\C=C/Sc2ccccc2)C(C)(C)C"	0	""	""	2	1	"5470817"	NA
"705435"	705435	"[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](\N=C\c4ccc(cc4)C(=O)O[C@H]([C@@H](NC(=O)c5ccccc5)c6ccccc6)C(=O)O[C@H]7C[C@@]8(O)[C@@H](OC(=O)c9ccccc9)[C@@H]%10[C@@]%11(CO[C@@H]%11C[C@H](O)[C@@]%10(C)C(=O)[C@H](OC(=O)C)C(=C7C)C8(C)C)OC(=O)C)c%12cc%13OCOc%13cc2%12"	0	""	""	2	2	"16129931"	NA
"705436"	705436	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] 4-[[(5S,9R)-9-(4-hydroxy-3-methoxy-5-methylphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate"	"COc1cc(cc(C)c1O)[C@H]2C3C(COC3=O)[C@H](\N=C\c4ccc(cc4)C(=O)O[C@H]5C[C@H]6OC[C@@]6(OC(=O)C)[C@H]7[C@H](OC(=O)c8ccccc8)[C@]9(O)C[C@H](OC(=O)[C@H](OC(=O)c%10ccc(\C=N\[C@H]%11[C@H]%12COC(=O)[C@@H]%12[C@H](c%13cc(OC)c(O)c(OC)c%13)c%14cc%15OCOc%15cc%11%14)cc%10)[C@@H](NC(=O)c%16ccccc%16)c%17ccccc%17)C(=C([C@@H](OC(=O)C)C(=O)[C@]57C)C9(C)C)C)c%18cc%19OCOc%19cc2%18"	0	""	""	2	2	"16129932"	NA
"705437"	705437	"[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 4-[[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]benzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)\N=C/c5ccc(cc5)C(=O)O[C@H]([C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=O)O[C@H]8C[C@@]9(O)[C@@H](OC(=O)c%10ccccc%10)[C@@H]%11[C@@]%12(CO[C@@H]%12C[C@H](O)[C@@]%11(C)C(=O)[C@H](OC(=O)C)C(=C8C)C9(C)C)OC(=O)C)c%13cc%14OCOc%14cc2%13"	0	""	""	2	2	"16129933"	NA
"705524"	705524	"1h-benzo[a]carbazole-1,4(11h)-dione, 11-(2-nitrophenyl)-"	"[O-][N+](=O)c1ccccc1n2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24"	0	""	""	2	2	"397482"	NA
"705533"	705533	"Kuanoniamine C"	"CCC(=O)NCCc1c2Nc3ccccc3c4ccnc(c5ncsc15)c24"	0	""	""	3	2	"397485"	"133401124"
"705534"	705534	"faradiol"	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC=C1C"	0	""	""	2	2	"397486"	NA
"705584"	705584	"1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione"	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O"	0	""	""	2	1	"5470820"	NA
"705588"	705588	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(c3)[N+](=O)[O-])\C2=O)cc1[N+](=O)[O-]"	0	NA	NA	2	1	"528820"	NA
"705591"	705591	""	"COc1cc(\C=C\2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)\C2=O)cc(OC)c1O"	0	NA	NA	2	2	"528822"	NA
"705600"	705600	"N-(4-fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine"	"Fc1ccc(Nc2nnc(s2)c3ccccn3)cc1"	0	""	""	1	1	"397505"	NA
"705627"	705627	"Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-"	"Nc1ccc(cc1CO)c2nc3ccccc3s2"	0	""	""	2	2	"397506"	NA
"705636"	705636	"(8R,9S,10R,13S,14S,17S)-17-acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"	"O=C1CC[C@@H]2[C@H]3CC[C@@H]4[C@H](CC[C@H]4[C@@H]3CCC2=C1)Oc5c6ccccc6nc7ccccc57"	0	""	""	1	1	"397510"	NA
"705638"	705638	"[(8R,9S,13S,14S,17S)-17-acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2Oc6c7ccccc7nc8ccccc68"	0	""	""	1	1	"397512"	NA
"705701"	705701	"Alsterpaullone"	"[O-][N+](=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	3	2	"5005498"	NA
"705813"	705813	"3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-"	"CS(=O)(=O)c1nc(cc2CCCCc12)c3cc4CCCCc4c(n3)S(=O)(=O)C"	0	""	""	2	2	"397515"	NA
"705814"	705814	"1-methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline"	"CS(=O)(=O)c1nc(cc2CCCc12)c3cc4CCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	"397516"	NA
"705815"	705815	"1-Methylsulfonyl-3-(1-methylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	"CS(=O)(=O)c1nc(cc2CCCCc12)c3cc4CCCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	"397517"	NA
"705816"	705816	"1-methylsulfanyl-3-(3-methylsulfanyl-1,2,4-triazin-5-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine"	"CSc1nncc(n1)c2cc3CCCc3c(SC)n2"	0	""	""	1	1	"397518"	NA
"705819"	705819	"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	"CS(=O)(=O)c1nc(cc2CCCc12)c3cc4CCCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	"397521"	NA
"705840"	705840	"DNDI1388178"	"CC1CC(=Nc2ccccc2N1Cc3ccccc3)NC4CCCCC4"	0	""	""	2	1	"135426651"	NA
"705842"	705842	"1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine"	"CC1CC(=Nc2ccccc2N1C)N3CCOCC3"	0	""	""	1	1	"397534"	NA
"705847"	705847	"(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine"	"CC1CN(C)c2ccccc2N=C1NN"	0	""	""	1	1	"397539"	NA
"705850"	705850	"STK533980"	"Oc1nc(S)nc2Oc3nc(S)nc(O)c3C(c4ccc(Cl)cc4)c12"	0	""	""	1	1	"3003719"	NA
"705867"	705867	"1-Methyl-3-[2-(1-methylindol-3-yl)thiazol-4-yl]indole"	"Cn1cc(c2csc(n2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	1	1	"397547"	NA
"705868"	705868	"2-(1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole"	"COc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccccc45"	0	""	""	2	2	"397548"	NA
"705869"	705869	"2-(5-bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	"Brc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	1	"397549"	NA
"705870"	705870	"4-(5-bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	"Brc1ccc2c(c[nH]c2c1)c3nc(cs3)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	2	"397550"	NA
"705871"	705871	"1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-"	"Brc1ccc2[nH]cc(c3csc(n3)c4ccccn4)c2c1"	0	""	""	2	2	"397551"	NA
"705873"	705873	"3-(3,4-Dihydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O"	0	""	""	1	1	"397553"	NA
"705874"	705874	"1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea"	"NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c4ccccc4)cc2)cc1"	0	""	""	1	1	"397554"	NA
"705875"	705875	"4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide"	"NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N"	0	""	""	1	1	"397555"	NA
"705885"	705885	"N-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	"CS(=O)(=O)Nc1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1"	0	""	""	2	2	"397557"	NA
"705886"	705886	"N-[3-methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	"COc1cc(NS(=O)(=O)C)ccc1Nc2ccnc3ccc4[nH]ccc4c23"	0	""	""	1	1	"397559"	NA
"705887"	705887	"N-[4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride"	"Cc1cc(Nc2ccc(NS(=O)(=O)C)cc2)c3c(ccc4[nH]ccc34)n1"	0	""	""	1	1	"397561"	NA
"705889"	705889	"N-[4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride"	"CS(=O)(=O)Nc1ccc(cc1)N2Cc3c[nH]c4ccc5nccc2c5c34"	0	""	""	1	1	"397565"	NA
"705891"	705891	"N-[4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride"	"Cc1cc2N(Cc3c[nH]c4ccc(n1)c2c34)c5ccc(NS(=O)(=O)C)cc5"	0	""	""	1	1	"397569"	NA
"705894"	705894	"3-Indolizin-2-ylchromen-2-one"	"O=C1Oc2ccccc2C=C1c3cc4ccccn4c3"	0	""	""	1	1	"397574"	NA
"705895"	705895	"2h-1-benzopyran-2-one, 6-hexyl-7-hydroxy-3-(imidazo[1,2-..."	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4ccccc4n3"	0	""	""	2	2	"5470855"	NA
"705896"	705896	"STL141036"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4ccsc4n3"	0	""	""	4	2	"5470856"	NA
"705897"	705897	"STK054773"	"O=C1Oc2ccc3ccccc3c2C=C1c4cn5c6ccccc6sc5n4"	0	""	""	1	1	"397577"	NA
"705898"	705898	"(9R)-9,10-dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"CN1C(=O)C(C2C[C@@]1(C)Oc3ccccc23)C(=O)Nc4ccccn4"	0	""	""	1	1	"397578"	NA
"705899"	705899	"(9R)-N-(1-adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"C[C@@]12CC(C(C(=O)NC34CC5CC(CC(C5)C3)C4)C(=O)N1)c6ccccc6O2"	0	""	""	1	1	"397579"	NA
"705901"	705901	"2-(1-adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione"	"O=C1NC(=CC2=C1C(=O)Oc3ccccc23)C45CC6CC(CC(C6)C4)C5"	0	""	""	2	2	"397581"	NA
"705902"	705902	"16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile"	"O=C1NC23CCCCC2C(C1C#N)c4ccccc4O3"	0	""	""	1	1	"397582"	NA
"705925"	705925	"EN300-25990"	"CCC1=C(C#N)C(=S)NC2=C1CCC2"	0	""	""	1	1	"794510"	NA
"705927"	705927	"STK524933"	"CC1(C)CC(=O)C2=C(C1)NC(=C(C#N)C2c3ccc(Br)cc3)SCC(=O)O"	0	""	""	1	1	"397586"	NA
"705928"	705928	"2-[1-[(Z)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile"	"COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)\C(=O)c3ccc(Cl)cc3)cc1OC"	0	""	""	2	2	"5470857"	NA
"705930"	705930	"[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone"	"COc1ccc(cc1OC)C2CC(=Nc3ccccc3S2)c4cc5c(C)c(oc5cc4O)C(=O)c6ccccc6"	0	""	""	2	1	"397589"	NA
"705931"	705931	"[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol"	"CC[C@H]1CN2CC[C@H]1C[C@H]2C(O)c3ccnc4ccc(OCCN5CCN(CCOc6ccc7nccc(C(O)[C@H]8CC9CCN8C[C@H]9CC)c7c6)CC5)cc34"	0	""	""	1	1	"397590"	NA
"705935"	705935	"1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one"	"O=C1NCN(c2ccccc2)C13CCN(CCc4ccc5NC(=S)Nc5c4)CC3"	0	""	""	1	1	"5470860"	NA
"705936"	705936	"5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione"	"Fc1ccc(cc1)C(=C2CCN(CCc3ccc4NC(=S)Nc4c3)CC2)c5ccc(F)cc5"	0	""	""	2	2	"5470861"	NA
"705937"	705937	"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione"	"CC(C)(C)c1cc(c2SC(=S)Oc2c1O)C(C)(C)C"	0	""	""	2	1	"397596"	NA
"705941"	705941	"2-[[5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidenemethyl)thiophen-2-yl]methylidene]propanedinitrile"	"N#CC(=Cc1ccc(C=C2SC3=C(SCCS3)S2)s1)C#N"	0	""	""	1	1	"397600"	NA
"705942"	705942	"1,2-bis[bis(2-methylthiophenyl)phosphino]ethane"	"CSc1ccccc1P(CCP(c2ccccc2SC)c3ccccc3SC)c4ccccc4SC"	0	""	""	4	4	"397601"	NA
"705945"	705945	"(2R,3R,6R)-6-(2-hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one"	"Oc1ccccc1S[C@@H]2CC(=O)C=CC23O[C@@H]([C@H](O3)c4ccccc4)c5ccccc5"	0	""	""	2	2	"397604"	NA
"705948"	705948	"3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene"	"CSc1ccsc1c2sc(cc2SC)c3cc(SC)c(s3)c4sc(cc4SC)c5cc(SC)c(s5)c6sccc6SC"	0	""	""	1	1	"397607"	NA
"705954"	705954	"1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione"	"CN1P(OCCN(CCOP2N(C)C(=O)N(C)C(=O)N2C)P3(=O)NCCCO3)N(C)C(=O)N(C)C1=O"	0	""	""	1	1	"397612"	NA
"705973"	705973	"10,26-dioxabicyclo[23.3.1]nonacosa- 5,7,13,19,28-pentaen..."	"COC(CCC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(CC(OC)\C=C\C1C)OC)OC)[C@H]2O)OC"	0	""	""	2	2	"5470863"	NA
"705995"	705995	"EH00087"	"N\C(=N/c1ccccc1)\c2ccccc2N"	0	""	""	1	1	"397632"	NA
"705998"	705998	"EH00091"	"N\C(=N/c1ccc(Cl)cc1)\c2ccccc2N"	0	""	""	1	1	"397635"	NA
"705999"	705999	"EH00093"	"N\C(=N/c1ccc(Cl)c(Cl)c1)\c2ccccc2N"	0	""	""	1	1	"397636"	NA
"706000"	706000	"2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	"397637"	NA
"706001"	706001	"2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNOCCONCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	1	1	"397639"	NA
"706002"	706002	"2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCNCCCCNCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	"397641"	NA
"706003"	706003	"2-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCCNCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	"397643"	NA
"706008"	706008	""	"Cc1ccc(CNNC(=O)c2cc[n+]([BH2+3][C-]#N)cc2)cc1"	0	NA	NA	2	1	"582455"	NA
"706010"	706010	"(7E)-5-ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CCN1CC2C(N(N=C2\C(=C\c3cc(OC)c(OC)c(OC)c3)\C1)c4ccccc4)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	"5470866"	NA
"706012"	706012	"(8E)-6-ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione"	"CCN1C\C(=C/c2cc(OC)c(OC)c(OC)c2)\C3=C(C1)C(NC(=S)N3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"5470868"	NA
"706013"	706013	"(5Z,13E)-8-(4-chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one"	"CCN1C\C(=C/c2ccc(Cl)cc2)\C3=C(C1)C(N4C(=N3)S\C(=C/c5ccc(Cl)cc5)\C4=O)c6ccc(Cl)cc6"	0	""	""	1	1	"5470869"	NA
"706015"	706015	"RSC007125"	"CCN1C\C(=C/c2ccc(Cl)cc2)\C3=C(C1)C(C(=C(N)O3)C#N)c4ccc(Cl)cc4"	0	""	""	1	1	"5285732"	NA
"706017"	706017	"16-(3',4',5'-trimethoxybenzylidene)-17a-aza-d-homo-4-and..."	"COc1cc(\C=C/2\C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)NC2=O)cc(OC)c1OC"	0	""	""	1	1	"5470872"	NA
"706018"	706018	"3.beta.-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)-..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)N6CCCC6)cc(OC)c1OC"	0	""	""	2	1	"5470873"	NA
"706019"	706019	"17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C=C(CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)N6CCCC6)cc(OC)c1OC"	0	""	""	2	1	"5470874"	NA
"706023"	706023	"(4Z)-2-butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one"	"CCCCSC1=N\C(=C/c2occc2)\C(=O)N1"	0	""	""	1	1	"135505222"	NA
"706025"	706025	"(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"O=C1NC(=N/C/1=C\c2occc2)NNc3ccccc3"	0	""	""	1	1	"135505223"	NA
"706031"	706031	"5-benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine"	"Cc1[nH]c2N=CN(Nc3ccccc3)C(=N)c2c1Cc4ccccc4"	0	""	""	2	2	"135426658"	NA
"706038"	706038	"1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea"	"Cc1cccc2sc(NC(=O)NS(=O)(=O)n3cnc4ccccc34)nc12"	0	""	""	1	1	"397676"	NA
"706040"	706040	"1-(4-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea"	"CC1=CC(=O)N=C(N1)S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2"	0	""	""	1	1	"135426662"	NA
"706043"	706043	"1,3,3-Trimethyl-2-methylene-5-(1,3,3-trimethyl-2-methylene-indolin-5-yl)sulfonyl-indoline"	"CN1C(=C)C(C)(C)c2cc(ccc12)S(=O)(=O)c3ccc4N(C)C(=C)C(C)(C)c4c3"	0	""	""	1	1	"397681"	NA
"706044"	706044	"4-(1H-benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride"	"C(c1ccccc1)c2ccc(cc2)c3[nH]c4ccccc4c3\C=N\Nc5ccc(cc5)c6nc7ccccc7[nH]6"	0	""	""	2	2	"135505227"	NA
"706089"	706089	""	"COC(=O)[C@@H]1O[C@]12[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C)C(=O)NC3=O"	0	NA	NA	1	1	"529011"	NA
"706090"	706090	""	"CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(O[C@H]3C(=O)NO)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	2	1	"529012"	NA
"706091"	706091	""	"CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(O[C@H]3C(=O)NN)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	2	1	"529013"	NA
"706122"	706122	"11-Ethylpaullone"	"CCc1cccc2c3CC(=O)Nc4ccccc4c3[nH]c12"	0	""	""	1	1	"397719"	NA
"706131"	706131	"Ethyl(1r,2r,4r)-4-hydroxy-4-methyl-8-oxo-2-phenyl-bicyclo[3.2.1]octane-1-carboxylate"	"CCOC(=O)[C@@]12CCC(C1=O)[C@](C)(O)C[C@@H]2c3ccccc3"	0	""	""	1	1	"397723"	NA
"706132"	706132	"Methyl 8-acetyl-1-hydroxy-bicyclo[3.2.2]non-6-ene-7-carboxylate"	"COC(=O)C1=CC2CCCC1(O)C(C2)C(=O)C"	0	""	""	2	1	"397724"	NA
"706133"	706133	"2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester"	"COC(=O)C1=C(O)CCCC(=C1)CCC(=O)C"	0	""	""	1	1	"54685703"	NA
"706151"	706151	"N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cc(ccc1\C(=N/NC(=O)c2ccc(C)cc2)\N=Nc3ccccc3C)N(CCC#N)CCC#N"	0	""	""	1	1	"135505231"	NA
"706152"	706152	"N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cc(ccc1\C(=N/NC(=O)c2ccc(C)cc2)\N=Nc3cccc(C)c3)N(CCC#N)CCC#N"	0	""	""	1	1	"135505232"	NA
"706154"	706154	"N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccc(cc1)N=N\C(=N\NC(=O)c2ccc(C)cc2)\c3ccc(cc3OC)N(CCC#N)CCC#N"	0	""	""	1	1	"135505234"	NA
"706155"	706155	"N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cccc(c1)N=N\C(=N\NC(=O)c2ccc(C)cc2)\c3ccc(cc3OC)N(CCC#N)CCC#N"	0	""	""	1	1	"135505235"	NA
"706157"	706157	"1-Benzyl-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-2-one"	"FC(F)(F)c1cc(nc2OC(=O)N(Cc3ccccc3)c12)c4ccccc4"	0	""	""	2	2	"397734"	NA
"706158"	706158	"6-Chloro-5-phenyl-7-(trifluoromethyl)-1h-oxazolo[4,5-e]pyridin-2-one"	"FC(F)(F)c1c(Cl)c(nc2OC(=O)Nc12)c3ccccc3"	0	""	""	1	1	"397735"	NA
"706162"	706162	"3-(2-Hydroxypropyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea"	"CC(O)CNC(=O)NC1=C(C=C(NC1=O)c2ccccc2)C(F)(F)F"	0	""	""	1	1	"397739"	NA
"706168"	706168	"dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate"	"COC(=O)C1=C2SCc3ccc(CSC4=C(S\C(=C(\S2)/S1)\S4)C(=O)OC)cc3"	0	""	""	1	1	"5470903"	NA
"706172"	706172	"(1S)-1-[[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccccc3)n2C[C@@H]4CCCN5CCCCC45"	0	""	""	2	2	"397749"	NA
"706173"	706173	"(1S)-1-[[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	"COc1ccc(Cc2nc3cc(ccc3n2C[C@@H]4CCCN5CCCCC45)C(F)(F)F)cc1"	0	""	""	2	2	"397750"	NA
"706174"	706174	"(1S)-1-[(2-benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	"[O-][N+](=O)c1ccc2c(c1)nc(Cc3ccccc3)n2C[C@@H]4CCCN5CCCCC45"	0	""	""	1	1	"397751"	NA
"706177"	706177	"3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cc2ccccc2)nc3cc(ccc13)C(F)(F)F"	0	""	""	1	1	"397755"	NA
"706178"	706178	"3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"COc1ccc(Cc2nc3cc(ccc3n2CCCN(C)C)C(F)(F)F)cc1"	0	""	""	1	1	"397756"	NA
"706179"	706179	"3-[2-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cc2ccc(Cl)cc2)nc3cc(ccc13)C(F)(F)F"	0	""	""	2	2	"397757"	NA
"706180"	706180	"2-[2-(benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine"	"CN(C)CCn1c(Cn2nc3ccccc3n2)nc4cc(ccc14)C(F)(F)F"	0	""	""	1	1	"397758"	NA
"706182"	706182	"3-[2-(benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cn2nc3ccccc3n2)nc4cc(ccc14)C(F)(F)F"	0	""	""	1	1	"397760"	NA
"706184"	706184	"1-Oxo-3a,7a-dihydrobenzo[d]dithiole-3-thione"	"O=S1SC(=S)C2C=CC=CC12"	0	""	""	1	1	"397762"	NA
"706186"	706186	"3a,7a-Dihydrodithiolo[5,4-b]pyridine-3-thione"	"S=C1SSC2N=CC=CC12"	0	""	""	1	1	"397764"	NA
"706188"	706188	"LFCXOXKKNZBHGK-UHFFFAOYSA-N"	"O=C1Sc2cc3ccccc3cc2C(=O)Sc4cc5ccccc5cc14"	0	""	""	2	2	"397765"	NA
"706189"	706189	"2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione"	"Brc1ccc2SC(=O)c3ccccc3SC(=O)c2c1"	0	""	""	2	2	"397766"	NA
"706190"	706190	"6h,14h-benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione, ..."	"Brc1ccc2SC(=O)c3cc4ccccc4cc3SC(=O)c2c1"	0	""	""	2	1	"397767"	NA
"706192"	706192	"1,1-Bis(methylsulfanyl)-2,2-diphenyl-8h-azeto[4,1-b]quinazoline"	"CSC1(SC)N2Cc3ccccc3N=C2C1(c4ccccc4)c5ccccc5"	0	""	""	2	2	"397769"	NA
"706193"	706193	"1-(4-Nitrophenyl)-2,2-diphenyl-1h-azeto[4,1-b]quinazolin-8-one"	"[O-][N+](=O)c1ccc(cc1)C2N3C(=O)c4ccccc4N=C3C2(c5ccccc5)c6ccccc6"	0	""	""	1	1	"397770"	NA
"706203"	706203	"(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione"	"COc1ccc(\C=C\2/CN(C)CC3C(NC(=S)N=C23)c4ccc(OC)cc4)cc1"	0	""	""	2	2	"5470907"	NA
"706209"	706209	""	"CN1C\C(=C/c2cccs2)\C(=O)\C(=C\c3cccs3)\C1"	0	NA	NA	1	1	"529106"	NA
"706211"	706211	"(7E)-5-Methyl-2-phenyl-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CN1CC2C(N(N=C2\C(=C\c3cccs3)\C1)c4ccccc4)c5cccs5"	0	""	""	2	2	"5470914"	NA
"706212"	706212	"(8E)-6-Methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione"	"CN1CC2C(NC(=S)N=C2\C(=C\c3cccs3)\C1)c4cccs4"	0	""	""	1	1	"5470915"	NA
"706213"	706213	"(8E)-2-Amino-6-methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile"	"CN1C\C(=C/c2cccs2)\C3=C(C1)C(C(=C(N)O3)C#N)c4cccs4"	0	""	""	2	2	"5470916"	NA
"706217"	706217	"(7E)-2,5-dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CN1CC2C(N(C)N=C2\C(=C\c3cccs3)\C1)c4cccs4"	0	""	""	1	1	"5470920"	NA
"706232"	706232	"7-Chloro-10,11-dimethoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4-dione"	"COc1cc2NC(=O)C(=O)c3cc(Cl)nc(c1OC)c23"	0	""	""	2	2	"397794"	NA
"706234"	706234	"7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one"	"COc1cc2NC(=O)C(O)(CC(=O)c3ccccc3)c4cc(Cl)nc(c1OC)c24"	0	""	""	2	1	"397796"	NA
"706236"	706236	"9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one"	"COc1cc2NC(=O)c3cc(cc4c(Cl)nc(c1OC)c2c34)c5ccccc5"	0	""	""	2	2	"5470922"	NA
"706237"	706237	"Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate"	"CCOC(=O)COC1=Nc2cc(OC)c(OC)c3nc(Cl)cc(C1=O)c23"	0	""	""	2	2	"397799"	NA
"706363"	706363	"Arsenic trioxide"	NA	0	"Apo"	"FDA approved"	3	2	"-1"	NA
"706415"	706415	"4-(Benzhydrylideneamino)-5-methyl-2h-1,2,4-triazol-3-one"	"CC1=NNC(=O)N1N=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	"397825"	NA
"706416"	706416	"5-Benzyl-4-(cyclohexylideneamino)-2h-1,2,4-triazol-3-one"	"O=C1NN=C(Cc2ccccc2)N1N=C3CCCCC3"	0	""	""	1	1	"397826"	NA
"706420"	706420	"3-[(4-chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2\N=C\c3ccc(\C=N\N4C(=O)NN=C4Cc5ccc(Cl)cc5)cc3)cc1"	0	""	""	1	1	"54611479"	NA
"706444"	706444	"1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine"	"NN\C(=N/S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)\Nc3ccc(Cl)cc3"	0	""	""	1	1	"9572176"	NA
"706446"	706446	"1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine"	"NN\C(=N/S(=O)(=O)c1ccc(s1)c2ccccn2)\Nc3ccc(Cl)cc3"	0	""	""	1	1	"9572178"	NA
"706449"	706449	"1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine"	"NN\C(=N/S(=O)(=O)c1oc2ccccc2c1)\Nc3ccc(Cl)cc3"	0	""	""	1	1	"9572181"	NA
"706450"	706450	"1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine"	"Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N\C(=N\c3ccc(Cl)cc3)\NN"	0	""	""	1	1	"9572182"	NA
"706461"	706461	"7-methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(s3)c4ccccc4"	0	""	""	2	2	"5470947"	NA
"706462"	706462	"7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3csc4ccccc34"	0	""	""	2	2	"5470948"	NA
"706463"	706463	"7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3sc4ccccc4c3C"	0	""	""	1	1	"5470949"	NA
"706464"	706464	"1,8-naphthyridin-4(1h)-one, 2-(benzo[b]thiophen-2-yl)-7-..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3cc4ccccc4s3"	0	""	""	2	2	"5470950"	NA
"706470"	706470	"methanone, 4-methyl-1-piperazinyl-1-[[1-[(1,3-benzodioxo..."	"CN1CCN(CC1)C(=O)c2cn(Cc3cncn3Cc4ccc5OCOc5c4)cc2c6cccc7ccccc67"	0	""	""	3	2	"397854"	NA
"706476"	706476	"Remangilone C"	"CC1=C(O)C(=O)C[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@@]34C"	0	""	""	1	1	"397856"	NA
"706480"	706480	"(5R,5aR,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)c6c(O)cc(O)c7C[C@H](O)[C@H](Oc67)c8ccc(O)c(O)c8"	0	""	""	1	1	"397857"	NA
"706482"	706482	"[(2R,3R)-8-[(5R,5aR,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)c6c(O)cc(O)c7C[C@@H](OC(=O)c8cc(O)c(O)c(O)c8)[C@H](Oc67)c9ccc(O)c(O)c9"	0	""	""	2	2	"397859"	NA
"706484"	706484	"[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)F)[C@@H]1CC[C@]23C[C@]12CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	1	1	"397861"	NA
"706485"	706485	"16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde"	"COc1ccc2C(=C3N(CCc4cc5OCOc5cc34)C(=O)c2c1OC)C=O"	0	""	""	1	1	"397862"	NA
"706486"	706486	"2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile"	"COc1cc2CCN3C(C#N)c4c(OC)c(OC)ccc4C=C3c2cc1OC"	0	""	""	1	1	"397863"	NA
"706491"	706491	"2,2,2-Trifluoro-1-[2-isopropyl-2-methyl-4-(trifluoromethyl)-3h-benzo[h]quinazolin-6-yl]ethanone"	"CC(C)C1(C)Nc2c(cc(C(=O)C(F)(F)F)c3ccccc23)C(=N1)C(F)(F)F"	0	""	""	2	1	"135426671"	NA
"706492"	706492	"STK242450"	"Cc1nc2ccccc2n1Cc3nnc4SCC(=Nn34)c5ccccc5"	0	""	""	1	1	"397868"	NA
"706493"	706493	"(2r,3s)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxy-propan-1-one"	"O[C@H]([C@@H](O)c1cccc(Cl)c1)C(=O)C23CC4CC(CC(C4)C2)C3"	0	""	""	2	2	"397869"	NA
"706496"	706496	"2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol"	"Oc1ccccc1C2=NOC(C2)c3ccc(cc3)C(F)(F)F"	0	""	""	2	2	"397872"	NA
"706705"	706705	"Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-"	"Cc1cc(ccc1N)c2nc3c(F)cccc3s2"	0	""	""	1	1	"397873"	NA
"706729"	706729	"3,4-seco-d:b-friedobacchara-4,21-dien-3.beta.-ol"	"CC(=CCC[C@]1(C)CC[C@]2(C)C3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]2(C)C1)C"	0	""	""	1	1	"397877"	NA
"706730"	706730	"3,4-seco-d:b-friedobacchara-4,21-dien-3.beta.-ol acetate"	"CC(=CCC[C@]1(C)CC[C@]2(C)C3CCC(=C(C)C)[C@@H](CCCOC(=O)C)[C@]3(C)CC[C@@]2(C)C1)C"	0	""	""	1	1	"397878"	NA
"706736"	706736	"9-Tert-butyl-16-methyl-4-(4-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"Cc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	"397880"	NA
"706737"	706737	"9-Tert-butyl-16-methyl-4-(4-phenoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"Cc1ccc2[nH]c3C4C(C5CC(CCC5c3c2c1)C(C)(C)C)C(=O)N(C4=O)c6ccc(Oc7ccccc7)cc6"	0	""	""	2	2	"397881"	NA
"706739"	706739	"benzo[c]pyrrolo[3,4-a]carbazole-1,3(2h,3ah)-dione, 2-(di..."	"CCC1CCC2C(C1)C3C(C(=O)N(N(C)C)C3=O)c4[nH]c5ccc(C)cc5c24"	0	""	""	2	2	"397883"	NA
"706741"	706741	"tert-butyl(p-tolyl)[?]dione"	"Cc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C"	0	""	""	2	1	"397885"	NA
"706743"	706743	"5h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6h)-..."	"COc1cc2C(=O)N(CCCNCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"397888"	"308246528"
"706744"	706744	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(CCCNCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	"TOP1"	""	2	2	"397887"	"308246573"
"706806"	706806	"8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne"	"CC(C)(C)c1ccc2OCCCOc3cc4C#Cc5cc(ccc5OCCCOc4cc3C#Cc2c1)C(C)(C)C"	0	""	""	1	1	"397891"	NA
"706809"	706809	"5-Methoxy-14,15,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,15-heptaene-12-carboxamide"	"COc1ccc2c(CCc3cc(C(=O)N)c4nnnn4c23)c1"	0	""	""	2	2	"397894"	NA
"706829"	706829	"1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC6C3CC7CC4C(C5)C6(C7)c8ccc(Oc9ccc(N)cc9)cc8)cc1"	0	""	""	2	2	"397904"	NA
"706831"	706831	"1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC6C3CC7CC4C(C5)C6(C7)c8ccc(Oc9ccc(N)c(O)c9)cc8)cc1O"	0	""	""	2	2	"397906"	NA
"706833"	706833	"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC(CC(C5)(C3)c6ccc(Oc7ccc(N)cc7)cc6)C4)cc1"	0	""	""	2	1	"397908"	NA
"706835"	706835	"1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC(CC(C5)(C3)c6ccc(Oc7ccc(N)c(O)c7)cc6)C4)cc1O"	0	""	""	2	1	"397910"	NA
"706838"	706838	"[4,7-dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate"	"COc1cc(c(OC)c2nc(COC(=O)C)n(C)c12)c3nc4ccc(nc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	"6712700"	NA
"706965"	706965	".beta.-d-glucopyranosylamine, n,n'-(iminodi-2,1-ethanedi..."	"OCC1OC(NCCNCCNC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O"	0	NA	NA	1	1	"529237"	"290815757"
"706978"	706978	"4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine"	"COc1ccc(cc1)c2c(CN3CCOCC3)sc4nc5ccccc5n24"	0	""	""	2	2	"397922"	NA
"706979"	706979	"N-ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine"	"CCN(CC)Cc1sc2nc3ccccc3n2c1c4ccc(OC)cc4"	0	""	""	1	1	"397923"	NA
"706981"	706981	"3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]quinazolin-4-one"	"Clc1ccc(cc1)N2C(=Nc3ccccc3C2=O)Cc4nc(cs4)c5ccc(Cl)cc5"	0	""	""	1	1	"397925"	NA
"706982"	706982	"6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one"	"COc1ccc(cc1)N2C(=Nc3c(Br)cc(Br)cc3C2=O)Cc4nc(cs4)c5ccc(OC)cc5"	0	""	""	1	1	"397926"	NA
"706983"	706983	"6,8-Dibromo-3-[4-(4-methoxyphenyl)thiazol-2-yl]-2-phenyl-quinazolin-4-one"	"COc1ccc(cc1)c2csc(n2)N3C(=O)c4cc(Br)cc(Br)c4N=C3c5ccccc5"	0	""	""	1	1	"397927"	NA
"706989"	706989	"tortuosine"	"COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4c(c1)c23"	0	""	""	2	2	"397928"	NA
"706992"	706992	"4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one"	"NC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	"10944751"	NA
"706993"	706993	"2-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\CCOC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	"397929"	NA
"706994"	706994	"2-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\CCOC(=O)c5cccc6cc7ccccc7nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	"397930"	NA
"706995"	706995	"Entinostat"	"Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2"	0	"HDAC"	"Clinical trial"	2	2	"4261"	"209783802"
"706999"	706999	"Cystothiazole A"	"CO[C@@H](\C=C\c1csc(n1)c2csc(n2)C(C)C)[C@@H](C)\C(=C/C(=O)OC)\OC"	0	""	""	2	2	"5470965"	NA
"707000"	707000	"arnidiol"	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CCC1=C"	0	""	""	2	1	"397932"	NA
"707006"	707006	"5-Acetyl-6-(2-diethylaminoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CCN(CC)CCSC1=C(C(=O)C)C(=O)N(C(=S)N1c2ccccc2)c3ccccc3"	0	""	""	2	2	"397937"	NA
"707019"	707019	"N-(5-aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCCON)OCCCN"	0	""	""	2	1	"397938"	NA
"707020"	707020	"N-(3-aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)c2c(C)cc(C)cc2C"	0	""	""	2	1	"397940"	NA
"707021"	707021	"2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCN(OCCCCCO2)S(=O)(=O)c3c(C)cc(C)cc3C"	0	""	""	1	1	"397942"	NA
"707029"	707029	"14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate"	"Clc1ccc2C=C3C(Cc2c1)C[N+]4=C3CCCCC4"	0	""	""	1	1	"397955"	NA
"707031"	707031	"2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1ccccc1)\Nc2ccc(Cl)cc2"	0	""	""	2	2	"9572188"	NA
"707037"	707037	"1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine"	"ON\C(=N/S(=O)(=O)c1ccc(s1)c2ccccn2)\Nc3ccc(Cl)cc3"	0	""	""	1	1	"9572194"	NA
"707038"	707038	"2-thiophenesulfonamide, n-[(4-chlorophenylamino)(hydroxy..."	"ON\C(=N/S(=O)(=O)C1CC=C(S1)c2ccon2)\Nc3ccc(Cl)cc3"	0	""	""	2	2	"9572195"	NA
"707042"	707042	"2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)\Nc3ccc(Cl)cc3"	0	""	""	2	1	"9572199"	NA
"707043"	707043	"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2)[N+](=O)[O-])c(Cl)c1)\Nc3ccc(Cl)cc3"	0	""	""	2	1	"9572200"	NA
"707048"	707048	"methyl (2Z)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)acetate"	"COC(=O)\C=C\1/C(=O)Nc2ccc(Br)cc12"	0	""	""	2	1	"5470983"	NA
"707049"	707049	"ethyl (2Z,5Z)-2-carbamoyl-6-(4-chlorophenyl)-3,6-dihydroxy-4-oxohexa-2,5-dienoate"	"CCOC(=O)\C(=C(/O)\C(=C\C(=O)c1ccc(Cl)cc1)\O)\C(=O)N"	0	""	""	1	1	"54685705"	NA
"707050"	707050	"LS-91134"	"CN(C)c1ccc(cc1)C(=NN)c2ccc(cc2)N(C)C"	0	""	""	2	2	"397978"	NA
"707054"	707054	"(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)sulfamic acid"	"OS(=O)(=O)\N=C\1/C(=O)Nc2ccc(Br)cc12"	0	""	""	1	1	"135505239"	NA
"707055"	707055	"CBMicro_021216"	"Sc1nnc(NNc2ccccc2)n1Nc3ccccc3"	0	""	""	2	2	"812842"	NA
"707058"	707058	"Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate"	"COC(=O)\C=C\1/C(=O)N(C(=O)C)c2ccc(Br)cc12"	0	""	""	2	1	"5408868"	NA
"707059"	707059	"(Z)-N-[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide"	"O\C(=C/C(=O)c1ccc(Cl)cc1)\C(=O)N\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	1	1	"135426685"	NA
"707060"	707060	"STK761344"	"Cc1ccc(C(=O)\C=C(/O)\C(=C\C(=O)c2ccc(C)cc2C)\O)c(C)c1"	0	""	""	2	1	"5290828"	NA
"707063"	707063	"(2Z,5Z)-3-(2-benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione"	"O\C(=C/C(=O)c1ccccc1)\C(=C\C(=O)c2ccccc2)\NN=C(c3ccccc3)c4ccccc4"	0	""	""	1	1	"5470988"	NA
"707067"	707067	"2-[(Z)-1,4-dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide"	"NC(=O)C(=C(O)\C(=C\C(=O)c1ccccc1)\O)C(=O)N"	0	""	""	1	1	"54685707"	NA
"707068"	707068	"ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate"	"CCOC(=O)\C(=C(/O)\C(=C(/Br)\C(=O)c1ccccc1)\O)\C(=O)N"	0	""	""	2	2	"54685708"	NA
"707075"	707075	"ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate"	"CCOC(=O)C(C(=O)N)C1=Nc2cc(ccc2N/C/1=C\C(=O)c3ccc(C)cc3)[N+](=O)[O-]"	0	""	""	2	1	"135426689"	NA
"707079"	707079	"2-anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide"	"CC(C)(C)C1(O)C=C(O)C(=O)N1NC(=O)c2ccccc2Nc3ccccc3"	0	""	""	1	1	"398007"	NA
"707081"	707081	"STL446444"	"Cc1ccc(c(C)c1)c2cc([nH]n2)c3cc([nH]n3)c4ccc(C)cc4C"	0	""	""	2	1	"398009"	NA
"707085"	707085	"(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one"	"COc1ccc(cc1)C2N(c3ccc(OC)cc3)C(O)(CC(=O)c4ccccc4)C(=C2C(=O)c5ccccc5)O"	0	""	""	2	2	"5471002"	NA
"707086"	707086	"2-(3-Oxo-3,4-dihydro-2h-1,4-benzothiazin-2-ylidene)-1,3-diphenylpropane-1,3-dione"	"O=C(C(=C1Sc2ccccc2NC1=O)C(=O)c3ccccc3)c4ccccc4"	0	""	""	2	1	"398013"	NA
"707088"	707088	"3-[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one"	"O=C(C(=C1Nc2ccccc2SC1=O)C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"135505241"	NA
"707090"	707090	"dat1"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccccc3)cc1"	0	""	""	2	2	"398017"	NA
"707091"	707091	"2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-"	"O=C1CCC(=O)N1CNc2ccc3Oc4ccccc4Sc3c2"	0	""	""	1	1	"398018"	NA
"707094"	707094	"4-(4-Chlorophenyl)-3-(1-phenylpent-4-enoxy)thiazole-2-thione"	"Clc1ccc(cc1)C2=CSC(=S)N2OC(CCC=C)c3ccccc3"	0	""	""	1	1	"398021"	NA
"707106"	707106	"2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	"CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)c3c[nH]c4ccc(Br)cc34"	0	""	""	1	1	"398033"	NA
"707140"	707140	"Cadambine"	"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C4CN5CCc6c([nH]c7ccccc67)C5(CC13)O4"	0	""	""	1	1	"398038"	NA
"707148"	707148	"odoroside h"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)C(CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	""	""	2	1	"24202596"	"18810258"
"707149"	707149	"neritaloside"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	"582466"	"465134"
"707150"	707150	"(8-8a),(8'-8'a)-tetradehydroisocalycanthine 3'a(r),3'a(r)"	"CN1CC[C@]23C1=Nc4ccccc4[C@]25CCN(C)C5=Nc6ccccc36"	0	""	""	1	1	"398040"	NA
"707181"	707181	"16-(4-dimethylaminobenzylidene)-17-oxo-5-androsten-3.bet..."	"CN(C)c1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1"	0	""	""	1	1	"5471008"	NA
"707211"	707211	"(1s,2s,3s)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol"	"COP(=O)(OC)[C@](O)([C@@H](O)[C@@H](O)c1ccccc1)c2ccccc2"	0	""	""	1	1	"398049"	NA
"707231"	707231	"4-[(1S,3S,3aR,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid"	"OC(=O)CCC[C@]1(O)O[C@@]2(CCCC2=O)[C@]3(O)CCC[C@]13O"	0	""	""	1	1	"398054"	NA
"707389"	707389	"Eribulin mesilate"	"CO[C@H]1[C@@H](C[C@H](O)CN)O[C@H]2C[C@H]3OC(CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C"	0	"TUBB"	"FDA approved"	6	3	"54611489"	"441045176"
"707400"	707400	"2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine"	"N\C(=N/c1ccc(Cl)cc1)\NS(=O)(=O)c2c(cccc2C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"9572209"	NA
"707404"	707404	"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine"	"N\C(=N/c1ccc(Cl)cc1)\NS(=O)(=O)c2cccc3nsnc23"	0	""	""	1	1	"9572213"	NA
"707419"	707419	"3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene"	"C1Cn2ccnc2c3nc4ccccc4n3C1"	0	""	""	1	1	"398072"	NA
"707438"	707438	"1h-indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-..."	"COC(C)(C)\C=C\c1[nH]c2ccccc2c1CC(=O)NCCc3cn(cn3)C(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	2	2	"5471025"	NA
"707439"	707439	"2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(1-tritylimidazol-4-yl)ethyl]acetamide"	"CC(=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc3cn(cn3)C(c4ccccc4)(c5ccccc5)c6ccccc6)C"	0	""	""	2	2	"398074"	NA
"707444"	707444	"ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate"	"CCOC(=O)n1cncc1CC(NC(=O)Cc2c([nH]c3ccccc23)C(=O)C=C(C)C)C(=O)OC"	0	""	""	1	1	"398079"	NA
"707447"	707447	"(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate"	"CC(=O)Oc1ccc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)C(=O)C)c1"	0	""	""	1	1	"398082"	NA
"707448"	707448	"2-[3,6-bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide"	"COc1ccc(CCNC(=O)c2ccccc2C3c4ccc(OCc5ccccc5)cc4Oc6cc(OCc7ccccc7)ccc36)cc1OC"	0	""	""	1	1	"398083"	NA
"707454"	707454	"N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;hydrobromide"	"NCCCNCCCNCCCN"	0	""	""	1	1	"398090"	NA
"707456"	707456	"(E)-but-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide"	"O=CNCCCN1CCN(CCCNC=O)CC1"	0	""	""	1	1	"54611530"	NA
"707457"	707457	"tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate"	"CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	"398092"	NA
"707459"	707459	"[2-(Bromomethyl)-3-hydroxy-2-methyl-propyl] 4-amino-3,5-dibromo-benzoate"	"CC(CO)(CBr)COC(=O)c1cc(Br)c(N)c(Br)c1"	0	""	""	1	1	"398094"	NA
"707461"	707461	"2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=S)Cc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"54611531"	NA
"707463"	707463	"2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide"	"CN([C@H]1CCCC[C@@H]1[N+]2(C)CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"398097"	NA
"707465"	707465	"2-butenoic acid, 4-[[4,5-dichloro-2-[[[[2-(1-pyrrolidiny..."	"COC(=O)\C=C\C(=O)Nc1cc(Cl)c(Cl)cc1CC(=O)N(C)[C@H]2CCCC[C@@H]2N3CCCC3"	0	""	""	2	1	"54611534"	NA
"707467"	707467	"(E)-but-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate"	"CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)OC(C)(C)C"	0	""	""	1	1	"5471028"	NA
"707471"	707471	"(2S)-2-amino-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide"	"CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@@H](N)c3ccccc3"	0	""	""	1	1	"398107"	NA
"707474"	707474	"2-hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide"	"CC(C)N(C(C)C)C(=O)C1(O)c2ccccc2C=Cc3ccccc13"	0	""	""	1	1	"398109"	NA
"707482"	707482	"SNC-67"	"CCN(CC)C(=O)c1ccc(cc1)[C@H](N2C[C@H](C)N(CC=C)C[C@H]2C)c3cccc(OC)c3"	0	""	""	1	1	"398116"	NA
"707483"	707483	"Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate"	"COC(=O)[C@H](C)NC(=O)[C@@H](C)N(CC=C)C(=O)OC(C)(C)C"	0	""	""	1	1	"5471032"	NA
"707484"	707484	"Snc 80"	"CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3cccc(OC)c3"	0	""	""	1	1	"123924"	NA
"707492"	707492	"(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid"	"COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O"	0	""	""	1	1	"6712734"	NA
"707545"	707545	"Alvespimycin"	"CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	7	3	"-1"	"467214217"
"707546"	707546	"N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine"	"CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CC)N1C"	0	""	""	1	1	"398123"	NA
"707547"	707547	"(3aR,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole"	"CC1(C)O[C@@H]2C=C[C@H]3OC(=N[C@H]3[C@@H]2O1)c4ccccc4"	0	""	""	1	1	"398124"	NA
"707553"	707553	"methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate"	"COC(=O)Nc1cc(OCCCOC(=O)C)c2[nH]c(cc2c1C[C@H](O)CO)C(=O)OC"	0	""	""	1	1	"398126"	NA
"707557"	707557	"3-[[5-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol"	"OCC(O)COCn1nncc1Cn2ncc3c(SCc4ccccc4)ncnc23"	0	""	""	1	1	"398130"	NA
"707559"	707559	"3-[[4-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol"	"CNc1ncnc2c1cnn2Cc3cn(COCC(O)CO)nn3"	0	""	""	1	1	"398132"	NA
"707563"	707563	"(2E,4E)-5-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2ccc3CCCCc3c2"	0	""	""	1	1	"54611498"	NA
"707616"	707616	"2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine"	"Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1"	0	""	""	4	2	"398148"	NA
"707617"	707617	"2-amino-6-cyclohexylmethoxy-n(sup 9)-methylpurine"	"Cn1cnc2c(OCC3CCCCC3)nc(N)nc12"	0	""	""	1	1	"398149"	NA
"707687"	707687	"DRQSTMDEXDIYTG-UHFFFAOYSA-N"	"CSc1ccccc1P(c2ccccc2SC)c3ccccc3SC"	0	""	""	1	1	"398155"	NA
"707688"	707688	"12-Phenyl-9-prop-2-enyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one"	"C=CCN1C(=O)C=C(c2ccccc2)n3ncc4cccc1c34"	0	""	""	1	1	"398156"	NA
"707690"	707690	"11-Butyl-4-methylfuro[3,4-b]oxanthren-1(3h)-one"	"CCCCc1c2Oc3ccccc3Oc2c(C)c4COC(=O)c14"	0	""	""	2	2	"398158"	NA
"707691"	707691	"Benzamido 2-methyl-5-phenyl-4-(p-tolyl)-1h-pyrrole-3-carboxylate"	"Cc1ccc(cc1)c2c(C(=O)ONC(=O)c3ccccc3)c(C)[nH]c2c4ccccc4"	0	""	""	2	2	"398159"	NA
"707692"	707692	"benzamide, n-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl- 1..."	"COc1cccc(c1)c2c(C(=O)ONC(=O)c3ccccc3)c(C)[nH]c2c4ccccc4"	0	""	""	2	1	"398160"	NA
"707693"	707693	"benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate"	"Cc1[nH]c(c2ccccc2)c(c3ccc(Cl)cc3)c1C(=O)ONC(=O)c4ccccc4"	0	""	""	2	1	"398161"	NA
"707694"	707694	"ChemDiv1_005833"	"Nc1nc(SCc2ccccc2)c(C#N)c(c3ccc(O)cc3)c1C#N"	0	""	""	2	1	"398162"	NA
"707696"	707696	"6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide"	"CC1=C(C(C(=C(N1)SCc2ccccc2)C#N)c3oc(C)cc3)C(=O)Nc4ccccc4"	0	""	""	2	2	"398164"	NA
"707697"	707697	"STK834713"	"CCSC1=C(C#N)C2(CCCCC2)C3=C(CC(C)(C)CC3=O)N1"	0	""	""	1	1	"398165"	NA
"707700"	707700	"4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile"	"CCCCCCCCCSC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(OCCCC)cc3"	0	""	""	2	2	"398168"	NA
"707701"	707701	"Cambridge id 5721799"	"COc1ccc(cc1)c2cc(nc(SCC(=O)O)c2C#N)C3CC3"	0	""	""	1	1	"398169"	NA
"707772"	707772	"pyrazolo[1,5-a]indolinium, 4-[[4-(dimethylamino)phenyl]m..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(C)[n+]4C)cc1"	0	""	""	2	2	"5471038"	NA
"707773"	707773	"N,N-dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(\C=C\c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	"5471040"	NA
"707774"	707774	"Methyl(2r,3as)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate"	"COC(=O)[C@@]1(Cc2ccc(O)cc2)C[C@@H]3Cc4ccccc4N3N1"	0	""	""	1	1	"398179"	NA
"707801"	707801	"7-fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride"	"COc1ccc2CC3NCCC45C(Oc1c24)C(F)C=CC35O"	0	""	""	1	1	"398198"	NA
"707817"	707817	"2-(2-amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=O)Cc3cc(Cl)c(Cl)cc3N"	0	""	""	1	1	"54611452"	NA
"707819"	707819	"3-(3,4-dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"54611453"	NA
"707820"	707820	"benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride"	"CN(C1CCCCC1N2CCCC2)C(=O)[C@H](NC(=O)OCc3ccccc3)c4ccccc4"	0	""	""	1	1	"54611454"	NA
"707825"	707825	"2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	"CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3cc(Cl)c(Cl)cc3N=C=S"	0	""	""	2	1	"54611471"	NA
"707832"	707832	"(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c4ccc(F)cc4)CC2)cc1"	0	""	""	1	1	"5471054"	NA
"707834"	707834	"STK803595"	"COc1cc(C=O)ccc1Oc2nnnn2c3ccccc3"	0	""	""	1	1	"398233"	NA
"707839"	707839	"2-Bromo-1-(2,3-dimethoxyphenyl)-4-azabicyclo[3.3.1]nonane hydrobromide"	"COc1cccc(c1OC)C23CCCC(C2)NCC3Br"	0	""	""	1	1	"398239"	NA
"707841"	707841	"methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate"	"CCOc1ccc(Cc2nc3cc(NC\C=C/C(=O)OC)ccc3n2CCN(CC)CC)cc1"	0	""	""	1	1	"5471055"	NA
"707848"	707848	"CFQVRXZCCTVTIK-UHFFFAOYSA-N"	"COc1ccc2CC3N(C)CCC45C(Oc1c24)C(OC)(OC)C(I)C=C35"	0	""	""	1	1	"398249"	NA
"707904"	707904	"7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccccc4"	0	""	""	2	2	"23661578"	NA
"707907"	707907	"6,7-bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccc(OC)cc4"	0	""	""	2	2	"24202597"	NA
"707909"	707909	"6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccc(OC)c(OC)c4"	0	""	""	2	2	"24202598"	NA
"707977"	707977	"Ethyl 4-(2-amino-3-cyano-4-phenyl-pyrrol-1-yl)-3-(4-chlorophenyl)-2-thioxo-thiazole-5-carboxylate"	"CCOC(=O)C1=C(N(C(=S)S1)c2ccc(Cl)cc2)n3cc(c4ccccc4)c(C#N)c3N"	0	""	""	1	1	"398263"	NA
"707982"	707982	"[4-[[2-(1h-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone"	"O=C(N1CCC(CC2(OCCO2)c3cc4ccccc4[nH]3)CC1)c5ccccc5"	0	""	""	1	1	"398268"	NA
"707983"	707983	"[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone"	"CCOn1c(cc2ccccc12)C3(CC4CCN(CC4)C(=O)c5ccccc5)OCCO3"	0	""	""	1	1	"398269"	NA
"707985"	707985	"methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate"	"CCC12C=CCN3CCC4(C13)C(N(C)c5cc(OC)c(cc45)C(C6Cc7ccccc7N6)c8ccc(OC)cc8)C(O)(C2O)C(=O)OC"	0	""	""	1	1	"398271"	NA
"707993"	707993	"(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate"	"CN(C)C(=O)OC1=CC2CCC(C1)N2C"	0	""	""	1	1	"398279"	NA
"708015"	708015	"AQ-776/42801493"	"Oc1cccc(c1)c2cn3cc(Cl)ccc3n2"	0	""	""	1	1	"398301"	NA
"708027"	708027	"3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol"	"Oc1cccc(c1)c2cn3cc(ccc3n2)C(F)(F)F"	0	""	""	1	1	"398313"	NA
"708035"	708035	"phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate"	"O=C(Nc1ccc2nc(cn2c1)c3ccccc3)Oc4ccccc4"	0	""	""	1	1	"398321"	NA
"708044"	708044	"methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccccc1)(C#N)C#N"	0	""	""	2	2	"5471060"	NA
"708045"	708045	"methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccc(C)cc1)(C#N)C#N"	0	""	""	2	2	"5471061"	NA
"708046"	708046	"methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccc(OC)cc1)(C#N)C#N"	0	""	""	2	2	"5471062"	NA
"708047"	708047	"Ethyl 5-cyano-2-(3-thienyl)-1h-pyrrole-3-carboxylate"	"CCOC(=O)c1cc(C#N)[nH]c1c2ccsc2"	0	""	""	1	1	"398328"	NA
"708048"	708048	"2-butenoic acid, 4,4-dicyano-4-[[(3-thienyl)methylene]am..."	"CCOC(=O)\C=C/C(\N=C\c1ccsc1)(C#N)C#N"	0	""	""	2	2	"5471063"	NA
"708049"	708049	"piperazine-2,2,5,5-tetracarbonitrile, 3,6-dipropyl-"	"CCCC1NC(C#N)(C#N)C(CCC)NC1(C#N)C#N"	0	""	""	2	2	"398330"	NA
"708052"	708052	""	"CN1CCc2cc(N)cc3c2C1Cc4ccc(O)c(O)c34"	0	""	""	1	1	"398332"	NA
"708061"	708061	"3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione"	"CC1(C)C=CC(=O)C(O)C(C)(C)C1=O"	0	""	""	1	1	"398341"	NA
"708062"	708062	"6-Ethoxy-2-(hydroxymethyl)-2h-pyran-3(6h)-one"	"CCOC1OC(CO)C(=O)C=C1"	0	""	""	2	2	"398342"	NA
"708066"	708066	"8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol"	"CN1C2CCCc3cc(O)cc(c23)c4c(O)c(O)ccc14"	0	""	""	2	2	"398346"	NA
"708067"	708067	"13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine"	"CN1CCc2cc(N)cc3c2C1Cc4ccc5OCOc5c34"	0	""	""	2	2	"398347"	NA
"708069"	708069	""	"[Cl-][Au+]1(P(c2ccccc2)(c3ccccc3)c4ccccc4)P(CCCP1(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	"529670"	NA
"708070"	708070	"GemMP[10]"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)OC3C(COP(=O)OC4C(COP(=O)OC5C(COP(=O)OC6C(COP(=O)OC7C(COP(=O)OC8C(COP(=O)OC9C(COP(=O)OC%10C(COP(=O)OC%11C(CO)OC(N%12C=CC(=NC%12=O)N)C%11(F)F)OC(N%13C=CC(=NC%13=O)N)C%10(F)F)OC(N%14C=CC(=NC%14=O)N)C9(F)F)OC(N%15C=CC(=NC%15=O)N)C8(F)F)OC(N%16C=CC(=NC%16=O)N)C7(F)F)OC(N%17C=CC(=NC%17=O)N)C6(F)F)OC(N%18C=CC(=NC%18=O)N)C5(F)F)OC(N%19C=CC(=NC%19=O)N)C4(F)F)OC(N%20C=CC(=NC%20=O)N)C3(F)F)C(O)C2(F)F"	0	""	""	4	4	"16129935"	NA
"708072"	708072	"1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea"	"S=C(Nc1cccc(c1)C2(CCCCC2)N3CCCCC3)Nc4cccc(c4)C5(CCCCC5)N6CCCCC6"	0	""	""	1	1	"5471064"	NA
"708073"	708073	"2-amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide"	"CN(Cc1cc(Cl)c(Cl)cc1NC(=O)CN)[C@H]2CCCC[C@@H]2N3CCCC3"	0	""	""	1	1	"398349"	NA
"708074"	708074	"N'-[1-(1-benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid"	"CNCCCNC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	2	1	"54611499"	NA
"708080"	708080	"1-(1-benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid"	"CNC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	"5471068"	NA
"708081"	708081	"1-(1-benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid"	"CN(C)C1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	"5471069"	NA
"708087"	708087	"1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid"	"C1CCCC(CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	"5471072"	NA
"708092"	708092	"AYFQZGKBCJUBOZ-UHFFFAOYSA-N"	"CC(C)(C)OC(=O)NCCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	"398379"	NA
"708094"	708094	"N-[1-(1-benzothiophen-2-yl)cyclohexyl]pentanamide"	"CCCCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	"398381"	NA
"708096"	708096	"1-[1-(Benzothiophen-2-yl)-4-isothiocyanato-cyclohexyl]piperidine"	"S=C=N[C@@H]1CC[C@@](CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	"398383"	NA
"708105"	708105	"4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexan-1-amine"	"N[C@@H]1CC[C@@](CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	"398392"	NA
"708106"	708106	"2-amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid"	"NCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	"5471073"	NA
"708123"	708123	"1-[1-(1-benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid"	"C1CCN(CC1)C2(CCCC2)c3cc4ccccc4s3"	0	""	""	1	1	"5471077"	NA
"708130"	708130	"Methanesulfonic acid; 2-[3-[1-(1-piperidyl)cyclohexyl]phenoxy]ethanamine"	"NCCOc1cccc(c1)C2(CCCCC2)N3CCCCC3"	0	""	""	1	1	"398428"	NA
"708237"	708237	"1-[(4aS,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone"	"CC(=O)C1=C(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc4ccccc4)[C@H](O)[C@@H]2S1"	0	""	""	1	1	"398461"	NA
"708240"	708240	"Cbz-[Lys3]-Didemnin B"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(=O)OCc5ccccc5)NC(=O)[C@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	1	1	"398464"	NA
"708244"	708244	"indolo[3,2-d]benzazepin-6(5h)-one, 9-cyano-2,3-dimethoxy..."	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)c2cc1OC"	0	""	""	2	2	"398465"	NA
"708298"	708298	"Ar-67"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccc(O)cc5c4[Si](C)(C)C(C)(C)C)C2=O"	0	"TOP1"	"Clinical trial"	2	2	"6712744"	"220913326"
"708371"	708371	"7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-"	"CCC1=C(Cc2cccc3ccccc23)N4C(CSC4=NC1=O)OCCO"	0	""	""	1	1	"398467"	NA
"708375"	708375	"(1'R,2'R,8'S,10'S)-10'-phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	"O=C1C[C@H](Sc2ccccc2)C3(OCCO3)[C@H]4ON5CCC[C@@H]5[C@@H]14"	0	""	""	2	2	"398472"	NA
"708376"	708376	"4-(3-Thioxodithiol-4-yl)-5,6-dihydrodithiolo[5,4-b][1,4]thiazine-3-thione"	"S=C1SSC=C1N2CCSC3=C2C(=S)SS3"	0	""	""	1	1	"398473"	NA
"708387"	708387	"12-Bromo-10-thia-1-azoniatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene;bromide"	"BrC1CSc2cccc3ccc[n+](C1)c23"	0	""	""	2	2	"398483"	NA
"708390"	708390	"Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate"	"CC1(COS(=O)(=O)OCC2(C)COS(=O)(=O)OC2)COS(=O)(=O)OC1"	0	""	""	2	1	"398487"	NA
"708393"	708393	"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile"	"Cc1nnc(SCc2nc(C#N)c(nc2CSc3nnc(C)s3)C#N)s1"	0	""	""	2	2	"398490"	NA
"708394"	708394	"5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile"	"N#Cc1nc(Sc2cnsn2)c(Sc3cnsn3)nc1C#N"	0	""	""	2	2	"398491"	NA
"708404"	708404	"Didemnimide A"	"O=C1NC(=O)C(=C1c2cnc[nH]2)c3c[nH]c4ccccc34"	0	""	""	1	1	"398493"	NA
"708406"	708406	"Didemnimide B"	"Brc1ccc2c(c[nH]c2c1)C3=C(C(=O)NC3=O)c4cnc[nH]4"	0	""	""	1	1	"398495"	NA
"708409"	708409	"[(1R,11S,12S)-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3CO[C@@H](C3CO)c4cc5OCOc5cc24"	0	""	""	1	1	"54611494"	NA
"708410"	708410	"(E)-1-(4-methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	"COc1ccc(\C=N\c2nc3cc4sc(\N=C\c5ccc(OC)cc5)nc4cc3s2)cc1"	0	""	""	2	2	"54611474"	NA
"708411"	708411	"(E)-N-[2-[(E)-benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine"	"C(=N\c1nc2cc3sc(\N=C\c4ccccc4)nc3cc2s1)/c5ccccc5"	0	""	""	2	1	"54611475"	NA
"708412"	708412	"(E)-1-thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	"C(=N\c1nc2cc3sc(\N=C\c4cccs4)nc3cc2s1)/c5cccs5"	0	""	""	1	1	"54611488"	NA
"708413"	708413	"(E,E)-3-phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine"	"C(=C\c1ccccc1)/C=N/c2nc3cc4sc(\N=C\C=C\c5ccccc5)nc4cc3s2"	0	""	""	2	2	"54611483"	NA
"708415"	708415	"2-ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol"	"CCOc1cc(\C=N\c2nc3cc4sc(\N=C\c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O"	0	""	""	1	1	"135505246"	NA
"708416"	708416	"4-[(E)-[2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2nc3cc4sc(\N=C\c5ccc(cc5)N(C)C)nc4cc3s2)cc1"	0	""	""	1	1	"54611485"	NA
"708417"	708417	"2-[(E)-[2-[(E)-(2-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol"	"Oc1ccccc1\C=N\c2nc3cc4sc(\N=C\c5ccccc5O)nc4cc3s2"	0	""	""	2	2	"135505247"	NA
"708419"	708419	"3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one"	"O=C1CSC(N1c2nc3cc4sc(nc4cc3s2)N5C(SCC5=O)c6ccccc6)c7ccccc7"	0	""	""	2	2	"398508"	NA
"708420"	708420	"3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one"	"O=C1CSC(N1c2nc3cc4sc(nc4cc3s2)N5C(SCC5=O)c6cccs6)c7cccs7"	0	""	""	1	1	"398509"	NA
"708421"	708421	"3-[2-[4-oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one"	"O=C1CSC(\C=C\c2ccccc2)N1c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)\C=C\c7ccccc7"	0	""	""	2	2	"5471094"	NA
"708422"	708422	"2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"CCOc1cc(ccc1O)C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccc(O)c(OCC)c7"	0	""	""	2	2	"398511"	NA
"708423"	708423	"2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"CN(C)c1ccc(cc1)C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccc(cc7)N(C)C"	0	""	""	2	2	"398512"	NA
"708424"	708424	"2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"Oc1ccccc1C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccccc7O"	0	""	""	2	2	"398513"	NA
"708426"	708426	"N-[3-methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c[nH]c3ccc4ncccc4c23"	0	""	""	2	1	"398515"	NA
"708428"	708428	"N-[3-methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c[nH]c3ccc4nc(C)ccc4c23"	0	""	""	1	1	"398517"	NA
"708429"	708429	"1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanyl-benzene"	"CC(C)(C)c1cc(c(SS(=O)(=O)O)c(O)c1O)C(C)(C)C"	0	""	""	1	1	"398518"	NA
"708431"	708431	"5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one"	"CC(C)(C)c1cc(c2SCC(=O)Oc2c1O)C(C)(C)C"	0	""	""	2	1	"398520"	NA
"708433"	708433	"2-(4,6-Ditert-butyl-2,3-dihydroxy-phenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol"	"CC(C)(C)c1cc(c(SC2OC(CO)C(O)C(O)C2O)c(O)c1O)C(C)(C)C"	0	""	""	2	1	"398522"	NA
"708440"	708440	"3-Bromoacetamido-benzoylurea"	"NC(=O)NC(=O)c1cccc(NC(=O)CBr)c1"	0	""	""	2	2	"398525"	NA
"708441"	708441	"3-iodoacetamido-benzoylurea"	"NC(=O)NC(=O)c1cccc(NC(=O)CI)c1"	0	""	""	2	2	"398526"	NA
"708442"	708442	"4-Bromoacetamido-benzoylurea"	"NC(=O)NC(=O)c1ccc(NC(=O)CBr)cc1"	0	""	""	2	2	"398527"	NA
"708443"	708443	"3-chloroacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CCl)c1"	0	""	""	2	1	"398528"	NA
"708444"	708444	"3-bromoacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CBr)c1"	0	""	""	2	2	"398529"	NA
"708445"	708445	"3-Iodoacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CI)c1"	0	""	""	2	2	"398530"	NA
"708446"	708446	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	"398531"	NA
"708447"	708447	"[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3COP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)N6C=C(F)C(=O)NC6=O)C(O)C2O"	0	""	""	2	2	"398532"	NA
"708472"	708472	"beauvericin (8ci, 9ci)"	"CC(C)C1OC(=O)C(Cc2ccccc2)N(C)C(=O)C(OC(=O)C(Cc3ccccc3)N(C)C(=O)C(OC(=O)C(Cc4ccccc4)N(C)C1=O)C(C)C)C(C)C"	0	""	""	2	1	"105014"	NA
"708483"	708483	"(4-methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone"	"COc1ccc(cc1)C(=O)c2ccc(cc2)n3cc(\C=C\[N+](=O)[O-])c4ccccc34"	0	""	""	2	2	"5471105"	NA
"708486"	708486	"diindolylmethane"	"C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34"	0	""	""	1	1	"3071"	NA
"708488"	708488	"(3s,6s,6As)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2h-furo[2,3-d]furan-5-one"	"CCOn1cc(C[C@@]2(O)C(=O)OC3[C@@H](O)CO[C@]23O)c4ccccc14"	0	""	""	1	1	"398552"	NA
"708489"	708489	"1H-Indole-3-methanol, 1-methoxy-"	"COn1cc(CO)c2ccccc12"	0	""	""	2	2	"398553"	NA
"708490"	708490	"Q63409863"	"COn1cc(C=O)c2ccccc12"	0	""	""	2	2	"398554"	NA
"708495"	708495	"Pancratistatin,1-O-(3-hydroxybutyryl)-"	"CC(O)CC(=O)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12"	0	""	""	2	2	"398555"	NA
"708496"	708496	"1-o-(3-o-.beta.-d-glucopyranosylbutyryl)pancratistatin"	"CC(CC(=O)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12)OC5OC(CO)C(O)C(O)C5O"	0	""	""	2	1	"398556"	NA
"708534"	708534	"(1S,13R)-10-[2-(4-aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride"	"C[C@H]1C2Cc3cc(O)ccc3[C@@]1(C)CCN2CCc4ccc(N)cc4"	0	""	""	1	1	"398561"	NA
"708546"	708546	"N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	"CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	"398577"	NA
"708548"	708548	"N'-[2-(3,4-dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide"	"CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN2CCCC2"	0	""	""	2	2	"398581"	NA
"708550"	708550	"N-[2-(3,4-dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	"CN(CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	"398585"	NA
"708551"	708551	"N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide"	"CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	"398587"	NA
"708559"	708559	"benzeneacetamide, 3,4-dichloro-n-methyl-n-[3- [(methyl)[..."	"CN(CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)CCCN2CCCC2"	0	""	""	2	2	"398603"	NA
"708560"	708560	"2-(3,4-dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid"	"Clc1ccc(CC(=O)NCCCN2CCN(CCCN3CCCCC3)CC2)cc1Cl"	0	""	""	1	1	"398605"	NA
"708562"	708562	"2-(3,4-dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid"	"CN(CCCCN1CCCC1)CCCN(C)C(=O)Cc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"398608"	NA
"708563"	708563	"2-(3,4-dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid"	"CN(CCCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)CCCCN2CCCC2"	0	""	""	1	1	"398610"	NA
"708564"	708564	"2-(3,4-dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid"	"CN(CCN(C)CCN1CCCC1)CCN(C)C(=O)Cc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	"398612"	NA
"708594"	708594	"2-[(1,3-Dimethyl-2,4-dioxo-pyrimidin-5-yl)methylene]propanedinitrile"	"CN1C=C(C=C(C#N)C#N)C(=O)N(C)C1=O"	0	""	""	1	1	"398627"	NA
"708595"	708595	"2-[(2,4-Dioxo-1h-pyrimidin-5-yl)methylene]propanedinitrile"	"O=C1NC=C(C=C(C#N)C#N)C(=O)N1"	0	""	""	1	1	"398628"	NA
"708781"	708781	"3-(4-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	"398631"	NA
"708782"	708782	"3-(3-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4cccc(Cl)c4"	0	""	""	1	1	"398632"	NA
"708785"	708785	"3-(4-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C(=O)n13)c4ccc(Cl)cc4"	0	""	""	1	1	"398635"	NA
"708787"	708787	"6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C(=O)n13)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"398637"	NA
"708788"	708788	"3-Cyclohexyl-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C4CCCCC4)C(=O)n13"	0	""	""	1	1	"398638"	NA
"708789"	708789	"3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"COc1ccc(cc1)N2N=Nc3c(C#N)c(c(C)n3C2=O)c4ccccc4"	0	""	""	1	1	"398639"	NA
"708791"	708791	"Bulbophyllanthrone"	"COc1ccc2c(c1)C(=O)C(=O)c3cc(O)c(OC)c(OC)c23"	0	""	""	2	2	"398641"	NA
"708804"	708804	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane"	"C1CN2CCNCCN(CCN1)CC2"	0	""	""	1	1	"398645"	NA
"708806"	708806	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-"	"C(N1CCN2CCN(Cc3ccccc3)CCN(CC1)CC2)c4ccccc4"	0	""	""	2	2	"398647"	NA
"708807"	708807	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane"	"C1CNCCN2CCCNCCN(C1)CC2"	0	""	""	1	1	"398648"	NA
"708808"	708808	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-"	"C(N1CCCN2CCN(Cc3ccccc3)CCCN(CC1)CC2)c4ccccc4"	0	""	""	1	1	"398649"	NA
"708809"	708809	"5,11-Dimethyl-1,5,8,11-tetrazabicyclo[6.5.2]pentadecane"	"CN1CCCN2CCN(C)CCN(CC1)CC2"	0	""	""	1	1	"398650"	NA
"708810"	708810	"(4-Amino-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone"	"Nc1ccc(C(=O)c2cn(CCN3CCOCC3)c4ccccc24)c5ccccc15"	0	""	""	1	1	"398651"	NA
"708814"	708814	"benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate"	"Clc1ccc(cc1)C2=NCC(=O)N(CCNC(=O)OCc3ccccc3)c4ccc(Cl)cc24"	0	""	""	1	1	"398656"	NA
"708815"	708815	"1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one hydrochloride"	"NCCN1C(=O)CN=C(c2ccc(Cl)cc2)c3cc(Cl)ccc13"	0	""	""	1	1	"398657"	NA
"708822"	708822	"4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride"	"CCC(CC)NC(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3cccc(OC)c3"	0	""	""	1	1	"5471112"	NA
"708824"	708824	"[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid"	"COc1cccc(c1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3ccc(cc3)C(=O)N4CCCCC4"	0	""	""	1	1	"398674"	NA
"708830"	708830	"5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one"	"CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)N=C=S"	0	""	""	1	1	"398681"	NA
"708837"	708837	"(14R)-11,15-dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione"	"COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C6(OC)C=CC35C7C6C(=O)NNC7=O"	0	""	""	1	1	"398688"	NA
"708846"	708846	"4,6-Dibromo-1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine hydrochloride"	"CCOc1ccc(Cc2nc3c(Br)c(N)c(Br)cc3n2CCN(CC)CC)cc1"	0	""	""	1	1	"398700"	NA
"708852"	708852	"tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate"	"CC(C)(C)OC(=O)N1[C@@H]2Cc3ccc(N)cc3[C@@]1(C)c4ccccc24"	0	""	""	1	1	"6712746"	NA
"708854"	708854	"[4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexoxy]-trimethyl-silane"	"C[Si](C)(C)OC1CCC(CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	"398710"	NA
"708857"	708857	"N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide"	"COc1ccccc1N2CCN(CCCCNC(=O)c3oc(cc3)[N+](=O)[O-])CC2"	0	""	""	2	2	"398713"	NA
"708858"	708858	"1-[1-(5-Bromo-2-thienyl)cyclohexyl]piperidine hydrochloride"	"Brc1ccc(s1)C2(CCCCC2)N3CCCCC3"	0	""	""	1	1	"398714"	NA
"708924"	708924	"Dehydroglaucine"	"COc1cc2cc3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34"	0	""	""	2	2	"398788"	NA
"708929"	708929	"neferine"	"COc1ccc(CC2N(C)CCc3cc(OC)c(Oc4cc(CC5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc23)cc1"	0	""	""	2	2	"398793"	NA
"708931"	708931	"24-methylenecholesta-5,24(28)-diene-3.beta.,5.alpha.,6.b..."	"CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C"	0	""	""	2	1	"398795"	NA
"708935"	708935	"tc6"	"C[C@H](C1CC(C)(O)C(C)(O)C(O)O1)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]6(O)CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	""	""	1	1	"398799"	NA
"708936"	708936	"cimiaceroside a"	"C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@@]2(O)O[C@H]3C[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)OC8OCC(O)C(O)C8O"	0	""	""	2	1	"398800"	NA
"708962"	708962	"2-[(2R,6S,14S)-5-(2-aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol"	"CCCC(C)(O)C1CC23C=CC1(OC)[C@H]4Oc5c(OC)ccc6C[C@@H]2N(CCN)CC[C@]34c56"	0	""	""	1	1	"6712750"	NA
"708980"	708980	"N-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide"	"Clc1cc2CCC(Cc2cc1Cl)N(CCN3CCCC3)C=O"	0	""	""	1	1	"398842"	NA
"708981"	708981	"ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate"	"CCOC(=O)N(C)CCC1CC=CC(=O)C1c2cccc(OC)c2OC"	0	""	""	1	1	"398844"	NA
"708983"	708983	"(9R)-4-bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one"	"COc1cc(Br)cc2c1O[C@H]3C(=O)CC4CC23CCN4C"	0	""	""	1	1	"398847"	NA
"708987"	708987	"(E)-but-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide"	"CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3ccc(Cl)cc3Cl"	0	""	""	1	1	"54611514"	NA
"709001"	709001	"1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide"	"COc1cc2CCN(C(Cc3ccc(OCc4ccccc4)c(OCc5ccccc5)c3)c2cc1O)C(=O)NCCc6ccccc6"	0	""	""	1	1	"398849"	NA
"709079"	709079	"N'-(4-chloroanilino)pyrazine-2-carboximidamide"	"N\C(=N/Nc1ccc(Cl)cc1)\c2cnccn2"	0	""	""	1	1	"9572225"	NA
"709080"	709080	"4-[(2Z)-2-[amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid"	"N\C(=N/Nc1ccc(cc1)C(=O)O)\c2cnccn2"	0	""	""	1	1	"9572226"	NA
"709085"	709085	"N'-(3-chloroanilino)pyridine-3-carboximidamide"	"N\C(=N/Nc1cccc(Cl)c1)\c2cccnc2"	0	""	""	2	2	"9572231"	NA
"709089"	709089	"N'-[(E)-benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine"	"N\C(=N/N=C/c1cc2ccccc2s1)\c3cnccn3"	0	""	""	1	1	"9575101"	NA
"709090"	709090	"N'-[(E)-1,3-benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine"	"N\C(=N/N=C/c1oc2ccccc2n1)\c3cnccn3"	0	""	""	1	1	"9575105"	NA
"709091"	709091	"1-(1,3-Benzothiazol-2-yl)-3-(2-pyridyl)-1,2,4-triazaspiro[4.5]dec-3-ene"	"C1CCC2(CC1)NC(=NN2c3nc4ccccc4s3)c5ccccn5"	0	""	""	1	1	"398870"	NA
"709096"	709096	"(2E,4E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\C=C\c2ccccc2"	0	""	""	2	2	"54611541"	NA
"709098"	709098	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2ccc(O)c(O)c2O"	0	""	""	2	1	"5471154"	NA
"709099"	709099	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2c(Cl)cccc2Cl"	0	""	""	2	2	"5471155"	NA
"709100"	709100	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1OC"	0	""	""	2	2	"5471156"	NA
"709101"	709101	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	"CN(C)c1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1"	0	""	""	2	2	"5471157"	NA
"709102"	709102	"(E)-3-(1,3-benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	2	2	"5471158"	NA
"709103"	709103	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	"CCN(CC)c1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1"	0	""	""	2	2	"5471159"	NA
"709104"	709104	"2-propenone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphen..."	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2cc[nH]n2"	0	""	""	2	2	"5471160"	NA
"709109"	709109	"2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone"	"CC(C)(C)C1=CC(=C2Oc3ccccc3C=C2)C=C(C1=O)C(C)(C)C"	0	""	""	2	1	"398888"	NA
"709112"	709112	"(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester"	"COC(=O)\C(=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)\C#N"	0	""	""	2	1	"5471164"	NA
"709115"	709115	"2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2NCCO2"	0	""	""	1	1	"398894"	NA
"709117"	709117	"(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one"	"CC(C)(C)c1cc(\C=C/2\NC(=S)N(CC=C)C2=O)cc(c1O)C(C)(C)C"	0	""	""	1	1	"5471168"	NA
"709125"	709125	"2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one"	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+](=O)[O-])c2cc1OC"	0	""	""	2	2	"5331104"	NA
"709136"	709136	"2-[(E)-[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"9572239"	NA
"709137"	709137	"2-[(E)-[6-(4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"9572241"	NA
"709138"	709138	"2-[(E)-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	2	2	"9572243"	NA
"709148"	709148	"1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)CC(c12)n3cccc3"	0	""	""	2	2	"398914"	NA
"709152"	709152	"Cyclopenta[c]thiophene-4,5,6-trione"	"O=C1C(=O)c2cscc2C1=O"	0	""	""	1	1	"398918"	NA
"709153"	709153	"(5R,6R)-1,3-dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one"	"O[C@@H]1[C@H](O)c2c(Br)sc(Br)c2C1=O"	0	""	""	2	2	"398919"	NA
"709156"	709156	"1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one"	"BrC1CC(=O)c2c(Br)sc(Br)c12"	0	""	""	1	1	"398922"	NA
"709157"	709157	"(5S,6R)-1,3-dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Cl[C@@H]1[C@H](Cl)c2c(Br)sc(Br)c2C1=O"	0	""	""	1	1	"398923"	NA
"709159"	709159	"4-Chloro-3-methyl-1-(2,4,6-triisopropylphenyl)-1$l5-phosphacyclohex-2-ene 1-oxide"	"CC(C)c1cc(C(C)C)c(c(c1)C(C)C)P2(=O)CCC(Cl)C(=C2)C"	0	""	""	1	1	"398925"	NA
"709237"	709237	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5cc(O)ccc5nc34)C2=O"	0	"TOP1"	""	2	1	"398933"	NA
"709238"	709238	"hepta-2,4-dienamide, 7-[4-(dimethylamino)phenyl]-n-hydro..."	"CC(\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C"	0	NA	NA	2	2	"530183"	NA
"709246"	709246	"Jusmicranthin ethyl ether"	"CCOC1OC(=O)c2cc3ccc4OCOc4c3c(c5ccc6OCOc6c5)c12"	0	""	""	2	2	"398934"	NA
"709250"	709250	"Flexinine"	"O[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6cc5C3"	0	""	""	1	1	"398936"	NA
"709251"	709251	"Augustine"	"CO[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6cc5C3"	0	""	""	1	1	"157561"	NA
"709257"	709257	"quinoline, 7-chloro-4-[3-(2-nitroimidazolyl)propylamino]..."	"[O-][N+](=O)c1nccn1CCCNc2ccnc3cc(Cl)ccc23"	0	NA	NA	3	1	"530190"	NA
"709311"	709311	"Decipidone"	"CCCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)C)[C@@H](C)C[C@]2(O)C(=O)[C@@](C)(OC(=O)C)[C@@H]3[C@H](C=C[C@@H](OC(=O)C)[C@@]13COC(=O)C)C(=C)C"	0	""	""	1	1	"398943"	NA
"709314"	709314	"[[3-(2-Benzyloxy-2-oxo-ethoxy)phenyl]-cyano-methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"	"CC1(C)C(C(=O)OC(C#N)c2cccc(OCC(=O)OCc3ccccc3)c2)C1(C)C"	0	""	""	1	1	"398946"	NA
"709317"	709317	"dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate"	"COC(=O)[C@@H]1[C@H]([C@H](C(=O)OC)C2(C[C@@]1(C)O)NCCS2)c3cccc(Cl)c3"	0	""	""	1	1	"398949"	NA
"709318"	709318	"2-[(4-chlorophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole"	"Clc1ccc(Cc2nc3cc(CCN4CCN(CC4)c5ccccc5)ccc3[nH]2)cc1"	0	""	""	1	1	"398950"	NA
"709319"	709319	"3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione"	"CN1CSC(=S)N(C1)c2c3ccccc3nc4ccc(Br)cc24"	0	""	""	2	1	"6712756"	NA
"709322"	709322	"Dimethyl(1r,2r,3r,4r)-1,4-dimethyl-2,3,4,11-tetrahydro-1h-benzo[a]carbazole-2,3-dicarboxylate"	"COC(=O)[C@@H]1[C@@H](C)c2ccc3c4ccccc4[nH]c3c2[C@H](C)[C@H]1C(=O)OC"	0	""	""	1	1	"398953"	NA
"709340"	709340	"4,7-dimethoxy-2-(methoxymethyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole"	"COCc1nc2c(OC)c(cc(OC)c2[nH]1)c3nc4ccc(cc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	"398956"	NA
"709341"	709341	"2-(ethoxymethyl)-4,7-dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole"	"CCOCc1nc2c(OC)c(cc(OC)c2[nH]1)c3nc4ccc(cc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	"398957"	NA
"709357"	709357	"2-acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one"	"CC(=O)N1N=C(N(\N=C\c2oc(cc2)[N+](=O)[O-])C1=O)c3ccccc3"	0	""	""	3	2	"54611520"	NA
"709358"	709358	"1h-pyrrole-2-carboxamide, n-[3-(dimethylamino)propyl]-1-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)c5)n(C)c4"	0	""	""	2	2	"398964"	NA
"709359"	709359	"4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)c6)n(C)c5)n(C)c4"	0	""	""	2	2	"398965"	NA
"709360"	709360	"(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide"	"O=C(NCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	1	1	"5471188"	NA
"709361"	709361	"(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide"	"O=C(NCCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	2	2	"5471189"	NA
"709362"	709362	"acetamide, n,n'-(1,5-pentanediyl)bis[2-(1,3,5,11a-tetrah..."	"O=C(NCCCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	2	2	"5471190"	NA
"709381"	709381	"(25r)-26-o-.beta.-d-glucopyranosyl-22-o-methy-5.alpaha.-..."	"COC1(CC[C@@H](C)COC2OC(CO)C(O)C(O)C2O)OC3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)C3[C@@H]1C"	0	""	""	2	1	"398982"	NA
"709432"	709432	"RSC000437"	"CCNc1nc(N)c(s1)C(=O)c2ccc(Cl)cc2"	0	""	""	1	1	"399011"	NA
"709433"	709433	"(4-Amino-2-anilino-thiazol-5-yl)-(2-thienyl)methanone"	"Nc1nc(Nc2ccccc2)sc1C(=O)c3cccs3"	0	""	""	2	2	"399012"	NA
"709435"	709435	"3-(4-Amino-2-anilino-thiazole-5-carbonyl)chromen-2-one"	"Nc1nc(Nc2ccccc2)sc1C(=O)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	"399014"	NA
"709437"	709437	"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-thienyl)methanone"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3cccs3)cc1"	0	""	""	2	2	"399016"	NA
"709438"	709438	"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-furyl)methanone"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3occc3)cc1"	0	""	""	2	2	"399017"	NA
"709439"	709439	"methanone, [4-amino-2-[(4-methoxyphenyl)amino]-5-thiazol..."	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3c[nH]c4ccccc34)cc1"	0	""	""	2	2	"399018"	NA
"709440"	709440	"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(2-thienyl)methanone"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c3cccs3"	0	""	""	1	1	"399019"	NA
"709447"	709447	"5,6-Dichloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride"	"Nc1nc(nc(Cl)c1Cl)[n+]2ccc(cc2)c3ccncc3"	0	""	""	1	1	"399031"	NA
"709475"	709475	"(E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one"	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)\C=C\c4occc4"	0	""	""	1	1	"5471213"	NA
"709477"	709477	"(E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one"	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)\C=C\c4cccs4"	0	""	""	1	1	"5471215"	NA
"709480"	709480	"3-(4-methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)c2cn3c4ccccc4nc3c(\C=C\c5cccs5)n2"	0	""	""	1	1	"5471218"	NA
"709481"	709481	"3-(4-chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)c2cn3c4ccccc4nc3c(\C=C\c5cccs5)n2"	0	""	""	1	1	"5471219"	NA
"709482"	709482	"4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCOCC6)cc5"	0	""	""	2	2	"399071"	NA
"709483"	709483	"4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	"Clc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCOCC6)cc5"	0	""	""	1	1	"399072"	NA
"709484"	709484	"3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCCCC6)cc5"	0	""	""	2	1	"399073"	NA
"709501"	709501	"9-amino-7-(4-chlorophenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile"	"Nc1c(C#N)c(c2COc3ccccc3c2c1C#N)c4ccc(Cl)cc4"	0	""	""	1	1	"399085"	NA
"709502"	709502	"9-amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile"	"COc1cc(cc(OC)c1OC)c2c3COc4ccccc4c3c(C#N)c(N)c2C#N"	0	""	""	2	1	"399086"	NA
"709504"	709504	"2-Amino-4-(p-tolyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile"	"Cc1ccc(cc1)C2=C(C#N)C(N)OC3=C2COc4ccccc34"	0	""	""	1	1	"399088"	NA
"709505"	709505	"2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile"	"COc1cc(cc(OC)c1OC)C2=C(C#N)C(N)OC3=C2COc4ccccc34"	0	""	""	1	1	"399089"	NA
"709507"	709507	"BC4154941"	"Nc1sc2COc3ccccc3c2c1C#N"	0	""	""	1	1	"399091"	NA
"709508"	709508	""	"ClC1=CCC2(OC23COc4ccccc4C3=O)C=C1"	0	""	""	1	1	"399092"	NA
"709511"	709511	""	"COC1=C(OC)C(=CC2(C1)OC23COc4ccccc4C3=O)OC"	0	""	""	1	1	"399095"	NA
"709512"	709512	"4-Phenyltetrazolo[1,5-a]quinoxaline"	"c1ccc(cc1)c2nc3ccccc3n4nnnc24"	0	""	""	1	1	"399096"	NA
"709515"	709515	"1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline"	"Clc1ccccc1c2nnc3c(nc4ccccc4n23)c5ccccc5"	0	""	""	1	1	"399099"	NA
"709516"	709516	"1-(3-Methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline"	"COc1cccc(c1)c2nnc3c(nc4ccccc4n23)c5ccccc5"	0	""	""	2	2	"399100"	NA
"709518"	709518	"2,5-diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"C1N2C(=NN=C1c3ccccc3)C(=Nc4ccccc24)c5ccccc5"	0	""	""	2	2	"399102"	NA
"709520"	709520	"2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"Cc1ccc(cc1)C2=NN=C3N(C2)c4ccccc4N=C3c5ccccc5"	0	""	""	2	2	"399104"	NA
"709521"	709521	"2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"COc1ccc(cc1)C2=NN=C3N(C2)c4ccccc4N=C3c5ccccc5"	0	""	""	1	1	"399105"	NA
"709535"	709535	"2-(5-Anilino-1,3,4-thiadiazol-2-yl)benzo[f]chromen-3-one"	"O=C1Oc2ccc3ccccc3c2C=C1c4nnc(Nc5ccccc5)s4"	0	""	""	1	1	"399116"	NA
"709540"	709540	"2-imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide"	"COc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3cccc4ccccc34"	0	""	""	1	1	"399121"	NA
"709553"	709553	"7-(diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide"	"CCN(CC)c1ccc2C=C(C(=O)Nc3ccccc3OC)C(=N)Oc2c1"	0	""	""	1	1	"399134"	NA
"709562"	709562	"N-(2,4-dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"CC12CC(C(C(=O)Nc3ccc(Cl)cc3Cl)C(=O)N1)c4ccccc4O2"	0	""	""	1	1	"399143"	NA
"709563"	709563	"N-(2-fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4ccccc4F)\Oc2c1"	0	""	""	1	1	"135426693"	NA
"709564"	709564	"N-(2-fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4cccc(F)c4)\Oc2c1"	0	""	""	1	1	"135426694"	NA
"709566"	709566	"N-(2-fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4cccc(c4)C(F)(F)F)\Oc2c1"	0	""	""	1	1	"135426695"	NA
"709568"	709568	"N-(3-fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3cccc(F)c3)\C(=N\c4cccc(F)c4)\Oc2c1"	0	""	""	1	1	"135426697"	NA
"709570"	709570	"N-(4-fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccc(F)cc3)\C(=N\c4ccccc4F)\Oc2c1"	0	""	""	1	1	"135426698"	NA
"709580"	709580	"6-hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide"	"CCCCCCc1cc2C=C(C(=O)Nc3cccc(c3)C(F)(F)F)C(=N)Oc2cc1O"	0	""	""	2	2	"135426702"	NA
"709581"	709581	"N-(4-fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide"	"CCCCCCc1cc2C=C(C(=O)Nc3ccc(F)cc3)C(=N)Oc2cc1O"	0	""	""	1	1	"135426703"	NA
"709582"	709582	"11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione"	"O=C1NC(=O)C2=Cc3c(OC2=C1)ccc4ccccc34"	0	""	""	1	1	"399163"	NA
"709588"	709588	"EU-0000702"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nnc([nH]3)c4ccccc4"	0	""	""	1	1	"399169"	NA
"709589"	709589	"STK065845"	"[O-][N+](=O)c1ccc(cc1)c2nnc([nH]2)C3=Cc4c(OC3=O)ccc5ccccc45"	0	""	""	1	1	"399170"	NA
"709598"	709598	"Tachpyr"	"C(N[C@@H]1C[C@@H](C[C@@H](C1)NCc2ccccn2)NCc3ccccn3)c4ccccn4"	0	""	""	4	4	"399175"	"177660401"
"709746"	709746	"1-[(9r,10r)-10-Allyl-10-(4,4-dimethyl-5h-oxazol-2-yl)-9h-phenanthren-9-yl]ethanone"	"CC(=O)[C@@H]1c2ccccc2c3ccccc3[C@]1(CC=C)C4=NC(C)(C)CO4"	0	""	""	2	1	"399176"	NA
"709748"	709748	"pyridazin-3(2h)-one, 4-bromo-2-(1,1-dibromo-2-oxopropyl)..."	"COc1ccc(OC2=C(Br)C(=O)N(N=C2)C(Br)(Br)C(=O)C)cc1"	0	""	""	2	2	"399178"	NA
"709752"	709752	"23-O-acetylshengmanol xyloside"	"C[C@H](C[C@@H](OC(=O)C)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)C4CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)OC7OCC(O)C(O)C7O"	0	""	""	1	1	"399180"	NA
"709753"	709753	"(24s)-24-o-acetyl,-7,8-didehydroshengmanol xyloside"	"C[C@@H]1CC(O[C@@]2(O)[C@H](O)[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12)OC7OCC(O)C(O)C7O)[C@H](OC(=O)C)C(C)(C)O"	0	""	""	1	1	"399181"	NA
"709756"	709756	"2,3-dimethyl-8,9-(methylenedioxy)-11h-indeno[1,2-c]isoqu..."	"COc1cc2cnc3c(Cc4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"11976942"	NA
"709848"	709848	"Tetra(N-methyl-2-pyridyl)-porphyrin Chloride"	"C[n+]1ccccc1\C\2=C\3/C=CC(=N3)\C(=C\4/N\C(=C(/C5=N\C(=C(/C6NC2C=C6)\c7cccc[n+]7C)\C=C5)\c8cccc[n+]8C)\C=C4)\c9cccc[n+]9C"	0	""	""	1	1	"5471231"	NA
"709849"	709849	"17-[(3S)-3-aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride"	"N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5cc6oc7ccccc7c6cc5Oc2c34)C(=O)O"	0	""	""	2	2	"54611538"	NA
"709852"	709852	"[(9Z,17Z)-24-(3-hydroxypropanoyloxy)tetracosa-9,17-dienyl] 3-hydroxypropanoate"	"OCCC(=O)OCCCCCCCC\C=C/CCCCCC\C=C/CCCCCCOC(=O)CCO"	0	""	""	1	1	"5471233"	NA
"709855"	709855	"Methyl 4-dimethylamino-2-ethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate"	"CCc1nc2c(CCc3ccccc23)c(N(C)C)c1C(=O)OC"	0	""	""	1	1	"399193"	NA
"709858"	709858	"butanoic acid, 3,4-dihydroxy-2-methylene-, 1,3,3a,4,5,8,..."	"C\C\1=C\CC\C(=C\[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(O)CO)C(=C)OC2=O)\CO"	0	""	""	2	2	"5471234"	NA
"709876"	709876	"6-hydroxyundulatine"	"CO[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6c(OC)c5C3O"	0	""	""	1	1	"399203"	NA
"709882"	709882	"Cirensenoxide G"	"CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@@]8(C)CC[C@H](O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)C(=C)C)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O"	0	""	""	2	1	"399208"	NA
"709900"	709900	"isoxazolo[5,4-d]-1,2,3-triazin-4(3h)-one, 3-(4-chlorophe..."	"Cc1noc2N=NN(C(=O)c12)c3ccc(Cl)cc3"	0	""	""	2	2	"399226"	NA
"709906"	709906	"(3s,6r)-1,4-Bis(4-methoxybenzyl)-3-(1-methylethyl)-6-prop-2-yn-1-ylpiperazine-2,5-dione"	"COc1ccc(CN2[C@H](CC#C)C(=O)N(Cc3ccc(OC)cc3)[C@@H](C(C)C)C2=O)cc1"	0	""	""	1	1	"399233"	NA
"709907"	709907	"N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine"	"CN(C)CCNCc1ccc2c(nc3cc(Cl)c(Cl)cc3n12)c4ccccc4"	0	""	""	3	1	"399234"	NA
"709913"	709913	"2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one"	"CC1=Nc2cc(Cl)ccc2C(=O)N1c3ncc(C)s3"	0	""	""	1	1	"399240"	NA
"709922"	709922	"landomycin e"	"CC1OC(CCC1O)OC2CC(OC3C(O)CC(Oc4ccc(O)c5C(=O)C6=C(C(O)Cc7cc(C)cc(O)c67)C(=O)c45)OC3C)OC(C)C2O"	0	""	""	2	2	"399246"	NA
"709923"	709923	"ZX-AH054289"	"Nc1ccc(cc1)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"399247"	NA
"709924"	709924	"(2S)-2-amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1C)c2nc3ccc(F)cc3s2"	0	""	""	2	2	"54611546"	NA
"709925"	709925	"2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Br)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"399248"	NA
"709926"	709926	"IMJKFJZKKOFDFI-UHFFFAOYSA-N"	"Nc1ccc(cc1I)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"399249"	NA
"709927"	709927	"2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Cl)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"399250"	NA
"709928"	709928	"N-[dimethoxyphosphoryl(furan-2-yl)methyl]-4-[[4-[[dimethoxyphosphoryl(furan-2-yl)methyl]amino]phenyl]methyl]aniline"	"COP(=O)(OC)C(Nc1ccc(Cc2ccc(NC(c3occc3)P(=O)(OC)OC)cc2)cc1)c4occc4"	0	""	""	1	1	"399251"	NA
"709944"	709944	"benzyl trisulfide"	"C(SSSCc1ccccc1)c2ccccc2"	0	""	""	2	2	"122842"	NA
"709948"	709948	"[(1R,2S,10S,13S,14R,17S)-7-chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5ccc(Cl)nc45)[C@@H]3CC=C2C1"	0	""	""	1	1	"399256"	NA
"709953"	709953	"[(1R,2S,9S,12S,13R,16S)-7,9,13-trimethyl-5-phenyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(C)nn5c6ccccc6)[C@@H]3CC=C2C1"	0	""	""	1	1	"399261"	NA
"709954"	709954	"(1R,2S,10S,13S,14R,17S)-7-chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3Cc5ccc(Cl)nc45"	0	""	""	2	2	"399262"	NA
"709958"	709958	"tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate"	"CC(CCCCNC(=O)OC(C)(C)C)NC(=O)NC(C)CCCCNC(=O)OC(C)(C)C"	0	""	""	1	1	"399266"	NA
"709969"	709969	"(2R,6R)-9,11-dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=O)O[C@@H]3c12"	0	""	""	2	2	"399280"	NA
"709970"	709970	"(2R,6R)-9,11-dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one"	"Brc1sc(Br)c2C(=O)[C@@H]3OC(=S)N[C@@H]3c12"	0	""	""	2	1	"5471245"	NA
"709971"	709971	"7h-thieno[3',4':3,4]cyclopent[1,2-d]oxazol-7-one, 4,6-di..."	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=S)O[C@@H]3c12"	0	""	""	2	2	"5471246"	NA
"709974"	709974	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCOCC3)c4ccccc4"	0	""	""	1	1	"399285"	NA
"709975"	709975	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] piperidine-1-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCCCC3)c4ccccc4"	0	""	""	1	1	"399286"	NA
"709976"	709976	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] pyrrolidine-1-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCCC3)c4ccccc4"	0	""	""	1	1	"399287"	NA
"709978"	709978	"[1-Methyl-2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate"	"CC(SC(=S)N1CCOCC1)C(=O)Nc2oc(nn2)c3ccccc3"	0	""	""	1	1	"399289"	NA
"709980"	709980	"1-piperidinecarbodithioic acid, 2-[[5-(4-chlorophenyl)-1..."	"Clc1ccc(cc1)c2oc(NC(=O)C(SC(=S)N3CCCCC3)c4ccccc4)nn2"	0	""	""	2	1	"399291"	NA
"709981"	709981	"[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate"	"CC(SC(=S)N(C)C)C(=O)Nc1oc(nn1)c2ccc(Cl)cc2"	0	""	""	1	1	"399292"	NA
"709982"	709982	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] morpholine-4-carbodithioate"	"CC(SC(=S)N1CCOCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	"399293"	NA
"709983"	709983	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] piperidine-1-carbodithioate"	"CC(SC(=S)N1CCCCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	"399294"	NA
"709984"	709984	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate"	"CC(SC(=S)N1CCCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	"399295"	NA
"709985"	709985	"N'-(furan-2-ylmethyl)-1H-indole-2-carbohydrazide"	"O=C(NNCc1occc1)c2cc3ccccc3[nH]2"	0	""	""	2	2	"399296"	NA
"709986"	709986	"N-[bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide"	"CN(C)c1ccc(cc1)C(=NNC(=O)c2cc3ccccc3[nH]2)c4ccc(cc4)N(C)C"	0	""	""	2	2	"399297"	NA
"709991"	709991	"1-(1-Acetyl-1H-indol-3-yl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one"	"CC(=O)n1cc(C2CC23N=C(OC3=O)c4ccccc4)c5ccccc15"	0	""	""	2	1	"399302"	NA
"709992"	709992	"Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester"	"COc1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1OC(=O)C"	0	""	""	1	1	"740151"	NA
"709993"	709993	"5-Benzylsulfanyl-1-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one"	"O=C1SC(=NC12CC2c3ccccc3)SCc4ccccc4"	0	""	""	2	1	"399304"	NA
"710002"	710002	"[3-methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate"	"Cc1cc(OC(=O)Nc2ccc(Cl)cc2)ccc1C(=S)Nc3ccccc3"	0	""	""	1	1	"5471249"	NA
"710003"	710003	"[4-[(4-bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate"	"Clc1ccc(NC(=O)Oc2ccc(cc2)C(=S)Nc3ccc(Br)cc3)cc1"	0	""	""	1	1	"5471250"	NA
"710005"	710005	"[4-[(4-bromophenyl)carbamothioyl]phenyl] N-methylcarbamate"	"CNC(=O)Oc1ccc(cc1)C(=S)Nc2ccc(Br)cc2"	0	""	""	1	1	"5471252"	NA
"710006"	710006	"[5-methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate"	"CC(C)c1cc(C(=S)Nc2ccccc2)c(C)cc1OC(=O)Nc3cccc4ccccc34"	0	""	""	1	1	"5471253"	NA
"710007"	710007	"[2-bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate"	"CN(C)C(=O)Oc1ccc(cc1Br)C(=S)Nc2ccccc2"	0	""	""	1	1	"5471254"	NA
"710008"	710008	"[4-(butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate"	"CCCCNC(=S)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1"	0	""	""	1	1	"5471255"	NA
"710013"	710013	"ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate"	"CCOC(=O)NC(=S)c1ccc(O)c2ccccc12"	0	""	""	1	1	"135426705"	NA
"710018"	710018	"5-(diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide"	"CCN(CC)Cc1ccc(s1)C(=S)Nc2ccc(C)cc2"	0	""	""	1	1	"5471261"	NA
"710022"	710022	"N-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide"	"Clc1ccc(NC(=S)c2ccc(CN3CCCCC3)s2)cc1"	0	""	""	1	1	"5471265"	NA
"710071"	710071	"2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A"	"COc1ccc(CS[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1"	0	""	""	1	1	"10917077"	NA
"710080"	710080	"2,4-dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide"	"Clc1ccc(cc1)S(=O)(=O)c2ccsc2NC(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	1	"399372"	NA
"710091"	710091	"digitonin"	"CC1CC[C@@]2(OC1)O[C@H]3[C@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10OC%11OC(CO)C(O)C(O)C%11O)C(O)C7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C"	0	""	""	1	1	"399374"	"11024241"
"710099"	710099	"[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol"	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CCC(CCc4ccccc4)C3)n1"	0	""	""	2	2	"399379"	NA
"710100"	710100	"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCC(CCc3ccccc3)C2)n1"	0	""	""	2	2	"399380"	NA
"710101"	710101	"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyl-cyclopentyl]methanol"	"Nc1nc(Cl)cc(NCC2(CO)CCC(Cc3ccccc3)C2)n1"	0	""	""	2	2	"399382"	NA
"710103"	710103	"(3Z)-5-Chloro-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one"	"Sc1nnc(c2ccncc2)n1\N=C\3/C(=O)N(CN4CCCCC4)c5ccc(Cl)cc35"	0	""	""	1	1	"9572273"	NA
"710107"	710107	"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(morpholin-4-ylmethyl)indol-2-one"	"Cc1ccc(cc1)c2cc(nc(\N=C\3/C(=O)N(CN4CCOCC4)c5ccc(Cl)cc35)n2)c6ccc(Cl)cc6"	0	""	""	1	1	"9572277"	NA
"710109"	710109	"3-[(Z)-[5-Chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one"	"CSC1=Nc2ccccc2C(=O)N1\N=C\3/C(=O)N(CN4CCCCC4)c5ccc(Cl)cc35"	0	""	""	1	1	"9572278"	NA
"710110"	710110	"3-[(Z)-[5-Chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one"	"CSC1=Nc2ccccc2C(=O)N1\N=C\3/C(=O)N(CN4CCOCC4)c5ccc(Cl)cc35"	0	""	""	1	1	"9572279"	NA
"710111"	710111	"7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxoindol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CN4C(=O)\C(=N/c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)\c7cc(Cl)ccc47)CC3"	0	""	""	1	1	"9572280"	NA
"710112"	710112	"7-[4-[[5-Chloro-2-hydroxy-3-(pyridine-4-carbonyldiazenyl)indol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CN4C(=O)\C(=N/NC(=O)c5ccncc5)\c6cc(Cl)ccc46)CC3"	0	""	""	1	1	"399393"	NA
"710113"	710113	"Dimethyl 3-(4-chlorophenyl)-9-methyl-carbazole-1,2-dicarboxylate"	"COC(=O)c1c(cc2c3ccccc3n(C)c2c1C(=O)OC)c4ccc(Cl)cc4"	0	""	""	1	1	"399394"	NA
"710116"	710116	"3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one"	"O=C1N2CCCNC2c3cccc4cccc1c34"	0	""	""	1	1	"6712761"	NA
"710117"	710117	"3-Benzhydryloxy-1,2-benzoxazole"	"O(C(c1ccccc1)c2ccccc2)c3noc4ccccc34"	0	""	""	1	1	"399396"	NA
"710118"	710118	"5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol"	"OC1(N2CCN=C2c3ccccc13)C4(CCCC4)c5ccc(Cl)cc5"	0	""	""	1	1	"399397"	NA
"710121"	710121	"2-[[3-(4-chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol"	"CC1(N=C(NCCO)c2ccccc12)c3ccc(Cl)cc3"	0	""	""	2	2	"135426706"	NA
"710181"	710181	"2-acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one"	"COc1cc(\C=N\N2C(=O)N(N=C2c3ccccc3)C(=O)C)cc(OC)c1OC"	0	""	""	2	2	"9572282"	NA
"710184"	710184	"2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene"	"Cc1c2cccc2ccc3c4ccccc4[nH]c13"	0	""	""	2	1	"399411"	NA
"710185"	710185	"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl acetate"	"CC(=O)OCCOc1cc2c3ccccc3[nH]c2c(C)c4cccc14"	0	""	""	2	1	"399412"	NA
"710196"	710196	"2,6-diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	"Cc1cc(ccc1NC(=O)C(N)CCCCN)c2nc3ccc(F)cc3s2"	0	""	""	4	4	"399419"	NA
"710203"	710203	"obtusol"	"C[C@]1(Br)CC[C@]2(C[C@@H]1Cl)C(=C)C[C@@H](O)[C@@H](Br)C2(C)C"	0	""	""	2	2	"399421"	"73494221"
"710204"	710204	"Naviculyl Caffeate"	"C[C@@H]1CC[C@@]2(C)[C@H](C)\C(=C/COC(=O)\C=C\c3ccc(O)c(O)c3)\CC[C@@]12C"	0	""	""	1	1	"5471279"	NA
"710207"	710207	"1-decarboxy-3-oxo-ceanothic acid"	"CC(=C)[C@@H]1CCC2(CCC3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)C5CC[C@@]34C)C12)C(=O)O"	0	""	""	1	1	"399425"	NA
"710264"	710264	"HX-0835"	"COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(OC)c1"	0	""	""	2	2	"5471280"	NA
"710265"	710265	"2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone"	"COc1ccc(C(=O)\C=C\c2cc(O)c(O)cc2F)c(OC)c1"	0	""	""	2	2	"5471281"	NA
"710266"	710266	"(E)-1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one"	"COc1ccc(OC)c(c1)C(=O)\C=C\c2cc(O)c(O)cc2F"	0	""	""	2	2	"5471282"	NA
"710267"	710267	"(E)-1-(2,4-dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2F)c(OC)c1"	0	""	""	2	2	"5471283"	NA
"710268"	710268	"(E)-3-(2,3-difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2cc(O)c(O)c(F)c2F)c(OC)c1"	0	""	""	1	1	"5471284"	NA
"710270"	710270	"Karenitecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	"Clinical trial"	2	2	"148202"	NA
"710271"	710271	"4-[5-[4-[5-(4-Pyridyl)-2-furyl]phenyl]-2-furyl]pyridine"	"o1c(ccc1c2ccc(cc2)c3oc(cc3)c4ccncc4)c5ccncc5"	0	""	""	1	1	"399432"	NA
"710272"	710272	"4,4'-[Oxybis(4,1-phenylene)]dipyridine"	"O(c1ccc(cc1)c2ccncc2)c3ccc(cc3)c4ccncc4"	0	""	""	2	2	"399433"	NA
"710280"	710280	"N-[(Z)-1-(1-adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride"	"Brc1ccc(N\C(=C/C=N/c2ccc(Br)cc2)\C34CC5CC(CC(C5)C3)C4)cc1"	0	""	""	2	2	"5471287"	NA
"710281"	710281	"ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride"	"CCOC(=O)c1ccc(N\C(=C/C=N/c2ccc(cc2)C(=O)OCC)\C34CC5CC(CC(C5)C3)C4)cc1"	0	""	""	1	1	"5471289"	NA
"710282"	710282	"N-[(1Z)-1,2-dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline"	"Cc1cc(C)n(CC(=C(\C(=C(\Cl)/Nc2ccc(cc2)[N+](=O)[O-])\Cl)[N+](=O)[O-])Cn3nc(C)cc3C)n1"	0	""	""	2	1	"5471291"	NA
"710287"	710287	"[4,7-dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methyl acetate"	"COc1cc(c(OC)c2nc(COC(=O)C)[nH]c12)c3nc4ccc(nc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	"6712765"	NA
"710295"	710295	"Bradykinin Antagonist"	"NC(=N)NCCC[C@@H](NC(=N)CCCCCCC(=N)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)NC(C3Cc4ccccc4C3)C(=O)NC(CO)C(=O)N[C@H](C5Cc6ccccc6C5)C(=O)N7C8CCCCC8CC7C(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N9CCCC9C(=O)N%10C[C@H](O)C[C@H]%10C(=O)NCC(=O)NC(C%11Cc%12ccccc%12C%11)C(=O)NC(CO)C(=O)N[C@H](C%13Cc%14ccccc%14C%13)C(=O)N%15C%16CCCCC%16CC%15C(=O)NC(CCCNC(=N)N)C(=O)O"	0	""	""	1	1	"16134278"	NA
"710297"	710297	"PX-316"	"CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@H]1O)OC"	0	"PK:STK"	"Clinical trial"	1	1	"399457"	"213388411"
"710305"	710305	"hexanamide, 2,6-diamino-n-[2-methyl-4-(5-fluoro-2-benzo ..."	"Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"399464"	NA
"710320"	710320	"N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide"	"Cc1nn2c(C(=O)N\N=C\c3ccccc3O)c(C)nc2s1"	0	""	""	1	1	"135436146"	NA
"710326"	710326	"3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one"	"CN\C(=N/N=C/1\C(=O)Nc2ccccc12)\SCC(=O)c3ccc(Br)cc3"	0	""	""	2	2	"399475"	NA
"710328"	710328	"3-(4-Chlorophenyl)-6-(1-methylindol-3-yl)-2H-1,2,4-triazin-5-one"	"Cn1cc(C2=NNC(=NC2=O)c3ccc(Cl)cc3)c4ccccc14"	0	""	""	2	2	"135426708"	NA
"710333"	710333	"(E)-but-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine"	"NC1CCN(CC1)c2nc3ccccc3c4CCCCc24"	0	""	""	2	1	"5471308"	NA
"710334"	710334	"[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)-4-piperidyl]methanamine"	"NCC1CCN(CC1)c2nc3ccccc3c4CCCCc24"	0	""	""	2	1	"399484"	NA
"710336"	710336	"dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=N/n1cc(C(=O)OC)c(C(=O)OC)c1c2ccc(C)cc2)\c3ccc(C)cc3)\C(=O)OC"	0	""	""	2	2	"9572290"	NA
"710340"	710340	"Artelastin"	"CC(=CCc1c(O)c(CC=C(C)C)c2OC3=C(C(Oc4cc(O)ccc34)C=C(C)C)C(=O)c2c1O)C"	0	""	""	2	1	"399488"	"182052057"
"710341"	710341	"Artelastochromene"	"CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3C(=O)C4=C(Oc13)c5ccc(O)cc5OC4C=C(C)C)C"	0	""	""	2	1	"5471310"	"182052091"
"710342"	710342	"Artelasticin"	"CC(=CCC1=C(Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3O)C"	0	""	""	2	1	"5471311"	"182052137"
"710343"	710343	"Artocarpesin"	"CC(=CCc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3O)C"	0	""	""	2	1	"399491"	"3162092"
"710351"	710351	"Achilleol A"	"CC(=CCC\C(=C\CC\C(=C\CC\C=C(/C)\CC[C@@H]1C(=C)CC[C@H](O)C1(C)C)\C)\C)C"	0	""	""	1	1	"5471312"	NA
"710352"	710352	"Bryodulcosigenin"	"C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	1	1	"399493"	NA
"710353"	710353	"cabenoside d"	"C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](OC5OC(CO)C(O)C(O)C5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	1	1	"399494"	NA
"710359"	710359	"N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide"	"N\C(=N/NC(=O)c1nc2ccccc2s1)\c3ccccn3"	0	""	""	2	2	"9572291"	NA
"710362"	710362	"[3,5-Diacetoxy-2-(acetoxymethyl)-6-[(2-thioxo-1-pyridyl)oxy]tetrahydropyran-4-yl] acetate"	"CC(=O)OCC1OC(ON2C=CC=CC2=S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	"399501"	NA
"710365"	710365	"2-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione"	"CC(=O)C([C@@H]1OC(C)(C)O[C@@H]1[C@H]2COC(C)(C)O2)C(=O)c3ccc(C)cc3"	0	""	""	2	2	"399504"	NA
"710373"	710373	"1-N,4-N-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine"	"Cc1sc(Nc2ccc(Nc3nc(c(C)s3)c4ccccc4)cc2)nc1c5ccccc5"	0	""	""	1	1	"399510"	NA
"710374"	710374	"2-[(E)-benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one"	"Cc1c(NC2(C)C(=O)N(\N=C\c3ccccc3)N=C2c4ccccc4)[nH]nc1c5ccccc5"	0	""	""	2	2	"9572292"	NA
"710386"	710386	"methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)N=O)[C@](O)([C@@H]2O)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)OC"	0	""	""	1	1	"399523"	NA
"710387"	710387	"Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	"CCOC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OCC)C(=O)OCC)C(=O)SS3)C(=O)OCC"	0	""	""	2	2	"399524"	NA
"710390"	710390	"Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate"	"COC(=O)C1=CSC2(S1)C3=C(SC=C2C(=O)OC)C(=O)SS3"	0	""	""	2	2	"399526"	NA
"710391"	710391	"2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione"	"O=C(C1=C(C(=O)c2ccccc2)C(=O)C3=C(S1)C(=O)C(=C(S3)C(=O)c4ccccc4)C(=O)c5ccccc5)c6ccccc6"	0	""	""	1	1	"399527"	NA
"710392"	710392	"4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one"	"O=C(C1=C(SC2(S1)C3=C(SC(=C2C(=O)c4ccccc4)C(=O)c5ccccc5)C(=O)SS3)C(=O)c6ccccc6)c7ccccc7"	0	""	""	1	1	"399528"	NA
"710393"	710393	"Dimethyl(4z,6z)-4,6-bis[(4-methoxyphenyl)imino]thieno[4,5-c]thiophene-2,3-dicarboxylate"	"COC(=O)c1sc2\C(=N\c3ccc(OC)cc3)\S\C(=N/c4ccc(OC)cc4)\c2c1C(=O)OC"	0	""	""	2	1	"399529"	NA
"710396"	710396	"3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol"	"Cc1ccc2C(=C3C(Nc4ccccc34)Oc2c1)O"	0	""	""	1	1	"399532"	NA
"710402"	710402	"2-(2-Pyridylsulfanyl)-6-(trifluoromethyl)quinoxaline"	"FC(F)(F)c1ccc2nc(Sc3ccccn3)cnc2c1"	0	""	""	1	1	"399538"	NA
"710403"	710403	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3ccccc3n4cccc24)cc1)C(=O)OCC"	0	""	""	1	1	"399539"	NA
"710404"	710404	"4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline"	"COc1cc(OCc2nc3ccccc3n4cccc24)cc(OC)c1OC"	0	""	""	2	2	"399540"	NA
"710405"	710405	"Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)c5ccccc15)C(=O)OCC"	0	""	""	1	1	"399541"	NA
"710406"	710406	"Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)c4ccccc14)C(=O)OCC"	0	""	""	1	1	"399542"	NA
"710412"	710412	"1-(2,4-dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCNC(=O)c1nn(c2ccc(Cl)cc2Cl)c3c1Cc4ccccc34)CCNC(=O)c5nn(c6ccc(Cl)cc6Cl)c7c5Cc8ccccc78"	0	""	""	2	2	"399548"	NA
"710413"	710413	"1-methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCCNC(=O)c1nn(C)c2c1Cc3ccccc23)CCCNC(=O)c4nn(C)c5c4Cc6ccccc56"	0	""	""	2	2	"399549"	NA
"710415"	710415	"1-(2,4-dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCCNC(=O)c1nn(c2ccc(Cl)cc2Cl)c3c1Cc4ccccc34)CCCNC(=O)c5nn(c6ccc(Cl)cc6Cl)c7c5Cc8ccccc78"	0	""	""	2	1	"399551"	NA
"710416"	710416	"[8-methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3ccsc23"	0	""	""	2	1	"399552"	NA
"710439"	710439	"2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide"	"COc1ccc(cc1)c2nc(SCC(=O)N\N=C\c3ccc(O)c(OC)c3)[nH]c2c4ccc(OC)cc4"	0	""	""	1	1	"135436149"	NA
"710441"	710441	"2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide"	"COc1ccc(cc1)c2nc(SCC(=O)N\N=C\c3ccc(cc3)[N+](=O)[O-])[nH]c2c4ccc(OC)cc4"	0	""	""	2	2	"9572297"	NA
"710442"	710442	"N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide"	"COc1ccc(cc1)c2nc(SCC(=O)NNC(=S)Nc3ccccc3)[nH]c2c4ccc(OC)cc4"	0	""	""	1	1	"5471321"	NA
"710444"	710444	"Diethyl (2E,4E,6E)-4,5-dibromoocta-2,4,6-trienedioate"	"CCOC(=O)\C=C\C(=C(/Br)\C=C\C(=O)OCC)\Br"	0	""	""	2	2	"5471322"	NA
"710446"	710446	"2-(1-Acetyl-5-chloro-1h-pyrazol-3-yl)-3-chloroquinoxaline"	"CC(=O)n1nc(cc1Cl)c2nc3ccccc3nc2Cl"	0	""	""	2	2	"399572"	NA
"710447"	710447	"8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene"	"CN1COCc2c1ccc3cc4ccc5N(COCc5c4nc23)S(=O)(=O)C"	0	""	""	1	1	"399573"	NA
"710448"	710448	"[(1R,4R,5R,6R)-5,6-bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol"	"SC[C@]12O[C@H](C=C1)[C@H]([C@@H]2S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"399574"	NA
"710456"	710456	"2-[(4r)-5,5-Dimethyl-4-phenyl-2-thioxo-1,3-dioxa-2$l5-phosphacyclohex-2-yl]pyridine"	"CC1(C)COP(=S)(O[C@@H]1c2ccccc2)c3ccccn3"	0	""	""	1	1	"399579"	NA
"710464"	710464	"AFP464"	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3"	0	"Db|DDI"	"Clinical trial"	2	2	"399587"	"468719531"
"710485"	710485	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate"	"COC(=O)C(CCSC)NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	"6712769"	NA
"710486"	710486	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate"	"COC(=O)C(Cc1ccccc1)NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2c4ccccc4"	0	""	""	1	1	"6712770"	NA
"710510"	710510	"4-benzylthio-1-{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triaz..."	"OCCOCn1nncc1Cn2ncc3c(SCc4ccccc4)ncnc23"	0	""	""	1	1	"399613"	NA
"710525"	710525	"RSC002586"	"COc1ccc(cc1)C(=O)c2sc(Nc3ccccc3)nc2N"	0	""	""	2	2	"399616"	NA
"710526"	710526	"AM-807/14146364"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(Cl)cc3)cc1"	0	""	""	2	2	"399617"	NA
"710527"	710527	"AM-807/12426021"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(OC)cc3)cc1"	0	""	""	2	2	"399618"	NA
"710528"	710528	"3-[4-Amino-2-[(4-methoxyphenyl)amino]thiazole-5-carbonyl]chromen-2-one"	"COc1ccc(Nc2nc(N)c(s2)C(=O)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	1	1	"399619"	NA
"710529"	710529	"4-aminothiazole, 2.3"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c3ccc(Cl)cc3"	0	""	""	2	2	"399620"	NA
"710530"	710530	"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N"	0	""	""	2	2	"399621"	NA
"710532"	710532	"3-[4-Amino-2-[(4-chlorophenyl)amino]thiazole-5-carbonyl]chromen-2-one"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)C3=Cc4ccccc4OC3=O"	0	""	""	1	1	"399623"	NA
"710534"	710534	"(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2sc(nc2c3ccccc3)N(C)C"	0	""	""	1	1	"399625"	NA
"710546"	710546	"10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccccc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	3	2	"399629"	NA
"710547"	710547	"2h,6h-pyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine- 5,7-..."	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc5c(c(nn5CCN(C)C)c2c1)c34"	0	""	""	2	2	"399630"	NA
"710548"	710548	"10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	2	2	"399631"	NA
"710549"	710549	"10,16-Bis[2-(dimethylamino)ethyl]-5-nitro-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45)[N+](=O)[O-]"	0	""	""	2	2	"399632"	NA
"710550"	710550	"5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(N)cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	2	2	"399633"	NA
"710551"	710551	"6h-pyrazolo[3,4,5-kl]acridine-5-carboxamide, n,n'-[methy..."	"CN(C)CCn1nc2c3ccccc3Nc4c(ccc1c24)C(=O)NCCCN(C)CCCNC(=O)c5ccc6c7c5Nc8ccccc8c7nn6CCN(C)C"	0	""	""	2	2	"135426709"	NA
"710552"	710552	"14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide"	"COc1ccc2Nc3c(ccc4c3c(nn4CCN(C)C)c2c1)C(=O)NCCCN(C)CCCNC(=O)c5ccc6c7c5Nc8ccc(OC)cc8c7nn6CCN(C)C"	0	""	""	2	2	"135426710"	NA
"710553"	710553	"1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide"	"COc1ccc2Nc3c(Cc2c1)c(NCCN(C)C)ccc3C(=O)NCCCN(C)CCCNC(=O)c4ccc(NCCN(C)C)c5Cc6cc(OC)ccc6Nc45"	0	""	""	2	2	"399636"	NA
"710554"	710554	"N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide"	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3Nc4ccccc4C(=O)c23)c5C(=O)c6ccccc6Nc15"	0	""	""	2	2	"399637"	NA
"710555"	710555	"SC-41842"	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3Nc4ccc(cc4C(=O)c23)[N+](=O)[O-])c5C(=O)c6cc(ccc6Nc15)[N+](=O)[O-]"	0	""	""	2	2	"11980935"	NA
"710556"	710556	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccccc8C(=O)c5c67)ccc(C1=O)c24"	0	""	""	2	2	"399638"	NA
"710557"	710557	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(OC)cc8C(=O)c5c67)c(C(=O)c2c1)c34"	0	""	""	2	2	"399639"	NA
"710558"	710558	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCN1C(=O)N2c3ccc(cc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(cc8C(=O)c5c67)[N+](=O)[O-])ccc(C1=O)c24)[N+](=O)[O-]"	0	""	""	2	1	"399640"	NA
"710559"	710559	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(O)cc8C(=O)c5c67)ccc(C1=O)c24"	0	""	""	2	1	"399641"	NA
"710560"	710560	"4-acridinecarboxamide, 9,10-dihydro-n-[2-(dimethylamino)..."	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3C(=O)N(CCN(C)C)C(=O)N4c5ccccc5C(=O)c2c34)c6C(=O)c7ccccc7Nc16"	0	""	""	2	2	"399642"	NA
"710572"	710572	"7-(3-bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C4SC(=NN4C3=O)c5cccc(Br)c5"	0	""	""	1	1	"135436150"	NA
"710575"	710575	"4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide"	"NN1C(=NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O)Nc4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	"135436151"	NA
"710578"	710578	"4-[[4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide"	"Cc1cnoc1NS(=O)(=O)c2ccc(NC3=NN=C(\C=C\c4c(O)ccc5ccccc45)C(=O)N3N)cc2"	0	""	""	1	1	"135436154"	NA
"710579"	710579	"2-(2-hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C(S)N(N4C(SCC4=O)c5c(O)ccc6ccccc56)C3=O"	0	""	""	1	1	"135436155"	NA
"710580"	710580	"2-[[3-(carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid"	"OC(=O)CNN1C(=NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O)SCC(=O)O"	0	""	""	1	1	"135436156"	NA
"710582"	710582	"4-[(E)-1H-indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"O=C1C=NNC(=S)N1\N=C\c2c[nH]c3ccccc23"	0	""	""	1	1	"135436157"	NA
"710584"	710584	"7-sulfanylidene-6H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"O=C1C=NN=C2SC(=S)NN12"	0	""	""	1	1	"5471339"	NA
"710585"	710585	"4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC3=NN=CC(=O)N3N)cc2)n1"	0	""	""	1	1	"399667"	NA
"710587"	710587	"4-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"Clc1ccc(\C=C/2\N=C(N(N3C(=S)NN=CC3=O)C2=O)c4ccccc4)cc1"	0	""	""	1	1	"5471340"	NA
"710590"	710590	"4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"NN1C(=S)NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O"	0	""	""	1	1	"135436158"	NA
"710592"	710592	"3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C4SC(=NN4C3=O)c5cccc(c5)[N+](=O)[O-]"	0	""	""	1	1	"135415166"	NA
"710598"	710598	"(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one"	"CCC\N=C\1/S\C(=C\c2ccc(OC)c(OC)c2)\C(=O)N1c3ccccc3"	0	""	""	1	1	"5471348"	NA
"710607"	710607	"N,N-dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	"CC1CNC(=N1)c2cccc(c2)c3nc(nc(n3)c4cccc(c4)C5=NC(C)CN5)N(C)C"	0	""	""	2	2	"399691"	NA
"710608"	710608	"N,N-dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	"CC1CNC(=N1)c2ccc(cc2)c3nc(nc(n3)c4ccc(cc4)C5=NC(C)CN5)N(C)C"	0	""	""	2	2	"399693"	NA
"710614"	710614	"2,5-Dimethyl-3,4-dibromothiophene 1-oxide"	"CC1=C(Br)C(=C(C)S1=O)Br"	0	""	""	1	1	"399696"	NA
"710616"	710616	"n-bromoacetyltryptamine"	"BrCC(=O)NCCc1c[nH]c2ccccc12"	0	""	""	2	2	"399698"	NA
"710716"	710716	"[3,4,5-triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(O\C=C(/CN=[N+]=[N-])\C(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	"5471355"	NA
"710746"	710746	"1-Hydroxy-2-methoxyanthracene-4-propanoic acid"	"COc1cc(CCC(=O)O)c2cc3ccccc3cc2c1O"	0	""	""	1	1	"399715"	NA
"710765"	710765	"3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole"	"Cc1nnc2sc(nn12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"399719"	NA
"710768"	710768	"(5r)-3-(2,4-Dichloro-5-fluoro-phenyl)-5-[5-(4-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)[C@H]3CC(=NN3)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	"399722"	NA
"710770"	710770	"(5r)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole"	"[O-][N+](=O)c1cccc(c1)c2oc(cc2)[C@H]3CC(=NN3)c4ccc(Cl)cc4"	0	""	""	1	1	"399724"	NA
"710779"	710779	"(7Z)-6-(4-methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(C)nnc3S/C/2=C\c4oc(cc4)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"5471358"	NA
"710780"	710780	"(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1nnc2S\C(=C/c3oc(cc3)c4ccc(Cl)cc4)\C(=Nn12)c5ccccc5"	0	""	""	1	1	"5471359"	NA
"710835"	710835	"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate"	"CC(C)CNP(=O)(NCC(C)C)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)OCc3ccccc3)cc1"	0	""	""	1	1	"399740"	NA
"710848"	710848	"Ethyl 3-[[1-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate"	"CCOC(=O)Cn1nnc2cc(Nc3nc4ccccc4nc3C(=O)OCC)ccc12"	0	""	""	1	1	"399754"	NA
"710852"	710852	"Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate"	"CCOC(=O)Cn1nnc2ccc(Nc3nc4ccccc4nc3c5ccccc5)cc12"	0	""	""	1	1	"399758"	NA
"710857"	710857	"ethyl 3-(2,2-diethoxyethyl)amino-2-(1h-benzimidazol-2-yl..."	"CCOC(CN\C=C(/C(=O)OCC)\c1nc2ccccc2[nH]1)OCC"	0	""	""	1	1	"5471362"	NA
"710859"	710859	"ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1h- benzim..."	"CCOC(=O)\C(=C/NC(C)(C)CO)\c1nc2ccccc2[nH]1"	0	""	""	1	1	"5471364"	NA
"710860"	710860	"ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1h-benzimidazo..."	"CCOC(=O)\C(=C/NCC(O)c1ccccc1)\c2nc3ccccc3[nH]2"	0	""	""	1	1	"5471365"	NA
"710861"	710861	"(2r) ethyl 3-(2-hydroxypropyl)amino-2-(1h-benzimidazol-2..."	"CCOC(=O)\C(=C/NC[C@@H](C)O)\c1nc2ccccc2[nH]1"	0	""	""	1	1	"5471366"	NA
"710862"	710862	"Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate"	"CCOC(=O)\C(=C/NC#N)\c1nc2ccccc2[nH]1"	0	""	""	1	1	"5471367"	NA
"710863"	710863	"ethyl 3-(1,1-diemthylethyl)amino-2-(1h-benzimidazol-2-yl..."	"CCOC(=O)\C(=C/NC(C)(C)C)\c1nc2ccccc2[nH]1"	0	""	""	1	1	"5471368"	NA
"710865"	710865	"ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acry..."	"CCOC(=O)\C(=C/NC(C)(C)C)\c1oc2ccccc2n1"	0	""	""	1	1	"5471370"	NA
"710868"	710868	"3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione"	"C=CCN1CN(CSC1=S)C2CCCCC2"	0	""	""	2	2	"399773"	NA
"710869"	710869	"F0547-0312"	"CC(C)(C)N1CSC(=S)N(Cc2occc2)C1"	0	""	""	1	1	"399774"	NA
"710870"	710870	"3-(4-Bromophenyl)-5-(2-furylmethyl)-1,3,5-thiadiazinane-2-thione"	"Brc1ccc(cc1)N2CN(Cc3occc3)CSC2=S"	0	""	""	1	1	"399775"	NA
"710872"	710872	"diethyl 2-(5-cyanospiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate"	"CCOC(=O)C(=C1NC2(C(S1)C#N)c3ccccc3Nc4ccccc24)C(=O)OCC"	0	""	""	1	1	"399777"	NA
"710881"	710881	"1-Bromo-6-chloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"ClC1CC(=O)c2csc(Br)c12"	0	""	""	1	1	"399786"	NA
"710895"	710895	"3-[(1h-indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2h-..."	"CC(C)Oc1cccc(c1)N2C(=Nc3ccncc3S2(=O)=O)NCCc4c[nH]c5ccccc45"	0	""	""	1	1	"135426715"	NA
"710897"	710897	"2-(3-isoapropoxyphenyl)-3-phenylamino-2h-pyrido[4,3-e]-1..."	"CC(C)Oc1cccc(c1)N2C(=Nc3ccncc3S2(=O)=O)Nc4ccccc4"	0	""	""	1	1	"399798"	NA
"710898"	710898	"3-[(1-methoxyphen-4-ylmethyl)amino]-2-phenyl-2h-pyrido[4..."	"COc1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2c4ccccc4)cc1"	0	""	""	1	1	"135426716"	NA
"710902"	710902	"n-[1,1-dioxo-2-(3-isopropoxyphenyl)-2h-pyrido[4,3-e]-1,2..."	"COC(=O)C(Cc1c[nH]c2ccccc12)NC3=Nc4ccncc4S(=O)(=O)N3c5cccc(OC(C)C)c5"	0	""	""	1	1	"135426717"	NA
"710903"	710903	"n-(1,1-dioxo-2-phenyl-2h-pyrido[4,3-e]-1,2,4-thiadiazin-..."	"COC(=O)C(Cc1c[nH]c2ccccc12)NC3=Nc4ccncc4S(=O)(=O)N3c5ccccc5"	0	""	""	1	1	"135426718"	NA
"710904"	710904	"1-N,4-N-bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\C=C\c3oc(cc3)[N+](=O)[O-])cc1"	0	""	""	2	2	"9572304"	NA
"710905"	710905	"1-N,4-N-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide"	"[O-][N+](=O)c1oc(\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\c3oc(cc3)[N+](=O)[O-])cc1"	0	""	""	1	1	"9572305"	NA
"710906"	710906	"4,6-dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1oc(\C=C\C=N\Nc2c(cc3NC(=O)Nc3c2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	1	1	"11979479"	NA
"710907"	710907	"4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1c(Nc2c3ccccc3nc4ccccc24)c5NC(=O)Nc5c(c1Nc6c7ccccc7nc8ccccc68)[N+](=O)[O-]"	0	""	""	2	1	"11979480"	NA
"710909"	710909	"methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)n3nnc4ccccc34"	0	""	""	1	1	"399811"	NA
"710914"	710914	"methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N3CCOCC3"	0	""	""	1	1	"399816"	NA
"710916"	710916	"STL257912"	"[O-][N+](=O)c1oc(\C=N\Nc2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	"9572306"	NA
"710917"	710917	"N,N'-bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide"	"[O-][N+](=O)c1oc(\C=C\C=N/NC(=O)C(=O)N\N=C/C=C/c2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	"9572307"	NA
"710959"	710959	"(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane"	"[O-][N+](=O)c1ccc(SN=S=NSc2cccc(SN=S=NSc3ccc(cc3)[N+](=O)[O-])c2)cc1"	0	""	""	1	1	"399824"	NA
"710962"	710962	"5-Bromo-3-[(4-chlorophenyl)-imidazol-1-yl-methyl]-1-ethyl-indole"	"CCn1cc(C(c2ccc(Cl)cc2)n3ccnc3)c4cc(Br)ccc14"	0	""	""	1	1	"399827"	NA
"710966"	710966	"Diethyl 2-[[3-(1h-indol-3-yl)-1h-indol-2-yl]methylene]propanedioate"	"CCOC(=O)C(=Cc1[nH]c2ccccc2c1c3c[nH]c4ccccc34)C(=O)OCC"	0	""	""	1	1	"399830"	NA
"710968"	710968	"2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole"	"COc1ccc(c(OC)c1)c2oc3cc(C)ccc3n2"	0	""	""	3	1	"399832"	NA
"710969"	710969	"carbonotrithioic acid, 2,3,5,6-tetrachloro-4-pyridinyl-,..."	"CC(C)SC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl"	0	""	""	2	1	"399833"	NA
"710971"	710971	"2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol"	"OC(c1ccc(F)cc1)C(F)(F)c2onc(n2)c3ccccc3"	0	""	""	1	1	"399835"	NA
"710972"	710972	"N-benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide"	"C[C@H](Sc1ccc(C)cc1)[C@@](O)(CF)CN(Cc2ccccc2)C(=O)C(F)(F)F"	0	""	""	1	1	"399836"	NA
"711012"	711012	"(1S,2S,13R,21R)-22-(cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride"	"Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8ccccc8c7C[C@@]36O"	0	""	""	1	1	"5471387"	NA
"711014"	711014	"(1S,2S,14R,22R)-23-(cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride"	"Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7nc8ccccc8cc7C[C@@]36O"	0	""	""	1	1	"5471391"	NA
"711018"	711018	"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride"	"Oc1cccc(c1)c2ccc3C[C@H]4N(CC5CC5)CC[C@@]67[C@@H](Oc2c36)C(=O)CC[C@@]47O"	0	""	""	2	1	"5471398"	NA
"711020"	711020	"(1S,2S,13R,21R)-16,22-dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride"	"CN1CC[C@]23[C@H]4Oc5c(C)ccc(C[C@@H]1[C@]2(O)Cc6c4[nH]c7ccccc67)c35"	0	""	""	1	1	"5471402"	NA
"711021"	711021	"[2-Methyl-1-(2-morpholinoethyl)indol-3-yl]-(6-methyl-1-naphthyl)methanone hydrochloride"	"Cc1ccc2c(cccc2c1)C(=O)c3c(C)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	"399882"	NA
"711023"	711023	"(6-Methoxy-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone"	"COc1ccc2c(cccc2c1)C(=O)c3c(C)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	"399885"	NA
"711024"	711024	"(6-Hydroxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone"	"Oc1ccc2c(cccc2c1)C(=O)c3cn(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	"399886"	NA
"711026"	711026	"1-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone"	"CC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8ccccc8c7C[C@@]36O"	0	""	""	1	1	"5471404"	NA
"711041"	711041	"(12bR)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one"	"COc1ccc2CC3NCC[C@]45C(Oc1c24)C(=O)C=CC35O"	0	""	""	2	2	"399905"	NA
"711062"	711062	"(3E)-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nc2SCCn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	"5471407"	NA
"711064"	711064	"(3E)-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)nc4SCCn34)\c2c1"	0	""	""	1	1	"5471409"	NA
"711066"	711066	"(3E)-5-methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(nc4SCCn34)c5ccccc5)\c2c1"	0	""	""	1	1	"5471411"	NA
"711070"	711070	"(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1cccc2NC(=O)\C(=C\c3c(Cl)nc4sccn34)\c12"	0	""	""	1	1	"5471415"	NA
"711074"	711074	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccccc34)c(C)nc2s1"	0	""	""	1	1	"5471419"	NA
"711076"	711076	"(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)nc4sc(C)cn34)\c2c1"	0	""	""	1	1	"5471421"	NA
"711077"	711077	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(C)nc4sc(C)cn34)\c2c1"	0	""	""	3	2	"5471422"	NA
"711079"	711079	"(3E)-4-chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)nc2s1"	0	""	""	1	1	"5471424"	NA
"711082"	711082	"(3E)-5-chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1ccc2NC(=O)\C(=C\c3c(Cl)nc4sccn34)\c2c1"	0	""	""	1	1	"5471427"	NA
"711083"	711083	"5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc2Sc3nc4ccccc4n3C(O)c2c(n1)N5CCOCC5"	0	""	""	1	1	"399931"	NA
"711087"	711087	"5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc(NC(C)C)c2C(O)n3c(Sc2n1)nc4ccccc34"	0	""	""	1	1	"399935"	NA
"711088"	711088	"7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"COc1nc(SC)nc2Sc3nc4ccccc4n3C(O)c12"	0	""	""	1	1	"399936"	NA
"711089"	711089	"5-methylsulfanyl-N-propan-2-yl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine"	"CSc1nc(NC(C)C)c2C=Nn3c(Sc2n1)nc4ccccc34"	0	""	""	1	1	"399937"	NA
"711090"	711090	"N-cyclopropyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine"	"CSc1nc(NC2CC2)c3C=Nn4c(Sc3n1)nc5ccccc45"	0	""	""	1	1	"399938"	NA
"711092"	711092	"10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol"	"CSc1nc(Cl)c2C(O)n3ncnc3Sc2n1"	0	""	""	1	1	"399940"	NA
"711095"	711095	"Ethyl 9-(3-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CC(=O)Nc1c23)c4cccc(F)c4"	0	""	""	1	1	"399943"	NA
"711099"	711099	"Ethyl 5-amino-4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc(OC)c(OC)c3)c2c1N"	0	""	""	1	1	"399947"	NA
"711100"	711100	"Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)CC(=O)Nc1c(sc2nc(SC)nc(Nc3ccc(OC)c(OC)c3)c12)C(=O)OCC"	0	""	""	1	1	"399948"	NA
"711102"	711102	"Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc5OCOc5c4"	0	""	""	1	1	"399950"	NA
"711103"	711103	"ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc5OCCCOc5c4"	0	""	""	1	1	"399951"	NA
"711104"	711104	"Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc(F)c(F)c4"	0	""	""	2	2	"399952"	NA
"711105"	711105	"Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCOc4c3)c2c1N"	0	""	""	1	1	"399953"	NA
"711106"	711106	"Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCCOc4c3)c2c1N"	0	""	""	1	1	"399954"	NA
"711107"	711107	"Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCCCOc4c3)c2c1N"	0	""	""	1	1	"399955"	NA
"711113"	711113	"3,3-Bis[4-(4-aminoiphenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5C6CC7CC(C6C4)C3C5C7)c8ccc(Oc9ccc(N)cc9)cc8)cc1"	0	""	""	2	2	"399961"	NA
"711114"	711114	"3,3-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5C6CC7CC(C6C4)C3C5C7)c8ccc(Oc9ccc(N)c(O)c9)cc8)cc1O"	0	""	""	2	1	"399962"	NA
"711117"	711117	"2,2-Bis(4-aminophenyl)adamantane"	"Nc1ccc(cc1)C2(C3CC4CC(CC2C4)C3)c5ccc(N)cc5"	0	""	""	1	1	"399965"	NA
"711118"	711118	"2,2-Bis[4-(4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5CC(CC3C5)C4)c6ccc(Oc7ccc(N)cc7)cc6)cc1"	0	""	""	2	2	"399966"	NA
"711119"	711119	"1,3-Bis(4-aminophenyl)adamantane"	"Nc1ccc(cc1)C23CC4CC(CC(C4)(C2)c5ccc(N)cc5)C3"	0	""	""	1	1	"399967"	NA
"711122"	711122	"2-aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-p..."	"Oc1ccc(Cl)cc1c2cc(nc(NCN3CCCCC3)n2)c4ccccc4"	0	""	""	1	1	"399970"	NA
"711142"	711142	"3-(2-chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide"	"CC1=NN(C(C1C(=O)Nc2ccccc2)c3ccccc3Cl)C(=O)c4ccccc4O"	0	""	""	2	2	"399990"	NA
"711172"	711172	"[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methyl-pyrrol-2-yl]methanol"	"Cn1c(CO)ccc1c2ccc([se]2)c3ccc(CO)[se]3"	0	""	""	2	2	"399993"	NA
"711173"	711173	"[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol"	"Cn1c(CO)ccc1c2ccc([se]2)c3ccc[se]3"	0	""	""	2	2	"399994"	NA
"711175"	711175	"2-[[(1S,5R)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol"	"C[C@@H]1CCC2C(=C)C(OCCO)OC3O[C@]4(C)CCC1C23OO4"	0	""	""	1	1	"45027785"	NA
"711176"	711176	"cyclodeca[b]furan-2(3h)-one, 3a,4,5,8,9,11a-hexahydro-3a..."	"C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@]2(O)CC1)\C"	0	""	""	2	2	"5471440"	NA
"711187"	711187	"3-(3,4-dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea"	"COc1ccc(cc1)N(C2N(C(=O)n3cccc23)c4ccc(Cl)c(Cl)c4)C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	"400005"	NA
"711189"	711189	"ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate"	"CCOC(=O)\C(=C\1/C2=C(NC(=S)NC2=O)Oc3ccc4ccccc4c13)\C#N"	0	""	""	1	1	"5471441"	NA
"711193"	711193	"2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)C(=O)O"	0	""	""	4	2	"400010"	"218600443"
"711198"	711198	"J-100034"	"Oc1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4s3"	0	""	""	1	1	"135426721"	NA
"711215"	711215	"N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline"	"Clc1ccc(\N=C\2/Oc3ccccc3C=C2c4nc5ccccc5[nH]4)c(Cl)c1"	0	""	""	1	1	"400029"	NA
"711219"	711219	"3-{[(2z)-3-(1h-Benzimidazol-2-yl)-6-bromo-2h-chromen-2-ylidene]amino}benzamide"	"NC(=O)c1cccc(c1)\N=C\2/Oc3ccc(Br)cc3C=C2c4nc5ccccc5[nH]4"	0	""	""	1	1	"400033"	NA
"711223"	711223	"STL503934"	"CCOC(=O)c1ccc(cc1)\N=C\2/Oc3ccc(OC)cc3C=C2c4nc5ccccc5[nH]4"	0	""	""	1	1	"400037"	NA
"711312"	711312	"4-methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine"	"COc1nncc2[nH]c(cc12)c3ccccc3"	0	""	""	1	1	"5471457"	NA
"711426"	711426	""	"CC(=O)NC1(Cc2ccc3ccccc3c2c4c(C1)ccc5ccccc45)C(=O)N[C@@H](Cc6ccccc6)C(=O)NC7CCCCC7"	0	NA	NA	1	1	"531283"	NA
"711427"	711427	""	"CC(=O)NC1(Cc2ccc3ccccc3c2c4c(C1)ccc5ccccc45)C(=O)N[C@@H](Cc6ccccc6)C(=O)NC7CCCCC7"	0	NA	NA	1	1	"531284"	NA
"711510"	711510	"1'-acetoxychavicol acetate"	"CC(=O)OC(C=C)c1ccc(OC(=O)C)cc1"	0	""	""	2	1	"400072"	NA
"711581"	711581	"6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1CCCN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	"400089"	NA
"711582"	711582	"6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1CC(C)CN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	"400090"	NA
"711583"	711583	"6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1C(C)CCN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	"400091"	NA
"711589"	711589	"HLKANFKOOWUNDF-UHFFFAOYSA-N"	"CC1(CC(=C(C#N)C(=C(C#N)C#N)N1)c2cccs2)c3cccs3"	0	""	""	1	1	"400097"	NA
"711606"	711606	"1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane"	"COc1ccc(SC2(CC2)C(=C)C)cc1"	0	""	""	1	1	"400116"	NA
"711610"	711610	"(3E)-3-[(2-chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)n(c4ccccc4)c5ccccc35)\c2c1"	0	""	""	1	1	"5471470"	NA
"711611"	711611	"(3E)-3-[(2-chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C/c3c(Cl)n(c4ccccc4)c5ccccc35)\C(=O)Nc2cc1C"	0	""	""	1	1	"5471471"	NA
"711613"	711613	"3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one"	"COc1ccc2[nH]c(Cl)c(\C=C/3\C(=O)Nc4cc(C)c(OC)cc34)c2c1"	0	""	""	1	1	"5471473"	NA
"711615"	711615	"(3E)-3-[(2-chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one"	"COc1ccc2[nH]c(Cl)c(\C=C/3\C(=O)N(c4ccccc4)c5ccccc35)c2c1"	0	""	""	1	1	"5471475"	NA
"711616"	711616	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	"5471476"	NA
"711617"	711617	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4cc(C)c(OC)cc34)\c2c1"	0	""	""	2	2	"5471477"	NA
"711618"	711618	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C/c3c(Cl)[nH]c4cc(C)c(OC)cc34)\C(=O)Nc2cc1C"	0	""	""	2	1	"5471478"	NA
"711619"	711619	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(C)c4ccccc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	"5471479"	NA
"711620"	711620	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(c4ccccc4)c5ccccc35)c(Cl)[nH]c2cc1C"	0	""	""	2	1	"5471480"	NA
"711628"	711628	"(1R,5S,7R)-5-methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one"	"CO[C@]12S[C@@H]3CCCC[C@]13C(C)(C)C(=O)N2c4ccccc4"	0	""	""	1	1	"5471482"	NA
"711632"	711632	"2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	"NC1=C(C#N)C(=CC(c2ccc(F)cc2)C1(C#N)C#N)C3CC3"	0	""	""	1	1	"400138"	NA
"711636"	711636	"5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydro-1h-indazol-4-yl thiocyanate"	"Cc1nn(c2CCC(=C(SC#N)c12)C=O)c3ccccn3"	0	""	""	1	1	"400142"	NA
"711639"	711639	"(1R,2R,4S)-1,3,3-trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol"	"C[C@@]12CC[C@@H](C1)C(C)(C)[C@@]2(S)Cc3ccccn3"	0	""	""	1	1	"400145"	NA
"711646"	711646	"2-[(3-Formylindol-1-yl)methoxy]ethyl acetate"	"CC(=O)OCCOCn1cc(C=O)c2ccccc12"	0	""	""	1	1	"400151"	NA
"711649"	711649	"1-(4-methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione"	"Cc1ccc(cc1)N2C(=S)N(\N=C\3/C(=O)Nc4ccccc34)C(=O)C2=O"	0	""	""	1	1	"135436174"	NA
"711659"	711659	"1-[3-(diethylamino)propylamino]-4-methyl-5h-pyridazino[4..."	"CCN(CC)CCCNc1nnc(C)c2[nH]c3ccccc3c12"	0	""	""	1	1	"5471483"	NA
"711661"	711661	"[2,6-bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene"	"COc1ccc(\C=C(\c2ccccc2)/c3c(C)cc(C)c(\C(=C/c4ccc(OC)cc4)\c5ccccc5)c3N=Nc6cc(C)cc(C)c6)cc1"	0	""	""	2	2	"5471486"	NA
"711663"	711663	"N-(1-adamantyl)-6-chloropurine-9-carboxamide"	"Clc1ncnc2c1ncn2C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	"400163"	NA
"711669"	711669	"l-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluo..."	"CC(N)C(=O)Nc1ccc(cc1C)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"400165"	NA
"711670"	711670	"2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole"	"Cc1cc(ccc1N)c2nc3cccc(F)c3s2"	0	""	""	2	2	"400167"	NA
"711671"	711671	"2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole"	"Cc1cc(ccc1N)c2nc3cc(F)c(F)cc3s2"	0	""	""	2	2	"400168"	NA
"711692"	711692	"2,2,2-trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone"	"FC(F)(F)C(=O)c1cc2C(=NC3(CCCCC3)Nc2c4ccccc14)C(F)(F)F"	0	""	""	1	1	"135426727"	NA
"711693"	711693	"1h-benz[e]indole-3-carboxylic acid, 7-[[5-[7-(acetylamin..."	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	"400180"	NA
"711694"	711694	"Tert-butyl 7-[[6-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	"400181"	NA
"711695"	711695	"Tert-butyl 7-[[7-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	"400182"	NA
"711696"	711696	"Tert-butyl 7-[[8-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-8-oxooctanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	"400183"	NA
"711720"	711720	"(3E,6E)-3-benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"O=C1N\C(=C\c2ccc(OCc3ccccc3)cn2)\C(=O)N/C/1=C/c4ccccc4"	0	""	""	2	2	"5471488"	NA
"711721"	711721	"(3E,6E)-3-[(4-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Oc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	"5471489"	NA
"711723"	711723	"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-"	"COc1cc(Nc2nc3ccccc3n4cccc24)cc(OC)c1OC"	0	""	""	1	1	"400205"	NA
"711724"	711724	"N-(3,4-dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	"COc1ccc(Nc2nc3ccccc3n4cccc24)cc1OC"	0	""	""	1	1	"400206"	NA
"711725"	711725	"Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate"	"CCOC(=O)c1ccc(Nc2nc3ccccc3n4cccc24)cc1"	0	""	""	1	1	"400207"	NA
"711727"	711727	"7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	"COc1cc(Nc2nc3cc(ccc3n4cccc24)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	"400209"	NA
"711731"	711731	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3n4cccc24)cc1)C(=O)OCC"	0	""	""	1	1	"400213"	NA
"711733"	711733	"(2R,6R)-9,11-dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=O)N[C@@H]3c12"	0	""	""	2	2	"400215"	NA
"711737"	711737	"7h-thieno[3',4':3,4]cyclopent[1,2-d]oxazole-2,7(1h)-dion..."	"Clc1sc(Cl)c2C(=O)[C@@H]3NC(=O)O[C@@H]3c12"	0	""	""	2	2	"400219"	NA
"711739"	711739	"1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one"	"OC1CC(=O)c2c(Br)sc(Br)c12"	0	""	""	1	1	"400221"	NA
"711740"	711740	"1,3-Dibromo-4h-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)C=Cc12"	0	""	""	1	1	"400222"	NA
"711741"	711741	"di-(1,3-dibromo-4-oxo-5,6-dihydro-4h-cyclopenta[c]thien-..."	"Brc1sc(Br)c2C(=O)CC(NC3CC(=O)c4c(Br)sc(Br)c34)c12"	0	""	""	2	2	"400223"	NA
"711742"	711742	"(5E)-1,3-dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)\C(=C\c3cccnc3)\C(c12)n4cccc4"	0	""	""	2	2	"5471491"	NA
"711743"	711743	"(5E)-1,3-dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)\C(=C\c3ccncc3)\C(c12)n4cccc4"	0	""	""	1	1	"5471492"	NA
"711744"	711744	"5-Bromo-1,3-dichloro-4h-cyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)C(=Cc12)Br"	0	""	""	2	2	"400226"	NA
"711745"	711745	"6-Bromo-1,3-dichloro-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(Br)c12"	0	""	""	1	1	"400227"	NA
"711783"	711783	"6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid"	"OC(=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"400255"	NA
"711784"	711784	"Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate"	"COC(=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"400256"	NA
"711790"	711790	"(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane"	"CC(C)C(C(C)(C)Cl)S(=O)(=Nc1ccccc1)c2ccc(C)cc2"	0	""	""	1	1	"400257"	NA
"711796"	711796	"3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one"	"O=C(CC1=Nc2ccccc2NC1=O)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	"5471500"	NA
"711797"	711797	"3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one"	"O=C(CC1=Nc2ncccc2NC1=O)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	"5471501"	NA
"711805"	711805	"Maybridge3_003220"	"O=C1Nc2ccccc2N=C1c3c[nH]c4ccccc34"	0	""	""	1	1	"400272"	NA
"711806"	711806	"3-[2-(1h-Indol-3-yl)-2-oxoethyl]quinoxalin-2(1h)-one"	"O=C(CC1=Nc2ccccc2NC1=O)c3c[nH]c4ccccc34"	0	""	""	1	1	"400273"	NA
"711821"	711821	"1-(5-nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine"	"[O-][N+](=O)c1ccc2sc(\C=N\c3cnccn3)cc2c1"	0	""	""	1	1	"400287"	NA
"711826"	711826	"(5Z)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1ccc(OC)c2sc(nc12)N3C(=O)\C(=C\c4ccc(O)c(OC)c4)\N=C3c5ccccc5"	0	""	""	1	1	"5471513"	NA
"711830"	711830	"(5Z)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"COc1ccc(OC)c2sc(nc12)N3C(=O)\C(=C\c4ccc(cc4)N(C)C)\N=C3c5ccccc5"	0	""	""	1	1	"1273997"	NA
"711844"	711844	"(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	"5471530"	NA
"711846"	711846	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)ccc1O"	0	""	""	1	1	"5471532"	NA
"711848"	711848	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one"	"Clc1cc(Cl)c2nc(sc2c1)N3C(=O)\C(=C\Cc4occc4)\N=C3c5ccccc5"	0	""	""	1	1	"5471534"	NA
"711850"	711850	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	"5471536"	NA
"711852"	711852	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one"	"Sc1ccccc1\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5"	0	""	""	1	1	"5471538"	NA
"711855"	711855	"(5Z)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	"5471541"	NA
"711856"	711856	"(5Z)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)ccc1O"	0	""	""	1	1	"5471542"	NA
"711860"	711860	"(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	"5471546"	NA
"711866"	711866	"(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c6ccccc6)ccc1O"	0	""	""	1	1	"5471552"	NA
"711867"	711867	"(5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one"	"[O-][N+](=O)c1cccc(\C=C\2/N=C(N(C2=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c6ccccc6)c1"	0	""	""	1	1	"5471553"	NA
"711880"	711880	"(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3ccc4Nc5ccc(cc5Sc4c3)N6C(=O)\C(=C\c7ccc(cc7)N(C)C)\N=C6c8ccccc8)c9ccccc9)cc1"	0	""	""	1	1	"5471566"	NA
"711885"	711885	"(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5cc(OC)c(OC)c(OC)c5)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc(OC)c1OC"	0	""	""	1	1	"5471570"	NA
"711887"	711887	"(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1cccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5cccc(c5)[N+](=O)[O-])\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)c1"	0	""	""	1	1	"5471572"	NA
"711889"	711889	"(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one"	"CSc1ccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5ccc(SC)cc5)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc1"	0	""	""	1	1	"5471574"	NA
"711890"	711890	"(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5ccc(cc5)N(C)C)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc1"	0	""	""	1	1	"5471575"	NA
"711891"	711891	"(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"O=C(c1ccccc1)c2ccc(N3C(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\N=C3c6ccccc6)c(c2)N7C(=O)\C(=C\c8cccc(Oc9ccccc9)c8)\N=C7c%10ccccc%10"	0	""	""	1	1	"16129940"	NA
"711898"	711898	"(5Z)-3-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one"	"Cc1ccc2nc(Cl)c(\C=N\N3C(=O)\C(=C\Cc4occc4)\N=C3c5ccccc5)cc2c1"	0	""	""	3	1	"9572330"	NA
"711902"	711902	"(5Z)-3-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one"	"Cc1ccc2nc(Cl)c(\C=N\N3C(=O)\C(=C\c4ccccc4S)\N=C3c5ccccc5)cc2c1"	0	""	""	1	1	"9572334"	NA
"711946"	711946	"N-[3-[6-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	"400400"	NA
"711947"	711947	"N-[3-[7-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	"400401"	NA
"711948"	711948	"acetamide, n,n'-[1,8-dioxo-1,8-octanediyldi[1-(chloromet..."	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	"400402"	NA
"711960"	711960	"2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide"	"Cc1c2cccc2c(OCCO)cc3c4ccccc4n(C)c13"	0	""	""	1	1	"400404"	NA
"711987"	711987	"5-methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride"	"CC1CNC(=N1)c2cccc(OCc3ccc(COc4cccc(c4)C5=NC(C)CN5)cc3)c2"	0	""	""	1	1	"400409"	NA
"711991"	711991	"2,6-dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol"	"Oc1c(Br)cc(\C=C\c2cccc(\C=C\c3cc(Br)c(O)c(Br)c3)n2)cc1Br"	0	""	""	1	1	"135436183"	NA
"711993"	711993	"4-[(E)-2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol"	"Oc1ccc(\C=C\c2cccc(\C=C\c3ccc(O)c(O)c3)n2)cc1O"	0	""	""	1	1	"135436185"	NA
"711994"	711994	"7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-"	"Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O"	0	""	""	1	1	"135436186"	NA
"712000"	712000	"5-(1H-indol-3-yl)-3-methoxypyrazin-2-amine"	"COc1nc(cnc1N)c2c[nH]c3ccccc23"	0	""	""	1	1	"400421"	NA
"712001"	712001	"3-Bromo-5-{1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl}pyrazin-2-amine"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3cnc(N)c(Br)n3)c4ccccc24"	0	""	""	2	2	"400422"	NA
"712006"	712006	"3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole"	"COc1cc(nc(n1)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4)c5cn(c6ccccc56)S(=O)(=O)c7ccc(C)cc7"	0	""	""	2	2	"400427"	NA
"712009"	712009	"3-[2-(1H-indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole"	"Cc1cnc(nc1c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	""	""	1	1	"400430"	NA
"712011"	712011	"3-[2-(1H-indol-3-yl)pyrimidin-4-yl]-1H-indole"	"c1ccc2c(c[nH]c2c1)c3ccnc(n3)c4c[nH]c5ccccc45"	0	""	""	1	1	"400432"	NA
"712183"	712183	"Euplexide D"	"CC(C)CC(=O)C\C(=C\CC\C(=C\Cc1cc(O)c(C)cc1OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2O)\C)\C"	0	""	""	1	1	"5471619"	NA
"712184"	712184	"Bromodeoxytopsentin"	"Brc1ccc2c(c[nH]c2c1)c3cnc([nH]3)C(=O)c4c[nH]c5ccccc45"	0	""	""	1	1	"400452"	NA
"712196"	712196	"3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"[O-][N+](=O)c1ccc(cc1)C2Nn3c(S2)nnc3c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	"400459"	NA
"712199"	712199	"Didemnin B aminomethylene"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)CC2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)C4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	"400460"	NA
"712201"	712201	"10-Amino-7-trimethylsilylethylcamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5cc(N)ccc5nc34)C2=O"	0	""	""	2	1	"400461"	NA
"712202"	712202	"N-[4-[15-(4-acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride"	"CC(=O)Nc1ccc(cc1)c2c3C=Cc([nH]3)c(c4cc5ccccc5[n+](C)c4)c6ccc(n6)c(c7ccc(NC(=O)C)cc7)c8ccc([nH]8)c(c9cc%10ccccc%10[n+](C)c9)c%11ccc2n%11"	0	""	""	1	1	"16129941"	NA
"712237"	712237	"[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(=C(C#N)C2=S)c3ccc(C)cc3)N"	0	""	""	1	1	"5471623"	NA
"712243"	712243	"[3,4,5-triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(\C=C/2\C(=Nc3ccccc3N(C4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)C2=O)N)cc1"	0	""	""	1	1	"5471626"	NA
"712244"	712244	"[3,4,5-triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=C/c3ccc(Cl)cc3)\C(=Nc4ccccc24)N"	0	""	""	1	1	"5471627"	NA
"712304"	712304	"N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide"	"COc1c(Br)cc(C\C(=N\O)\C(=O)NCC=C)c(O)c1Br"	0	""	""	1	1	"9572344"	NA
"712393"	712393	"2-(Chloromethyl)-4,5-bis(pyrimidin-2-ylsulfanyl)pyridazin-3(2h)-one"	"ClCN1N=CC(=C(Sc2ncccn2)C1=O)Sc3ncccn3"	0	""	""	2	2	"400496"	NA
"712396"	712396	"Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-"	"C(CP(c1ccccn1)c2ccccn2)P(c3ccccc3)c4ccccc4"	0	""	""	3	3	"400499"	NA
"712399"	712399	"Ambewelamide A"	"CCCC(=O)O[C@H]1C=C2C[C@@]34SSC5(CC6=C[C@H](OC(=O)C)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]8O[C@@H]18"	0	""	""	2	2	"400501"	"220345711"
"712400"	712400	"Sodagnitin A"	"CC1(C)OC(=CC1=O)C(=C)[C@@H]2CC=C([C@H](O)O2)[C@@H]3CC[C@H]4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)[C@H](O)C[C@]45C"	0	""	""	2	2	"400502"	NA
"712401"	712401	"Sodagnitin C"	"CC(O)(CC(=O)O)CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](CC[C@H]23)C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(C)(C)O5)C(C)(C)C1=O"	0	""	""	1	1	"400503"	NA
"712408"	712408	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC)cc3"	0	""	""	1	1	"54681580"	NA
"712409"	712409	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3cccc(OC)c3"	0	""	""	1	1	"54681581"	NA
"712410"	712410	"tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"54681582"	NA
"712411"	712411	"tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"400513"	NA
"712423"	712423	"(2E)-2-[(4-chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile"	"CC1=C(C#N)c2nc3ccccc3n2C(=O)/C/1=C/Nc4ccc(Cl)cc4"	0	""	""	1	1	"5456998"	NA
"712430"	712430	"2-[4-[(2Z)-2-(2-oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(N\N=C/2\CCOC2=O)cc1"	0	""	""	1	1	"9572347"	NA
"712571"	712571	"artesunate"	"CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C23OO4"	0	""	"FDA approved"	1	1	"105031"	NA
"712572"	712572	"1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone"	"CNC(C)C(O)c1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1"	0	""	""	1	1	"400530"	NA
"712578"	712578	"Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate"	"COC(=O)C1=C(SC2(S1)C3=C(CCCC3)SC(=C2C(=O)OC)C(=O)OC)C(=O)OC"	0	""	""	1	1	"400533"	NA
"712583"	712583	"(S,S)-(+)-Bis(2-chloropropyl)sulfide"	"C[C@H](Cl)CSC[C@H](C)Cl"	0	""	""	1	1	"400538"	NA
"712671"	712671	"4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione"	"Nc1ccc(cc1)C2=CSSC2=S"	0	""	""	1	1	"400550"	NA
"712675"	712675	"Diethyl bis[2-(9-benzyl-9h-purin-6-yl)ethyl]propanedioate"	"CCOC(=O)C(CCc1ncnc2c1ncn2Cc3ccccc3)(CCc4ncnc5c4ncn5Cc6ccccc6)C(=O)OCC"	0	""	""	1	1	"400554"	NA
"712682"	712682	"2,6-Dimethoxy-3-{[1-(methylsulfanyl)-1-pyridin-2-ylethyl]sulfanyl}pyridine"	"COc1ccc(SC(C)(SC)c2ccccn2)c(OC)n1"	0	""	""	1	1	"400560"	NA
"712693"	712693	"2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester"	"CC(C)(C)OC(=O)CN1C(CC(=O)c2ccccc2)CC1=O"	0	""	""	1	1	"400570"	NA
"712697"	712697	"benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate"	"Cc1ccc(S[C@](NC(=O)OCc2ccccc2)([C@@H](O)CC=C)C(F)(F)F)cc1"	0	""	""	1	1	"400574"	NA
"712700"	712700	"Benzotriazole, 1-(p-methoxyphenylethynyl)"	"COc1ccc(cc1)C#Cn2nnc3ccccc23"	0	""	""	1	1	"400577"	NA
"712703"	712703	"1,10-Dimethoxybenzo[c][1,2]benzodithiine"	"COc1cccc2SSc3cccc(OC)c3c12"	0	""	""	1	1	"400580"	NA
"712708"	712708	"N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline"	"COc1cc(NC(C)c2ccc3OCCOc3c2)cc(OC)c1OC"	0	""	""	1	1	"400585"	NA
"712720"	712720	"methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate"	"CC[C@@]12C=CCN3CCC4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)N=Nc6ccc(cc6)[N+](=O)[O-])[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	""	""	1	1	"400598"	NA
"712724"	712724	"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5c4cc(Br)c(OC)c5[N+](=O)[O-])[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	""	""	1	1	"400602"	NA
"712733"	712733	"dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-diphenylethenyl]pyrazole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=C(\c1ccccc1)/n2cc(C(=O)OC)c(n2)C(=O)OC)\c3ccccc3)\C(=O)OC"	0	""	""	1	1	"5471657"	NA
"712734"	712734	"methyl 1-[(Z)-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-1,2-diphenylethenyl]pyrazole-3-carboxylate"	"COC(=O)\C=C/S\C(=C(\c1ccccc1)/n2ccc(n2)C(=O)OC)\c3ccccc3"	0	""	""	1	1	"5471658"	NA
"712735"	712735	"dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-bis(4-methoxyphenyl)ethenyl]pyrazole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=C(\c1ccc(OC)cc1)/n2cc(C(=O)OC)c(n2)C(=O)OC)\c3ccc(OC)cc3)\C(=O)OC"	0	""	""	1	1	"5471659"	NA
"712737"	712737	"2,7a-Diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile"	"N#CC1CCN2N=C(SC12c3ccccc3)c4ccccc4"	0	""	""	1	1	"400615"	NA
"712738"	712738	"1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2ncn(C[Si](C)(C)C)c2c3ccc(OC)cc3"	0	""	""	1	1	"400616"	NA
"712740"	712740	"1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2N=C3CSC(N3Cc2c1)c4ccccc4Cl"	0	""	""	1	1	"400618"	NA
"712741"	712741	"1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2CN3C(SCC3=Nc2c1)c4ccccc4Cl"	0	""	""	1	1	"400619"	NA
"712742"	712742	"1-(3-Bromophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2N=C3CSC(N3Cc2c1)c4cccc(Br)c4"	0	""	""	1	1	"400620"	NA
"712747"	712747	"1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2CN3C(SCC3=Nc2c1)c4c(Cl)cccc4[N+](=O)[O-]"	0	""	""	1	1	"400625"	NA
"712821"	712821	"10-(diiodomethylene)-9(10)-phenanthrenone"	"IC(=C1C(=O)c2ccccc2c3ccccc13)I"	0	""	""	2	2	"400634"	NA
"712822"	712822	"2,3,6,7-tetramethoxy-12,12a-dihydro-9h,11h-9a-aza-cyclop..."	"COc1cc2c3CN4C(CCC4=O)C(=O)c3c5cc(OC)c(OC)cc5c2cc1OC"	0	""	""	1	1	"400635"	NA
"712914"	712914	"1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one"	"Oc1ccc(O)c2c1C(=O)c3ccccc3C2(O)CC=C"	0	""	""	2	1	"400653"	NA
"713018"	713018	"8-chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	"Cc1ccc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)cc1"	0	""	""	1	1	"400656"	NA
"713019"	713019	"8-chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	"Cc1cc2c(Sc3nnc(Nc4ccccc4)n3S2(=O)=O)cc1Cl"	0	""	""	1	1	"400657"	NA
"713023"	713023	"[(Z)-N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide"	"CN(C)c1cc[n+](cc1)\C(=N/S(=O)(=O)c2ccc(Cl)cc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	"9572352"	NA
"713026"	713026	"[(Z)-N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide"	"CC[N+](CC)(CC)\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\NS(=O)(=O)c2cc(C)c(Cl)cc2S"	0	""	""	1	1	"9572355"	NA
"713039"	713039	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/C3COc4ccccc4C3=O)\C#N)C(C)(C)C1"	0	""	""	1	1	"5471681"	NA
"713048"	713048	"2-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide"	"CC1=NN(c2nc(N)nc(n2)c3ccccc3S(=O)(=O)N)C(C)(C)C1"	0	""	""	1	1	"400693"	NA
"713053"	713053	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3csc(c3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	1	1	"5471684"	NA
"713064"	713064	"methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate"	"COC(=O)\C(=N\N=C(/S)\SC)\C"	0	""	""	1	1	"9572357"	NA
"713070"	713070	"STK520746"	"COc1ccc(C=C2C(=O)NC(=S)NC2=O)c3ccccc13"	0	""	""	1	1	"885874"	NA
"713075"	713075	"(3r,6'rs)-3-hydroxy-.beta.,.epsilon.-caroten-3-one"	"C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C)\C=C\C=C(/C)\C=C\C2C(=CC(=O)CC2(C)C)C"	0	""	""	1	1	"5471692"	NA
"713079"	713079	"Ir(dpm)PQ2"	"N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5cc6ccc7ccccc7c6cc5Oc2c34)C(=O)O"	0	""	""	1	1	"400715"	NA
"713082"	713082	"18-[(3R)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid"	"N[C@@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5ccc6c(ccc7ccccc67)c5Oc2c34)C(=O)O"	0	""	""	1	1	"400718"	NA
"713155"	713155	"crambescidin 800 trihydrochloride"	"[Cl-].[Cl-].CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	"400719"	NA
"713156"	713156	"Triacetyl crambescidin 800 hydrochloride"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	"400721"	NA
"713159"	713159	""	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	"400727"	NA
"713160"	713160	"triacetyl 13,14,15-isocrambescidin 800 hydrochloride"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	1	1	"11970117"	NA
"713162"	713162	"2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol"	"COc1ccc2[nH]c3c(O)c(c(C)cc3c2c1)c4c(C)cc5c6cc(OC)ccc6[nH]c5c4O"	0	""	""	1	1	"6712792"	NA
"713165"	713165	"5,6,7,8-tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine"	"ClC1=C(Cl)C(=C(Cl)C2OC3C=CCC3OC12)Cl"	0	""	""	1	1	"400732"	NA
"713188"	713188	"[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide"	"OCc1ccc2\C(=N/C#N)\c3ccccc3\C(=N\C#N)\c2c1"	0	""	""	1	1	"400757"	NA
"713192"	713192	"2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile"	"N#CC(=C1C(=Cc2ccc(OCCCCCCCCCCSSCCCCCCCCCCOc3ccc(C=C4C(=C(C#N)C#N)c5ccccc5C4=C(C#N)C#N)cc3)cc2)C(=C(C#N)C#N)c6ccccc16)C#N"	0	""	""	1	1	"400761"	NA
"713193"	713193	"2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile"	"CSCCCCCCCCCCOc1ccc(C=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1"	0	""	""	1	1	"400762"	NA
"713196"	713196	"2-[5-[5-(4,9-dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione"	"O=C1C2NC(=NC2C(=O)c3ccccc13)CCCCCSSCCCCCC4=NC5C(N4)C(=O)c6ccccc6C5=O"	0	""	""	1	1	"400765"	NA
"713197"	713197	"benzo[g]quinoxaline-2,3-dicarboxylic acid, 5,10-dihydro-..."	"CCOC(=O)c1nc2C(=O)c3ccccc3C(=O)c2nc1C(=O)OCC"	0	""	""	2	2	"400766"	NA
"713198"	713198	"benzo[g]quinoxaline-2-carboxaldehyde, 3,4,5,10-tetrahydr..."	"[O-][N+](=O)c1ccc(N\N=C\C2=NC3=C(NC2=O)C(=O)c4ccccc4C3=O)cc1"	0	""	""	2	2	"135436193"	NA
"713200"	713200	"Bardoxolone Methyl"	"COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2"	0	NA	NA	4	2	"532003"	"218600534"
"713201"	713201	"3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione"	"CCN1C2=NC(=O)N(CCCCCCCCSC(c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)C2=Nc6ccccc16"	0	""	""	1	1	"400770"	NA
"713210"	713210	"4-(1H-benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline"	"Brc1ccc(cc1)c2[nH]c3ccccc3c2\C=N\Nc4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	2	2	"135436194"	NA
"713211"	713211	"4-(1H-benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline"	"N(\N=C\c1c([nH]c2ccccc12)c3ccccc3)c4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	1	1	"135436195"	NA
"713215"	713215	"5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine"	"FC(F)(F)C(=O)c1cc2C(=NCCNc2c3ccccc13)C(F)(F)F"	0	""	""	1	1	"135426734"	NA
"713288"	713288	"6-[(4-Chlorophenoxy)methyl]-3-[2-[6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Clc1ccc(OCc2nn3c(CCc4nnc5sc(COc6ccc(Cl)cc6)nn45)nnc3s2)cc1"	0	""	""	1	1	"400782"	NA
"713290"	713290	"2-[(3-chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione"	"CC1=NN(CNc2ccc(F)c(Cl)c2)C(=S)N1\N=C\c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	"9572360"	NA
"713296"	713296	"4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione"	"CN1CCN(CN2N=C(N(\N=C\c3oc(cc3)c4ccc(Cl)cc4Cl)C2=S)c5ccccc5)CC1"	0	""	""	1	1	"9572366"	NA
"713298"	713298	"5-[(4-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione"	"CN1CCN(CN2N=C(COc3ccc(Cl)cc3)N(\N=C\c4oc(cc4)c5ccc(Cl)cc5Cl)C2=S)CC1"	0	""	""	1	1	"9572368"	NA
"713306"	713306	"(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(\C=C\2/Sc3nnc(C)n3N=C2c4cc(F)c(Cl)cc4Cl)cc1OC"	0	""	""	1	1	"5471715"	NA
"713309"	713309	"(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(\C=C\2/Sc3nnc(c4ccccc4)n3N=C2c5cc(F)c(Cl)cc5Cl)cc1OC"	0	""	""	1	1	"5471718"	NA
"713310"	713310	"(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Fc1cc(C2=Nn3c(COc4ccccc4Cl)nnc3S/C/2=C\c5ccc(Cl)cc5)c(Cl)cc1Cl"	0	""	""	1	1	"5471719"	NA
"713312"	713312	"(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1cc(OCc2nnc3S\C(=C/c4ccc(Cl)cc4)\C(=Nn23)c5cc(F)c(Cl)cc5Cl)ccc1Cl"	0	""	""	1	1	"5471721"	NA
"713320"	713320	"4-Chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline"	"COc1ccc(\C=C\2/Sc3nnc(CNc4ccc(Cl)cc4)n3N=C2c5cc(F)c(Cl)cc5Cl)cc1OC"	0	""	""	1	1	"5471729"	NA
"713324"	713324	"(4-chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone"	"COc1ccc(cc1)C2=NN(C(=O)c3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	"400818"	NA
"713326"	713326	"(4-chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone"	"COc1ccc(cc1OC)C2=NN(C(=O)c3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	"400820"	NA
"713334"	713334	"2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole"	"Clc1ccc(cc1)c2oc(cc2)c3oc(CCc4oc(nn4)c5oc(cc5)c6ccc(Cl)cc6)nn3"	0	""	""	2	2	"400828"	NA
"713368"	713368	"2-butyne, 1,4-bis(phenylsulfonyl)-"	"O=S(=O)(CC#CCS(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	2	2	"400843"	NA
"713546"	713546	"1-{[2-(4-Chlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccc(Cl)cc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	"400868"	NA
"713547"	713547	"1-{[2-(3,4-Dichlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccc(Cl)c(Cl)c3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	"400869"	NA
"713548"	713548	"1-{[5,6-Dichloro-2-(4-chlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC4CCCN5CCCCC45)cc1"	0	""	""	1	1	"400870"	NA
"713549"	713549	"1-{[5,6-Dichloro-2-(3,4-dichlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC4CCCN5CCCCC45)cc1Cl"	0	""	""	1	1	"400871"	NA
"713550"	713550	"1-{[2-Phenyl-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine hydrochloride"	"FC(F)(F)c1ccc2c(c1)nc(c3ccccc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	"400872"	NA
"713551"	713551	"1-[[2-(4-chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	"FC(F)(F)c1ccc2c(c1)nc(c3ccc(Cl)cc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	"400874"	NA
"713560"	713560	"6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline"	"CCCCC1Cc2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	"400885"	NA
"713561"	713561	"6-Butyl-12-methyl-5,6-dihydrobenzimidazo[2,1-a]isoquinolin-12-ium iodide"	"CCCCC1Cc2ccccc2c3[n+](C)c4ccccc4n13"	0	""	""	1	1	"400886"	NA
"713587"	713587	"1,3-dioxolo[4,5-c]pyrrole-5-carboxylic acid, tetrahydro-..."	"CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]2[C@H]3OC(C)(C)O[C@H]3CN2C(=O)OCC4c5ccccc5c6ccccc46)C(=O)OCC=C"	0	""	""	2	2	"400903"	NA
"713589"	713589	"4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione"	"CCN1C(=S)NN=C1c2cc3ccccc3cc2OC(=O)C"	0	""	""	1	1	"5471745"	NA
"713591"	713591	"tribenzyl (2S,6S,10S)-4,8,12-trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylate"	"O=C(OCc1ccccc1)[C@@H]2CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N2)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	2	1	"5471746"	NA
"713608"	713608	"4-methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline"	"Cc1ccc(NCc2nnc3c(nc4ccccc4n23)c5ccccc5)cc1"	0	""	""	1	1	"400924"	NA
"713616"	713616	"2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile"	"CC(O)(Cc1ccccc1C#N)Cc2ccccc2C#N"	0	""	""	1	1	"400932"	NA
"713636"	713636	"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate"	"CCOC(=O)Cn1nnc2cc(Nc3c(C)[n+]([O-])c4cc(F)c(OCC)cc4[n+]3[O-])ccc12"	0	""	""	1	1	"135426737"	NA
"713649"	713649	"(E,4Z)-N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine"	"CC1=NN(\C(=N\c2nc3ccccc3s2)\C\1=C/C=C/c4ccccc4)c5cccc(Cl)c5"	0	""	""	1	1	"9572374"	NA
"713651"	713651	"4-[(Z)-[(5E)-5-(1,3-benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol"	"CCOc1cc(\C=C\2/C(/N(N=C2C)c3cccc(Cl)c3)=N\c4nc5ccccc5s4)ccc1O"	0	""	""	1	1	"135436211"	NA
"713655"	713655	"(9Z)-4-(1,3-benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one"	"CC1=NN(c2cccc(Cl)c2)C3(SCC(=O)N3c4nc5ccccc5s4)/C/1=C\C=C\c6ccccc6"	0	""	""	1	1	"5471757"	NA
"713659"	713659	"(9Z)-4-(1,3-benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one"	"CC1=NN(c2cccc(Cl)c2)C3(SCC(=O)N3c4nc5ccccc5s4)/C/1=C\c6ccc(Cl)cc6"	0	""	""	1	1	"5471761"	NA
"713661"	713661	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"CC1=NN(c2cccc(Cl)c2)C3(C(Cl)C(=O)N3c4nc5ccccc5s4)/C/1=C\C=C\c6ccccc6"	0	""	""	2	1	"5471763"	NA
"713663"	713663	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"COc1cc(\C=C/2\C(=NN(c3cccc(Cl)c3)C24C(Cl)C(=O)N4c5nc6ccccc6s5)C)ccc1O"	0	""	""	1	1	"135436215"	NA
"713664"	713664	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"CN(C)c1ccc(\C=C/2\C(=NN(c3cccc(Cl)c3)C24C(Cl)C(=O)N4c5nc6ccccc6s5)C)cc1"	0	""	""	1	1	"5471766"	NA
"713672"	713672	"3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one"	"Oc1ccccc1C2SCC(=O)N2c3ccc4N=C5C(=C6Oc7cc(ccc7N=C6C(=C5Oc4c3)Cl)N8C(SCC8=O)c9ccccc9O)Cl"	0	""	""	1	1	"400979"	NA
"713673"	713673	"3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one"	"CCOc1cc(ccc1O)C2SCC(=O)N2c3ccc4N=C5C(=C6Oc7cc(ccc7N=C6C(=C5Oc4c3)Cl)N8C(SCC8=O)c9ccc(O)c(OCC)c9)Cl"	0	""	""	1	1	"400980"	NA
"713682"	713682	"(5Z)-3-(1,3-benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5"	0	""	""	1	1	"5471774"	NA
"713685"	713685	"AO-240/14587015"	"Clc1ccc(\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5)cc1"	0	""	""	1	1	"1815886"	NA
"713686"	713686	"(5Z)-5-benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\c6ccccc6)\N=C5c7ccccc7)C(=N/C/1=C\c8ccccc8)c9ccccc9"	0	""	""	1	1	"5471777"	NA
"713687"	713687	"(5Z)-3-[2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\C=C\c6ccccc6)\N=C5c7ccccc7)C(=N/C/1=C\C=C\c8ccccc8)c9ccccc9"	0	""	""	1	1	"5471778"	NA
"713688"	713688	"(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccccc7O)\N=C6c8ccccc8)C2=O)c9ccccc9"	0	""	""	1	1	"5471779"	NA
"713690"	713690	"(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccc(Cl)cc7)\N=C6c8ccccc8)C2=O)c9ccccc9)cc1"	0	""	""	1	1	"5471781"	NA
"713705"	713705	"(5Z)-3-(1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1ccccc1\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5"	0	""	""	1	1	"5471788"	NA
"713706"	713706	"(5Z)-3-(1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	"5471789"	NA
"713707"	713707	"(5Z)-3-(1,3-benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one"	"O=C1N(C(=N/C/1=C\c2cccs2)c3ccccc3)c4nc5ccccc5s4"	0	""	""	1	1	"5471790"	NA
"713709"	713709	"(5Z)-5-[(2-nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1ccccc1\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccccc7[N+](=O)[O-])\N=C6c8ccccc8)C2=O)c9ccccc9"	0	""	""	1	1	"5471792"	NA
"713711"	713711	"(5Z)-3-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\c6cccs6)\N=C5c7ccccc7)C(=N/C/1=C\c8cccs8)c9ccccc9"	0	""	""	1	1	"5471794"	NA
"713730"	713730	"2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate"	"Cc1c2C(=O)N(CCSC(=N)N)C(=O)c2c(C)n1c3ccccc3"	0	""	""	1	1	"401025"	NA
"713750"	713750	"4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione"	"Cc1c2C(=O)N(CCN3CCN(CC3)c4cccc(c4)C(F)(F)F)C(=O)c2c(C)n1c5ccccc5"	0	""	""	1	1	"401045"	NA
"713752"	713752	"2-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione"	"CCCCn1c(C)c2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1C"	0	""	""	1	1	"401047"	NA
"713759"	713759	"(3Z)-3-[hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one"	"Cc1cc(C)c2C(=C(N(CCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)c2n1)C(=O)c5ccccc5)O"	0	""	""	1	1	"5471800"	NA
"713760"	713760	"(3Z)-3-[hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one"	"COc1ccccc1N2CCN(CCCN3C(=C(O)c4c(C)cc(C)nc4S3(=O)=O)C(=O)c5ccccc5)CC2"	0	""	""	1	1	"5471801"	NA
"713761"	713761	"LS-91170"	"Cc1cc(C)c2C(=C(N(CCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)c2n1)C(=O)c5ccc(Cl)cc5)O"	0	""	""	1	1	"5471802"	NA
"713763"	713763	"Rebimastat"	"CNC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C"	0	"PSM"	"Clinical trial"	1	1	"401057"	NA
"713771"	713771	"brefeldin a,2,3-dihydro-(2r)-(3'-aminophenylsulfinyl)-"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)S(=O)c3cccc(N)c3"	0	""	""	2	2	"24202618"	"376648134"
"713791"	713791	"14-hydroxyhypocretenolide-.beta.-d-glucoside-4',14\"-hydr..."	"CC1=CC(=O)C2C(CO)CC[C@H](C[C@]12O)C(=C)C(=O)OC3C(O)C(O)C(OCC4CC[C@@H]5C[C@@]6(OC(=O)C5=C)C4C(=O)C=C6C)OC3CO"	0	""	""	2	2	"401063"	NA
"713799"	713799	"(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-10-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one"	"COC[C@@H](C[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(/C)\C=C(/C)\C=C(/C)\C(=O)O2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]4C[C@](C)(O)[C@@H](O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5)C(C)O4"	0	""	""	2	2	"5471806"	NA
"713829"	713829	"(3S,10R,13S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"COc1ccc(\C=C\2/CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	"5471809"	NA
"713831"	713831	"(3S,10R,13S,16E,17E)-16-[(3,4-dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"COc1ccc(\C=C/2\C(\[C@@]3(C(C2)C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC3)C)=N/O)cc1OC"	0	""	""	1	1	"9572381"	NA
"713910"	713910	"2-(3,3a,4,8b-tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CN3CC4Nc5ccccc5C4C3)Sc2n1"	0	""	""	1	1	"401087"	NA
"713911"	713911	"2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CC(O)CN3CCN(CCOCCO)CC3)Sc2n1"	0	""	""	1	1	"401088"	NA
"713915"	713915	"2-[2-Hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CC(O)CN3CCN(CC3)c4ncccn4)Sc2n1"	0	""	""	1	1	"401092"	NA
"713917"	713917	"[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate"	"CC(=O)OC(CN1CCN(CC1)c2ccccn2)CN3Sc4nc(C)cc(C)c4C3=O"	0	""	""	1	1	"401094"	NA
"714000"	714000	"4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3cc(ccc3CCC2)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	1	1	"401106"	NA
"714004"	714004	"12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	"CCN1CCc2sc3N=C(S)N(C)C(=O)c3c2C1"	0	""	""	1	1	"5471815"	NA
"714070"	714070	"Hexyl (E)-3-[(2S,4Z)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]prop-2-enoate"	"CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)\C(=O)O1"	0	""	""	1	1	"5471817"	NA
"714071"	714071	""	"CC(C)CC(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"	0	NA	NA	1	1	"532356"	NA
"714074"	714074	"2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester"	"CCC[C@H](NS(=O)c1ccc(C)cc1)C(=C(c2ccccc2)c3ccccc3)C(=O)OCC"	0	""	""	1	1	"5471819"	NA
"714075"	714075	"(Z)-4-(2-aminoanilino)-1,1,1-trichlorobut-3-en-2-one"	"Nc1ccccc1N\C=C/C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	"5471820"	NA
"714076"	714076	"(Z)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	"Oc1ccccc1N\C=C/C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	"5471821"	NA
"714121"	714121	"[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate"	"Cc1cc(C)c(c(C)c1)[S@@](=O)O[C@H]2[C@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@H]4COC(C)(C)O4"	0	""	""	1	1	"9572384"	NA
"714122"	714122	"(1R,2S,6R,7S)-4-(2,5-ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"	"CC(C)(C)c1ccc(c(c1)N2C(=O)[C@@H]3[C@H]4C[C@H](C=C4)[C@]3(C)C2=O)C(C)(C)C"	0	""	""	1	1	"401154"	NA
"714123"	714123	"2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione"	"CC1=C(C)CC2C(C1)C(=O)N(C2=O)c3cc(ccc3C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"401155"	NA
"714187"	714187	"3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin..."	"CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C"	0	""	""	1	1	"9804187"	NA
"714203"	714203	"2,6-Di-[2-(furan-2-yl)vinyl]pyridine"	"o1cccc1\C=C\c2cccc(\C=C\c3occc3)n2"	0	""	""	1	1	"5471824"	NA
"714204"	714204	"2,6-Di-[2-(thien-2-yl)vinyl]pyridine"	"C(=C\c1cccs1)/c2cccc(\C=C\c3cccs3)n2"	0	""	""	1	1	"5471825"	NA
"714205"	714205	"2,6-Di-[2(pyridin-2-yl)vinyl]pyridine"	"C(=C\c1cccc(\C=C\c2ccccn2)n1)/c3ccccn3"	0	""	""	1	1	"5471826"	NA
"714362"	714362	"8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(OC)c(c1)C2CCc3c(C2)cnc4nc(N)nc(N)c34"	0	""	""	1	1	"401166"	NA
"714363"	714363	"pyrimido[4,5-b]quinoline-2,4-diamine, 7-(2,5-dimethoxyph..."	"COc1ccc(OC)c(c1)C2CCc3nc4nc(N)nc(N)c4cc3C2"	0	""	""	2	2	"401167"	NA
"714364"	714364	"8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"Nc1nc(N)c2c3CCC(Cc3cnc2n1)c4ccccc4"	0	""	""	1	1	"401168"	NA
"714365"	714365	"8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(cc1)C2CCc3c(C2)cnc4nc(N)nc(N)c34"	0	""	""	1	1	"401169"	NA
"714366"	714366	"7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine"	"COc1ccc(cc1)C2CCc3nc4nc(N)nc(N)c4cc3C2"	0	""	""	1	1	"401170"	NA
"714369"	714369	"Meridianin D"	"Nc1nccc(n1)c2c[nH]c3cc(Br)ccc23"	0	""	""	1	1	"401171"	NA
"714370"	714370	"dehydrotamandarin-A"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	"401172"	NA
"714375"	714375	"6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine"	"Clc1nc2c(ncnc2n1C3CCCCO3)C#Cc4ccccc4"	0	""	""	1	1	"401174"	NA
"714378"	714378	"9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine"	"Clc1nc2c(ncnc2n1Cc3ccccc3)c4cccs4"	0	""	""	2	2	"401177"	NA
"714379"	714379	"9-Benzyl-6-chloro-8-(2-phenylethynyl)purine"	"Clc1ncnc2c1nc(C#Cc3ccccc3)n2Cc4ccccc4"	0	""	""	1	1	"401178"	NA
"714380"	714380	"9-Benzyl-6-chloro-8-ethenyl-9H-purine"	"Clc1ncnc2c1nc(C=C)n2Cc3ccccc3"	0	""	""	2	2	"401179"	NA
"714391"	714391	"15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	"CC1(C)CC(=O)c2c(C1)nc3CC(C)(C)Cc4[nH]c(c5ccc(Br)cc5)c2c34"	0	""	""	1	1	"5471830"	NA
"714392"	714392	"5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	"CC1(C)CC(=O)c2c(C1)nc3CC(C)(C)Cc4[nH]c(c5ccc(cc5)[N+](=O)[O-])c2c34"	0	""	""	1	1	"5471831"	NA
"714407"	714407	"[(Z)-[2-[[6-[[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea"	"NC(=O)N\N=C\c1ccccc1OCc2cccc(COc3ccccc3\C=N\NC(=O)N)n2"	0	""	""	1	1	"54604867"	NA
"714408"	714408	"methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate;hydrochloride"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]2O)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)OC"	0	""	""	1	1	"54604865"	NA
"714423"	714423	"methyl (3R,3aS)-4-oxo-3-phenyl-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate"	"COC(=O)C1=NN2[C@@H]([C@H]1c3ccccc3)C(=O)N(Cc4ccccc24)[C@@H](C)c5ccccc5"	0	""	""	1	1	"401219"	NA
"714424"	714424	"methyl (3S,3aR)-3-methyl-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate"	"COC(=O)C1=NN2[C@H]([C@@H]1C)C(=O)N(Cc3ccccc23)[C@@H](C)c4ccccc4"	0	""	""	1	1	"401220"	NA
"714445"	714445	"N-[1,3-bis(1,10-phenanthrolin-2-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCC(=O)NC(COc4ccc5ccc6cccnc6c5n4)COc7ccc8ccc9cccnc9c8n7)c2c1"	0	""	""	1	1	"401238"	NA
"714446"	714446	"N-[1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCC(=O)NC(COc4cnc5c(ccc6cccnc56)c4)COc7cnc8c(ccc9cccnc89)c7)c2c1"	0	""	""	1	1	"401239"	NA
"714452"	714452	"4-chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide"	"Clc1ccc(cc1)C(=O)NC2=NN(C(=O)c3cccnc3)C(=O)S2"	0	""	""	1	1	"401245"	NA
"714454"	714454	"2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)OCCN2NC(=NC2=S)c3ccc(Cl)cc3"	0	""	""	1	1	"5471842"	NA
"714465"	714465	""	"CCCNC(=O)CCC(C)C1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CC[C@@]7(C)[C@H](C[C@@H](OC(=O)C)C8C9CCC(C(C)CCC(=O)NCCC)[C@@]9(C)[C@H](CC78)OC(=O)C)C6)OO5)OC(=O)C"	0	""	""	3	2	"401252"	NA
"714512"	714512	"{(e)-[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2oc3ccccc3n2)C#N"	0	""	""	1	1	"401258"	NA
"714531"	714531	"Naphtho[3,2-c]isochromene-5,7,12-trione"	"O=C1OC2=C(C(=O)c3ccccc3C2=O)c4ccccc14"	0	""	""	1	1	"401276"	NA
"714597"	714597	"Imexon"	"N=C1NC(=O)N2CC12"	0	"Apo"	"Clinical trial"	2	2	"-1"	"59643913"
"714598"	714598	"ammonium tetrathiomolybdate"	"S=[Mo-2](=S)(=S)=S"	0	NA	NA	1	1	"532527"	"15060556"
"714602"	714602	"Funkiosid H"	"CC1CC[C@@]2(OC1)OC3C[C@H]4[C@@H]5CC=C6CC(CCC6(C)[C@H]5CCC4(C)C3[C@@H]2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(OC%11OC(C)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C7O"	0	""	""	1	1	"401296"	NA
"714604"	714604	"Purpureagitosid"	"CC(CC[C@@]1(O)OC2C[C@H]3[C@@H]4CC[C@H]5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC9OC(CO)C(O)C(O)C9O)C(O)C6O)[C@H](O)CC5(C)[C@H]4CCC3(C)C2[C@@H]1C)COC%10OC(CO)C(O)C(O)C%10O"	0	""	""	1	1	"401298"	NA
"714611"	714611	"BEMDGXSOILVUJR-UHFFFAOYSA-N"	"CCSSCS(=O)(=O)C"	0	""	""	1	1	"401305"	NA
"714616"	714616	""	"C1CCC2N=C(NC2C1)c3ccc(cc3)c4oc(cc4)c5ccc(cc5)C6=NC7CCCCC7N6"	0	NA	NA	1	1	"532545"	NA
"714620"	714620	""	"C1CNC(=NC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)C5=NCCCN5"	0	NA	NA	1	1	"532549"	NA
"714632"	714632	"Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate"	"CCOC(=O)CC1(O)CCCCC1(Sc2ccc(C)cc2)Sc3ccc(C)cc3"	0	""	""	1	1	"401322"	NA
"714636"	714636	"3-[2-(5-bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	"CC(C)Oc1cccc(c1)N2C(=NS(=O)(=O)c3cnccc23)CCc4c[nH]c5ccc(Br)cc45"	0	""	""	1	1	"401326"	NA
"714645"	714645	"N-(1H-indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"O=S1(=O)N=C(NCc2c[nH]c3ccccc23)N(c4ccccc4)c5ccncc15"	0	""	""	1	1	"135426739"	NA
"714652"	714652	"3-(Benzylsulfanyl)-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	"O=S1(=O)N=C(SCc2ccccc2)N(c3ccccc3)c4ccncc14"	0	""	""	1	1	"401340"	NA
"714655"	714655	"N-(benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide"	"CC(C)(C(=O)N(C(=O)N1CCN(CC1)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	"401343"	NA
"714656"	714656	"N-(benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide"	"Clc1ccc(cc1)C2(CCCC2)C(=O)N(C(=O)N3CCN(CC3)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	"401344"	NA
"714663"	714663	"N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCN(CC2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"401351"	NA
"714672"	714672	"O-(1-adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate"	"Clc1ccc(cc1Cl)C(=O)N(C(=S)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	"401360"	NA
"714674"	714674	"O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate"	"COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	"401362"	NA
"714680"	714680	"2,4-dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1ccc(C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4ccc(Cl)cc4Cl)c(Cl)c1"	0	""	""	1	1	"401368"	NA
"714681"	714681	"3,4-dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1ccc(cc1Cl)C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	"401369"	NA
"714682"	714682	"3,5-dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1cc(Cl)cc(c1)C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4cc(Cl)cc(Cl)c4"	0	""	""	1	1	"401370"	NA
"714685"	714685	"2,4,6-trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide"	"Clc1cc(Cl)c(C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4c(Cl)cc(Cl)cc4Cl)c(Cl)c1"	0	""	""	1	1	"401373"	NA
"714686"	714686	"4-phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"O=C(N(Cc1cccnc1)C(=S)N(Cc2cccnc2)C(=O)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	"401374"	NA
"714690"	714690	"N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide"	"O=C(N(Cc1cccnc1)C(=S)N(Cc2cccnc2)C(=O)c3cccs3)c4cccs4"	0	""	""	1	1	"401378"	NA
"714929"	714929	"3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.2]octane hydrochloride"	"Clc1ccc(OCC2NC3CCC2CC3)cn1"	0	""	""	1	1	"401397"	NA
"715055"	715055	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	"-1"	"184475352"
"715064"	715064	"3-(3-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1cccc(c1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	"401412"	NA
"715065"	715065	"3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1ccc(cc1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	"401413"	NA
"715067"	715067	"3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"COc1cccc(c1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	"401415"	NA
"715068"	715068	"3-(4-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"COc1ccc(cc1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	"401416"	NA
"715070"	715070	"3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1cccc(N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O)c1Cl"	0	""	""	1	1	"401418"	NA
"715072"	715072	"3-Cyclopropyl-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"O=C1CS(=O)(=O)C(N1C2CC2)c3cccc(Oc4ccccc4)c3"	0	""	""	1	1	"401420"	NA
"715082"	715082	"11-hydroxyusambarine Chlorhydrate"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7cc(O)ccc67)C[C@@H]4C=C"	0	""	""	2	2	"401426"	NA
"715084"	715084	"Pervilleanone"	"COc1c(O)c(cc(c1OC)C(C)(C)C=C)[C@@H]2COc3cc(O)ccc3C2=O"	0	""	""	1	1	"401429"	NA
"715085"	715085	"3'-O-Demethylpervilleanone"	"COc1c(O)c(O)c(cc1C(C)(C)C=C)[C@@H]2COc3cc(O)ccc3C2=O"	0	""	""	1	1	"401430"	NA
"715092"	715092	"methyl (1R,2S,4R,6R,7R,11S,12R,15R)-7,11-dimethyl-15-propan-2-yl-3,16,17,18-tetraoxapentacyclo[13.2.1.02,4.02,12.06,11]octadecane-7-carboxylate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(OO[C@@H](O4)[C@]35O[C@@H]5C[C@@H]12)C(C)C"	0	""	""	2	2	"6712813"	NA
"715099"	715099	"Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(2-furoylamino)propanoate"	"CCOC(=O)C(NC(=O)c1occc1)(Nc2nc3ccc(OCC)cc3s2)C(F)(F)F"	0	""	""	1	1	"401439"	NA
"715100"	715100	"4-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one"	"CC1CN=C(S1)N(CCc2ccccc2)C(C3=C(C)NN(C3=O)c4ccccc4)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"401440"	NA
"715119"	715119	"potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide"	"[K+].[O-]\[N+](=C/c1ccccc1OC(=S)S)\c2ccc(Cl)cc2"	0	""	""	1	1	"54611817"	NA
"715121"	715121	"2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline"	"COc1cc(OC)cc(Oc2nc3ccccc3nc2C(F)(F)F)c1"	0	""	""	1	1	"401463"	NA
"715126"	715126	"[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester"	"CCOC(=O)Cc1ccc(Nc2nc3cc(F)c(F)cc3nc2C(=O)OCC)cc1"	0	""	""	1	1	"401468"	NA
"715135"	715135	"Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)Cc1ccc(Nc2nc3ccccc3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	"401477"	NA
"715142"	715142	"4h-1-benzopyran-4-one,6-[[(ethoxy)imino]methyl]-2-phenyl-"	"CCO\N=C/c1ccc2OC(=CC(=O)c2c1)c3ccccc3"	0	""	""	2	2	"9572386"	NA
"715145"	715145	"ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate"	"CCOC(=O)[C@@H](Cc1ccc(CCl)cc1)NC(=O)C"	0	""	""	1	1	"401487"	NA
"715186"	715186	"STK134301"	"Oc1ccccc1\C=N\NC(=O)Cc2ccccc2"	0	""	""	1	1	"135400303"	NA
"715190"	715190	"1-(2-chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea"	"C\C(=N/NC(=O)Nc1ccccc1Cl)\c2ccc(O)cc2"	0	""	""	1	1	"135436232"	NA
"715191"	715191	"3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea"	"Clc1ccccc1NC(=O)NN=C2CCCCC2"	0	""	""	1	1	"401532"	NA
"715192"	715192	"1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea"	"Clc1ccccc1NC(=O)N\N=C\c2ccc3OCOc3c2"	0	""	""	2	2	"9572409"	NA
"715223"	715223	"4,6-dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1oc(\C=N\Nc2c3NC(=O)Nc3c(c(N\N=C\c4oc(cc4)[N+](=O)[O-])c2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	1	1	"16129957"	NA
"715224"	715224	"N-ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide"	"CCNC(=O)c1cc(\C=C\c2oc(cc2)[N+](=O)[O-])nc3ccccc13"	0	""	""	2	2	"5471900"	NA
"715227"	715227	"N,N-dimethyl-4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]aniline"	"CN(C)c1ccc(\C=N\c2cc(C)nn2c3ccccc3)cc1"	0	""	""	1	1	"9572411"	NA
"715229"	715229	"methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate"	"COC(=O)c1ccc(\C=N\c2cc(C)nn2c3ccccc3)cc1"	0	""	""	1	1	"9572413"	NA
"715266"	715266	"benzoxazole, 5-chloro-2-(chloromethyl)-"	"ClCc1oc2ccc(Cl)cc2n1"	0	""	""	2	2	"401571"	NA
"715269"	715269	"2-(2-Cyclohexylethyl)-5-chlorobenzoxazole"	"Clc1ccc2oc(CCC3CCCCC3)nc2c1"	0	""	""	1	1	"401574"	NA
"715286"	715286	"Cambridge id 6921328"	"COc1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4"	0	""	""	1	1	"401590"	NA
"715325"	715325	"(1r,2s,3r,4s)-3-(Benzylsulfanyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol"	"CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2SCc3ccccc3"	0	""	""	1	1	"401628"	NA
"715327"	715327	"phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate"	"CC(CO)C1=CC(C#CCOCc2ccccc2)N(C(=O)Oc3ccccc3)c4ccccc14"	0	""	""	1	1	"6712814"	NA
"715329"	715329	"phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate"	"C[C@@H](CO)C1=CC(C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c3ccccc13"	0	""	""	1	1	"5471910"	NA
"715334"	715334	"5-[(Z)-[5-[(E)-(5-imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile"	"CC1(C)CC(=N)O/C/1=C/C2=N\C(=C/C3=NC(C)(CC3(C)C)C#N)\CC2(C)C"	0	""	""	1	1	"5471911"	NA
"715335"	715335	"(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carbonitrile"	"CC1(C)C\C(=C\C2=NC(=CC2(C)C)\C=C/3\N(C(=CC3(C)C)\C=C/4\N(C(C)(CC4(C)C)C#N)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)\NC1=O"	0	""	""	1	1	"5471912"	NA
"715343"	715343	"6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole"	"Clc1ccc2[nH]c(CC3CCCC3)nc2c1"	0	""	""	1	1	"401641"	NA
"715344"	715344	"3-(Hydroxymethyl)-5-[(hydroxymethyl)sulfanyl]-1,3,4-thiadiazole-2(3h)-thione"	"OCSC1=NN(CO)C(=S)S1"	0	""	""	1	1	"401642"	NA
"715360"	715360	"1,4-dihydro-4-oxo-3'-propargylthio-3,4'-diquinolinyl sul..."	"O=C1C(=CNc2ccccc12)Sc3c(SCC#C)cnc4ccccc34"	0	""	""	1	1	"401658"	NA
"715367"	715367	"2-methoxyestra-2,5(10)-dien-1,4,17-trione"	"COC1=CC(=O)C2=C([C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2)C1=O"	0	""	""	1	1	"401659"	NA
"715368"	715368	"17.beta.-hydroxy-2-methoxyestra-2,5(10)-dien-1,4-dione"	"COC1=CC(=O)C2=C([C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC2)C1=O"	0	""	""	1	1	"401660"	NA
"715399"	715399	"[(2R,3S,4R,5R)-5-(6-chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate"	"O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)O[C@H]1n6cnc7c(Cl)ncnc67"	0	""	""	1	1	"401669"	NA
"715405"	715405	"(1S,2S,4R,7R,9S,10R)-9-methoxy-4-phenyl-3,5,8-trioxatricyclo[8.5.0.02,7]pentadec-13-en-10-ol"	"CO[C@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]3CC=CCC[C@]13O)c4ccccc4"	0	""	""	1	1	"401675"	NA
"715407"	715407	"1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate"	"CC(C)(C)OC(=O)N1C[C@H](CC(=O)OCc2ccccc2)C[C@H]1C(=O)OCC(Cl)(Cl)Cl"	0	""	""	1	1	"401677"	NA
"715422"	715422	"[(4R)-4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone"	"CC(C)(C)[Si](OCC\C=C/[C@@H]1COC(C)(C)N1C(=O)c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"5471919"	NA
"715423"	715423	"methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate"	"CCCCCCCCC[C@@H]1C[C@@H]2CCC3N2C(=NC(=C3C(=O)OC)C)N1"	0	""	""	1	1	"401693"	NA
"715431"	715431	"(1S,3R,3aS,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde"	"C\C=C\[C@@H]1O[C@H](CC#C[Si](C)(C)C)[C@]2(C=O)[C@H]1[C@H](CC=C2C)C(C)C"	0	""	""	1	1	"5471920"	NA
"715437"	715437	"(2S,3Z)-2-(iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one"	"COc1ccc(CN2[C@H](CI)\C=C/CCCC2=O)cc1"	0	""	""	1	1	"5471925"	NA
"715438"	715438	"N,N-dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide"	"CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@H](CC(=O)N(Cc2ccccc2)Cc3ccccc3)[C@H]1CC=C"	0	""	""	1	1	"401708"	NA
"715448"	715448	"N-[2-[(6S)-6-[dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine"	"C[Si](C)([C@H]1CCCC=C1CCNC2c3ccccc3CCc4ccccc24)c5ccccc5"	0	""	""	1	1	"401718"	NA
"715453"	715453	"3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde"	"CC(C)[Si](Oc1ccc(CC2N(C(CCc3ccccc3)CC2(C)C=O)C(=O)c4ccc(cc4)[N+](=O)[O-])cc1)(C(C)C)C(C)C"	0	""	""	1	1	"401723"	NA
"715457"	715457	"[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone"	"CC1(CNCc2ccccc2)CC(CCc3ccccc3)N(C1Cc4ccc(O)cc4)C(=O)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"401727"	NA
"715469"	715469	"Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate"	"COC(=O)C(CCC1CN(C=C1)S(=O)(=O)c2ccc(C)cc2)\N=C\c3ccccc3"	0	""	""	1	1	"401739"	NA
"715480"	715480	"triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane"	"C(O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)[C@@]45CC[C@H]6CN[C@@H]([C@@H](N4)c7ccccc7)[C@@H]56"	0	""	""	1	1	"401750"	NA
"715481"	715481	"tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane"	"Cc1ccc(cc1)S(=O)(=O)N2C[C@@H]3CC[C@]4(CO[Si](C)(C)C(C)(C)C)N[C@H]([C@H]2[C@H]34)c5ccccc5"	0	""	""	1	1	"401751"	NA
"715487"	715487	"5-O-benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate"	"COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1)c4occc4)[C@@H]23)C(=O)OCc5ccccc5"	0	""	""	1	1	"401757"	NA
"715489"	715489	"5-O-benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate"	"COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1S(=O)(=O)c4ccc(C)cc4)C(=O)OCC[Si](C)(C)C)[C@@H]23)C(=O)OCc5ccccc5"	0	""	""	1	1	"401759"	NA
"715496"	715496	"(Z)-3-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal"	"C[C@@H]1O[C@](C)(\C=C(\C)/C=O)[C@@H](O)[C@]1(C)O"	0	""	""	1	1	"5471937"	NA
"715500"	715500	"(E,2S)-5-[furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol"	"C[C@H](O)C(C)(O)\C(=C\[Si](C)(C)c1occc1)\C"	0	""	""	1	1	"5471939"	NA
"715516"	715516	"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone"	"COc1ccc(CC2N(CCC3=C2CCC4(C3)OCCO4)C(=O)C5CCC5)cc1O"	0	""	""	1	1	"401786"	NA
"715518"	715518	"5-{[2-(Cyclopropylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol"	"COC1=CCC2=C(CCN(C2Cc3ccc(OC)c(O)c3)C(=O)C4CC4)C1"	0	""	""	1	1	"401788"	NA
"715520"	715520	"5-{[2-(Cyclobutylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol"	"COC1=CCC2=C(CCN(C2Cc3ccc(OC)c(O)c3)C(=O)C4CCC4)C1"	0	""	""	1	1	"401790"	NA
"715522"	715522	"[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone"	"COc1cc(Br)c(CC2N(CCC3=C2CCC4(C3)OCCO4)C(=O)C5CCC5)cc1O"	0	""	""	1	1	"401792"	NA
"715523"	715523	"1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one"	"COc1cc(Br)c(CC2N(CCC3=C2CCC(=O)C3)C(=O)C4CCC4)cc1O"	0	""	""	1	1	"401793"	NA
"715527"	715527	"3-(3,10-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	"CN(C)CCCN1c2ccc(cc2CCc3cccc(c13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"401797"	NA
"715528"	715528	"3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	"CN(C)CCCN1c2ccc(cc2CCc3cc(ccc13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"401799"	NA
"715545"	715545	"1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid"	"Fc1ccc(cc1)C(OCCN2CCN(CCCCl)CC2)c3ccc(F)cc3"	0	""	""	1	1	"5471947"	NA
"715559"	715559	"3-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate"	"Nc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1"	0	""	""	1	1	"401855"	NA
"715561"	715561	"1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate"	"COc1ccccc1CCN2CCN(CCCc3ccccc3)CC2"	0	""	""	1	1	"401859"	NA
"715572"	715572	"2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one"	"CN1C2CCC1C(CO)C(=O)C2"	0	""	""	1	1	"401880"	NA
"715577"	715577	"(8E)-8-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid"	"CN1CCC2(CC1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4ccccc4"	0	""	""	2	1	"24202621"	NA
"715581"	715581	"N-[bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride"	"CN1C2CCC1CC(CC(=O)NC(c3ccc(F)cc3)c4ccc(F)cc4)C2"	0	""	""	1	1	"401891"	NA
"715584"	715584	"3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-9-(1h-indol-2-ylcarbonyl)-3,9-diazabicyclo[4.2.1]nonane"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C(=O)c4cc5ccccc5[nH]4)c6ccc(F)cc6"	0	""	""	1	1	"401896"	NA
"715586"	715586	"3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C\C=C\c4cccs4)c5ccc(F)cc5"	0	""	""	1	1	"5471951"	NA
"715588"	715588	"3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C\C=C\c4occc4)c5ccc(F)cc5"	0	""	""	1	1	"5471955"	NA
"715589"	715589	"2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid"	"OC1C(CN2CCN(CCOC(c3ccc(F)cc3)c4ccc(F)cc4)CC2)CCc5ccccc15"	0	""	""	1	1	"5471957"	NA
"715594"	715594	"1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid"	"COc1ccc2C=C(CN3CCN(CCOC(c4ccc(F)cc4)c5ccc(F)cc5)CC3)CCc2c1"	0	""	""	1	1	"5471959"	NA
"715595"	715595	"2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid"	"COc1ccc2C(O)C(CN3CCN(CCOC(c4ccc(F)cc4)c5ccc(F)cc5)CC3)CCc2c1"	0	""	""	1	1	"5471960"	NA
"715597"	715597	"3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid"	"OC(CCN1CCN(CCOC(c2ccccc2)c3ccccc3)CC1)c4ccccc4"	0	""	""	1	1	"5471962"	NA
"715638"	715638	"Presqualene alcohol"	"CC(=CCC\C(=C\CC\C(=C\[C@@H]1[C@@H](CO)[C@]1(C)CC\C=C(/C)\CCC=C(C)C)\C)\C)C"	0	""	""	1	1	"5471965"	NA
"715639"	715639	"16.alpha.-hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21..."	"CC(=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@@H](CC3)C(=C)C)C(=O)O)C"	0	""	""	1	1	"5471966"	NA
"715643"	715643	"methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate"	"COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)C3CCCCC4(CC(O)C(C(C(O)CC56CCCCC7[C@@H](C)[C@H](C[C@@H]8[C@]7(C)CC[C@@H](O)[C@@]8(C)C(=O)OC)O[C@H]([C@@H](O)[C@H](O)O5)[C@H]6O)C9=CC(=O)OC9)C%10=CC(=O)OC%10)O[C@H](O)[C@@H](O)[C@H](O[C@H](C[C@H]12)[C@H]3C)[C@@H]4O"	0	""	""	2	2	"401955"	NA
"715647"	715647	"[(E)-[4-[[6-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea"	"NC(=S)N\N=C/c1ccc(OCc2cccc(COc3ccc(\C=N\NC(=S)N)cc3)n2)cc1"	0	""	""	1	1	"5471967"	NA
"715648"	715648	"[(Z)-[2-[[6-[[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea"	"NC(=S)N\N=C\c1ccccc1OCc2cccc(COc3ccccc3\C=N\NC(=S)N)n2"	0	""	""	2	2	"54611756"	NA
"715653"	715653	"3,6-bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride"	"Cn1c2ccc(cc2c3cc(ccc13)C4=NCCN4)C5=NCCN5"	0	""	""	1	1	"401965"	NA
"715654"	715654	"9-(cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride"	"C(C1CCCCC1)n2c3ccc(cc3c4cc(ccc24)C5=NCCN5)C6=NCCN6"	0	""	""	1	1	"401967"	NA
"715657"	715657	"6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(Cc5ccccc45)c13"	0	""	""	2	2	"135426740"	NA
"715658"	715658	"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one"	"O=C1NN=Cc2[nH]c3c(CCc4ccccc34)c12"	0	""	""	1	1	"135426741"	NA
"715660"	715660	"6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	"CC1=NNC(=O)c2c3Cc4ccccc4c3[nH]c12"	0	""	""	1	1	"135426742"	NA
"715664"	715664	"phenol, 4-(5,6-dimethyl-1h-benzimidazol-2-yl)- 2,6-bis(1..."	"Cc1cc2nc([nH]c2cc1C)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	2	2	"401977"	NA
"715682"	715682	"(5E)-2-[(4-methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one"	"Cc1ccc(OCC2=NN3C(N2)S\C(=C\c4oc(cc4)[N+](=O)[O-])\C3=O)cc1"	0	""	""	1	1	"5471975"	NA
"715683"	715683	"(5E)-2-[(4-chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one"	"Clc1ccc(OCC2=NN3C(N2)S\C(=C\c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)cc1"	0	""	""	1	1	"5471976"	NA
"715686"	715686	"[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone"	"OC1(CC(=NN1C(=O)c2cccnc2)c3ccc(Cl)cc3)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	"401997"	NA
"715688"	715688	"5-(2,4-dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole"	"Fc1cc(c(Cl)cc1Cl)c2cc(n[nH]2)c3ccccc3"	0	""	""	1	1	"401999"	NA
"715690"	715690	"3-(1,3-benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole"	"Fc1cc(c(Cl)cc1Cl)c2cc(n[nH]2)c3ccc4OCOc4c3"	0	""	""	2	2	"402001"	NA
"715691"	715691	"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)isoxazole"	"COc1ccc(cc1OC)c2cc(on2)c3cc(F)c(Cl)cc3Cl"	0	""	""	1	1	"402002"	NA
"715693"	715693	"6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCc1nnc2sc(nn12)c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	"402004"	NA
"715708"	715708	"(1R,2S)-1-(2-chlorophenyl)-2-nitrobutan-1-ol"	"CC[C@@H]([C@H](O)c1ccccc1Cl)[N+](=O)[O-]"	0	""	""	1	1	"402014"	NA
"715710"	715710	"3-Benzyl-6-iodo-2-[(3-nitropyridin-2-yl)sulfanyl]quinazolin-4(3h)-one"	"[O-][N+](=O)c1cccnc1SC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	"402015"	NA
"715711"	715711	"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea"	"CCNC(=S)NNC(=O)CSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	2	2	"5471977"	NA
"715713"	715713	"Ethyl 3-[(3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate"	"CCOC(=O)CCSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	2	2	"402018"	NA
"715715"	715715	"ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate"	"CCO\C=N\NC(=O)CSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	1	1	"9572421"	NA
"715716"	715716	"3-Benzyl-2-[(2,4-dinitrophenyl)sulfanyl]-6-iodoquinazolin-4(3h)-one"	"[O-][N+](=O)c1ccc(SC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4)c(c1)[N+](=O)[O-]"	0	""	""	2	2	"402021"	NA
"715718"	715718	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide"	"Brc1ccc(NC(=O)CSC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4)cc1"	0	""	""	1	1	"402023"	NA
"715719"	715719	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide"	"Ic1ccc2N=C(SCC(=O)Nc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402024"	NA
"715722"	715722	"STK559095"	"SC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	1	1	"1550629"	NA
"715724"	715724	"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea"	"Ic1ccc2N=C(SCC(=O)NNC(=S)Nc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"5471979"	NA
"715726"	715726	"N-[[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide"	"Ic1ccc2N=C(SCC(=O)NNC=O)N(Cc3ccccc3)C(=O)c2c1"	0	""	""	1	1	"402031"	NA
"715727"	715727	"N'-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide"	"Ic1ccc2N=C(SCC(=O)NNC(=O)c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402032"	NA
"715729"	715729	"3-benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one"	"Ic1ccc2N=C(SCC(=O)\C=C\c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	2	2	"5471980"	NA
"715732"	715732	"3-Benzyl-6-iodo-2-[(1,3,4-oxadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one"	"Ic1ccc2N=C(SCc3ocnn3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402037"	NA
"715733"	715733	"3-Benzyl-6-iodo-2-[(1,3,4-thiadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one"	"Ic1ccc2N=C(SCc3nncs3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402038"	NA
"715735"	715735	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide"	"Ic1ccc2N=C(SCC(=O)NN3C(=O)CCC3=O)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402040"	NA
"715737"	715737	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide"	"Ic1ccc2N=C(SCC(=O)NN3C(SCC3=O)c4ccccc4)N(Cc5ccccc5)C(=O)c2c1"	0	""	""	1	1	"402042"	NA
"715739"	715739	"4-Benzyl-7-iodo-2,4-dihydroimidazo[1,2-a]quinazolin-5(1h)-one"	"Ic1ccc2N3CCN=C3N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402044"	NA
"715740"	715740	"N-[(E)-benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide"	"Ic1ccc2N=C(SCC(=O)N\N=C\c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"9572422"	NA
"715742"	715742	"3-Benzyl-2-{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3h)-one"	"Cc1cc(C)n(n1)C(=O)CSC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	"402047"	NA
"715744"	715744	"3-benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one"	"Ic1ccc2N=C(SCC3=NNC(=S)O3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"5471983"	NA
"715745"	715745	"4-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]tetrahydropyridazine-3,6-dione"	"Ic1ccc2N=C(SC3CC(=O)NNC3=O)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"402050"	NA
"715746"	715746	"3-benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one"	"Ic1ccc2N=C(SCC3=NC(=O)CNN3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	"135426744"	NA
"715749"	715749	"4-(1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline"	"N(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccccn4"	0	""	""	1	1	"5471984"	NA
"715751"	715751	"{(e)-[4-(1h-Benzimidazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)C#N"	0	""	""	1	1	"402055"	NA
"715753"	715753	"4-[[4-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	"402057"	NA
"715755"	715755	"2-[[4-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol"	"Oc1ccccc1\C=N\c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"402059"	NA
"715757"	715757	"2-[[4-(1H-benzimidazol-2-yl)anilino]diazenyl]propanoic acid"	"CC(NN=Nc1ccc(cc1)c2nc3ccccc3[nH]2)C(=O)O"	0	""	""	1	1	"402061"	NA
"715759"	715759	"N-(1E-pentenyl)-2Z,4Z-heptadienamide"	"CCC\C=C\NC(=O)\C=C/C=C\CC"	0	""	""	1	1	"5471986"	NA
"715763"	715763	"N-[3-[methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride"	"CN(CCCNC(=O)c1nn(c2ccccc2)c3c1ccc4ccccc34)CCCNC(=O)c5nn(c6ccccc6)c7c5ccc8ccccc78"	0	""	""	2	1	"402064"	NA
"715764"	715764	"N-[2-[methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride"	"CN(CCNC(=O)c1nn(c2ccccc2)c3c1ccc4ccccc34)CCNC(=O)c5nn(c6ccccc6)c7c5ccc8ccccc78"	0	""	""	1	1	"402066"	NA
"715767"	715767	"N-[3-[3-(2H-benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide"	"CN(CCCNC(=O)c1n[nH]c2c1ccc3ccccc23)CCCNC(=O)c4n[nH]c5c4ccc6ccccc56"	0	""	""	1	1	"402072"	NA
"715768"	715768	"methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(OC(=O)C)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"	0	""	""	2	1	"11972632"	NA
"715775"	715775	"11h-indolo[1,2-b]indazolium, 11-[[4-(dimethylamino)pheny..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2c5ccccc5[n+]4C)cc1"	0	""	""	2	2	"5471987"	NA
"715776"	715776	"4-[(Z)-(7-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1ccc2\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n4c2c1"	0	""	""	2	2	"5471989"	NA
"715777"	715777	"4-[(Z)-(5-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1cccc2c1\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n24"	0	""	""	2	2	"5471991"	NA
"715778"	715778	"5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate"	"COc1cccc2c1Cc3cc(c4ccccc4)[n+](C)n23"	0	""	""	1	1	"402080"	NA
"715804"	715804	"(3E,6E)-3-[(4-methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"COc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	1	1	"5471994"	NA
"715805"	715805	"(3E,6E)-3-[(4-fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Fc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	"5471995"	NA
"715806"	715806	"(3E,6E)-3-[(4-chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Clc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	"5471996"	NA
"715810"	715810	"(3E,6E)-3-[(5-phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione"	"O=C1N\C(=C\c2cccs2)\C(=O)N/C/1=C/c3ccc(OCc4ccccc4)cn3"	0	""	""	2	2	"5472000"	NA
"715811"	715811	"(3E,6E)-3-[(5-phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione"	"O=C1N\C(=C\c2ccc(OCc3ccccc3)cn2)\C(=O)N/C/1=C/c4cccnc4"	0	""	""	2	2	"5472001"	NA
"715812"	715812	"(3E,6E)-3-(2-oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"O=C1N\C(=C/2\C(=O)Nc3ccccc23)\C(=O)N/C/1=C/c4ccc(OCc5ccccc5)cn4"	0	""	""	1	1	"5472002"	NA
"715841"	715841	"n-benzyl-5,6-dihydro-2,3-dimethoxy-5,11-oxo-11h-indeno~[..."	"COc1cc2C(=O)N(Cc3ccccc3)C4=C(C(=O)c5ccccc45)c2cc1OC"	0	""	""	1	1	"402104"	NA
"715843"	715843	"(Z)-4-(4-bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	"Oc1ccccc1N\C(=C/C(=O)C(Cl)(Cl)Cl)\c2ccc(Br)cc2"	0	""	""	1	1	"5472004"	NA
"715971"	715971	"(3s,5s)-4-(4-Methoxybenzyl)-3,5-diphenylhexahydro-1h-pyrrolizinium chloride"	"COc1ccc(C[N@+]23[C@H](CC[C@H]2c4ccccc4)CC[C@H]3c5ccccc5)cc1"	0	""	""	1	1	"402110"	NA
"715972"	715972	"(3s,5s)-4-Benzyl-3,5-diphenylhexahydro-1h-pyrrolizinium chloride"	"C(c1ccccc1)[N@@+]23[C@@H](CC[C@H]2c4ccccc4)CC[C@H]3c5ccccc5"	0	""	""	1	1	"402112"	NA
"715973"	715973	"(3s,5s)-4-Benzyl-3,5-bis(2-methoxyphenyl)hexahydro-1h-pyrrolizinium chloride"	"COc1ccccc1[C@@H]2CC[C@H]3CC[C@@H](c4ccccc4OC)[N@@+]23Cc5ccccc5"	0	""	""	1	1	"402114"	NA
"715974"	715974	"4-methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"CN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4C)cc2"	0	""	""	1	1	"5472009"	NA
"715975"	715975	"4-ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"CCN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4CC)cc2"	0	""	""	1	1	"5472010"	NA
"715976"	715976	"4-prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"C=CCN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4CC=C)cc2"	0	""	""	1	1	"5472011"	NA
"715988"	715988	"2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione"	"O=C1C(=C2C=C3N4C(=CC(C5CCCCC45N=C3c6ccccc26)c7ccccc7)c8ccccc8)C(=O)c9ccccc19"	0	""	""	1	1	"402131"	NA
"715997"	715997	"3-Bromo-1-oxo-2-phenylthiochromen-4-one"	"BrC1=C(c2ccccc2)S(=O)c3ccccc3C1=O"	0	""	""	1	1	"5472015"	NA
"716000"	716000	"N-[3,5-bis(trifluoromethyl)phenyl]-N-dichlorophosphanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)N(C2c3ccccc3C=Cc4ccccc24)P(Cl)Cl"	0	""	""	1	1	"402140"	NA
"716002"	716002	"1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2O[P@@](=S)(C)OC)N3C=C(C)C(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5"	0	""	""	1	1	"9572423"	NA
"716011"	716011	"3,12,15,24-Tetramethoxy-7,8,19,20-tetrathiapentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaene-25,26,27,28-tetrol"	"COc1ccc2SSc3ccc(OC)c(c3O)c4c(O)c(SSc5ccc(OC)c(c5O)c1c2O)ccc4OC"	0	""	""	1	1	"402151"	NA
"716015"	716015	"16-Diphenylphosphoryl-1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene"	"C[C@@]12ON([C@@](C)(c3ccccc13)c4ccccc24)P(=O)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"402155"	NA
"716030"	716030	"(5E,6Z)-5,6-bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	""	""	1	1	"54611940"	NA
"716031"	716031	""	"OCC(O)C(O)\C(=N\Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	NA	NA	1	1	"533324"	NA
"716032"	716032	""	"OCC(O)C(O)\C(=N/Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	NA	NA	1	1	"533325"	NA
"716033"	716033	""	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2c(Br)cc(Br)cc12)\C=N\Nc3ncnc4c(Br)cc(Br)cc34"	0	NA	NA	1	1	"533326"	NA
"716034"	716034	""	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2c(Br)cc(Br)cc12)\C=N\Nc3ncnc4c(Br)cc(Br)cc34"	0	NA	NA	1	1	"533327"	NA
"716040"	716040	"6,8-dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one"	"Oc1ccc(N=Nc2ccc(cc2)N3C(=S)Nc4c(Br)cc(Br)cc4C3=O)c5ncccc15"	0	""	""	1	1	"135426750"	NA
"716044"	716044	"Neuro1_000400"	"Cc1ccc(cc1)c2nc(N\N=C\c3ccc(O)cc3)c4ccccc4n2"	0	""	""	1	1	"135436246"	NA
"716049"	716049	"3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one"	"Clc1cccc(c1)N2C(NN3C(=O)c4ccccc4N=C23)c5c(Cl)cccc5Cl"	0	""	""	1	1	"402185"	NA
"716056"	716056	"5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide"	"CCCCCCNC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O"	0	""	""	2	1	"402189"	NA
"716058"	716058	"2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine"	"Clc1ncc(nc1c2ccccc2)C(Cl)(Cl)Cl"	0	""	""	1	1	"402191"	NA
"716063"	716063	""	"COC(=O)[C@@H]1CC(C(C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C"	0	NA	NA	1	1	"533354"	NA
"716089"	716089	"1-(6-bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine"	"Clc1ccc(cc1)\N=C\c2cc3cc(Br)ccc3nc2Cl"	0	""	""	1	1	"402198"	NA
"716091"	716091	"1-(6-bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine"	"COc1cccc(c1)\N=C\c2cc3cc(Br)ccc3nc2Cl"	0	""	""	1	1	"402200"	NA
"716092"	716092	"6-Bromo-2-chloro-3-[3-(4-chlorophenyl)isoxazol-5-yl]quinoline"	"Clc1ccc(cc1)c2cc(on2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402201"	NA
"716095"	716095	"6-bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline"	"COc1ccc(cc1)C2=NNC(C2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402204"	NA
"716109"	716109	"N-[4-[[cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide"	"CCC(=O)Nc1ccc(NC(C#N)c2cccc(Oc3ccccc3)c2)cc1"	0	""	""	1	1	"402218"	NA
"716111"	716111	"N-[4-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide"	"CCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OC)cc2)cc1"	0	""	""	1	1	"402220"	NA
"716122"	716122	"2-(6-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide"	"Clc1c(Cl)c(Cl)c(c2nc3cc(ccc3[nH]2)C(=O)c4ccccc4)c(C(=O)Nc5occc5)c1Cl"	0	""	""	1	1	"402231"	NA
"716125"	716125	"2-(6-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	"Clc1ccc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4cc(ccc4[nH]3)C(=O)c5ccccc5)cc1"	0	""	""	1	1	"9572426"	NA
"716132"	716132	"phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone"	"Clc1c(Cl)c(Cl)c(c2nc3cc(ccc3[nH]2)C(=O)c4ccccc4)c(c1Cl)c5oc(nn5)c6ccccc6"	0	""	""	1	1	"402241"	NA
"716137"	716137	"N-[5-[2-(5-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide"	"Clc1ccc(cc1)C(=O)Nc2oc(nn2)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5cc(ccc5[nH]4)C(=O)c6ccccc6"	0	""	""	1	1	"135426753"	NA
"716142"	716142	"4-acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide"	"COc1cc(NC(=O)C)ccc1C(=O)N\N=C\c2ccc(Cl)cc2Cl"	0	""	""	1	1	"9572428"	NA
"716144"	716144	"4-acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide"	"COc1cc(\C=N\NC(=O)c2ccc(NC(=O)C)cc2OC)ccc1O"	0	""	""	1	1	"135436250"	NA
"716147"	716147	"4-acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide"	"COc1cc(ccc1O)C2C(Cl)C(=O)N2NC(=O)c3ccc(NC(=O)C)cc3OC"	0	""	""	1	1	"402256"	NA
"716154"	716154	"4-acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide"	"COc1cc(ccc1O)C2SCC(=O)N2NC(=O)c3ccc(NC(=O)C)cc3OC"	0	""	""	1	1	"402263"	NA
"716156"	716156	"N-[(E)-furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide"	"Oc1c(I)cc(I)cc1C(=O)N\N=C\c2occc2"	0	""	""	1	1	"9572431"	NA
"716163"	716163	"(5Z)-5-(furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"O=C1N(C(=N/C/1=C\c2occc2)c3ccccc3)c4cc5cc(Sc6ccccc6)ccc5[nH]4"	0	""	""	1	1	"5472058"	NA
"716164"	716164	"(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3cc4cc(Sc5ccccc5)ccc4[nH]3)c6ccccc6)ccc1O"	0	""	""	1	1	"5472059"	NA
"716167"	716167	"(E)-1-phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine"	"S(c1ccccc1)c2ccc3[nH]c(cc3c2)\N=C\c4ccccc4"	0	""	""	1	1	"9572432"	NA
"716169"	716169	"(5Z)-5-benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccccc4)\N=C3c5ccccc5"	0	""	""	1	1	"5472064"	NA
"716171"	716171	"(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccc(O)c(OC)c4)\N=C3c5ccccc5"	0	""	""	1	1	"5472066"	NA
"716172"	716172	"(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccc(SC)cc4)\N=C3c5ccccc5"	0	""	""	2	2	"5472067"	NA
"716173"	716173	"(5Z)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4cc(OC)c(OC)c(OC)c4)\N=C3c5ccccc5"	0	""	""	2	1	"5472068"	NA
"716175"	716175	"(E)-1-(furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine"	"CCCSc1ccc2[nH]c(cc2c1)\N=C\c3occc3"	0	""	""	1	1	"9572435"	NA
"716178"	716178	"N-[2,5-dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide"	"COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)N\N=C\C=C\c2ccccc2"	0	""	""	1	1	"9572438"	NA
"716181"	716181	"1-(2-methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea"	"COc1ccc(\C=N\NC(=S)Nc2cc(C)ccc2OC)cc1"	0	""	""	1	1	"9572440"	NA
"716182"	716182	"1-[(E)-furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea"	"COc1ccc(C)cc1NC(=S)N\N=C\c2occc2"	0	""	""	1	1	"9572441"	NA
"716183"	716183	"5-(2-aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(C)cc1Nc2nnc(s2)c3ccccc3N"	0	""	""	1	1	"402292"	NA
"716184"	716184	"5-(4-aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(C)cc1Nc2nnc(s2)c3ccc(N)cc3"	0	""	""	1	1	"402293"	NA
"716186"	716186	"4-acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4"	0	""	""	1	1	"5472079"	NA
"716193"	716193	"N-[4-[[(2,4-dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NNS(=O)(=O)c2ccc(Cl)cc2Cl"	0	""	""	1	1	"402302"	NA
"716194"	716194	"2-[(2-{[4-(Acetylamino)-2-ethoxyphenyl]carbonyl}hydrazino)carbonyl]phenyl acetate"	"CCOc1cc(NC(=O)C)ccc1C(=O)NNC(=O)c2ccccc2OC(=O)C"	0	""	""	2	2	"402303"	NA
"716197"	716197	"4-acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)N\N=C\c2occc2"	0	""	""	1	1	"9559219"	NA
"716199"	716199	"4-acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Oc3ccccc3)C2=O)c4ccccc4"	0	""	""	1	1	"402308"	NA
"716202"	716202	"4-acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Oc3ccccc3)C2=O)c4ccc(O)c(OC)c4"	0	""	""	1	1	"402311"	NA
"716203"	716203	"4-acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Cl)C2=O)c3ccccc3"	0	""	""	1	1	"402312"	NA
"716206"	716206	"4-acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	"402315"	NA
"716209"	716209	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one"	"ClC1C(N(C1=O)c2ccc(Cl)cc2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402318"	NA
"716210"	716210	"2-azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)- 3-chlo..."	"Fc1ccc(cc1Cl)N2C(C(Cl)C2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	2	2	"402319"	NA
"716211"	716211	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one"	"ClC1C(N(C1=O)c2c(Cl)cccc2Cl)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402320"	NA
"716212"	716212	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one"	"COc1ccc(cc1)N2C(C(Cl)C2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402321"	NA
"716213"	716213	"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)N2C(SCC2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	"402322"	NA
"716223"	716223	"2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-methoxyphenyl)amino]acetamide"	"COc1ccc(NC(C(=O)N)c2cc3cc(Br)ccc3nc2Cl)cc1"	0	""	""	1	1	"402332"	NA
"716242"	716242	"4-[[(1R,5R,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol"	"C[C@@H]1CCC2[C@@H](C)[C@@H](OC3CCC(O)CC3)OC4O[C@@]5(C)CCC1[C@@]24OO5"	0	""	""	1	1	"54611790"	NA
"716244"	716244	"Kendomycin"	"C[C@H]1C[C@H](C)[C@]2(O)OC3=C(C)C(=O)C(=C([C@@H]4O[C@H](CC[C@H](C)\C=C(/C)\C1)[C@H](C)[C@H](O)[C@H]4C)C3=C2)O"	0	""	""	4	4	"5472093"	"183202735"
"716257"	716257	"[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)OC(=O)C)cc1OC"	0	""	""	1	1	"5472094"	NA
"716258"	716258	"[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC3)OC(=O)C)C)=N/O)cc1OC"	0	""	""	1	1	"9572442"	NA
"716259"	716259	"(8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"COc1ccc(\C=C\2/C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	"5472096"	NA
"716260"	716260	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CCC5=C\C(=N\O)\CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1OC"	0	""	""	1	1	"9572443"	NA
"716261"	716261	"(3S,8R,9S,10R,13S,14S,16E)-3-hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C4=O"	0	""	""	1	1	"5472098"	NA
"716262"	716262	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O"	0	""	""	1	1	"9572444"	NA
"716263"	716263	"(8R,9S,10R,13S,14S,16E)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C4=O"	0	""	""	1	1	"5472100"	NA
"716264"	716264	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5ccc(cc5)[N+](=O)[O-])\[C@@H]2O"	0	""	""	1	1	"5472101"	NA
"716265"	716265	"2-methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	"5472102"	NA
"716268"	716268	"2-methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3cccs3)[N+](=O)[O-]"	0	""	""	1	1	"5472105"	NA
"716270"	716270	"2-methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NOC(C3)c4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	"402358"	NA
"716271"	716271	"N-[4-[5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NOC(C3)c4ccccc4O)[N+](=O)[O-]"	0	""	""	1	1	"402359"	NA
"716274"	716274	"2-methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	"402362"	NA
"716275"	716275	"N-[4-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4O)[N+](=O)[O-]"	0	""	""	1	1	"402363"	NA
"716276"	716276	"2-methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4cccs4)[N+](=O)[O-]"	0	""	""	1	1	"402364"	NA
"716281"	716281	"N-[4-[2-(2,4-dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"CCOc1cc(ccc1O)C2CC(=NN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4ccc(NS(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])cc4"	0	""	""	1	1	"402369"	NA
"716286"	716286	"2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NN(C(C3)c4ccccc4)S(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"402374"	NA
"716290"	716290	"N-[4-[3-(3-ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"CCOc1cc(ccc1O)C2CC(=NN2S(=O)(=O)c3cc(ccc3C)[N+](=O)[O-])c4ccc(NS(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])cc4"	0	""	""	1	1	"402378"	NA
"716293"	716293	"N-[4-[2-[(Z)-benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/c4ccccc4)n3"	0	""	""	1	1	"9572445"	NA
"716297"	716297	"4-chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/c4cccc(Oc5ccccc5)c4)n3"	0	""	""	1	1	"9572447"	NA
"716298"	716298	"4-chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/C=C/c4ccccc4)n3"	0	""	""	1	1	"9572448"	NA
"716299"	716299	"4-chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5ccccc5"	0	""	""	1	1	"402387"	NA
"716300"	716300	"4-chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5ccccc5O"	0	""	""	1	1	"402388"	NA
"716301"	716301	"4-chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5cccs5"	0	""	""	1	1	"402389"	NA
"716302"	716302	"4-chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5cccc(Oc6ccccc6)c5"	0	""	""	1	1	"402390"	NA
"716304"	716304	"4-chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SCC4=O)c5ccccc5"	0	""	""	1	1	"402392"	NA
"716306"	716306	"4-chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SCC4=O)c5cccs5"	0	""	""	1	1	"402394"	NA
"716309"	716309	"4-chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SC(C)C4=O)c5ccccc5"	0	""	""	1	1	"402397"	NA
"716311"	716311	"4-chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SC(C)C4=O)c5cccs5"	0	""	""	1	1	"402399"	NA
"716333"	716333	"LS-123810"	"Clc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	"5472116"	NA
"716334"	716334	"(E)-1-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one"	"CSc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	"5472117"	NA
"716336"	716336	"3-(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole"	"CSc1ccc(cc1)c2onc(c2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"402405"	NA
"716339"	716339	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	"Clc1ccc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	"9572449"	NA
"716341"	716341	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide"	"COc1cc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)ccc1O"	0	""	""	1	1	"135436257"	NA
"716343"	716343	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide"	"ClC1C(N(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)C1=O)c5ccc(Cl)cc5"	0	""	""	1	1	"402412"	NA
"716344"	716344	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide"	"CN(C)c1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4"	0	""	""	1	1	"402413"	NA
"716345"	716345	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide"	"CSc1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4"	0	""	""	1	1	"402414"	NA
"716347"	716347	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide"	"Clc1ccc(\C=C\2/N=C(N(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4)C2=O)c6ccccc6)cc1"	0	""	""	1	1	"5472124"	NA
"716348"	716348	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide"	"CSc1ccc(\C=C\2/N=C(N(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4)C2=O)c6ccccc6)cc1"	0	""	""	1	1	"5472125"	NA
"716351"	716351	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide"	"Clc1cccc(Cl)c1NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3"	0	""	""	1	1	"402420"	NA
"716353"	716353	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide"	"CCC(=O)Nc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)c1"	0	""	""	1	1	"402422"	NA
"716354"	716354	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide"	"NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1c2nc3ccccc3[nH]2"	0	""	""	1	1	"402423"	NA
"716356"	716356	"(e)-2-(1h benzo[d]imidazol-2-yl)-3,4,5,6 tetrachloro-n'-..."	"Clc1c(Cl)c(Cl)c(c2nc3ccccc3[nH]2)c(C(=O)NNC(=O)\C=C\c4ccccc4)c1Cl"	0	""	""	1	1	"5472127"	NA
"716408"	716408	"(2S)-2-[2,2-bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)C(C[C@@]2(NC(=O)CS2)c3ccc(Cl)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	"402438"	NA
"716416"	716416	"3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide"	"NC(=S)N1N=C(CC1c2ccccc2)c3ccc4CCCc4c3"	0	""	""	1	1	"5472130"	NA
"716417"	716417	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	"o1cccc1\C=N\c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	"402447"	NA
"716418"	716418	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine"	"C(=N\c1ccc(cc1)c2nc3ccccc3s2)/c4cccs4"	0	""	""	1	1	"402448"	NA
"716420"	716420	"EU-0001091"	"COc1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4s3)cc1OC"	0	""	""	1	1	"402450"	NA
"716421"	716421	"4-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	"402451"	NA
"716429"	716429	"{(e)-[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2nc3ccccc3s2)C#N"	0	""	""	1	1	"402458"	NA
"716430"	716430	"N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	"o1cccc1\C=N\c2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	"402459"	NA
"716432"	716432	"N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine"	"C(=N\c1ccc(cc1)c2nc3ccccc3[nH]2)/c4ccc[nH]4"	0	""	""	1	1	"402461"	NA
"716490"	716490	"Methyl 2,3,8-trimethyl-5-oxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	"COC(=O)c1c(C)[nH]c2c1cc(O)c3nc(C)c(C)nc23"	0	""	""	1	1	"135426755"	NA
"716492"	716492	"Methyl 2,3,8-trimethyl-5,6-dioxo-6,9-dihydro-5h-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	"COC(=O)c1c(C)[nH]c2c3nc(C)c(C)nc3C(=O)C(=O)c12"	0	""	""	1	1	"402467"	NA
"716495"	716495	"2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one"	"Clc1ccc(\C=C\2/N=C(Nc3ccccc3Cl)NC2=O)c(Cl)c1"	0	""	""	1	1	"135436262"	NA
"716498"	716498	"2-[Phenylamino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one"	"Clc1cccc(Cl)c1\C=C\2/N=C(Nc3ccccc3)NC2=O"	0	""	""	1	1	"135436265"	NA
"716503"	716503	"1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil"	"FC1=CN(COC(=O)CCNC(=O)C=C)C(=O)NC1=O"	0	""	""	1	1	"402478"	NA
"716510"	716510	"diethyl 2-(5-methoxycarbonyl-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate"	"CCOC(=O)C(=C1NC2(C(S1)C(=O)OC)c3ccccc3Nc4ccc(C)cc24)C(=O)OCC"	0	""	""	1	1	"402484"	NA
"716518"	716518	"2-(9,10-Dimethoxy-10-thien-2-yl-9,10-dihydroanthracen-9-yl)thiophene"	"COC1(c2cccs2)c3ccccc3C(OC)(c4cccs4)c5ccccc15"	0	""	""	1	1	"402492"	NA
"716520"	716520	"3,7-Dimethyloct-6-en-1-yl trifluoromethanesulfinate"	"CC(CCOS(=O)C(F)(F)F)CCC=C(C)C"	0	""	""	1	1	"402494"	NA
"716522"	716522	"8-{[(3As)-2-methylhexahydro-1h-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]oxy}quinoline"	"CN1C[C@@H]2CCCN2P1Oc3cccc4cccnc34"	0	""	""	1	1	"402496"	NA
"716524"	716524	"Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"CCCCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O"	0	""	""	2	2	"402498"	NA
"716525"	716525	"phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3ccccc3"	0	""	""	1	1	"402499"	NA
"716526"	716526	"2h-1-benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-n-..."	"CCCCCNC(=O)C1=Cc2cc(CCl)ccc2OC1=O"	0	""	""	2	2	"402500"	NA
"716527"	716527	"6-(chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	1	1	"402501"	NA
"716528"	716528	"6-(chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Nc3ccc4ccccc4c3"	0	""	""	1	1	"402502"	NA
"716531"	716531	"6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccnc3"	0	""	""	1	1	"402505"	NA
"716535"	716535	"Quinolin-8-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc4cccnc34"	0	""	""	1	1	"402508"	NA
"716536"	716536	"Phenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate"	"CC(=O)OCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3ccccc3"	0	""	""	1	1	"402509"	NA
"716537"	716537	"1-Methylpiperidin-3-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"CN1CCCC(C1)OC(=O)C2=Cc3cc(CCl)ccc3OC2=O"	0	""	""	1	1	"402510"	NA
"716539"	716539	"5-Chloropyridin-3-yl 2-oxo-6-[(propanoyloxy)methyl]-2h-chromene-3-carboxylate"	"CCC(=O)OCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cncc(Cl)c3"	0	""	""	1	1	"402512"	NA
"716544"	716544	"(1'R,2'R,8'S,10'R)-10'-phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	"O=C1C[C@@H](Sc2ccccc2)C3(OCCO3)[C@H]4ON5CCC[C@@H]5[C@@H]14"	0	""	""	1	1	"402518"	NA
"716545"	716545	"Rogiolol"	"CC1(Cl)CCC2(CC1Br)C(=C)C[C@H](O)[C@H](Br)C2(C)C"	0	""	""	1	1	"402519"	NA
"716559"	716559	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6ccncc6)\[C@@H]2O"	0	""	""	1	1	"5472144"	NA
"716560"	716560	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccncc5)\C\4=N/O"	0	""	""	1	1	"135436266"	NA
"716561"	716561	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccncc5)\C\4=N/O"	0	""	""	1	1	"135436267"	NA
"716564"	716564	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CCC5=C\C(=N\O)\CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1"	0	""	""	1	1	"9572454"	NA
"716566"	716566	"STL023578"	"CCOC(=O)c1c(N)sc2CCC(C)Cc12"	0	""	""	1	1	"402542"	NA
"716567"	716567	"ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate"	"CCOC(=O)Nc1sc2CCC(C)Cc2c1C#N"	0	""	""	1	1	"402543"	NA
"716569"	716569	"STK001367"	"CCOC(=O)c1c2CC(C)CCc2sc1N\C(=N\CC=C)\S"	0	""	""	1	1	"4554414"	NA
"716576"	716576	"LS-41011"	"CC1CCc2sc3N=C(S)N(C)C(=O)c3c2C1"	0	""	""	1	1	"3076856"	NA
"716678"	716678	"SRQNSZYLZQIYMJ-UHFFFAOYSA-N"	"CCOC(=O)c1cccc(NN=Nc2cccc(c2)C(=O)OCC)c1"	0	""	""	1	1	"402560"	NA
"716679"	716679	"ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate"	"CCOC(=O)c1cccc(c1)N=Nc2nc[nH]c2\C=C\C(=O)OC"	0	""	""	1	1	"135436270"	NA
"716688"	716688	"2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium"	"CC(NC(=O)C(Cc1ccc(OCC[N+](C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)N"	0	""	""	1	1	"6712835"	NA
"716706"	716706	"2-amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride"	"NC(Cc1c[nH]c(I)n1)C(=O)O"	0	""	""	1	1	"402578"	NA
"716715"	716715	"methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate"	"COC(=O)\C=C\c1ccccc1N=[S@@](=O)(C)c2ccc(C)cc2"	0	""	""	1	1	"24202623"	NA
"716721"	716721	"(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide"	"CC1(C)[C@@H]2CC[C@@]1(C)C3(SS3=O)C24Cc5ccccc5C4"	0	""	""	1	1	"402591"	NA
"716722"	716722	"5,7-dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one"	"COc1c(CC=C(C)C)cc(cc1\C=C\C(C)(C)O)C2CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	1	1	"5472156"	NA
"716725"	716725	"11-hydroxyvittatine"	"O[C@H]1CC2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3"	0	""	""	1	1	"402595"	NA
"716726"	716726	"(1S,15S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol"	"CO[C@H]1CC2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3O"	0	""	""	1	1	"402596"	NA
"716728"	716728	"pancracine"	"O[C@H]1C[C@@H]2N3CC(C2=CC1O)c4cc5OCOc5cc4C3"	0	""	""	1	1	"402598"	NA
"716729"	716729	"[(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate"	"CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(O)[C@H]3CC[C@]12C"	0	""	""	1	1	"402599"	NA
"716730"	716730	"(8S,9S,10S,13S,14S)-4-bromo-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione"	"C[C@]12CC[C@H]3[C@@H](CCC4=C(Br)C(=O)C=C[C@]34O)[C@@H]1CCC2=O"	0	""	""	1	1	"402600"	NA
"716758"	716758	"10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol"	"COc1ccc(N\N=C\2/C3=C(CCC(C)(C)O3)C(=O)c4ccccc24)cc1"	0	""	""	1	1	"402602"	NA
"716763"	716763	"2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol"	"Cc1ccc(N\N=C\2/C3=C(CCC(C)(C)O3)C(=O)c4ccccc24)cc1"	0	""	""	1	1	"402607"	NA
"716765"	716765	"1-allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea"	"[O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=S)NCC=C)\c2c1"	0	""	""	1	1	"135426761"	NA
"716766"	716766	"STK423577"	"[O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=S)Nc3ccccc3)\c2c1"	0	""	""	1	1	"3715893"	NA
"716768"	716768	"1-allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)NCC=C)\c2c1"	0	""	""	1	1	"135426763"	NA
"716769"	716769	"1-cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)NC4CCCCC4)\c2c1"	0	""	""	1	1	"135426764"	NA
"716770"	716770	"1-(4-chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)Nc4ccc(Cl)cc4)\c2c1"	0	""	""	1	1	"135426765"	NA
"716771"	716771	"STK795136"	"Fc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccc(Br)cc23)cc1"	0	""	""	1	1	"1984902"	NA
"716775"	716775	"6,9-Dichloro-4-methylcyclopenta[c]chromen-8-ol"	"Cc1oc2c(Cl)cc(O)c(Cl)c2c3cccc13"	0	""	""	1	1	"402619"	NA
"716776"	716776	"17-[4-(Dimethylamino)phenyl]-16-methyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol"	"CN(C)c1ccc(cc1)n2c(C)c3cccc3c4cc(O)c5ccccc5c24"	0	""	""	1	1	"402620"	NA
"716782"	716782	"monastrol"	"CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2"	0	"KIF11"	""	4	1	"2987927"	NA
"716790"	716790	"[(E,1S)-1-[(3aR,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]4CCCC[C@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	"54611948"	NA
"716791"	716791	"[(E,1R)-1-[(3aR,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]4CCCC[C@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	"54611949"	NA
"716792"	716792	"[(E,1S)-1-[(3aS,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@H]4CCCC[C@@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	"54611950"	NA
"716795"	716795	"N-[(4-methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide"	"COc1ccc(NC(=S)NC(=O)c2ccc3Oc4ccccc4Sc3c2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"5472173"	NA
"716796"	716796	"N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide"	"Brc1ccc(NC(=S)NC(=O)c2ccc3Oc4ccccc4Sc3c2)cc1"	0	""	""	1	1	"5472174"	NA
"716803"	716803	"N-[(E)-benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	"O=C(CSc1nnc(s1)c2ccccn2)N\N=C\c3ccccc3"	0	""	""	1	1	"9572470"	NA
"716804"	716804	"N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)CSc2nnc(s2)c3ccccn3)cc1"	0	""	""	1	1	"9572471"	NA
"716807"	716807	"n-benzyl-indole-3-carbinol"	"OCc1cn(Cc2ccccc2)c3ccccc13"	0	""	""	3	2	"402633"	NA
"716812"	716812	"ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)CCc1c(C)c(\C=C/2\NC(=O)C(=C2CC)C)[nH]c1C(=O)OCC"	0	""	""	1	1	"5472185"	NA
"716814"	716814	"(1S,7R,8R,10S)-8-chloro-10-(4-nitrophenyl)sulfanyl-3,5-diphenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene"	"[O-][N+](=O)c1ccc(S[C@H]2[C@H]3C[C@@H](Cl)[C@@H]2c4c3c([nH]c4c5ccccc5)c6ccccc6)cc1"	0	""	""	1	1	"402639"	NA
"716817"	716817	"2-[3-[1-[3-(Carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid"	"OC(=O)COc1c(Cl)cc(Cl)c(C(c2c(Cl)cc(Cl)c(OCC(=O)O)c2Cl)C(Cl)(Cl)Cl)c1Cl"	0	""	""	1	1	"402642"	NA
"716823"	716823	"11-(4-Methoxyanilino)-4,5-dimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one"	"COc1ccc(NC2=NN3C(=Nc4sc(C)c(C)c4C3=O)S2)cc1"	0	""	""	1	1	"402648"	NA
"716825"	716825	"13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one"	"Cc1cccc(NC2=NN3C(=Nc4sc5CCCCc5c4C3=O)S2)c1"	0	""	""	1	1	"402650"	NA
"716830"	716830	"CBMicro_015774"	"CSC1=Nc2ccccc2C(=O)N1c3cccc(C)c3"	0	""	""	1	1	"402655"	NA
"716845"	716845	"6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine"	"Nc1c2c(CCCc3ccccc23)nc4ccccc14"	0	""	""	1	1	"402658"	NA
"716846"	716846	"6,7-difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine"	"Nc1c2CCCc2nc3cc(F)c(F)cc13"	0	""	""	1	1	"402659"	NA
"716847"	716847	"5,6-Dihydrobenzo[c]acridin-7-amine"	"Nc1c2CCc3ccccc3c2nc4ccccc14"	0	""	""	1	1	"402660"	NA
"716853"	716853	"STL332113"	"C(Nc1c2CCCc2nc3ccccc13)c4ccccc4"	0	""	""	1	1	"402667"	NA
"716857"	716857	"5h-benzocyclohepten-5-one, 3,6,6,9-tetrabromo-6,7,8,9-te..."	"COc1c(Br)cc2C(=O)C(Br)(Br)CCC(Br)c2c1OC"	0	""	""	2	2	"402671"	NA
"716860"	716860	"4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one"	"CCCN1C(=O)CCC2=C1CCc3c(Cl)c(Cl)ccc23"	0	""	""	1	1	"402674"	NA
"716874"	716874	"AN-975/13809008"	"ClC(=C)CN1c2ccccc2C=Cc3ccccc13"	0	""	""	1	1	"402688"	NA
"716878"	716878	"(4R)-4-(4-chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	"Fc1cc(C2=C[C@@H](NC(=S)N2)c3ccc(Cl)cc3)c(Cl)cc1Cl"	0	""	""	1	1	"5472190"	NA
"716880"	716880	"(4R)-4-(1,3-benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	"Fc1cc(C2=C[C@@H](NC(=S)N2)c3ccc4OCOc4c3)c(Cl)cc1Cl"	0	""	""	1	1	"5472192"	NA
"716881"	716881	"(2Z,5R)-5-(4-chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"Fc1cc(C2=C[C@@H](N3C(=N2)S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)c6ccc(Cl)cc6)c(Cl)cc1Cl"	0	""	""	1	1	"5472193"	NA
"716882"	716882	"(2Z,5R)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"COc1ccc(cc1)[C@H]2C=C(N=C3S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C(=O)N23)c6cc(F)c(Cl)cc6Cl"	0	""	""	1	1	"5472194"	NA
"716883"	716883	"(2Z,5R)-5-(1,3-benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"Fc1cc(C2=C[C@@H](N3C(=N2)S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)c6ccc7OCOc7c6)c(Cl)cc1Cl"	0	""	""	1	1	"5472195"	NA
"716884"	716884	"(2Z,5R)-5-(4-chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"[O-][N+](=O)c1oc(\C=C\2/SC3=NC(=C[C@@H](N3C2=O)c4ccc(Cl)cc4)c5cc(F)c(Cl)cc5Cl)cc1"	0	""	""	1	1	"5472196"	NA
"716885"	716885	"(2Z,5R)-5-(1,3-benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"[O-][N+](=O)c1oc(\C=C\2/SC3=NC(=C[C@@H](N3C2=O)c4ccc5OCOc5c4)c6cc(F)c(Cl)cc6Cl)cc1"	0	""	""	1	1	"5472197"	NA
"716887"	716887	"4-amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione"	"CC(C)(C)c1cc(OCc2nnc(S)n2N)c(Cl)cc1OCc3nnc(S)n3N"	0	""	""	1	1	"5472199"	NA
"716893"	716893	"3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nnc3sc(nn23)c4ccc(Cl)cc4)c(Cl)cc1OCc5nnc6sc(nn56)c7ccc(Cl)cc7"	0	""	""	1	1	"402705"	NA
"716894"	716894	"6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nnc3sc(Cc4ccccc4)nn23)c(Cl)cc1OCc5nnc6sc(Cc7ccccc7)nn56"	0	""	""	1	1	"402706"	NA
"716899"	716899	"3-[[2,5-dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione"	"Sc1nn2c(COc3cc(Cl)c(OCc4nnc5sc(S)nn45)cc3Cl)nnc2s1"	0	""	""	1	1	"5472203"	NA
"716900"	716900	"4-amino-3-[[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]methyl]-1H-1,2,4-triazole-5-thione"	"Nn1c(S)nnc1COc2cccc(OCc3nnc(S)n3N)c2"	0	""	""	1	1	"5472204"	NA
"716902"	716902	"3-[[3-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione"	"Sc1nn2c(COc3cccc(OCc4nnc5sc(S)nn45)c3)nnc2s1"	0	""	""	1	1	"5472205"	NA
"716906"	716906	"6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCCc1nnc2sc(COc3ccc(OCc4nn5c(CCC)nnc5s4)c(Cl)c3)nn12"	0	""	""	1	1	"402718"	NA
"716907"	716907	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Clc1cc(OCc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)cc1OCc5nn6c(Cc7ccccc7)nnc6s5"	0	""	""	1	1	"402719"	NA
"716908"	716908	"6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCCc1nnc2sc(COc3cc(Cl)c(OCc4nn5c(CCC)nnc5s4)cc3Cl)nn12"	0	""	""	1	1	"402720"	NA
"716909"	716909	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)cc1OCc5nn6c(Cc7ccccc7)nnc6s5"	0	""	""	1	1	"402721"	NA
"716914"	716914	"Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate"	"COC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	"402726"	NA
"716915"	716915	"Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate"	"CCC(C)C(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C2CCCN2C(=O)c3oc(cc3)c4ccc(Cl)cc4Cl)C(=O)OC"	0	""	""	1	1	"402727"	NA
"716937"	716937	"4-chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2nc(cs2)c3ccc(cc3)N4C(SC(C)C4=O)c5ccccc5O"	0	""	""	1	1	"402743"	NA
"716942"	716942	"N-[4-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide"	"COc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(=O)\C(=C\c5ccccc5)\N=C4c6ccccc6"	0	""	""	1	1	"5472208"	NA
"716945"	716945	"3-chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(=O)\C(=C\c5cccs5)\N=C4c6ccccc6"	0	""	""	1	1	"5472211"	NA
"716951"	716951	"2-[4-[[2-(2,4-dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole"	"[O-][N+](=O)c1ccc(NNN=Nc2ccc(cc2)c3nc4ccccc4[nH]3)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"6712853"	NA
"716953"	716953	"5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one"	"O=C1C(NC(=S)N1c2ccccc2)N=Nc3ccc(cc3)c4oc5ccccc5n4"	0	""	""	1	1	"5472216"	NA
"716954"	716954	"5-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one"	"O=C1C(NC(=S)N1c2ccccc2)N=Nc3ccc(cc3)c4nc5ccccc5[nH]4"	0	""	""	1	1	"5472217"	NA
"716966"	716966	"[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2N=C(Cc3ccccc3)C(=S)NC2=S"	0	""	""	1	1	"5472225"	NA
"716970"	716970	"1h-indole-2-carboxamide, n-[4-amino-1-(2-chloroethyl)-2-..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc3cc(N)c4ccccc4c3CCCl"	0	""	""	2	2	"9825161"	"413577169"
"716981"	716981	"4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione"	"O=C1SSC2=C1NC3=C(SSC3=O)S2"	0	""	""	1	1	"402774"	NA
"716982"	716982	"7-Benzyl-3,4,10,11-tetrathia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6)-diene-5,9-dithione"	"S=C1SSc2c3SSC(=S)c3n(Cc4ccccc4)c12"	0	""	""	1	1	"402775"	NA
"716983"	716983	"N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide"	"ClC1=C(N(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)C4=C(Cl)SSC4=O)C(=O)SS1"	0	""	""	1	1	"402776"	NA
"716984"	716984	"C6HCl2NO2S4"	"ClC1=C(NC2=C(Cl)SSC2=O)C(=O)SS1"	0	""	""	2	2	"402777"	NA
"716993"	716993	"4-piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, ace..."	"Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O"	0	NA	NA	3	2	"440806299"	NA
"716997"	716997	"Mappain"	"CC(=CCC\C(=C\Cc1cc(\C=C\c2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O)\C)C"	0	""	""	1	1	"5472227"	NA
"717038"	717038	"2-[5-benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide"	"NC(=O)C(N1OC2C(C1c3cccc(Oc4ccc(Cl)cc4)c3)C(=O)N(Cc5ccccc5)C2=O)c6ccccc6"	0	""	""	1	1	"402787"	NA
"717040"	717040	"2-[5-(4-bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide"	"Cc1ccc2nc3ccccc3c(C4C5C(ON4C(C(=O)N)c6ccccc6)C(=O)N(C5=O)c7ccc(Br)cc7Cl)c2c1"	0	""	""	1	1	"402789"	NA
"717042"	717042	"2-[4-[[5-(4-methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide"	"COc1ccc(cc1)N2C(=O)C3ON(Cc4ccc(CC(=O)N)cc4)C(C3C2=O)c5c6ccccc6c(C)c7ccccc57"	0	""	""	1	1	"402791"	NA
"717061"	717061	"2-{[(4-Hydroxyphenyl)amino]methyl}benzene-1,4-diol"	"Oc1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	"402810"	NA
"717065"	717065	"tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C=C\c4ccccc4)cc3"	0	""	""	1	1	"54681586"	NA
"717066"	717066	"tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C(=C\c4ccccc4)\c5ccccc5)cc3"	0	""	""	1	1	"54681587"	NA
"717067"	717067	"tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C(=C\c4ccc(Cl)cc4)\c5ccc(Cl)cc5)cc3"	0	""	""	1	1	"54681588"	NA
"717069"	717069	"2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	"CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34"	0	""	""	1	1	"402818"	NA
"717072"	717072	"Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate"	"COC(=O)c1sc2\C(=N\C(C)(C)C)\S\C(=N/C(C)(C)C)\c2c1C(=O)OC"	0	""	""	1	1	"402821"	NA
"717073"	717073	"Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	"COC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OC)C(=O)OC)\C(=N/C(C)(C)C)\SS3)C(=O)OC"	0	""	""	1	1	"402822"	NA
"717079"	717079	"2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone"	"COP(=O)(CC(=O)C1OC(OCc2ccccc2)C(OCc3ccccc3)C(OCc4ccccc4)C1OCc5ccccc5)OC"	0	""	""	1	1	"402827"	NA
"717089"	717089	"(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione"	"CC(=O)O[C@@H]1C[C@]2(C(=O)c3ccccc3)C(=O)C(=O)S[C@]12c4ccccc4"	0	""	""	1	1	"402836"	NA
"717090"	717090	"(1r,5s)-1,7-Diphenyl-5-(phenylcarbonyl)-2-oxabicyclo[3.2.0]hept-6-ene-3,4-dione"	"O=C(c1ccccc1)[C@]23C=C(c4ccccc4)[C@]2(OC(=O)C3=O)c5ccccc5"	0	""	""	1	1	"402837"	NA
"717101"	717101	"6-amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one"	"NC1=Cc2c(nnn2C3OC(COCc4ccccc4)C(OCc5ccccc5)C3OCc6ccccc6)C(=O)N1"	0	""	""	1	1	"135426767"	NA
"717104"	717104	"Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-"	"CN(C)CCNC(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"135436277"	NA
"717110"	717110	"1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one"	"CN1CCN(CC1)c2cc3Nc4cc(O)cc(O)c4C(=O)c3cc2N"	0	""	""	1	1	"5472237"	NA
"717120"	717120	"Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate"	"CCOC(=O)c1ccc(cc1C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	1	1	"45027800"	NA
"717123"	717123	"6-{[2-(Dimethylamino)ethyl]amino}-7h-indeno[2,1-c]quinolin-7-one"	"CN(C)CCNc1nc2ccccc2c3c4ccccc4C(=O)c13"	0	""	""	2	2	"402859"	NA
"717147"	717147	"GNMLNGDFMLEYNR-UHFFFAOYSA-N"	"Nc1ccc(cc1C#N)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"402862"	NA
"717148"	717148	"UZVIEHHFXNOPBW-UHFFFAOYSA-N"	"Nc1ccc(cc1CO)c2nc3cc(F)ccc3s2"	0	""	""	2	2	"402863"	NA
"717154"	717154	"O-(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate"	"COC1OC2COC(OC2C(O)C1OC(=S)c3ccccc3)c4ccccc4"	0	""	""	1	1	"402865"	NA
"717155"	717155	"O-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate"	"COC1OC2COC(OC2C(OC(=S)c3ccccc3)C1O)c4ccccc4"	0	""	""	1	1	"402866"	NA
"717164"	717164	"(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid"	"Nc1nc(N)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccnc2n1"	0	""	""	2	2	"402874"	NA
"717167"	717167	"7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(OC)c(c1)C2CCCc3c2cnc4nc(N)nc(N)c34"	0	""	""	2	2	"402877"	NA
"717189"	717189	"(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one"	"COc1ccc(cc1)N2CN3OC(=O)N(c4ccc(OC)cc4)[C@]3(C2)c5ccccc5"	0	""	""	1	1	"402882"	NA
"717191"	717191	"4,5,13,14-Tetramethoxy-1-phenyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene"	"COc1cc2CN3Cc4cc(OC)c(OC)cc4C(C3)(c5ccccc5)c2cc1OC"	0	""	""	1	1	"402884"	NA
"717200"	717200	"(11E)-11-(4-chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one"	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCl)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"5472243"	NA
"717201"	717201	"(3Z)-3-[(2-chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"Cc1cc2[nH]c(Cl)c(\C=C\3/C(=O)Nc4ccccc34)c2cc1O"	0	""	""	2	2	"5472244"	NA
"717202"	717202	"(3Z)-3-[(2-chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"Oc1ccc2[nH]c(Cl)c(\C=C\3/C(=O)Nc4ccccc34)c2c1"	0	""	""	2	2	"5472245"	NA
"717205"	717205	"NH125"	"CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C"	0	""	""	2	2	"10436839"	NA
"717208"	717208	"3-(4-Chlorophenyl)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(I)c1O)C2SCC(=O)N2c3ccc(Cl)cc3"	0	""	""	2	2	"402891"	NA
"717210"	717210	"1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one"	"COc1cc(cc(I)c1O)C2C(Cl)C(=O)N2c3ccc(Br)cc3"	0	""	""	1	1	"402893"	NA
"717218"	717218	"4-chloro-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol"	"Oc1ccc(Cl)cc1C2=Nn3c(COc4ccc5CCCCc5c4)nnc3SC2"	0	""	""	1	1	"402901"	NA
"717224"	717224	"Isostrychnopentamine A trihydrochloride"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	2	1	"54611556"	NA
"717227"	717227	"2-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole"	"CC1(C)COC(=N1)\C=C\C2=NC(C)(C)CO2"	0	""	""	1	1	"5472250"	NA
"717228"	717228	"Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate"	"CCCCN1CN2C(=O)C(C(=O)OCC)C(=O)c3sc4nc(SC)nc1c4c23"	0	""	""	1	1	"402906"	NA
"717230"	717230	"N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine"	"COc1nc(Cl)nc(N[C@H](C)c2c3ccccc3cc4ccccc24)n1"	0	""	""	1	1	"402908"	NA
"717234"	717234	"(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=N\N2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4"	0	""	""	1	1	"135436278"	NA
"717241"	717241	"(3'aR,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]"	"CC1(C)N=C(SC12S[C@@H]3CCCC[C@H]3S2)c4ccccc4"	0	""	""	1	1	"402919"	NA
"717356"	717356	"5-[2-(2,5-dimethoxyphenyl)acetyl]-2-hydroxyphenyl]-~n-[2..."	"COc1ccc(OC)c(CC(=O)c2ccc(O)c(c2)C(=O)NCCc3ccc(F)cc3)c1"	0	""	""	1	1	"402948"	NA
"717365"	717365	"STL253119"	"CN1N(C(=O)C(=C1C)\N=C\C=C\c2ccccc2)c3ccccc3"	0	""	""	1	1	"1550644"	NA
"717371"	717371	"3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	"CN1N(C(=O)C(=C1C)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O)c5ccccc5"	0	""	""	1	1	"402963"	NA
"717447"	717447	"ChemDiv1_017738"	"Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)Oc4ccccc4)cc1C"	0	""	""	1	1	"402974"	NA
"717468"	717468	"STK673166"	"COc1ccc(cc1)c2cn3c4ccc(C)cc4sc3n2"	0	""	""	1	1	"402995"	NA
"717477"	717477	"STK755769"	"C(Sc1nnc(c2ccccc2)n1c3ccccc3)c4c[nH]c5ccccc45"	0	""	""	1	1	"403004"	NA
"717478"	717478	"STK673269"	"CCCCCCCC(=O)N\N=C\c1ccc(Sc2nccn2C)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572482"	NA
"717481"	717481	"STK755838"	"Cc1sc2ncnc(NCCc3ccccc3)c2c1C"	0	""	""	1	1	"403008"	NA
"717482"	717482	"CBMicro_023391"	"COc1cccc(Nc2nc(C)c(c(Nc3cccc(OC)c3)n2)[N+](=O)[O-])c1"	0	""	""	1	1	"403009"	NA
"717486"	717486	"STK093861"	"CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14"	0	""	""	1	1	"403013"	NA
"717487"	717487	"STK755898"	"Cc1nc(C)c(CC=C)c(N\N=C\C=C\c2ccccc2)n1"	0	""	""	1	1	"1550654"	NA
"717489"	717489	"STK755911"	"FC(F)(F)C1=NN(C(=O)C1\C=N\CCc2c[nH]c3ccccc23)c4nc5ccccc5s4"	0	""	""	1	1	"403016"	NA
"717492"	717492	"STK755939"	"CCOc1cc(ccc1O)c2nc3ccccn3c2\N=C\c4cc(Br)ccc4O"	0	""	""	1	1	"135436282"	NA
"717499"	717499	"STK711315"	"O=C(CSc1ncccn1)N\N=C\c2ccccc2OCc3ccccc3"	0	""	""	1	1	"6877444"	NA
"717514"	717514	"STK673452"	"Cn1ccnc1Sc2ccc(\C=N\NC(=O)c3ccccc3O)cc2[N+](=O)[O-]"	0	""	""	1	1	"9552577"	NA
"717517"	717517	"STK756244"	"CSc1c(CC(=O)Nc2ccc(Cl)cc2)n(Cc3ccccc3)c4ccccc14"	0	""	""	1	1	"403045"	NA
"717519"	717519	"STK756286"	"CC(Sc1nc(C)cc(C)n1)C(=O)N\N=C\c2ccc(OCc3ccccc3)cc2"	0	""	""	1	1	"9572485"	NA
"717530"	717530	"STK365136"	"Clc1ccc(Cn2cc(\C=N\n3cnnc3)c4ccccc24)cc1"	0	""	""	1	1	"6858424"	NA
"717532"	717532	"STK756417"	"C=CCc1ccccc1OCC(=O)N\N=C\c2c[nH]c3ccccc23"	0	""	""	2	2	"135436287"	NA
"717535"	717535	"ChemDiv1_017832"	"Cc1ccc(C)c(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)c1"	0	""	""	1	1	"403063"	NA
"717538"	717538	"STK756494"	"CC(C)c1ccc(C)cc1OCC(=O)N\N=C\c2c[nH]c3ccc(Br)cc23"	0	""	""	1	1	"135436288"	NA
"717539"	717539	"ChemDiv1_019916"	"CC1(C)CC(=O)C2=C(C1)c3c(NC2c4cn(Cc5ccc(Cl)cc5)c6ccccc46)ccc7ccccc37"	0	""	""	1	1	"403068"	NA
"717543"	717543	"Cambridge id 5657689"	"Nc1c(C#N)c(nn1c2ccccc2)\C(=C\c3cn(Cc4ccccc4)c5ccccc35)\C#N"	0	""	""	1	1	"5286855"	NA
"717553"	717553	"ChemDivAM_000505"	"Fc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c5ccc6OCOc6c5)c1F"	0	""	""	1	1	"403081"	NA
"717556"	717556	"STK756791"	"Fc1c(F)c(c(F)c(F)c1N\N=C\c2cn(Cc3ccccc3)c4ccccc24)C(F)(F)F"	0	""	""	1	1	"5341790"	NA
"717557"	717557	"STK231324"	"CCOC(=O)c1ccc2nc(NC(=O)COC(=O)CSc3nc(C)cc(C)n3)sc2c1"	0	""	""	1	1	"403085"	NA
"717560"	717560	"TCMDC-124122"	"CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(O)cc14"	0	""	""	1	1	"403088"	NA
"717561"	717561	"C28H28BrN3O3"	"CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3)n(c4ccccc4)c5cc(Br)c(O)cc15"	0	""	""	1	1	"403089"	NA
"717563"	717563	"STK673848"	"Cn1c2ccccc2n3c(N=O)c(nc13)c4ccccc4"	0	""	""	1	1	"403091"	NA
"717566"	717566	"STK673880"	"Cn1ccnc1Sc2ccc(\C=N\c3ccc4nc(SCC(=O)NC5CCCCC5)sc4c3)cc2[N+](=O)[O-]"	0	""	""	1	1	"403094"	NA
"717569"	717569	"3-({[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-indole"	"Cn1c(SCc2c[nH]c3ccccc23)nnc1c4ccc(Cl)cc4Cl"	0	""	""	1	1	"403097"	NA
"717571"	717571	"ChemDiv1_011311"	"CCOc1ccc(cc1)C2N(CCc3c2[nH]c4ccccc34)C(=O)c5cccs5"	0	""	""	1	1	"403099"	NA
"717572"	717572	"1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone"	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccc(cc4)c5cccs5"	0	""	""	1	1	"403100"	NA
"717694"	717694	"oligomycin a"	"CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](CC(C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	"5472285"	"579135"
"717695"	717695	"oligomycin b"	"CC[C@H]1CC[C@H]2O[C@]3(O[C@H](CC(C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	"5472286"	"11050945"
"717696"	717696	"oligomycin c"	"CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](CC(C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	"5472287"	"11052725"
"717703"	717703	"2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole"	"Clc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	"403116"	NA
"717705"	717705	"methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoate"	"COC(=O)C[C@H](CCSC)NC(=O)C[C@H](CCSC)NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C"	0	""	""	1	1	"403118"	NA
"717707"	717707	"(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione"	"O=C1C[C@H](COCc2ccccc2)NC(=O)C[C@H](COCc3ccccc3)NC(=O)C[C@H](COCc4ccccc4)N1"	0	""	""	1	1	"403120"	NA
"717708"	717708	"Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate"	"COC(=O)C[C@H](COCc1ccccc1)NC(=O)C[C@H](COCc2ccccc2)NC(=O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	"403121"	NA
"717710"	717710	"benzyl 3-[(2S,6S,10S)-4,8,12-trioxo-6,10-bis(3-oxo-3-phenylmethoxypropyl)-1,5,9-triazacyclododec-2-yl]propanoate"	"O=C(CC[C@H]1CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)CC(=O)N[C@@H](CCC(=O)OCc3ccccc3)CC(=O)N1)OCc4ccccc4"	0	""	""	1	1	"403123"	NA
"717766"	717766	"{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}acetic acid"	"OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	"403129"	NA
"717768"	717768	"3-{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}propanamide"	"NC(=O)CCSC(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	"403131"	NA
"717800"	717800	"(3E,5E,9E)-6,10,12-trimethyltrideca-3,5,9-trien-2-one"	"CC(C)C\C(=C\CC\C(=C\C=C\C(=O)C)\C)\C"	0	""	""	1	1	"5472294"	NA
"717810"	717810	"Isoindigotin"	"O=C1Nc2ccccc2/C/1=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	"164610"	NA
"717812"	717812	"2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one"	"O=C1N(c2ccccc2)c3ccccc3/C/1=C\4/Nc5ccccc5C4=O"	0	""	""	1	1	"403161"	NA
"717814"	717814	"A05-A4B1-I"	"Fc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403163"	NA
"717815"	717815	"A05-A5B1-I"	"Clc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	2	2	"403164"	NA
"717816"	717816	"5'-Iodoindirubin"	"Ic1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	2	2	"124286"	NA
"717817"	717817	"UNM-0000305770"	"Brc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403165"	NA
"717818"	717818	"A05-A1B2-I"	"Brc1ccc2N\C(=C\3/C(=O)Nc4ccccc34)\C(=O)c2c1"	0	""	""	1	1	"403166"	NA
"717819"	717819	"5-bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one"	"Brc1ccc2N\C(=C\3/C(=O)Nc4ccc(Br)cc34)\C(=O)c2c1"	0	""	""	1	1	"403167"	NA
"717822"	717822	"2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide"	"CNS(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403169"	NA
"717823"	717823	"Indirubin derivative, 8"	"CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403170"	NA
"717824"	717824	"Indirubin derivative, 33"	"OCCNS(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403171"	NA
"717825"	717825	"2-hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide"	"OCCN(CCO)S(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403172"	NA
"717826"	717826	"2-(5-ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one"	"CCc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403173"	NA
"717827"	717827	"2-(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one"	"CC(C)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403174"	NA
"717828"	717828	"2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid"	"OC(=O)Cc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	"403175"	NA
"717829"	717829	"indirubin-3'-oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	"3707"	NA
"717830"	717830	"K00192"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(I)cc23)/Nc4ccccc14"	0	""	""	2	2	"403176"	NA
"717831"	717831	"5-ethyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol"	"CCc1ccc2NC(=O)\C(=C/3\C(\c4c(N3)cccc4)=N/O)\c2c1"	0	""	""	1	1	"403177"	NA
"717832"	717832	"3-(3-nitroso-1H-indol-2-yl)-5-propan-2-yl-1H-indol-2-ol"	"CC(C)c1ccc2NC(=O)\C(=C/3\C(\c4c(N3)cccc4)=N/O)\c2c1"	0	""	""	1	1	"403178"	NA
"717833"	717833	"3-[(3Z)-3-(2-hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol"	"OCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	"135436293"	NA
"717834"	717834	"3-[(3Z)-3-(3-hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol"	"OCCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	"135436294"	NA
"717835"	717835	"E-564"	"OCCOCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	"135436295"	NA
"717836"	717836	"2h-indol-2-one, 1,3-dihydro-3-[1,3-dihydro- 3-[(2-hydrox..."	"CC(C)(O)CO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	"135436296"	NA
"717837"	717837	"ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate"	"CCOC(=O)O\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436297"	NA
"717838"	717838	"ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate"	"CCOC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436298"	NA
"717839"	717839	"sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid"	"OC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436299"	NA
"717840"	717840	"sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid"	"OC(=O)CCO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436300"	NA
"717841"	717841	"[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate"	"CN(C)C(=O)O\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436302"	NA
"717842"	717842	"acetamide, 2-[[[2-(1,2-dihydro-2-oxo-3h-indol-3-ylidene)..."	"NC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	2	2	"135436303"	NA
"717843"	717843	"2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide"	"CN(C)C(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436304"	NA
"717845"	717845	"Wogonin"	"COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	1	1	"5281703"	NA
"717847"	717847	"2-N-(2-aminoethyl)-7-N-benzyl-6-chloro-4-pyrrolidin-1-ylpteridine-2,7-diamine"	"NCCNc1nc(N2CCCC2)c3nc(Cl)c(NCc4ccccc4)nc3n1"	0	""	""	2	1	"403193"	NA
"717851"	717851	"7-pteridinamine, 6-methyl-n-(phenylmethyl)-2-(1-piperazi..."	"Cc1nc2c(nc(nc2nc1NCc3ccccc3)N4CCNCC4)N5CCCC5"	0	""	""	3	1	"403197"	NA
"717855"	717855	"2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}acetamide"	"NC(=O)CN1CCN(CC1)c2nc(N3CCCC3)c4nc(Cl)c(NCc5ccccc5)nc4n2"	0	""	""	1	1	"403200"	NA
"717858"	717858	"2-[[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid"	"OC(=O)CNC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	"135436305"	NA
"717859"	717859	"2-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol"	"OCC1OC(OCCO\N=C/2\C(=C/3\C(=O)Nc4ccccc34)\Nc5ccccc25)C(O)C(O)C1O"	0	""	""	2	2	"135436306"	NA
"717860"	717860	"2-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol"	"OC1COC(OCCO\N=C/2\C(=C/3\C(=O)Nc4ccccc34)\Nc5ccccc25)C(O)C1O"	0	""	""	1	1	"135436307"	NA
"717861"	717861	"3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione"	"OC1=C(CC(=O)C1=O)\C=C\c2occc2"	0	""	""	1	1	"5472316"	NA
"717874"	717874	"potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide"	"[K+].COc1cc(C=[N+]([O-])c2ccccc2Cl)ccc1OC(=S)S"	0	""	""	1	1	"54611676"	NA
"717875"	717875	"potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide"	"[K+].COc1ccc(cc1)[N+](=Cc2ccc(OC(=S)S)c(OC)c2)[O-]"	0	""	""	1	1	"54611677"	NA
"717878"	717878	"5-chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one"	"CCC1=Nc2cc3cccnc3c(Cl)c2NC1=O"	0	""	""	1	1	"403219"	NA
"717879"	717879	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5ccncc5)\[C@@H]2O"	0	""	""	1	1	"5472323"	NA
"717887"	717887	"ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate"	"CCOC(=O)c1c2CCOCc2sc1N\C(=N\c3ccccc3)\S"	0	""	""	1	1	"5472328"	NA
"717889"	717889	"4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	"CN1C(=S)Nc2sc3CSCCc3c2C1=O"	0	""	""	1	1	"5472329"	NA
"717894"	717894	"4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3cc(ccc3CCC2)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	"403235"	NA
"717895"	717895	"14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile"	"[O-][N+](=O)c1ccc2CCCC3=C(NC(=O)C(=C3c4ccccc4)C#N)c2c1"	0	""	""	1	1	"403236"	NA
"717896"	717896	"4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3ccccc3CCC2)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"403237"	NA
"717897"	717897	"6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=O)NC3=C2CCCc4ccccc34"	0	""	""	1	1	"403238"	NA
"717903"	717903	"5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene"	"[O-][N+](=O)c1ccc2CCCC3C(N(N=C3c2c1)c4ccccc4)c5ccccc5Br"	0	""	""	1	1	"403244"	NA
"717950"	717950	"8-chloro-N-isoquinolin-5-yl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4cccc5cnccc45"	0	""	""	1	1	"403249"	NA
"717953"	717953	"2-(8-Chloro-5,5-dioxidoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4(3h)-one"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C4=Nc5ccccc5C(=O)N4c6ccccc6"	0	""	""	1	1	"403252"	NA
"717954"	717954	"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1\C\4=N\c5ccccc5C(=O)N(c6ccccc6)S(=O)(=O)O4"	0	""	""	1	1	"403253"	NA
"717956"	717956	"N-anthracen-2-yl-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4ccc5cc6ccccc6cc5c4"	0	""	""	1	1	"403255"	NA
"717975"	717975	"N-tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine"	"CSc1ncc2C(NC(C)(C)C)Oc3ccccc3c2n1"	0	""	""	1	1	"403280"	NA
"717979"	717979	"2-(Morpholin-4-yl)-5-(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine"	"C1CCN(C1)C2Oc3ccccc3c4nc(ncc24)N5CCOCC5"	0	""	""	1	1	"403284"	NA
"718010"	718010	"1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4-methoxyphenyl)-1-methylurea"	"COc1ccc(NC(=O)N(C)CC2(O)CCC(CC2)C(C)(C)C)cc1"	0	""	""	1	1	"403304"	NA
"718012"	718012	"(1R,4R,5S,6R,7R,8R)-5,7-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol"	"O[C@@H]1CO[C@@H]2O[C@](COCc3ccccc3)([C@H]1OCc4ccccc4)[C@H](OCc5ccccc5)[C@H]2O"	0	""	""	1	1	"403306"	NA
"718028"	718028	"N-(phenoxathiin-2-ylcarbamothioyl)benzamide"	"O=C(NC(=S)Nc1ccc2Oc3ccccc3Sc2c1)c4ccccc4"	0	""	""	1	1	"5472352"	NA
"718125"	718125	"2-[(Phenylamino)methyl]benzene-1,4-diol"	"Oc1ccc(O)c(CNc2ccccc2)c1"	0	""	""	1	1	"403336"	NA
"718126"	718126	"Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate"	"COC(=O)c1cc(ccc1OC)C#Cc2cc(OC)ccc2OC"	0	""	""	1	1	"403337"	NA
"718129"	718129	"5-[n-[(2,5-dimethoxyphenyl)methyl]amino]-n-(hexyl)salicy..."	"CCCCCCNC(=O)c1cc(NCc2cc(OC)ccc2OC)ccc1O"	0	""	""	1	1	"403339"	NA
"718133"	718133	"methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate"	"COC(=O)[C@H](CSSCC(N\C(=C\C(=O)C)\C)C(=O)OC)N\C(=C\C(=O)C)\C"	0	""	""	1	1	"5472356"	NA
"718135"	718135	"2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester"	"CO\N=C(\C(=O)OC)/c1ccccc1COc2cccc(c2)C(F)(F)F"	0	""	""	1	1	"6520817"	NA
"718137"	718137	"2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide"	"Oc1cc(cc(O)c1O)C2=CS\C(=N\S(=O)(=O)c3ccc(Cl)cc3Cl)\N2"	0	""	""	1	1	"403345"	NA
"718144"	718144	"N-[(S)-1-benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide"	"COC(CN(C=O)[C@H](c1oc2ccccc2c1)c3ccc(Cl)cc3)OC"	0	""	""	1	1	"403352"	NA
"718149"	718149	"(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine"	"O\N=C\C(=N/O)\c1ccc2Oc3ccccc3S(=O)(=O)c2c1"	0	""	""	1	1	"135436312"	NA
"718150"	718150	"1,2-Dimethyl-5-phenoxathiin-2-yl-1h-pyrrole"	"Cc1ccc(c2ccc3Oc4ccccc4Sc3c2)n1C"	0	""	""	2	2	"403357"	NA
"718152"	718152	"(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine"	"O\N=C\C(=N/O)\c1ccc2Oc3ccccc3Sc2c1"	0	""	""	1	1	"135436313"	NA
"718153"	718153	"3-[(E)-carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\n2c3ccccc3c4ccccc24)c1O"	0	""	""	1	1	"135436314"	NA
"718154"	718154	"3-[(E)-carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde"	"Oc1cc(C=O)cc(\C=N\n2c3ccccc3c4ccccc24)c1O"	0	""	""	1	1	"135436315"	NA
"718155"	718155	"N-[(E)-(4-nitrophenyl)methylideneamino]phenazine-1-carboxamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc3nc4ccccc4nc23)cc1"	0	""	""	2	2	"9572500"	NA
"718156"	718156	"1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide"	"O=C(N\N=C\c1ccccc1)c2cccc3nc4ccccc4nc23"	0	""	""	2	2	"9572501"	NA
"718157"	718157	"4-[(Z)-hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol"	"COc1cc(\C=N/O)cc(\C=N\O)c1O"	0	""	""	1	1	"135436316"	NA
"718159"	718159	"5-[(Z)-methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol"	"CO\N=C/c1cc(O)c(O)c(\C=N\OC)c1"	0	""	""	1	1	"135436318"	NA
"718160"	718160	"3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\c2ccc(Br)cc2)c1O"	0	""	""	1	1	"403367"	NA
"718161"	718161	"4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide"	"COc1cc(C=O)cc(\C=N\c2ccc(cc2)S(=O)(=O)N)c1O"	0	""	""	1	1	"403368"	NA
"718162"	718162	"4-[(Z)-(dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol"	"COc1cc(\C=N/N(C)C)cc(\C=N\N(C)C)c1O"	0	""	""	1	1	"135436319"	NA
"718163"	718163	"4-hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\N=C\c2ccccc2O)c1O"	0	""	""	1	1	"135436320"	NA
"718165"	718165	"1-O-tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate"	"COC(=O)CC(C1C[C@H](N(C(=O)OC(C)(C)C)C1=O)C(=O)OC)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	"403372"	NA
"718168"	718168	"4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide"	"ONC(=O)CCCCCNC(=O)c1ccc(Cl)cc1"	0	""	""	1	1	"403373"	NA
"718169"	718169	"m344"	"CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO"	0	""	""	2	2	"3994"	NA
"718170"	718170	"M-232"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO"	0	""	""	1	1	"403374"	NA
"718179"	718179	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6ccc(cc6)[N+](=O)[O-])\[C@@H]2O"	0	""	""	1	1	"5472376"	NA
"718182"	718182	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O)[C@@H]3CC=C2C1"	0	""	""	1	1	"9572505"	NA
"718183"	718183	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O"	0	""	""	1	1	"9572506"	NA
"718185"	718185	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1"	0	""	""	1	1	"9572507"	NA
"718191"	718191	"(4e)-4-[(4-Chlorophenyl)imino]-1,5-diphenylpyrrolidin-2-one"	"Clc1ccc(cc1)\N=C/2\CC(=O)N(C2c3ccccc3)c4ccccc4"	0	""	""	1	1	"403390"	NA
"718192"	718192	"(3Z)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione"	"Clc1ccc(cc1)c2c[nH]nc2\C=C/3\C(=O)C(N(C3=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"5472384"	NA
"718199"	718199	"2-(7,8-Dimethoxyquinolin-5-yl)aniline"	"COc1cc(c2ccccc2N)c3cccnc3c1OC"	0	""	""	1	1	"403398"	NA
"718212"	718212	"(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)(2-chloropyridin-3-yl)methanol"	"OC(c1cccnc1Cl)c2nc3ccccc3c4ccnc(Cl)c24"	0	""	""	1	1	"403411"	NA
"718231"	718231	"2-Methyl-1,3-diphenyl-2h-pyrrolo[3,4-b]phenazine"	"Cn1c(c2ccccc2)c3cc4nc5ccccc5nc4cc3c1c6ccccc6"	0	""	""	1	1	"403430"	NA
"718236"	718236	"(6,8-Dichloro-4-methoxyquinazolin-7-yl)(phenyl)methanol"	"COc1ncnc2c(Cl)c(C(O)c3ccccc3)c(Cl)cc12"	0	""	""	1	1	"403435"	NA
"718303"	718303	"3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	"COc1ccc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)cc1"	0	""	""	1	1	"5472388"	NA
"718305"	718305	"3-[[3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide"	"COc1cc(cc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)c1OC)C(=O)N"	0	""	""	1	1	"5472390"	NA
"718306"	718306	"N-[2,3-dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	"CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)c(OC)c(OC)c1"	0	""	""	1	1	"5472391"	NA
"718308"	718308	"{(3s,4s,5r)-3,4,5-Tris(benzyloxy)-3-[(benzyloxy)methyl]cyclopent-1-en-1-yl}methanol"	"OCC1=C[C@@](COCc2ccccc2)(OCc3ccccc3)[C@@H](OCc4ccccc4)[C@@H]1OCc5ccccc5"	0	""	""	1	1	"403445"	NA
"718319"	718319	"3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-benzo[h]chromen-2-one"	"O=C1Oc2c(C=C1C3=CSC4=NCCN34)ccc5ccccc25"	0	""	""	1	1	"403452"	NA
"718323"	718323	"STK700086"	"O=C1Oc2ccc3ccccc3c2C=C1c4cn5ccsc5n4"	0	""	""	1	1	"403456"	NA
"718355"	718355	"N-[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide"	"Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(c1)C(=O)NNC(=O)c5ccc(Cl)cc5"	0	""	""	1	1	"403458"	NA
"718358"	718358	"N-[4-bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide"	"COc1cc(cc(OC)c1OC)C(=O)NNC(=O)c2cc(Br)ccc2NC(=O)c3cccs3"	0	""	""	1	1	"403461"	NA
"718359"	718359	"N-[2-(hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide"	"NNC(=O)c1cc(ccc1NC(=O)C23CC4CC(CC(C4)C2)C3)[N+](=O)[O-]"	0	""	""	1	1	"5472393"	NA
"718368"	718368	"6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide"	"[I-].[I-].CCCCC1Cc2cc(OC)ccc2c3[n+](C)c4cc(OC)ccc4n13.CCCCC5Cc6cc(OC)ccc6c7[n+](C)c8ccc(OC)cc8n57"	0	""	""	2	2	"403469"	NA
"718370"	718370	"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide"	"[I-].[I-].CCCCC1Cc2cc(O)ccc2c3[n+](C)c4cc(O)ccc4n13.CCCCC5Cc6cc(O)ccc6c7[n+](C)c8ccc(O)cc8n57"	0	""	""	2	2	"403475"	NA
"718377"	718377	""	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	1	1	"534646"	NA
"718378"	718378	""	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	1	1	"534647"	NA
"718379"	718379	"(5aR,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)c5ccc(cc5)c6ccc(N[C@H]7[C@H]8COC(=O)[C@@H]8Cc9c7cc%10OCOc%10c9c%11cc(OC)c(O)c(OC)c%11)cc6)c%12cc%13OCOc%13cc2%12"	0	""	""	1	1	"403478"	NA
"718380"	718380	"(5aR,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc5c(Cc6cc(N[C@H]7[C@H]8COC(=O)[C@@H]8Cc9c7cc%10OCOc%10c9c%11cc(OC)c(O)c(OC)c%11)ccc56)c4)c%12cc%13OCOc%13cc2%12"	0	""	""	1	1	"403479"	NA
"718381"	718381	"3-[4-[3-chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one"	"SC1=Nc2ccccc2C(=O)N1c3ccc(cc3)N4C(C(Cl)C4=O)c5cccc(Cl)c5"	0	""	""	1	1	"5472397"	NA
"718383"	718383	"3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	"OS(=O)(=O)c1ccc2N=C(COc3ccc(Oc4ccc(Cl)cc4Cl)cc3)N(C(=O)c2c1)c5ccc(Oc6ccc(Cl)cc6)cc5Cl"	0	""	""	1	1	"403482"	NA
"718385"	718385	"1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one"	"Oc1c(Cl)cc(Br)c(Cl)c1N2C(C(Cl)C2=O)c3cccc(Br)c3"	0	""	""	1	1	"403484"	NA
"718388"	718388	"3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	"OS(=O)(=O)c1ccc2N=C(COc3ccc(Oc4ccc(Cl)cc4Cl)cc3)N(C(=S)Nc5ccc(Cl)cc5)C(=O)c2c1"	0	""	""	1	1	"5472400"	NA
"718504"	718504	"ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)CCc1c(C)c(\C=C\2/NC(=O)C(=C2CC)C)[nH]c1C(=O)OCC"	0	""	""	1	1	"6520746"	NA
"718505"	718505	"(4S,9S)-11-(4-chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol"	"OC1(N2[C@H]3CCCC[C@@H]3N=C2c4c1ccc5ccccc45)c6ccc(Cl)cc6"	0	""	""	1	1	"403505"	NA
"718507"	718507	"15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),7,10-tetraen-15-ol"	"OC1(N2CCN=C2c3ccc4OCOc4c13)c5ccc(Cl)cc5"	0	""	""	1	1	"403507"	NA
"718509"	718509	"20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol"	"OC1(N2CCN=C2c3c1c4ccccc4c5ccccc35)c6ccc(Cl)cc6"	0	""	""	1	1	"403509"	NA
"718510"	718510	"GNF-PF-2664"	"OC1(N2CCN=C2c3c1c4ccccc4c5ccccc35)c6ccc7ccccc7c6"	0	""	""	2	1	"403510"	NA
"718512"	718512	"5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol"	"OC1(N2CCN=C2c3cc(CN4CCCC4)ccc13)c5ccc(Cl)cc5"	0	""	""	1	1	"403512"	NA
"718518"	718518	"(4S,9S)-2-(4-chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one"	"Clc1ccc(cc1)C23N[C@H]4CCCC[C@@H]4N2C(=O)c5cc6ccccc6cc35"	0	""	""	1	1	"403517"	NA
"718530"	718530	"Ethyl 1,6-dimethyl-4,7-dioxo-2-phenyl-4,7-dihydro-1h-indole-3-carboxylate"	"CCOC(=O)c1c2C(=O)C=C(C)C(=O)c2n(C)c1c3ccccc3"	0	""	""	2	1	"403520"	NA
"718532"	718532	"2-(Aziridin-1-yl)ethoxy-triphenylsilane;boron"	"B.C(CN1CC1)O[Si](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"6331752"	NA
"718544"	718544	"Methyl 2-oxo-6-oxa-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate"	"COC(=O)c1oc2c(c1)C(=O)c3nc4ccccc4c5ccnc2c35"	0	""	""	1	1	"46854647"	NA
"718545"	718545	"3-(2-Aminophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-one"	"Nc1ccccc1C#CC(=O)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	"403529"	NA
"718548"	718548	"3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one"	"CC1=C(C)CC2(SC1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	"403532"	NA
"718553"	718553	"Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester"	"COc1ccc(C=O)cc1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	1	"403537"	NA
"718555"	718555	"2,6-Dihexyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide"	"CCCCCCN1C(=O)CC(=O)N(CCCCCC)S1(=O)=O"	0	""	""	1	1	"403539"	NA
"718564"	718564	"N,N,2-trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine"	"CN(C)c1cc2c3ccccc3[nH]c2c(C)c4cccc14"	0	""	""	1	1	"403544"	NA
"718565"	718565	"(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone"	"Cc1c2cccc2ccc3c4ccccc4n(C(=O)c5ccc(Cl)cc5)c13"	0	""	""	2	2	"403545"	NA
"718567"	718567	"16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9,11,13,15-octaene-5,8-diol"	"Cc1oc2c3ccc(O)cc3c(O)cc2c4cccc14"	0	""	""	1	1	"403547"	NA
"718571"	718571	"Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate"	"CC(C)(C)OC(=O)n1cc(C2CN(O)C(=O)C23CCC(=O)N3Cc4ccccc4)c5ccccc15"	0	""	""	1	1	"403551"	NA
"718578"	718578	"N-[2-[2-(2H-benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide"	"CN(CCNC(=O)c1n[nH]c2c1ccc3ccccc23)CCNC(=O)c4n[nH]c5c4ccc6ccccc56"	0	""	""	2	2	"403554"	NA
"718579"	718579	"2-methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide"	"CN(CCCNC(=O)c1c2ccc3ccccc3c2nn1C)CCCNC(=O)c4c5ccc6ccccc6c5nn4C"	0	""	""	2	1	"403555"	NA
"718581"	718581	"15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(ccc5ccccc45)c13"	0	""	""	1	1	"135426789"	NA
"718582"	718582	"14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"O=C1NN=Cc2[nH]c3c(CCCc4ccccc34)c12"	0	""	""	1	1	"135426790"	NA
"718583"	718583	"16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(CCCc5ccccc45)c13"	0	""	""	1	1	"135426791"	NA
"718587"	718587	"N-ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine"	"CCNC1(OC(C)(C)c2cccc3cccc1c23)c4cccc(C)c4"	0	""	""	1	1	"403563"	NA
"718588"	718588	"1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine"	"Cc1ccc(cc1)C2(OC(C)(C)c3cccc4cccc2c34)N5CCCC5"	0	""	""	1	1	"403564"	NA
"718591"	718591	"tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate"	"CC(C)(C)OC(=O)N1[C@H]2CC[C@@]3(C)C(CC=C3c4cccnc4)[C@@H]2CC=C1c5cccnc5"	0	""	""	1	1	"403567"	NA
"718630"	718630	"2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	"COC1=CC(=O)c2c(cc(COP(=O)(N(C)CCBr)N(C)CCBr)n2C)C1=O"	0	""	""	2	2	"403577"	NA
"718631"	718631	"3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	"COC1=CC(=O)c2c(C1=O)c(COP(=O)(N(C)CCBr)N(C)CCBr)cn2C"	0	""	""	2	2	"403578"	NA
"718634"	718634	"1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3cc(ccn3)C(F)(F)F)c4cc(Br)ccc24"	0	""	""	1	1	"403581"	NA
"718637"	718637	"(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one"	"CC1S\C(=N/N=C/2\C(=O)Nc3ccc(Br)cc23)\N(C4CCCCC4)C1=O"	0	""	""	1	1	"135436322"	NA
"718640"	718640	"1-methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"CNC(=S)N\N=C\1/C(=O)N(CN2CCOCC2)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	"135426794"	NA
"718645"	718645	"2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide"	"Fc1ccc2NC(=O)\C(=N/NC(=O)CSC3=Nc4ccc(Cl)cc4C(=O)N3c5ccccc5)\c2c1"	0	""	""	2	2	"403592"	NA
"718649"	718649	"4-[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide"	"O=C1N(C(=N/C/1=C\c2ccc(Oc3ccccc3)cc2)c4ccccc4)c5ccc(cc5)S(=O)(=O)Nc6nccs6"	0	""	""	1	1	"5472414"	NA
"718654"	718654	"4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)N2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4)c5ccccc5"	0	""	""	1	1	"5472419"	NA
"718660"	718660	"4-[3-chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)N2C(\C=C\c3ccccc3)C(Cl)C2=O)c4ccccc4"	0	""	""	1	1	"5472423"	NA
"718662"	718662	"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate"	"CCOC(=O)CCC(C(=O)OCC)n1nc2ccc(Nc3c(C)[n+]([O-])c4ccc(Cl)cc4[n+]3[O-])cc2n1"	0	""	""	1	1	"135426796"	NA
"718675"	718675	"4-benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1h-..."	"CSc1nc(NCc2ccccc2)c3cnn(COCCO)c3n1"	0	""	""	1	1	"403619"	NA
"718688"	718688	"2-Methoxy-3-{[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl]sulfonyl}benzoic acid"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5cccc(C(=O)O)c5OC"	0	""	""	1	1	"403620"	NA
"718689"	718689	"(E)-3-[4-[[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5ccc(\C=C\C(=O)O)cc5"	0	""	""	1	1	"5472424"	NA
"718690"	718690	"2-[(4-Chlorophenyl)sulfonyl]-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazole"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5ccc(Cl)cc5"	0	""	""	1	1	"403622"	NA
"718695"	718695	"2,7-bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one"	"Clc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4nc5ccccc5[nH]4)c6nc7ccccc7[nH]6"	0	""	""	1	1	"5472425"	NA
"718696"	718696	"2,7-bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one"	"CSc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4nc5ccccc5[nH]4)c6nc7ccccc7[nH]6"	0	""	""	1	1	"5472426"	NA
"718700"	718700	"4-(2-chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one"	"Cc1nn(c2NC(=O)NC(c3cc4ccccc4nc3Cl)c12)c5ccccc5"	0	""	""	1	1	"403632"	NA
"718701"	718701	"5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole"	"Clc1ccc(cc1)C2=NNC(C2)c3cccc(Cl)c3"	0	""	""	1	1	"403633"	NA
"718702"	718702	"2-[5-(3-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)C2=NNC(C2)c3cccc(Cl)c3"	0	""	""	1	1	"403634"	NA
"718703"	718703	"1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CC(=O)N1N=C(CC1c2cccc(Cl)c2)c3cc(C)ccc3O"	0	""	""	1	1	"403635"	NA
"718707"	718707	"Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate"	"CCOC(=O)C1C(CC(=CC1=O)c2cc(C)ccc2O)c3cccc(Cl)c3"	0	""	""	1	1	"403639"	NA
"718709"	718709	"4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one"	"Cc1ccc(O)c(c1)C2=CC3=NNC(=O)C3C(C2)c4cccc(Cl)c4"	0	""	""	1	1	"403641"	NA
"718710"	718710	"Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-"	"Clc1ccc(Cc2nc3ccccc3nc2c4cccc(Cl)c4)cc1"	0	""	""	1	1	"403642"	NA
"718713"	718713	"2-[2-amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)C2=CC(SC(=N)N2)c3cccc(Cl)c3"	0	""	""	1	1	"403645"	NA
"718716"	718716	"2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile"	"Nc1nc(cc(c2cccc(Br)c2)c1C#N)c3ccc(Cl)cc3"	0	""	""	1	1	"403648"	NA
"718717"	718717	"2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile"	"Cc1ccc(O)c(c1)c2cc(c3cccc(Br)c3)c(C#N)c(N)n2"	0	""	""	1	1	"403649"	NA
"718718"	718718	"Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate"	"CCOC(=O)C1C(CC(=CC1=O)c2cc(C)ccc2O)c3cccc(Br)c3"	0	""	""	1	1	"403650"	NA
"718719"	718719	"4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one"	"Clc1ccc(cc1)C2=CC3=NNC(=O)C3C(C2)c4cccc(Br)c4"	0	""	""	1	1	"403651"	NA
"718721"	718721	"2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline"	"Clc1ccc(Cc2nc3ccccc3nc2c4cccc(Br)c4)cc1"	0	""	""	1	1	"403653"	NA
"718727"	718727	"5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxyphenyl-n-hex..."	"CCCCCCNC(=O)c1cc(ccc1OC)C#Cc2cc(OC)ccc2OC"	0	""	""	1	1	"403659"	NA
"718728"	718728	"5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxyphenyl-n- [2..."	"COc1ccc(OC)c(c1)C#Cc2ccc(OC)c(c2)C(=O)NCCc3ccc(F)cc3"	0	""	""	1	1	"403660"	NA
"718729"	718729	"cyclopent-4-ene-1,3-dione, 2-[[4-hydroxy-3,5-bis(1,1-dim..."	"CC(C)(C)c1cc(C=C2C(=O)C=CC2=O)cc(c1O)C(C)(C)C"	0	""	""	2	2	"403661"	NA
"718730"	718730	"2-(3,5-Di-tert-butyl-4-methoxybenzyl)cyclopent-4-ene-1,3-dione"	"COc1c(cc(CC2C(=O)C=CC2=O)cc1C(C)(C)C)C(C)(C)C"	0	""	""	2	1	"403662"	NA
"718731"	718731	"2-(3,5-Di-tert-butyl-4-hydroxybenzyl)-1h-indene-1,3(2h)-dione"	"CC(C)(C)c1cc(CC2C(=O)c3ccccc3C2=O)cc(c1O)C(C)(C)C"	0	""	""	1	1	"403663"	NA
"718738"	718738	"11-(6'-bromohexylidene)-5,6-dihydro-2,3-dimethoxy-6-meth..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"5472441"	NA
"718742"	718742	"S-[2-[2-[2-[2-[2-[(2-benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate"	"COc1ccc(NC(=O)CSC(=O)c2ccccc2)c(SCCSSCCSc3cc(OC)ccc3NC(=O)CSC(=O)c4ccccc4)c1"	0	""	""	1	1	"403667"	NA
"718777"	718777	"N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine"	"CC(C)(C)CNCCCNc1ccc(Cl)cc1"	0	""	""	1	1	"403668"	NA
"718781"	718781	"Erlotinib"	"COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC"	0	"PK:YK,EGFR"	"FDA approved"	10	9	"-1"	"183319699"
"718800"	718800	"(2S)-N-[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide"	"COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NCC(F)(F)F)C(C)C)c2c1"	0	""	""	1	1	"403672"	NA
"718809"	718809	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccnc5)\[C@@H]2O"	0	""	""	1	1	"5472448"	NA
"718810"	718810	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5cccnc5)\C\4=N/O"	0	""	""	1	1	"9572510"	NA
"718811"	718811	"(6aS)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	"403687"	NA
"718812"	718812	"(6aS)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	"403688"	NA
"718813"	718813	"(6aS)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"403689"	NA
"718890"	718890	"12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene"	"C1CN2CCN(CC\N=C\c3ccccc3OCc4cccc(COc5ccccc5\C=N\1)n4)CC2"	0	""	""	1	1	"403699"	NA
"718891"	718891	"3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene"	"C1C\N=C\c2ccccc2OCc3cccc(COc4ccccc4\C=N\CCO1)n3"	0	""	""	1	1	"403700"	NA
"718901"	718901	"4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline"	"Nc1ccc(Cc2ccc(cc2)\N=C/c3ccc(OCc4cccc(COc5ccc(\C=N/c6ccc(Cc7ccc(N)cc7)cc6)cc5)n4)cc3)cc1"	0	""	""	1	1	"403710"	NA
"718907"	718907	"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine"	"COc1ccc(O)c(\C=N\CCC\N=C\c2cc(OC)ccc2O)c1"	0	""	""	1	1	"403716"	NA
"718919"	718919	"3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one"	"CC1=CC2=C(C(=O)C(=C)C2(C)C13CC3)[Si](C)(C)C"	0	""	""	1	1	"403718"	NA
"719121"	719121	"2-[8-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	""	""	1	1	"403719"	NA
"719122"	719122	"2-[10-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	""	""	1	1	"403720"	NA
"719148"	719148	"4-chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline"	"Fc1cc(C2=Nn3c(CNc4ccc(Cl)cc4)nnc3S/C/2=C\c5oc(cc5)c6ccc(Cl)cc6)c(Cl)cc1Cl"	0	""	""	1	1	"5472467"	NA
"719151"	719151	"4-chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline"	"Clc1ccc(NCc2oc(COc3ccc(OCc4oc(CNc5ccc(Cl)cc5)nn4)c(Cl)c3)nn2)cc1"	0	""	""	1	1	"403741"	NA
"719152"	719152	"2-[3-chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide"	"Clc1ccc(c(Cl)c1)c2oc(\C=N\NC(=O)COc3ccc(OCC(=O)N\N=C\c4oc(cc4)c5ccc(Cl)cc5Cl)c(Cl)c3)cc2"	0	""	""	1	1	"54611645"	NA
"719156"	719156	"2-[3-chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide"	"Fc1cc(C2CSC(=N2)NNC(=O)COc3ccc(OCC(=O)NNC4=NC(CS4)c5cc(F)c(Cl)cc5Cl)c(Cl)c3)c(Cl)cc1Cl"	0	""	""	1	1	"403746"	NA
"719159"	719159	"3-Genistein-8-C-glucoside"	"OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3C(=O)C(=COc23)c4ccc(O)cc4"	0	""	""	1	1	"5472471"	NA
"719162"	719162	"11-(5'-bromopentylidine)-5,6-dihydro-2,3-dimethoxy-6-met..."	"COc1cc2C(=O)N(C)C3=C(\C(=C/CCCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"5472472"	NA
"719163"	719163	"4-[(Z)-indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4nc5ccccc5c24)cc1"	0	""	""	1	1	"5472473"	NA
"719177"	719177	"benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 1..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCCC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	1	1	"403758"	NA
"719181"	719181	"5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine"	"Cc1nnc2nc(cc(c3ccc(Cl)cc3)n12)c4ccc(Cl)cc4Cl"	0	""	""	1	1	"403762"	NA
"719182"	719182	"3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one"	"Cc1ccc2nc(sc2c1)c3ccc(cc3)N4C(C(Cl)C4=O)c5ccc(Cl)cc5"	0	""	""	1	1	"403763"	NA
"719210"	719210	"N-[2-(acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide"	"Cc1cc(CCC(=O)NCCNc2c3ccccc3nc4ccccc24)cc(C)c1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	"403766"	NA
"719211"	719211	"11-(4'-iodobutylidene)-5,6-dihydro-2,3-dimethoxy-6-methy..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCI)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	3	2	"5472476"	NA
"719212"	719212	"Ma'iliohydrin"	"CC1(C)[C@H](Br)[C@H](O)CC(=C)[C@@]12CCC(O)(CBr)C=C2"	0	""	""	1	1	"403768"	NA
"719239"	719239	"E-7820"	"Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13"	0	"Ang|ITG"	"Clinical trial"	3	2	"196970"	NA
"719240"	719240	"apotransferrin complexed w/ cis-[cl2(nh3)4ruiii]cl, mw=2..."	NA	0	NA	NA	1	1	"534958"	NA
"719242"	719242	"holotransferrin complexed w/ cis-[cl2(nh3)4ruiii]cl, mw=..."	NA	0	NA	NA	1	1	"534960"	NA
"719243"	719243	"holotransferrin complexed w/(imh)trans-[(im)2cl4ruiii, m..."	NA	0	NA	NA	1	1	"534961"	NA
"719244"	719244	"6a-Hydroxysalvinolone"	"CC(C)c1cc2CC(=C3C(C)(C)CCC[C@]3(C)c2c(O)c1O)O"	0	""	""	1	1	"403771"	NA
"719249"	719249	"3,4,5-trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline"	"COc1cc(NCc2ccc3COc4ccccc4n23)cc(OC)c1OC"	0	""	""	1	1	"403776"	NA
"719252"	719252	"ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate"	"CCOC(=O)N(Cc1cccs1)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	"403779"	NA
"719263"	719263	"[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate"	"COc1cc2c(cc1C[C@H]3[C@@H]4C[C@@H]5N(C)[C@@H](Cc6c5n(C)c7ccccc67)[C@@H]4CO[C@]3(C)OC(=O)C)c8C[C@H]9[C@@H]%10COC=C([C@@H]%10CC(N9C)c8n2C)C(=O)C"	0	""	""	1	1	"403786"	NA
"719264"	719264	"Macrocarpamine"	"COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@H]4c5ccccc5N1[C@]34\C=C\C6=COC[C@H]7[C@@H]8Cc9c([C@H](C[C@@H]67)N8C)n(C)c%10ccccc9%10)C/C/2=C/C"	0	""	""	1	1	"5472477"	NA
"719276"	719276	"Fulvestrant"	"C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O"	0	"AM|Ho|ESR|SERM"	"FDA approved"	2	2	"104741"	"129453618"
"719279"	719279	"1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one"	"O=C1NI(C#Cc2ccccc2)c3ccccc13"	0	""	""	1	1	"403789"	NA
"719280"	719280	"3-(methyl-S-glutathionyl)oxindole-diethyl ester"	"CCOC(=O)CNC(=O)C(CSCC1C(=O)Nc2ccccc12)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	"403790"	NA
"719328"	719328	"dorsmanin A"	"CC1(C)CCc2c(O)c(ccc2O1)C(=O)\C=C\c3ccc(O)cc3"	0	""	""	1	1	"5472480"	NA
"719330"	719330	"6-prenylchrysoeriol"	"COc1cc(ccc1O)C2=CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2"	0	""	""	1	1	"403815"	NA
"719332"	719332	"1H-indol-3-yl diphenyl phosphate"	"O=P(Oc1ccccc1)(Oc2ccccc2)Oc3c[nH]c4ccccc34"	0	""	""	1	1	"403817"	NA
"719346"	719346	"2,6-Diamino-5-[1-(diethoxymethyl)-3-phenylpropyl]pyrimidin-4(1h)-one"	"CCOC(OCC)C(CCc1ccccc1)C2=C(N)N=C(N)NC2=O"	0	""	""	1	1	"135426806"	NA
"719362"	719362	"(5Ar,6r,8ar)-6-(1,5-dimethylhexyl)-5a-methyl-2,3,4,5,6,7,8,8a-octahydro-1h-cyclopenta[b]azepine"	"CC(C)CCCC(C)[C@H]1CC[C@H]2NCCCC[C@]12C"	0	""	""	2	2	"403828"	NA
"719366"	719366	"(2R,5R,6R)-6-methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene"	"CC(C)CCCC(C)[C@H]1CC[C@H]2n3c(CCC[C@]12C)nnc3c4ccccc4"	0	""	""	1	1	"403832"	NA
"719370"	719370	"ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate"	"CCOC(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"135426809"	NA
"719372"	719372	"(3e)-7-Chloro-3-[(4-fluorophenyl)imino]-4-hydroxy-3,4-dihydroquinoxaline-2-carbonitrile 1-oxide"	"[O-][n+]1c(Nc2ccc(F)cc2)c(C#N)[n+]([O-])c3cc(Cl)ccc13"	0	""	""	1	1	"135426810"	NA
"719376"	719376	"(4S,8S,12S,16S)-4,8,12,16-Tetrabenzyl-1,9-bis(prop-2-enyl)-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone"	"C=CCN1[C@@H](Cc2ccccc2)CC(=O)N[C@@H](Cc3ccccc3)CC(=O)N(CC=C)[C@@H](Cc4ccccc4)CC(=O)N[C@@H](Cc5ccccc5)CC1=O"	0	""	""	1	1	"403842"	NA
"719381"	719381	"methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate"	"COC(=O)C1=CSC(=C2S[C@H]3[C@H]4C[C@H](C=C4)[C@H]3S2)S1"	0	""	""	1	1	"403847"	NA
"719393"	719393	"ChemDiv1_000166"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])cc2)n1"	0	""	""	1	1	"403860"	NA
"719406"	719406	"Methyl 2-hydroxy-5-(3-methylbenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5cccc(C)c5"	0	""	""	1	1	"403873"	NA
"719407"	719407	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	"403874"	NA
"719409"	719409	"Methyl 5-benzyl-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5ccccc5"	0	""	""	1	1	"403876"	NA
"719411"	719411	"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5,11-dihydro-6h-benzo[b]carbazol-6-one"	"COc1cc(Cn2c3C(=O)c4ccccc4Cc3c5cc(O)ccc25)cc(OC)c1"	0	""	""	1	1	"403878"	NA
"719412"	719412	"2-Hydroxy-5-(2-methoxybenzyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccccc1Cn2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25"	0	""	""	1	1	"403879"	NA
"719415"	719415	"5-(2,4-Dichlorobenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"Oc1ccc2c(c1)c3C(=O)c4ccccc4C(=O)c3n2Cc5ccc(Cl)cc5Cl"	0	""	""	1	1	"403882"	NA
"719416"	719416	"2-Hydroxy-5-(4-methoxyphenyl)-5,11-dihydro-6h-benzo[b]carbazol-6-one"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4Cc3c5cc(O)ccc25"	0	""	""	1	1	"403883"	NA
"719468"	719468	"LS-41409"	"Clc1ccc(\C=C\2/CSc3ccccc3C2=O)cc1"	0	""	""	1	1	"5472487"	NA
"719469"	719469	"3-(4-Bromophenyl)-2-phenyl-2,3,3a,4-tetrahydrothiochromeno[4,3-c]pyrazole"	"Brc1ccc(cc1)C2C3CSc4ccccc4C3=NN2c5ccccc5"	0	""	""	1	1	"403885"	NA
"719477"	719477	"(3Z)-3-[(3-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1cccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)c1"	0	""	""	1	1	"5472489"	NA
"719478"	719478	"(3Z)-3-(furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole"	"o1cccc1\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45"	0	""	""	1	1	"5472490"	NA
"719479"	719479	"(3Z)-3-[(4-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1ccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)cc1"	0	""	""	1	1	"5472491"	NA
"719480"	719480	"(3Z)-3-[(2-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1ccccc1\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45"	0	""	""	1	1	"5472492"	NA
"719481"	719481	"N,N-diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline"	"CCN(CC)c1ccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)cc1"	0	""	""	1	1	"5472493"	NA
"719487"	719487	"Phenolnaphthalein derivative, 1"	"Oc1ccc(cc1F)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(F)c5"	0	""	""	1	1	"403898"	NA
"719488"	719488	"4,4-Bis(4-methoxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one"	"COc1ccc(cc1)C2(OC(=O)c3cccc4cccc2c34)c5ccc(OC)cc5"	0	""	""	1	1	"403899"	NA
"719489"	719489	"8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one"	"Oc1ccc(cc1)C2(OC(=O)c3ccc(Cl)c4cccc2c34)c5ccc(O)cc5.Oc6ccc(cc6)C7(OC(=O)c8cccc9c(Cl)ccc7c89)c%10ccc(O)cc%10"	0	""	""	1	1	"403900"	NA
"719502"	719502	"17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one"	"Cn1c2C=NNC(=O)c2c3ccc4ccccc4c13"	0	""	""	1	1	"403909"	NA
"719503"	719503	"18-Methyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"Cn1c2C=NNC(=O)c2c3CCCc4ccccc4c13"	0	""	""	1	1	"403910"	NA
"719623"	719623	"(5Z)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one"	"Clc1ccc(\C=C\2/N(C(=O)N(C2=S)c3ccccc3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	"5472496"	NA
"719625"	719625	"bisabolene peh-iii g3"	"CC(=CCCC(=C)C1CCC(=CC1)C)C"	0	""	""	1	1	"403919"	NA
"719626"	719626	"phh6f"	"CC\C=C\C(CC)\C=C\C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1"	0	""	""	2	2	"5472497"	NA
"719627"	719627	"Celecoxib"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	0	"AM|PTGS2|COX2|NonCan:NSAID"	"FDA approved"	2	1	"-1"	"169590425"
"719660"	719660	"1-o-octadecyl-[(2.fwdarw.5')-3'-c-ethinyl-cytidylyl]-rac..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1N=[N+]=[N-])N2C=C(C)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	""	""	2	2	"403924"	NA
"719661"	719661	"1-o-octadecyl-[(2.fwdarw.5')-3'-c-ethinyl-cytidylyl]-rac..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	NA	NA	2	2	"535146"	NA
"719665"	719665	"7-methoxy-8-[3-(4-methylhexahydro-1-pyrazinyl)propoxyl -..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCN(C)CC4"	0	""	""	1	1	"403925"	NA
"719667"	719667	"7-methoxy-8-[3-(1,4-oxazinan-4-yl)propoxy-(11as)-2,3,5,1..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCOCC4"	0	""	""	1	1	"403927"	NA
"719688"	719688	"11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole"	"COC(=O)\C=C/1\c2ccccc2n3nc4ccccc4c13"	0	""	""	1	1	"5472499"	NA
"719690"	719690	"11-Cyanomethylen-11H-indolo[1,2-a]indazole"	"N#C\C=C/1\c2ccccc2n3nc4ccccc4c13"	0	""	""	1	1	"5472501"	NA
"719700"	719700	"4-chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide"	"C\C(=N/NC(=O)c1ccc(Cl)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	"135417302"	NA
"719705"	719705	"ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate"	"CCOC(=O)\C=C\1/Nc2ccccc2C13CCc4c([nH]c5ccccc45)C3C(=O)OCC"	0	""	""	1	1	"5472503"	NA
"719706"	719706	"Ethyl 2-(2-ethoxy-2-oxoethyl)spiro[1,2-dihydroindole-3,2'-1,3,4,9-tetrahydrocarbazole]-1'-carboxylate"	"CCOC(=O)CC1Nc2ccccc2C13CCc4c([nH]c5ccccc45)C3C(=O)OCC"	0	""	""	1	1	"403940"	NA
"719714"	719714	"Cambridge id 6981662"	"CC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"403948"	NA
"719715"	719715	"1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone"	"CC(=O)c1c([n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"403949"	NA
"719720"	719720	"2-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)Cc2c(C)nc3sc(C)cn23"	0	""	""	1	1	"403954"	NA
"719723"	719723	"2-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)Cc2c(Cl)nc3sc(C)cn23"	0	""	""	1	1	"403957"	NA
"719726"	719726	"2-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C\c2c(Cl)nc3sccn23"	0	""	""	1	1	"5472504"	NA
"719734"	719734	"Diethyl 4-amino[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate"	"CCOC(=O)c1nnc2c(C(=O)OCC)c3ccccc3n2c1N"	0	""	""	1	1	"403963"	NA
"719735"	719735	"Ethyl 4-amino-3-carbamoyl[1,2,4]triazino[4,3-a]indole-10-carboxylate"	"CCOC(=O)c1c2ccccc2n3c(N)c(nnc13)C(=O)N"	0	""	""	1	1	"403964"	NA
"719736"	719736	"methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]2O)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)OC"	0	""	""	1	1	"6712912"	NA
"719737"	719737	"methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentanoate"	"CC[C@H](C)[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@H]1N(C)c5cc(OC)c(Br)cc45)C(=O)OC"	0	""	""	1	1	"6712913"	NA
"719923"	719923	"S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate"	"O=C(SC1=NNC(=O)NC1=O)c2cccc3nc4ccccc4nc23"	0	""	""	1	1	"403975"	NA
"719979"	719979	"2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one"	"BrC1=CC2(CCNC3=C2C(=O)c4nc5ccccc5c6ccnc3c46)C=C(Br)C1=O"	0	""	""	1	1	"135968227"	NA
"719982"	719982	"s-(dimethylarsino)-thiomercaptosuccinic acid"	"C[As](C)SC(CC(=O)O)C(=O)O"	0	""	""	2	2	"403983"	NA
"719994"	719994	"5-(3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4- oxo..."	"O=C1CS\C(=C/2\SC(=S)N(C2=O)c3ccccc3)\N1c4ccccc4"	0	""	""	1	1	"5472509"	NA
"719997"	719997	"5-(5-benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3..."	"O=C1N(\C(=C\2/SC(=S)N(C2=O)c3ccccc3)\S/C/1=C\c4ccccc4)c5ccccc5"	0	""	""	1	1	"5472512"	NA
"719999"	719999	"5-(p-anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-..."	"COc1ccc(\C=C\2/S\C(=C/3\SC(=S)N(C3=O)c4ccccc4)\N(C2=O)c5ccccc5)cc1"	0	""	""	1	1	"5472514"	NA
"720028"	720028	"3-acetyl-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"CC(=O)c1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	"403993"	NA
"720029"	720029	"ethyl 6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine -3..."	"CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	"403994"	NA
"720052"	720052	"11-methoxycarbonylmethylene-6-methyl-11h-indolo[1,2-b]in..."	"COC(=O)\C=C/1\c2ccccc2n3c1c4ccccc4[n+]3C"	0	""	""	1	1	"5472517"	NA
"720053"	720053	"11-cyanomethylen-6-methyl-11h-indolo[1,2-b]indazolium tr..."	"C[n+]1c2ccccc2c3\C(=C/C#N)\c4ccccc4n13"	0	""	""	1	1	"5472519"	NA
"720054"	720054	"4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4- yl)m..."	"Cc1nn(c(C)c1\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"9572519"	NA
"720055"	720055	"4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyra..."	"Cc1nn(c(C)c1\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	"9572520"	NA
"720057"	720057	"5-(p-chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5- dimet..."	"Cc1nn(c(C)c1\C=N\N=C\2/S\C(=C/c3ccc(Cl)cc3)\C(=O)N2c4ccccc4)c5ccccc5"	0	""	""	1	1	"9572522"	NA
"720065"	720065	"Vedelianin"	"CC(=CCc1c(O)cc(\C=C\c2cc(O)c3O[C@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]4Cc3c2)cc1O)C"	0	""	""	2	2	"643539"	NA
"720093"	720093	"15deoxy-delta-12,14-pgj2"	"CCCCC\C=C/C=C/1\[C@@H](C\C=C/CCCC(=O)O)C=CC1=O"	0	""	""	1	1	"5283035"	NA
"720134"	720134	"2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2n1ccc3nc(c(\C=N\NC(=N)N)n23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"9572528"	NA
"720135"	720135	"2-[(E)-[2-chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	"9572530"	NA
"720137"	720137	"2-[(E)-[2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"9572534"	NA
"720139"	720139	"2-[(E)-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c3cccc(c3)[N+](=O)[O-])c(\C=N\NC(=N)N)n12"	0	""	""	2	1	"9572538"	NA
"720140"	720140	"2-[(E)-[3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c3ccc(cc3)[N+](=O)[O-])c(\C=N\NC(=N)N)n12"	0	""	""	2	1	"9572540"	NA
"720142"	720142	""	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	NA	NA	1	1	"535278"	NA
"720147"	720147	"2-[(E)-[2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1sc2nc(c(\C=N\NC(=N)N)n2c1C)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"9572550"	NA
"720148"	720148	"Cdk1 inhibitor"	"Clc1[nH]c2ccccc2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	"5472558"	NA
"720149"	720149	"(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4ccccc34)\c2c1"	0	""	""	1	1	"5472559"	NA
"720173"	720173	"2,3-Dimethyl-4,7,8,9-tetrahydro-1H-pyrazino[2,3-a]carbazole-5,10-dione"	"Cc1nc2c(O)cc3c4CCCC(=O)c4[nH]c3c2nc1C"	0	""	""	1	1	"135426814"	NA
"720174"	720174	"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-1h-pyrazino[2,3-a]carbazole-5,10-dione"	"Cc1nc2c(O)cc3c4CCCC(=O)c4n(Cc5ccccc5)c3c2nc1C"	0	""	""	1	1	"135426815"	NA
"720176"	720176	"2,3-Dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4[nH]c3c2nc1C"	0	""	""	2	2	"404058"	NA
"720177"	720177	"2,3,11-Trimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4n(C)c3c2nc1C"	0	""	""	2	2	"404059"	NA
"720180"	720180	"5-(3,5-Dimethoxybenzyl)-1-[(dimethylamino)methyl]-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5c(CN(C)C)c(O)ccc25)cc(OC)c1"	0	""	""	1	1	"404062"	NA
"720182"	720182	"Benzo[c][2,7]naphthyridin-4-yl(thiophen-3-yl)methanone"	"O=C(c1ccsc1)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	"404064"	NA
"720183"	720183	"Benzo[c][2,7]naphthyridin-4-yl(thiophen-2-yl)methanone"	"O=C(c1cccs1)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	"404065"	NA
"720185"	720185	"5-(Benzo[c][2,7]naphthyridin-4-ylcarbonyl)-1-methylpyridin-2(1h)-one"	"CN1C=C(C=CC1=O)C(=O)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	"404067"	NA
"720187"	720187	"4-hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde"	"COc1cc(C=O)cc(\C=N\c2ccccn2)c1O"	0	""	""	1	1	"135436331"	NA
"720188"	720188	"2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol"	"CCOc1cc(\C=N/O)cc(\C=N\O)c1O"	0	""	""	1	1	"135436332"	NA
"720190"	720190	"[(E)-1-Phenoxathiin-2-ylethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc2Oc3ccccc3Sc2c1"	0	""	""	1	1	"9572553"	NA
"720191"	720191	"1H-benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3cccc[n+]3[O-]"	0	""	""	1	1	"135426818"	NA
"720193"	720193	"N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3nc4ccccc4[nH]3"	0	""	""	2	2	"9572555"	NA
"720194"	720194	"N-[(E)-(2-phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine"	"C(\C(=N/Nc1nc2ccccc2[nH]1)\c3ccccn3)c4ccccc4"	0	""	""	2	2	"9572556"	NA
"720195"	720195	"2-[2-(Dipyridin-2-ylmethylidene)hydrazino]-1h-benzimidazole"	"N(N=C(c1ccccn1)c2ccccn2)c3nc4ccccc4[nH]3"	0	""	""	2	2	"404076"	NA
"720196"	720196	"1,3-benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1nc2ccccc2s1)\c3cccc[n+]3[O-]"	0	""	""	1	1	"6712917"	NA
"720197"	720197	"N-[(E)-[cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine"	"C1CCC(CC1)\C(=N/Nc2nc3ccccc3s2)\c4ccccn4"	0	""	""	1	1	"9572557"	NA
"720198"	720198	"1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1oc2ccccc2n1)\c3cccc[n+]3[O-]"	0	""	""	1	1	"6712918"	NA
"720199"	720199	"N-[(E)-(2-phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine"	"C(\C(=N/Nc1oc2ccccc2n1)\c3ccccn3)c4ccccc4"	0	""	""	2	2	"9572558"	NA
"720200"	720200	"N-(dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine"	"N(N=C(c1ccccn1)c2ccccn2)c3oc4ccccc4n3"	0	""	""	2	2	"404079"	NA
"720201"	720201	"N-(2,6-difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)cccc3F"	0	""	""	1	1	"404080"	NA
"720202"	720202	"N-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3ccc(F)cc3F"	0	""	""	1	1	"404081"	NA
"720203"	720203	"N-(2-hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)c(F)cc(F)c3F"	0	""	""	1	1	"404082"	NA
"720204"	720204	"N-(2-hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	1	1	"404083"	NA
"720205"	720205	"N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)c2ccccc2)c3ccccc3F"	0	""	""	2	1	"404084"	NA
"720207"	720207	"N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(C2CCCCC2O)c3ccccc3F"	0	""	""	1	1	"404086"	NA
"720229"	720229	"4-(4-carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)CCCn2c3ccccc3c4ccccc24)cn1C"	0	""	""	1	1	"404108"	NA
"720230"	720230	"Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate"	"COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(cn3C)[N+](=O)[O-])cn2C)cn1C"	0	""	""	1	1	"404109"	NA
"720236"	720236	"STK979731"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	"9572559"	NA
"720238"	720238	"5-bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)c2ccc(Br)s2)cc1"	0	""	""	1	1	"9572560"	NA
"720239"	720239	"methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2[nH]1"	0	""	""	1	1	"404116"	NA
"720240"	720240	"2-butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide"	"CCCCC(C(=O)N\N=C\c1oc(cc1)[N+](=O)[O-])C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"9572561"	NA
"720243"	720243	"methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)NC(CC(C)C)C(=O)OC"	0	""	""	1	1	"404120"	NA
"720245"	720245	"methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NS(=O)(=O)c3cccs3)ccc2[nH]1"	0	""	""	1	1	"404122"	NA
"720248"	720248	"methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1"	0	""	""	1	1	"404125"	NA
"720250"	720250	"5-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1cc2NC(=O)Nc2c(c1N\N=C\c3ccc(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	"9572562"	NA
"720255"	720255	"[1-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol"	"OCc1nc2ccccc2n1\N=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"9572565"	NA
"720262"	720262	"(-)-Huprine Y"	"CC1=C[C@H]2C[C@@H](C1)c3c(N)c4ccc(Cl)cc4nc3C2"	0	""	""	1	1	"54608866"	NA
"720283"	720283	"4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole"	"Nc1ccc(cc1C#N)c2nc3c(F)cccc3s2"	0	""	""	1	1	"404144"	NA
"720284"	720284	"6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole"	"Nc1ccc(cc1C#N)c2nc3ccc(F)cc3s2"	0	""	""	1	1	"404145"	NA
"720285"	720285	"2-(4-Amino-3-(phenylacetylenyl)phenyl)benzothiazole"	"Nc1ccc(cc1C#Cc2ccccc2)c3nc4ccccc4s3"	0	""	""	1	1	"404146"	NA
"720286"	720286	"2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole"	"C[Si](C)(C)C#Cc1cc(ccc1N)c2nc3ccccc3s2"	0	""	""	1	1	"404147"	NA
"720288"	720288	"n-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-o..."	"Cc1ccc(CC(=O)Nc2ccc(NC(=O)\C=C\NC(=O)\C=C\c3ccc(cc3)c4ccccc4)cc2C(=O)c5ccccc5)cc1"	0	""	""	1	1	"5472582"	NA
"720290"	720290	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	1	1	"404150"	NA
"720292"	720292	"7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-amide-3-s..."	"CC(CCC(=O)N)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	2	2	"404152"	NA
"720293"	720293	"n-(n-propyl)-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan..."	"CCCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	4	3	"404153"	NA
"720294"	720294	"n-methylen-(methoxycarbonyl)-7.alpha.,12.alpha.-diacetox..."	"COC(=O)CNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	1	1	"404154"	NA
"720295"	720295	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	"535390"	NA
"720296"	720296	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	"535391"	NA
"720297"	720297	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(CC6)C(C)(C)C)OO5)OC(=O)C"	0	NA	NA	1	1	"535392"	NA
"720299"	720299	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCC6)OO5)OC(=O)C"	0	""	""	1	1	"404157"	NA
"720300"	720300	"methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCCCC6)OO5)OC(=O)C"	0	""	""	1	1	"404158"	NA
"720303"	720303	"n-ethyl 7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-a..."	"CCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	"535398"	NA
"720305"	720305	"7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-amide-3-s..."	"CC(CCC(=O)N)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	"535400"	NA
"720306"	720306	"n-ethyl 7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-a..."	"CCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	"535401"	NA
"720308"	720308	"fusion protein 59 (fp59) plus protective antigen (pa)at ..."	NA	0	NA	NA	1	1	"535402"	NA
"720320"	720320	"1,6-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5-me..."	"COc1cc2nc(c3c(F)cccc3F)n(Cc4c(F)cccc4F)c2cc1Cc5c(F)cccc5F"	0	""	""	2	2	"404168"	NA
"720321"	720321	"1,5-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-6-me..."	"COc1cc2c(cc1Cc3c(F)cccc3F)nc(c4c(F)cccc4F)n2Cc5c(F)cccc5F"	0	""	""	2	2	"404169"	NA
"720322"	720322	"1,5-bis-(2-chloro-6-fluorobenzyl)-2-(2-chloro-6-fluoro-p..."	"COc1cc2c(cc1Cc3c(F)cccc3Cl)nc(c4c(F)cccc4Cl)n2Cc5c(F)cccc5Cl"	0	""	""	1	1	"404170"	NA
"720323"	720323	"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)benzimida..."	"Oc1ccc(Cn2c(nc3ccccc23)c4ccc(O)c(O)c4)cc1O"	0	""	""	1	1	"404171"	NA
"720325"	720325	"11-(4'-bromobutylidene)-5,6-dihydro-2,3-dimethoxy-6-meth..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"10896187"	NA
"720326"	720326	"2-(5,6,7-trimethoxyindol-2-carbonyl)amino-4h-pyrazolo[1,..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc3cc4Cc5ccccc5n4n3"	0	""	""	1	1	"404173"	NA
"720329"	720329	"methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate"	"COC(=O)c1c(O)ccc2OC(O)C3(Cc4ccccc4C3=O)c12"	0	""	""	1	1	"404178"	NA
"720336"	720336	"Methyl 2-hydroxy-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	"404185"	NA
"720338"	720338	"Methyl 2-hydroxy-5-(2-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5OC"	0	""	""	1	1	"404187"	NA
"720340"	720340	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	"404189"	NA
"720341"	720341	"Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2c5ccc(OC)cc5"	0	""	""	1	1	"404190"	NA
"720343"	720343	"Methyl 5-benzyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5"	0	""	""	1	1	"404192"	NA
"720344"	720344	"Methyl 2-hydroxy-5-(4-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccc(OC)cc5"	0	""	""	1	1	"404193"	NA
"720345"	720345	"4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1"	0	""	""	1	1	"5472587"	NA
"720346"	720346	"4-(4-hydroxy-phenylazo)-benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)cc2"	0	""	""	1	1	"404195"	NA
"720347"	720347	"4-(3,4-dihydroxy-phenylazo)-benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(O)c2"	0	""	""	1	1	"404196"	NA
"720352"	720352	"4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide"	"CN(C)c1ccc(\C=C\c2ccc(cc2)S(=O)(=O)N)cc1"	0	""	""	1	1	"5472593"	NA
"720354"	720354	"4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(O)cc2)cc1"	0	""	""	1	1	"5472594"	NA
"720357"	720357	"4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(O)c(O)c2)cc1"	0	""	""	1	1	"5472597"	NA
"720374"	720374	"1-(4-Nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline"	"Cc1cc2cc3OCOc3cc2c(n1)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"404207"	NA
"720379"	720379	"Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate"	"COC(=O)Cc1cc2OCOc2cc1C(=O)c3ccc(N)cc3"	0	""	""	2	2	"404212"	NA
"720382"	720382	"2.beta.,3.beta.-epoxyestr-5(10)-en-1,4,17-trione"	"C[C@]12CCC3C(CCC4=C3C(=O)[C@@H]5O[C@@H]5C4=O)C1CCC2=O"	0	""	""	2	2	"404215"	NA
"720384"	720384	"10.beta.-hydroxy-1.beta.,2.beta.,4.beta.,5.beta.diepoxye..."	"C[C@]12CCC3C(CC[C@]45O[C@H]4C(=O)[C@H]6O[C@H]6[C@]35O)C1CCC2=O"	0	""	""	2	2	"404217"	NA
"720385"	720385	"n-(n-propyl)-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan..."	"CCCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	""	""	1	1	"404218"	NA
"720386"	720386	"methyl-12.alpha.-acetoxy-5.beta.cholan-24-oate-3-spiro-6..."	"COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5"	0	""	""	1	1	"404219"	NA
"720388"	720388	"bis(n-methylen-(methoxycarbonyl)-3-dioxy-7.alpha.,12.alp..."	"COC(=O)CNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CC[C@@]7(C)[C@H](C[C@@H](OC(=O)C)C8C9CC[C@H](C(C)CCC(=O)NCC(=O)OC)[C@@]9(C)[C@H](CC78)OC(=O)C)C6)OO5)OC(=O)C"	0	NA	NA	1	1	"535461"	NA
"720413"	720413	"6-Ethoxy-2-(3-oxo-5-phenyl-2,3-dihydrofuran-2-yl)-2h-1,4-benzothiazin-3(4h)-one"	"CCOc1ccc2SC(C3OC(=CC3=O)c4ccccc4)C(=O)Nc2c1"	0	""	""	1	1	"404234"	NA
"720416"	720416	"Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate"	"CCOC(=O)C(Br)(C(=O)N)C1(O)OC(=C(Br)C1=O)c2ccccc2"	0	""	""	1	1	"404238"	NA
"720421"	720421	"(Z)-1-(1,5-diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one"	"O\C(=C/C(=O)c1ccccc1)\c2cc(c3ccccc3)n(n2)c4ccccc4"	0	""	""	1	1	"5472604"	NA
"720422"	720422	"1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one"	"CC(C)(C)C(=O)CC1=Nc2ccccc2SC1(O)CC(=O)C(C)(C)C"	0	""	""	1	1	"404244"	NA
"720425"	720425	"3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one"	"Brc1ccc(cc1)C(=O)CC2=NC3CCCCC3NC2=O"	0	""	""	1	1	"404247"	NA
"720426"	720426	"TimTec1_002753"	"Cc1ccc(cc1)C(=O)CC2=Nc3ncccc3NC2=O"	0	""	""	1	1	"404248"	NA
"720427"	720427	"2-(4-Nitrophenyl)-6-phenyl-5-(phenylcarbonyl)-1,2-dihydropyridazine-3,4-dione"	"[O-][N+](=O)c1ccc(cc1)N2NC(=C(C(=O)c3ccccc3)C(=O)C2=O)c4ccccc4"	0	""	""	1	1	"404249"	NA
"720429"	720429	"2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone"	"O=C(CC1=Nc2ccccc2S/C/1=C\C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"5472606"	NA
"720431"	720431	"2-[3-[(Z)-2-hydroxy-2-phenylethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-phenylethanone"	"O=C(CC1=Nc2cccnc2N/C/1=C\C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	"135426820"	NA
"720438"	720438	"1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one"	"CC(C)(C)C(=O)CC1(O)OC(O)(CC(=O)C(C)(C)C)C(=C1)O"	0	""	""	1	1	"404260"	NA
"720442"	720442	"3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one"	"Cc1ccc(C(=O)\C=C\2/Nc3ccccc3SC2=O)c(C)c1"	0	""	""	1	1	"135426822"	NA
"720444"	720444	"2-[3-Oxo-5-phenyl-4-(phenylcarbonyl)furan-2(3h)-ylidene]-1,3-diphenylpropane-1,3-dione"	"O=C(C(=C1OC(=C(C(=O)c2ccccc2)C1=O)c3ccccc3)C(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"404266"	NA
"720446"	720446	"(3Z)-3-[bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one"	"CN(C)c1ccc(cc1)C(=N\N=C\2/C(=O)Nc3ccccc23)c4ccc(cc4)N(C)C"	0	""	""	3	3	"135436345"	NA
"720447"	720447	"STK762189"	"Cc1ccc(cc1)C(=O)\C=C\2/Nc3ccccc3NC2=O"	0	""	""	1	1	"135426824"	NA
"720450"	720450	"ZEZNXEJCMWBVFC-UHFFFAOYSA-N"	"O=C(C1=C(N(NC(=O)C1=O)c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	"404272"	NA
"720452"	720452	"(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-(4-methoxyphenyl)ethenol"	"COc1ccc(cc1)C(=O)\C=C/2\C(\Nc3c(N2)cccn3)=C\C(=O)c4ccc(OC)cc4"	0	""	""	1	1	"135426825"	NA
"720459"	720459	"Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"Cc1c(C(=O)OCC=C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"404276"	NA
"720462"	720462	"Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	"404279"	NA
"720465"	720465	"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone"	"Cc1c(C(=O)c2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	"404284"	NA
"720468"	720468	"2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide"	"CCOC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"404287"	NA
"720481"	720481	"(e)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxy..."	"CO\C=C(\C(=O)OC)/c1ccccc1COc2cccc(c2)C(F)(F)F"	0	""	""	1	1	"5472620"	"117428134"
"720482"	720482	"methyl (e)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypro..."	"CO\C=C(\C(=O)OC)/c1ccccc1Oc2c(F)c(F)c(F)c(F)c2F"	0	""	""	1	1	"5472621"	NA
"720484"	720484	"N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide"	"COc1ccccc1Cn2c3C(=O)c4ccccc4C(=O)c3c5c(C(=O)NCCN(C)C)c(O)ccc25"	0	""	""	2	1	"404302"	NA
"720485"	720485	"5-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5c(C(=O)NCCN(C)C)c(O)ccc25)cc(OC)c1"	0	""	""	1	1	"404303"	NA
"720486"	720486	"N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide"	"CN(C)CCNC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2CCc5ccccc5"	0	""	""	4	2	"404304"	NA
"720489"	720489	"ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	"404307"	NA
"720490"	720490	"[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate"	"CC(=O)Oc1ccc2c(c1)c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5cccc(C)c5"	0	""	""	1	1	"404308"	NA
"720491"	720491	"Methyl 2,6-bis(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3cc4ccccc4c(OC(=O)C)c3n2C"	0	""	""	1	1	"404309"	NA
"720492"	720492	"Methyl 2,6,11-tris(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2C"	0	""	""	1	1	"404310"	NA
"720493"	720493	"Methyl 2-(acetyloxy)-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	"404311"	NA
"720495"	720495	"Methyl 2,6,11-tris(acetyloxy)-5-(3,5-dimethoxybenzyl)-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	"404313"	NA
"720497"	720497	"Methyl 2,6,11-tris(acetyloxy)-5-benzyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5ccccc5"	0	""	""	1	1	"404315"	NA
"720529"	720529	"n-(6'-chrysenyl)-4-(1'-piperidinyl)-d-2,3-dioxalono-buta..."	"CC1(C)OC(C(O1)C(=O)N2CCCCC2)C(=O)Nc3cc4c5ccccc5ccc4c6ccccc36"	0	""	""	2	2	"404330"	NA
"720530"	720530	"Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone"	"CC(=O)O[C@H]1[C@H](N(C1=O)c2ccccc2)c3cc4ccccc4c5ccccc35"	0	""	""	1	1	"404331"	NA
"720531"	720531	"n,n-(6',12'-chrysenyl)-bis[4-(4'n-methyl-piperazinyl)-bu..."	"CN1CCN(CCCCNc2cc3c4ccccc4c(NCCCCN5CCN(C)CC5)cc3c6ccccc26)CC1"	0	""	""	3	3	"404332"	NA
"720538"	720538	"2-(6-(2-imidazolino)-2-benzthiazolyl)-5-(4-(2-imidazolin..."	"C1CN=C(N1)c2ccc(cc2)c3ccc(s3)c4nc5ccc(cc5s4)C6=NCCN6"	0	""	""	3	3	"404345"	NA
"720553"	720553	"(NE)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	2	2	"9572568"	NA
"720554"	720554	"N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	"CO\N=C(/C)\c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	3	3	"9572569"	NA
"720555"	720555	"Cil-102"	"CC(=O)c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	3	2	"404353"	NA
"720556"	720556	"(NE)-N-[1-[3-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	"9572570"	NA
"720557"	720557	"N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	"CO\N=C(/C)\c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	"9572571"	NA
"720558"	720558	"1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	"404356"	NA
"720559"	720559	"[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol"	"Nc1cc(CO)cc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	"404357"	NA
"720560"	720560	"1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"404358"	NA
"720561"	720561	"(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"9572572"	NA
"720563"	720563	"5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one"	"CC1(CC(=C)C(=O)O1)c2ccc(Nc3nc4ccccc4c5occc35)cc2"	0	""	""	1	1	"404361"	NA
"720564"	720564	"1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	"404362"	NA
"720565"	720565	"(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	"9572574"	NA
"720566"	720566	"N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine"	"CO\N=C(/C)\c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	"9572575"	NA
"720567"	720567	"5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one"	"CC1(CC(=C)C(=O)O1)c2cccc(Nc3nc4ccccc4c5occc35)c2"	0	""	""	1	1	"404365"	NA
"720570"	720570	"4-Acridin-9-yloxybenzaldehyde"	"O=Cc1ccc(Oc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	"404366"	NA
"720571"	720571	"1-[4-(Acridin-9-yloxy)phenyl]ethanone"	"CC(=O)c1ccc(Oc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	"404367"	NA
"720587"	720587	"4-[(4-sulfamoyl-phenylimino)-methyl]-benzoic acid methyl..."	"COC(=O)c1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	0	""	""	1	1	"404376"	NA
"720590"	720590	"4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide"	"COc1cccc(\C=C\c2ccc(cc2)S(=O)(=O)N)c1"	0	""	""	1	1	"5472641"	NA
"720591"	720591	"yuccaol c"	"COc1c(O)cc(\C=C\c2cc(O)cc3OC(=O)[C@]4(C(Oc5cc(O)cc(O)c45)c6cccc(O)c6)c23)cc1O"	0	""	""	1	1	"5472642"	NA
"720592"	720592	"yuccaol a"	"Oc1ccc(\C=C\c2cc(O)cc3OC(=O)[C@@]4(C(Oc5cc(O)cc(O)c45)c6cccc(O)c6)c23)cc1"	0	""	""	1	1	"5472643"	NA
"720597"	720597	"Oncocalyxone A"	"COC1=CC(=O)C2=C(C[C@]3(C)[C@H](O)CC=C(CO)C3=C2)C1=O"	0	""	""	1	1	"404386"	NA
"720603"	720603	"2-mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzo..."	"CC(C(=O)O)C12CCC3(C)C1CC(OS(=O)(=O)c4ccc5nc(S)sc5c4)C(C)C3C2O"	0	""	""	1	1	"5472646"	NA
"720611"	720611	"8-(5-Amino-3-phenyl-1h-pyrazol-1-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc([nH]c2C1=O)n3nc(cc3N)c4ccccc4"	0	""	""	1	1	"404394"	NA
"720612"	720612	"8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc([nH]c2C1=O)n3nc(cc3N)c4ccc(C)cc4"	0	""	""	1	1	"404395"	NA
"720614"	720614	"8-[5-Amino-3-(4-chlorophenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc(n(C)c2C1=O)n3nc(cc3N)c4ccc(Cl)cc4"	0	""	""	1	1	"404397"	NA
"720616"	720616	"8-[(2E)-2-(3-butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione"	"CCCCN1C(=O)CS/C/1=N/Nc2nc3N(C)C(=O)N(C)C(=O)c3[nH]2"	0	""	""	1	1	"9572578"	NA
"720619"	720619	"8-[(2E)-2-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione"	"CN1C(=O)N(C)c2nc(N\N=C/3\SCC(=O)N3Cc4ccccc4)n(C)c2C1=O"	0	""	""	1	1	"9572581"	NA
"720622"	720622	"4-(4-dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-..."	"CN(C)c1ccc(\C=C/2\c3cc(ccc3n4c2cc(c5ccccc5)[n+]4C)[N+](=O)[O-])cc1"	0	""	""	3	3	"5472651"	NA
"720623"	720623	"11-(4-dimethylaminobenzyliden)-6-methyl-7,8,9,10-tetrahy..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2c5CCCCc5[n+]4C)cc1"	0	""	""	3	3	"5472653"	NA
"720628"	720628	"3-(5-nitro-2-furyl)-2-(benzyl-1,3,4-triazol-2-yl)-acrylo..."	"[O-][N+](=O)c1oc(\C=C(/C#N)\c2nnc(Cc3ccccc3)[nH]2)cc1"	0	""	""	2	2	"5472657"	NA
"720634"	720634	"2-benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylam..."	"CN(C)c1cc[n+](cc1)\C(=C(\C#N)/C(=O)c2ccccc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	"5472667"	NA
"720635"	720635	"2-(4-chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenyls..."	"CN(C)c1cc[n+](cc1)\C(=C(\C#N)/C(=O)c2ccc(Cl)cc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	"5472669"	NA
"720637"	720637	"ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-di..."	"CCOC(=O)\C(=C(/NS(=O)(=O)c1cc(C)c(Cl)cc1S)\[n+]2ccc(cc2)N(C)C)\C(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"135436356"	NA
"720641"	720641	"8-chloro-3-(3,5-dimethoxyphenylamino)-7-methyl-1,2,4-tri..."	"COc1cc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)cc(OC)c1"	0	""	""	1	1	"404436"	NA
"720642"	720642	"8-chloro-3-phenylamino-7-methoxycarbonyl-1,2,4-triazolo[..."	"COC(=O)c1cc2c(Sc3nnc(Nc4ccccc4)n3S2(=O)=O)cc1Cl"	0	""	""	2	1	"404437"	NA
"720657"	720657	"2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-"	"CCCCN1C(=S)SC(=C1N)c2oc3ccccc3n2"	0	""	""	1	1	"404451"	NA
"720659"	720659	"2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-"	"NC1=C(SC(=S)N1c2ccc(Cl)cc2)c3oc4ccccc4n3"	0	""	""	1	1	"404453"	NA
"720673"	720673	"[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate"	"CC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)I(OS(=O)(=O)c4ccc(C)cc4)c5ccccc5"	0	""	""	1	1	"404461"	NA
"720674"	720674	"Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate"	"COC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)I(OS(=O)(=O)c4ccc(C)cc4)c5ccccc5"	0	""	""	1	1	"404462"	NA
"720688"	720688	"16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc5c(c34)c(nn5CCN6CCCCC6)c2c1"	0	""	""	3	2	"404463"	NA
"720689"	720689	"1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride"	"CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3C(=O)c4ccccc4Nc23)c5Nc6ccccc6C(=O)c15"	0	""	""	3	3	"439097"	NA
"720690"	720690	"paracymene-ruthenium(ii)-1,3,5-triaza-7-phosphaadamantan..."	"[R][Ru+2]([ClH-])([ClH-])P12CN3CN(CN(C3)C1)C2.CC(C)c4ccc(C)cc4"	0	NA	NA	1	1	"582538"	NA
"720700"	720700	"(2r,3r)-2,3-Bis[(benzyloxy)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"O=C1C=CC2(O[C@H](COCc3ccccc3)[C@@H](COCc4ccccc4)O2)C=C1"	0	""	""	1	1	"404468"	NA
"720702"	720702	"(2R,3R)-2,3-dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc4ccccc4)O2)C=C1"	0	""	""	2	2	"404470"	NA
"720703"	720703	"(2s,3s)-2,3-Bis(2-methoxybenzyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"COc1ccccc1C[C@@H]2OC3(O[C@H]2Cc4ccccc4OC)C=CC(=O)C=C3"	0	""	""	1	1	"404471"	NA
"720704"	720704	"(2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"COc1ccc(C[C@@H]2OC3(O[C@H]2Cc4ccc(OC)cc4)C=CC(=O)C=C3)cc1"	0	""	""	2	2	"404472"	NA
"720706"	720706	"S-[(2R,3R)-8-oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@@H]([C@H](O2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	"404474"	NA
"720707"	720707	"S-[(2S,3S)-2,3-dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@@H](Cc3ccccc3)[C@H](Cc4ccccc4)O2)c5ccccc5"	0	""	""	1	1	"404475"	NA
"720708"	720708	"S-[(2S,3S)-2,3-bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"COc1ccccc1C[C@@H]2OC3(O[C@H]2Cc4ccccc4OC)C=CC(=O)CC3SC(=O)c5ccccc5"	0	""	""	1	1	"404476"	NA
"720709"	720709	"(2s,3s)-2,3-Bis(4-methoxybenzyl)-10-(phenylsulfanyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one"	"COc1ccc(C[C@@H]2OC3(O[C@H]2Cc4ccc(OC)cc4)C=CC(=O)CC3Sc5ccccc5)cc1"	0	""	""	1	1	"404477"	NA
"720710"	720710	"S-[(2R,3R)-2,3-dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@H](C3CCCCC3)[C@H](O2)C4CCCCC4)c5ccccc5"	0	""	""	2	2	"404478"	NA
"720715"	720715	"Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccn5"	0	""	""	1	1	"404479"	NA
"720716"	720716	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3cc4ccccc4cc3n2Cc5cc(OC)cc(OC)c5"	0	""	""	2	2	"404480"	NA
"720719"	720719	"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3cc4ccccc4c(O)c3n2CCc5ccc(OC)c(OC)c5"	0	""	""	1	1	"404483"	NA
"720720"	720720	"Methyl 5-(2-chlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5Cl"	0	""	""	1	1	"404484"	NA
"720722"	720722	"Methyl 5-ethyl-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate"	"CCn1c2ccc(O)c(C(=O)OC)c2c3cc4ccccc4c(O)c13"	0	""	""	1	1	"404486"	NA
"720724"	720724	"Naphtho[2,3-b][1]benzofuran-2,6-diol"	"Oc1ccc2oc3c(O)c4ccccc4cc3c2c1"	0	""	""	1	1	"404488"	NA
"720725"	720725	"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25)cc(OC)c1"	0	""	""	1	1	"404489"	NA
"720726"	720726	"2-Hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25"	0	""	""	1	1	"404490"	NA
"720727"	720727	"1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4C(=O)c3c5c(CN(C)C)c(O)ccc25"	0	""	""	1	1	"404491"	NA
"720732"	720732	"6,7-dimethyl-1,4-di-n-oxide-3-methylquinoxalin-2-yl-4-(4..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])c(C)[n+]2[O-]"	0	""	""	1	1	"404496"	NA
"720742"	720742	"2-methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate"	"CCCCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OCC(C)C)cc2)s1"	0	""	""	1	1	"404505"	NA
"720760"	720760	"STK741596"	"Oc1ccc(Cl)cc1\C=N\C2=CNC(=O)NC2=O"	0	""	""	1	1	"404523"	NA
"720765"	720765	"methyl (e)-o-methyloxyimino-2-[2-(trifluoromethyl)phenox..."	"CO\N=C(\C(=O)OC)/c1ccccc1COc2ccccc2C(F)(F)F"	0	""	""	1	1	"6520923"	"248582732"
"720792"	720792	"4-(4-dimethylaminobenzyliden)-2-(3-dimethylaminopropylam..."	"CN(C)CCCNC(=O)c1cc2\C(=C/c3ccc(cc3)N(C)C)\c4ccccc4n2[n+]1C"	0	""	""	1	1	"5472693"	NA
"720793"	720793	"4-(4-dimethylaminobenzyliden-1-methyl-2-[n'-(3-trimethyl..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(NC(=O)NCCC[N+](C)(C)C)[n+]4C)cc1"	0	""	""	1	1	"5472695"	NA
"720795"	720795	"Dehydrobrachylaenolide"	"C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)C(=O)C=C2"	0	""	""	1	1	"404548"	NA
"720800"	720800	"2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"COCCOC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	"404550"	NA
"720812"	720812	"Rhuschalcone I"	"COc1ccc(C(=O)\C=C\c2ccc(Oc3cc(C(=O)\C=C\c4ccc(O)cc4)c(O)cc3OC)cc2)c(O)c1"	0	""	""	1	1	"5472697"	NA
"720841"	720841	"massoia lactone"	"CCCCCC1CC=CC(=O)O1"	0	""	""	1	1	"39914"	NA
"720858"	720858	"(5z)-3-bromo-5-[(4-hydroxyphenyl)methylene]-4-(3-chloro-..."	"Oc1ccc(\C=C\2/OC(=O)C(=C2c3ccc(O)c(Cl)c3)Br)cc1"	0	""	""	1	1	"5472705"	NA
"720859"	720859	"3,3',5,5'-tetramethyl-n,n-bis(pyrazol-1-ylmethyl)aniline"	"Cc1cc(C)n(CN(Cn2nc(C)cc2C)c3ccccc3)n1"	0	""	""	1	1	"404563"	NA
"720860"	720860	"3,3'-dimethoxycarbonyl-5,5'-dimethyl-n,n-bis(pyrazol-1-y..."	"COC(=O)c1cc(C)n(CN(Cn2nc(cc2C)C(=O)OC)c3ccccc3)n1"	0	""	""	1	1	"404564"	NA
"720861"	720861	"3,3'-dimethoxycarbonyl-5,5'-dimethyl-n,n-bis(pyrazol-1-y..."	"COC(=O)c1cc(C)n(CN(Cc2ccccc2)Cn3nc(cc3C)C(=O)OC)n1"	0	""	""	2	1	"404565"	NA
"720862"	720862	"3,3',5,5'-tetra-methyl-n,n-bis(pyrazol-1-ylmethyl)cycloh..."	"Cc1cc(C)n(CN(Cn2nc(C)cc2C)C3CCCCC3)n1"	0	""	""	1	1	"404566"	NA
"720865"	720865	"4-{bis[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]amino}-1-but..."	"Cc1cc(C)n(CN(CCCCO)Cn2nc(C)cc2C)n1"	0	""	""	1	1	"404569"	NA
"720872"	720872	"3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one"	"COc1ccc(CC2COc3cc(O)cc(O)c3C2=O)cc1O"	0	""	""	1	1	"404571"	NA
"720873"	720873	"3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one"	"COc1c(O)cc2OCC(Cc3ccc(O)cc3)C(=O)c2c1O"	0	""	""	1	1	"404572"	NA
"720874"	720874	"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one"	"COc1ccc(CC2COc3cc(OC)cc(OC)c3C2=O)cc1"	0	""	""	1	1	"404573"	NA
"720934"	720934	"2-[3,4,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quin..."	"COc1cc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	"404585"	NA
"720935"	720935	"2-[4-(Methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline"	"COc1ccc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	"404586"	NA
"720936"	720936	"2-[[3,5-(dimethoxy)phenoxy]amminomethyl]-3-phenyl-5,7-di..."	"COc1cc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	"404587"	NA
"720946"	720946	"[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate"	"CCCCCC(C)(C)CCC(=O)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O"	0	""	""	1	1	"404590"	NA
"720985"	720985	"Ethyl 5-hydroxy-1,2-dimethyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(C)c2c1cc(O)c3[nH]c4CCCCc4c23"	0	""	""	1	1	"404593"	NA
"720986"	720986	"Ethyl 1-benzyl-5-hydroxy-2-methyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	"404594"	NA
"720987"	720987	"Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=C4C(=O)N(C(=O)C134)c5ccccc5)Nc6ccc(Cl)cc6"	0	""	""	1	1	"404595"	NA
"720989"	720989	"9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione"	"COC1CC(=O)C2C(=O)N(C(=O)C23C(=C(C)NC13O)C(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"404597"	NA
"720991"	720991	"ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	2	1	"404599"	NA
"720992"	720992	"Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"404600"	NA
"720993"	720993	"Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"404601"	NA
"720995"	720995	"1-Acetyl-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione"	"CC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	2	1	"404603"	NA
"721019"	721019	"3,4-diacetoxyestra-1,3,5(10),9(11)-tetraen-17-one"	"CC(=O)Oc1ccc2C3=CC[C@@]4(C)C(CCC4=O)C3CCc2c1OC(=O)C"	0	""	""	1	1	"404608"	NA
"721037"	721037	"1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	"404609"	NA
"721038"	721038	"1-{3-[(2-Chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}ethanone"	"CC(=O)c1cccc(Nc2nc3ccc(Cl)cc3c4[nH]c5ccccc5c24)c1"	0	""	""	2	2	"404610"	NA
"721039"	721039	"{3-Amino-5-[(2-chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}methanol"	"Nc1cc(CO)cc(Nc2nc3ccc(Cl)cc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	"404611"	NA
"721040"	721040	"(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	2	1	"9572584"	NA
"721041"	721041	"N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine"	"CO\N=C(\C)/c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	"9572585"	NA
"721045"	721045	"9-[(2E)-2-(4-chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione"	"O\N=C(\COc1ccc2C(=O)C3=C(Oc2c1)C(=O)Oc4ccccc34)/c5ccc(Cl)cc5"	0	""	""	1	1	"9572588"	NA
"721046"	721046	"1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4(1h)-one"	"Oc1ccc(cc1)C2=CC(=O)c3ccccc3N2C4CC4"	0	""	""	1	1	"404618"	NA
"721047"	721047	"1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4(1h)-one"	"COc1ccccc1C2=CC(=O)c3ccccc3N2C4CC4"	0	""	""	1	1	"404619"	NA
"721049"	721049	"7Z-Plakortide H"	"CC\C=C\C(CC)C\C(=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)\C"	0	""	""	1	1	"5472712"	NA
"721051"	721051	"12-epi-eupalmerone"	"C[C@@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)C1=O)\C"	0	""	""	1	1	"5472714"	NA
"721052"	721052	"uprolide h"	"C[C@@H]1CCC[C@@](C)(O)\C=C/C[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)C1=O"	0	""	""	1	1	"54611651"	NA
"721054"	721054	"Elisabatin C"	"CC(=Cc1cc(C)c2c(O)cc(C)c3C(=O)C(=C(C)c1c23)O)C"	0	""	""	1	1	"404626"	NA
"721059"	721059	"3.beta.-pregna-5,20-diene-.beta.-d-xylopyranoside"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC5OCC(O)C(O)C5O)[C@@H]1CC[C@@H]2C=C"	0	""	""	1	1	"404631"	NA
"721062"	721062	"3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine"	"COc1ccc(cc1)C2CC(=Nc3c(nnn23)c4ccccc4)c5ccccc5"	0	""	""	1	1	"404634"	NA
"721064"	721064	"CBDivE_004393"	"N1C(=CC(c2ccccc2)n3nnnc13)c4ccccc4"	0	""	""	1	1	"404636"	NA
"721065"	721065	"STL045647"	"COc1ccc(cc1)C2C=C(Nc3nnnn23)c4ccccc4"	0	""	""	1	1	"404637"	NA
"721067"	721067	"3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline"	"C1CCC2=C(C1)Nc3c(nnn3C2c4ccccc4)c5ccccc5"	0	""	""	1	1	"404639"	NA
"721068"	721068	"STK008961"	"C1CCC2=C(C1)Nc3nnnn3C2c4ccccc4"	0	""	""	1	1	"404640"	NA
"721070"	721070	"STK010335"	"COc1ccc(cc1)C2C3=C(Nc4ncnn24)c5ccccc5OC3c6ccccc6"	0	""	""	1	1	"404642"	NA
"721074"	721074	"1.beta.,2.alpha.,3.beta.,11.alpha.,-tetrahydroxy-urs-12-ene"	"C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C"	0	""	""	1	1	"404646"	NA
"721075"	721075	"claritin"	"CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1"	0	""	"FDA approved"	1	1	"-1"	"79794755"
"721080"	721080	"2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	"C1N2C=Cc3ccccc3C2=Nc4c5ccccc5cc[n+]14"	0	""	""	1	1	"404653"	NA
"721081"	721081	"10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	"BrC1=CN2C[n+]3cc(Br)c4ccccc4c3N=C2c5ccccc15"	0	""	""	1	1	"404655"	NA
"721082"	721082	"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide"	"CN1C2=Nc3[n+](CN2c4ccccc14)c5ccccc5n3C"	0	""	""	1	1	"404657"	NA
"721083"	721083	"10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide"	"C1N2C(=Nc3sc4ccccc4[n+]13)Sc5ccccc25"	0	""	""	1	1	"404659"	NA
"721084"	721084	"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide"	"COc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(OC)ccc45"	0	""	""	1	1	"404661"	NA
"721095"	721095	"(4-Aminophenyl)(6-methyl-1,3-benzodioxol-5-yl)methanone"	"Cc1cc2OCOc2cc1C(=O)c3ccc(N)cc3"	0	""	""	1	1	"404671"	NA
"721116"	721116	"5-Hydroxy-2-(hydroxymethyl)-1-[2-(1h-indol-3-yl)ethyl]pyridin-4(1h)-one"	"OCC1=CC(=O)C(=CN1CCc2c[nH]c3ccccc23)O"	0	""	""	1	1	"404677"	NA
"721120"	721120	"3-(Benzyloxy)-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(OCc2ccccc2)C(=O)C=CN1CCc3c[nH]c4ccccc34"	0	""	""	1	1	"404681"	NA
"721124"	721124	"3-Hydroxy-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(O)C(=O)C=CN1CCc2c[nH]c3ccccc23"	0	""	""	1	1	"404685"	NA
"721125"	721125	"1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4(1h)-one"	"COc1ccc(CCN2C=CC(=O)C(=C2C)O)cc1OC"	0	""	""	1	1	"404686"	NA
"721126"	721126	"3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(O)C(=O)C=CN1CCc2ccc(O)cc2"	0	""	""	1	1	"404687"	NA
"721127"	721127	"2-[(2-Aminophenoxy)methyl]-5-(benzyloxy)-4h-pyran-4-one"	"Nc1ccccc1OCC2=CC(=O)C(=CO2)OCc3ccccc3"	0	""	""	1	1	"404688"	NA
"721140"	721140	"5-(p-chlorophenyl)-6,7-dihidrotieno(2,3-c)pyridin-7-one"	"Clc1ccc(cc1)C2=Cc3ccsc3C(=O)N2"	0	""	""	1	1	"404696"	NA
"721153"	721153	"4-cyanomethyl-1-methyl-4h-pyrazolo[1,5-a]indolium triflu..."	"C[n+]1ccc2\C(=C/C#N)\c3ccccc3n12"	0	""	""	1	1	"5472727"	NA
"721154"	721154	"11-cyanomethylen-2-methoxy-6-methyl-11h-indolo[1,2-b]ind..."	"COc1ccc2c(c1)\C(=C\C#N)\c3c4ccccc4[n+](C)n23"	0	""	""	2	2	"5472729"	NA
"721179"	721179	"n-acetyl-nor-muramyl-1-o-benyl-l-alanyl-d-(gama)-isoglut..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)OCCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)N"	0	""	""	1	1	"404710"	NA
"721184"	721184	"3-(4-hydroxyphenyl)-6-iodo-2-(2-thienyl)-3h-quinazolin-4..."	"Oc1ccc(cc1)N2C(=O)c3cc(I)ccc3N=C2c4cccs4"	0	""	""	1	1	"404713"	NA
"721187"	721187	"n-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))be..."	"Ic1ccc2N=C(N(NC(=O)c3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	"404716"	NA
"721191"	721191	"4-(6-iodo-4-oxo-2-(2-thienyl)-3h-quinazolin-3-yl)benzene..."	"NS(=O)(=O)c1ccc(cc1)N2C(=O)c3cc(I)ccc3N=C2c4cccs4"	0	""	""	1	1	"404720"	NA
"721196"	721196	"6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one"	"Ic1ccc2N=C(N(Nc3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	"404725"	NA
"721273"	721273	"4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline"	"CCSc1nc(nc2ccc(I)cc12)c3cccs3"	0	""	""	1	1	"404775"	NA
"721276"	721276	"n-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(p..."	"Ic1ccc2N=C(N(NC(=O)Nc3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	"404778"	NA
"721279"	721279	"3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3h-quinazol..."	"Ic1ccc2N=C(N(\N=C\c3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	"9572590"	NA
"721294"	721294	"Distomadine A"	"NC(=N)NCCC1OC(=O)C2=C1c3c(O)ccc4nccc(O2)c34"	0	""	""	1	1	"10087738"	NA
"721297"	721297	"[au(terpy)cl]cl2]"	"[Cl-].[ClH-][Au+3]12[n+]3ccccc3c4cccc(c5cccc[n+]15)[n+]24"	0	NA	NA	1	1	"582542"	NA
"721316"	721316	"n-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethana..."	"NNC(=O)COc1nc(nc2ccc(I)cc12)c3cccs3"	0	""	""	1	1	"404798"	NA
"721318"	721318	"4-(((6-iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)be..."	"NS(=O)(=O)c1ccc(CNc2nc(nc3ccc(I)cc23)c4cccs4)cc1"	0	""	""	1	1	"404800"	NA
"721319"	721319	"((4-((6-iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)..."	"Ic1ccc2nc(nc(Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c2c1)c5cccs5"	0	""	""	3	2	"404801"	NA
"721333"	721333	"2-S-dimethylarsino-2-thiobenzoic acid"	"C[As](C)Sc1ccccc1C(=O)O"	0	""	""	2	2	"404813"	NA
"721381"	721381	"O-Methyl antimycin A1"	"CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2OC)[C@@H](C)OC1=O.CCCCCC[C@@H]3[C@@H](OC(=O)C(C)CC)[C@H](C)OC(=O)[C@@H](NC(=O)c4cccc(NC=O)c4OC)[C@@H](C)OC3=O"	0	""	""	1	1	"404835"	"118890383"
"721382"	721382	"tremulacin"	"OCC1OC(Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)C(OC(=O)c4ccccc4)C(O)C1O"	0	""	""	1	1	"404838"	NA
"721385"	721385	"5-fluoro-2'-deoxyuridyl 5-nitrofuryl n-methyl-n-(4-chlor..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"404841"	NA
"721386"	721386	"5-fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl n-..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCC3=CC(=O)c4ccccc4C3=O"	0	""	""	2	2	"404842"	NA
"721387"	721387	"5-fluoro-2'-deoxyuridyl 2-(5-methoxy-n-methylindoloquino..."	"COC1=CC(=O)c2c(cc(COP(=O)(OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)N(C)CCCCCl)n2C)C1=O"	0	""	""	2	2	"404843"	NA
"721388"	721388	"5'-arabinocytosyl 5-nitrofurfuryl n-methyl-n-(4-chlorobu..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"404844"	NA
"721389"	721389	"2',3'-dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl n-..."	"CN(CCCCCl)P(=O)(OCC1OC(C=C1)N2C=C(C)C(=O)NC2=O)OCC3=CC(=O)c4ccccc4C3=O"	0	""	""	1	1	"404845"	NA
"721390"	721390	"2',3'-dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl n-..."	"CN(CCCCCl)P(=O)(OCC1OC(C=C1)N2C=C(C)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"404846"	NA
"721391"	721391	"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(OP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	2	2	"404847"	NA
"721392"	721392	"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(OP(=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c4ccc(OCC5CCCCC5)c(c4)C(=O)N"	0	""	""	1	1	"404848"	NA
"721393"	721393	"5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)C(Cc1ccc(OP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)NC(=O)C)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	1	1	"404849"	NA
"721395"	721395	"5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(NP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	1	1	"404851"	NA
"721398"	721398	"5-Hydroxy-6, 7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone"	"COc1cc2OCC(Cc3ccc(O)cc3)C(=O)c2c(O)c1OC"	0	""	""	1	1	"404854"	NA
"721400"	721400	"5-hydroxy-3',4', 7-trimethoxyspiro{2h-1-benzopyran, 7'-b..."	"COc1cc(O)c2C(=O)C3(COc2c1)Cc4cc(OC)c(OC)cc34"	0	""	""	1	1	"404856"	NA
"721402"	721402	"5, 6, 7-trihydroxy-3', 4'-dimethoxyspiro{2h-1-benzopyran..."	"COc1cc2CC3(COc4cc(O)c(O)c(O)c4C3=O)c2cc1OC"	0	""	""	1	1	"404858"	NA
"721403"	721403	"1,4-di-n-oxide-2-acethyl-3-bromomethylquinoxalina"	"CC(=O)c1c(CBr)[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	"404859"	NA
"721513"	721513	"2-(n,n-bis(2-bromoethyl)phosphorodiamidoxy)methyl-1-meth..."	"COC1=CC(=O)c2c(cc(COP(=O)(N)N(CCBr)CCBr)n2C)C1=O"	0	""	""	1	1	"404935"	NA
"721514"	721514	"2-(n,n-bis(2-chloroethyl)phosphorodiamidoxy)methyl-1-met..."	"COC1=CC(=O)c2c(cc(COP(=O)(N)N(CCCl)CCCl)n2C)C1=O"	0	""	""	2	2	"404936"	NA
"721515"	721515	"3-Acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione"	"COC1=CC(=O)c2c(C1=O)c(COC(=O)C)cn2C"	0	""	""	1	1	"404937"	NA
"721517"	721517	"Zoledronate"	"OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O"	0	"AM|NonCan:Anti-bone resorp"	"FDA approved"	2	1	"68740"	"118072938"
"721531"	721531	"4-amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Nc1c([nH]c(Nc2ccc(Cl)cc2)c1C(=S)Nc3ccccc3)C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	"5472776"	NA
"721535"	721535	"4-amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Nc1c([nH]c(NCc2ccccc2)c1C(=S)Nc3ccccc3)C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	"5472780"	NA
"721554"	721554	"4-amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Cc1ccc(cc1)C(=O)c2[nH]c(Nc3ccc(Cl)cc3)c(C(=S)Nc4ccccc4)c2N"	0	""	""	1	1	"5472799"	NA
"721605"	721605	"2-(4-ethyl)piperazinyl,3-(3',4'-dimethoxy)benzoyl quinox..."	"CCN1CCN(CC1)c2nc3ccccc3nc2C(=O)c4ccc(OC)c(OC)c4"	0	""	""	1	1	"404974"	NA
"721610"	721610	"Malyngamide S"	"CCCCC[C@@H](C\C=C\CCC(=O)NC\C(=C\Cl)\[C@H]1C(=O)C(C)(C)C(=O)[C@@H](C)[C@@]1(C)O)OC"	0	""	""	1	1	"643654"	NA
"721618"	721618	"lissoclinolide tetrenolin"	"OC\C=C\C=C\1/OC(=O)C(=C1)\C=C\CO"	0	""	""	1	1	"5472800"	NA
"721619"	721619	"Protoleucomelone"	"CC(=O)Oc1ccc(cc1)c2c(OC(=O)C)c(OC(=O)C)c(c(OC(=O)C)c2OC(=O)C)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	""	""	1	1	"404979"	NA
"721620"	721620	"[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate"	"CCC(C)C1=C(O)[N+]2([O-])Oc3ccc(cc3OC2(C(C)CC)C(=O)N1O)c4c(O)c(O)c(c(OC(=O)C)c4OC(=O)C)c5ccc(O)cc5"	0	""	""	1	1	"404980"	NA
"721621"	721621	"Sarcodonin peracetate"	"CC[C@H](C)C1=C(OC(=O)C)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC(=O)C)c4c(OC(=O)C)c(OC(=O)C)c(c(OC(=O)C)c4OC(=O)C)c5ccc(OC(=O)C)cc5"	0	""	""	1	1	"404981"	NA
"721644"	721644	"5-Fluoro-2-(3-hydroxyphenyl)benzothiazole"	"Oc1cccc(c1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"404991"	NA
"721645"	721645	"5-fluoro-2-(3-hydroxy-4-methoxy)benzothiazole"	"COc1ccc(cc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"404992"	NA
"721646"	721646	"5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole"	"COc1cc(ccc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"404993"	NA
"721647"	721647	"5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole"	"CCOc1cc(ccc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"404994"	NA
"721650"	721650	"5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole"	"COc1cc(OC)cc(c1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"404996"	NA
"721651"	721651	"6-Methoxy-2-(4-hydroxyphenyl)benzothiazole"	"COc1ccc2nc(sc2c1)c3ccc(O)cc3"	0	""	""	1	1	"404997"	NA
"721655"	721655	"6-Chloro-2-(4-hydroxyphenyl)benzothiazole"	"Oc1ccc(cc1)c2nc3ccc(Cl)cc3s2"	0	""	""	1	1	"405001"	NA
"721657"	721657	"6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole"	"CCOc1ccc2nc(sc2c1)c3ccc(O)cc3"	0	""	""	1	1	"405003"	NA
"721659"	721659	"4-Methyl-2-(4-hydroxyphenyl)benzothiazole"	"Cc1cccc2sc(nc12)c3ccc(O)cc3"	0	""	""	1	1	"405005"	NA
"721660"	721660	"5-Fluoro-2-(4-hydroxyphenyl)benzothiazole"	"Oc1ccc(cc1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	"405006"	NA
"721662"	721662	"4-Benzothiazol-2-yl-2-ethynyl-phenylamine"	"Nc1ccc(cc1C#C)c2nc3ccccc3s2"	0	""	""	1	1	"405007"	NA
"721685"	721685	"4-N-(3-chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine"	"COc1ccccc1\C=C\c2c(N)ncnc2Nc3cccc(Cl)c3"	0	""	""	1	1	"5472820"	NA
"721878"	721878	"5-acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide"	"CC(=O)c1[nH]c(NCc2ccccc2)c(C(=S)Nc3ccccc3)c1N"	0	""	""	1	1	"5472829"	NA
"721879"	721879	"5-acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide"	"CCCNc1[nH]c(C(=O)C)c(N)c1C(=S)Nc2ccccc2"	0	""	""	1	1	"5472830"	NA
"721880"	721880	"5-acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide"	"CC(C)Nc1[nH]c(C(=O)C)c(N)c1C(=S)Nc2ccccc2"	0	""	""	1	1	"5472831"	NA
"721951"	721951	"darinaparsin pyridinium hyrochloride"	"[Cl-].C[As](C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.c1ccncc1"	0	""	""	3	2	"405069"	NA
"721952"	721952	"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione"	"[O-][N+](=O)c1ccc(cc1)C(=O)CC(C2C(=O)NC(=O)NC2=O)c3ccccc3"	0	""	""	1	1	"405071"	NA
"721957"	721957	"5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]pyrimidine-2,4,6(1h,3h,5h)-trione"	"Clc1ccc(cc1)C(CC(=O)c2ccc(Cl)cc2)C3C(=O)NC(=O)NC3=O"	0	""	""	1	1	"405076"	NA
"721965"	721965	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione"	"COc1ccc(cc1)C(CC(=O)c2ccccc2)C(C(C3C(=O)NC(=O)NC3=O)c4ccc(OC)cc4)C(=O)c5ccccc5"	0	""	""	1	1	"405084"	NA
"721966"	721966	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"COc1ccc(cc1)C(CC(=O)c2ccccc2)C(C(C3C(=O)NC(=S)NC3=O)c4ccc(OC)cc4)C(=O)c5ccccc5"	0	""	""	1	1	"5472840"	NA
"721970"	721970	"7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"Clc1ccccc1C2CC(=O)CC(c3ccccc3Cl)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	"405089"	NA
"721971"	721971	"7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione"	"Clc1ccccc1C2CC(=O)CC(c3ccccc3Cl)C24C(=O)NC(=S)NC4=O"	0	""	""	1	1	"5472843"	NA
"721972"	721972	"7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"[O-][N+](=O)c1cccc(c1)C2CC(=O)CC(c3cccc(c3)[N+](=O)[O-])C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	"405091"	NA
"722052"	722052	"(-)-Dibenzylnortrachelogenin"	"COc1cc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(OCc4ccccc4)c(OC)c3)ccc1OCc5ccccc5"	0	""	""	1	1	"405098"	NA
"722054"	722054	"8,8'-(3,3'-dimethoxybenzyl)-8-hydroxy-butyrolacton"	"COc1cccc(C[C@H]2COC(=O)[C@]2(O)Cc3cccc(OC)c3)c1"	0	""	""	1	1	"405100"	NA
"722061"	722061	"4-chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobe..."	"Clc1ccc(NS(=O)(=O)NC(=O)OCc2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	"405107"	NA
"722066"	722066	"dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate"	"COC(=O)c1cc2CCC3C(C)(C)CCC[C@]3(C)c2cc1C(=O)OC"	0	""	""	1	1	"405112"	NA
"722071"	722071	"(1R,3R,6Z,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one"	"CC(=C)[C@@H]1C[C@H]2O[C@]2(C)CC\C=C(/C)\CC\C=C(\C)/C(=O)C1"	0	""	""	1	1	"5472849"	NA
"722077"	722077	"(3aS,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one"	"C[C@H](CCCC(=O)C)[C@@H]1O[C@@H](C[C@@H]2[C@H]1OC(=O)C2=C)[C@@]3(C)CCC(=O)O3"	0	""	""	1	1	"405122"	NA
"722115"	722115	"n-cyclohexyl-n',n''-bis-(4-methoxy-benzyl)-[1,3,5]triazi..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	"405123"	NA
"722134"	722134	"Sonolisib"	"COC[C@H]1OC(=O)\C(=C/N(CC=C)CC=C)\C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(=O)C)[C@@]12C"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1351998838"
"722162"	722162	"1-p-Chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine"	"NC1=NC(=S)N(c2ccc(Cl)cc2)c3nc4ccccc4cc13"	0	""	""	1	1	"5472852"	NA
"722170"	722170	"2-(4-methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[..."	"COc1ccc(cc1)c2nc3ncccn3c2c4ccc(SC)cc4"	0	""	""	1	1	"405133"	NA
"722175"	722175	"2-[[4-(methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammin..."	"COc1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	"405138"	NA
"722176"	722176	"2-[3,5-(dimethoxy)phenoxy]-3-phenyl-5,7-diammino quinoxa..."	"COc1cc(OC)cc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)c1"	0	""	""	1	1	"405139"	NA
"722177"	722177	"2-[3,5-(dimethoxy)anilino]-3-phenyl-5,7-diammino quinoxa..."	"COc1cc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	"405140"	NA
"722211"	722211	"N-(4-Fluoro-3-nitrophenyl)sydnone"	"Oc1on[n+](c1)c2ccc(F)c(c2)[N+](=O)[O-]"	0	""	""	1	1	"405167"	NA
"722212"	722212	"N-(4-Chloro-3-nitrophenyl)sydnone"	"Oc1on[n+](c1)c2ccc(Cl)c(c2)[N+](=O)[O-]"	0	""	""	1	1	"405169"	NA
"722216"	722216	"Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt"	"Oc1ccccc1\C=C\C(=O)\C=C\c2ccccc2O"	0	""	""	1	1	"54611557"	NA
"722218"	722218	"Varacin trifluoroacetate salt"	"COc1cc(CCN)c2SSSSSc2c1OC"	0	""	""	2	2	"54611558"	NA
"722219"	722219	"(+-)-2,2-dimethylpropionic acid (z)-{2-(hydroxymethyl)-4..."	"CC(C)CC(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"	0	NA	NA	2	2	"536392"	NA
"722222"	722222	"1H-pyrimido[4,5-b]quinoline-2,4-dithione"	"S=C1NC(=S)c2cc3ccccc3nc2N1"	0	""	""	1	1	"5472868"	NA
"722307"	722307	"1-o-octadecyl-(2->5')-(3'-c-ethinylcytidylyl)-(3->5')-(5..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	NA	NA	3	2	"536441"	NA
"722308"	722308	"n4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-..."	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N)C(O)C2O"	0	""	""	3	2	"405222"	NA
"722315"	722315	"N-[(E)-1-quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3ccc4ccccc4n3"	0	""	""	1	1	"9572606"	NA
"722316"	722316	"1-methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3ccc4ccccc4n3"	0	""	""	2	2	"9572607"	NA
"722317"	722317	"N-[(E)-1-quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine"	"C\C(=N/Nc1oc2ccccc2n1)\c3ccc4ccccc4n3"	0	""	""	1	1	"9572608"	NA
"722318"	722318	"N-[(E)-1-quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3ccc4ccccc4n3"	0	""	""	1	1	"9572609"	NA
"722321"	722321	"N'-[5-cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(cc2)[N+](=O)[O-])NNC(=O)C"	0	""	""	1	1	"5472891"	NA
"722325"	722325	"2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(cc2)[N+](=O)[O-])N\N=C\c3ccccc3"	0	""	""	1	1	"9572610"	NA
"722326"	722326	"4-(1,3-benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc3OCOc3c2)N\N=C\c4ccccc4"	0	""	""	1	1	"9572611"	NA
"722327"	722327	"4-(4-chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(Cl)cc2)N\N=C\c3ccc(Cl)cc3"	0	""	""	1	1	"9572612"	NA
"722336"	722336	"2-(3',3'-dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CC(C)(C)C"	0	""	""	1	1	"405235"	NA
"722337"	722337	"2-(5'-cyanopent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CCCCC#N"	0	""	""	1	1	"405236"	NA
"722338"	722338	"2-cyclohexylethynyl-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CC2CCCCC2"	0	""	""	1	1	"405237"	NA
"722339"	722339	"2-[2'-(1''-hydroxycyclohex-1''-yl)-ethynyl]-4,6-dimethox..."	"COc1nc(OC)nc(n1)C#CC2(O)CCCCC2"	0	""	""	1	1	"405238"	NA
"722340"	722340	"2-(4'-hydroxypent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CCC(C)O"	0	""	""	1	1	"405239"	NA
"722341"	722341	"2-(3'-hydroxy-3'-methylbut-1'-ynyl)-4,6-di-(4''-methoxyp..."	"COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(n2)C#CC(C)(C)O)cc1"	0	""	""	1	1	"405240"	NA
"722357"	722357	"Lissoclinidine"	"CC(=O)NCCc1c2Nc3ccccc3c4ccnc(c5OCSc15)c24"	0	""	""	2	2	"10005246"	NA
"722391"	722391	"(3S,4aS)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione"	"CC1=C2[C@H](C[C@H](O1)N3CCCCCC3=O)C(=O)c4ccccc4C2=O"	0	""	""	1	1	"54611662"	NA
"722392"	722392	"(11R,15S,17S)-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione"	"C[C@@H]1O[C@@H]2OCC[C@@H]2C3=C1C(=O)c4ccccc4C3=O"	0	""	""	1	1	"54611663"	NA
"722394"	722394	"(10S,11R,15S)-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione"	"CC1=C2[C@H]([C@H]3CCO[C@H]3O1)C(=O)c4ccccc4C2=O"	0	""	""	1	1	"54611664"	NA
"722395"	722395	"Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"405259"	NA
"722396"	722396	"Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(Cc2ccccc2)C(=O)c3ccccc3C(=O)c4c(O)ccc(O)c14"	0	""	""	1	1	"405260"	NA
"722416"	722416	"pyrido[1',2':1,2]pyrimido[4,5-b]indole, 12-propyl"	"CCCc1c2c3ccccc3nc2nc4ccccn14"	0	""	""	1	1	"405263"	NA
"722422"	722422	"5h-pyrido[3',4':4,5]pyrrolo[2,3-b]quinoline, 11-methyl"	"Cc1c2ccccc2nc3[nH]c4ccncc4c13"	0	""	""	1	1	"5472897"	NA
"722423"	722423	"5h-pyrido[3',4':4,5]pyrrolo[2,3-b][1,6]naphthyridine, 11..."	"Cc1c2cnccc2nc3[nH]c4ccncc4c13"	0	""	""	1	1	"5472898"	NA
"722434"	722434	"Tert-butyl 2-[(4-methylphenyl)amino]-4-oxo[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate"	"Cc1ccc(NC2=NC(=O)c3c(S2)n(C(=O)OC(C)(C)C)c4ccccc34)cc1"	0	""	""	1	1	"405281"	NA
"722453"	722453	"5,6-dihydro-8,9-methylenedioxy-5,11-dioxo-6-propyl-11h-i..."	"CCCN1C(=O)c2ccccc2C3=C1c4cc5OCOc5cc4C3=O"	0	""	""	1	1	"11393445"	NA
"722460"	722460	"(Z)-3-chloro-4-(4'-hydroxyphenyl)-5-(3"	"Oc1ccc(cc1)C2=C(Cl)C(=O)O/C/2=C\c3ccc(O)c(Br)c3"	0	""	""	1	1	"5472908"	NA
"722463"	722463	"3-chloro-4-(4-chlorophenyl)-5H-furan-2-one"	"ClC1=C(COC1=O)c2ccc(Cl)cc2"	0	""	""	1	1	"405305"	NA
"722500"	722500	"n-cyclohexyl-n'-(3,4-dimethoxy-benzyl)-n''-(4-methoxy-be..."	"COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	"405307"	NA
"722501"	722501	"n,n'-dicyclohexyl-n''-(4-methoxy-benzyl)-[1,3,5]triazine..."	"COc1ccc(CNc2nc(NC3CCCCC3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	"405308"	NA
"722502"	722502	"n,n'-bis-(4-methoxy-benzyl)-6-morpholin-4-yl-[1,3,5]tria..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(n2)N4CCOCC4)cc1"	0	""	""	1	1	"405309"	NA
"722503"	722503	"n-isopropyl-n',n''-bis-(4-methoxy-benzyl)-[1,3,5]triazin..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC(C)C)n2)cc1"	0	""	""	1	1	"405310"	NA
"722504"	722504	"n,n'-bis-(4-methoxy-benzyl)-n''-phenyl-[1,3,5]triazine-2..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(Nc4ccccc4)n2)cc1"	0	""	""	1	1	"405311"	NA
"722508"	722508	"2-(4-Ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline"	"CCN1CCN(CC1)c2nc3ccccc3nc2C(=O)c4ccc(OC)cc4"	0	""	""	1	1	"405315"	NA
"722517"	722517	"N-[[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-carboxamide"	"COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c6ccc7ccccc7n6)c2c1O"	0	""	""	2	2	"405320"	NA
"722518"	722518	"N-[[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2-carboxamide"	"COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c6cnc7ccccc7n6)c2c1O"	0	""	""	3	2	"405321"	NA
"722546"	722546	"8,11-Dichlorocryptolepine hydrochloride"	"Cn1c2ccccc2c(Cl)c3nc4cc(Cl)ccc4c13"	0	""	""	1	1	"405328"	NA
"722547"	722547	"6,7-Difluorocryptolepine hydrochloride"	"Cn1c2ccccc2cc3nc4ccc(F)c(F)c4c13"	0	""	""	1	1	"405330"	NA
"722558"	722558	"N-[3-(dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NS(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3)cn2C)cn1C"	0	""	""	1	1	"405335"	NA
"722563"	722563	"N-[3-(dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)cn1C"	0	""	""	1	1	"405340"	NA
"722564"	722564	"Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"405341"	NA
"722565"	722565	"9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile"	"CC1=C(C#N)C23C(=O)c4ccccc4C(=O)C2=C(O)C=CC3(O)N1"	0	""	""	1	1	"405342"	NA
"722566"	722566	"9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione"	"CC1(C)CC(=O)C2=C(C1)N(c3ccccc3)C4(O)C=CC(=C5C(=O)c6ccccc6C(=O)C245)O"	0	""	""	1	1	"405343"	NA
"722567"	722567	"ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(C)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	"405344"	NA
"722568"	722568	"ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(Cl)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	"405345"	NA
"722569"	722569	"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4n(Cc5ccccc5)c3c2nc1C"	0	""	""	1	1	"405346"	NA
"722572"	722572	"ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	"405349"	NA
"722573"	722573	"ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	"405350"	NA
"722576"	722576	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione"	"CC(=O)C1=C(C)N(c2ccccc2)C3(O)C4=C(C(=CC13Cl)O)C(=O)c5ccccc5C4=O"	0	""	""	1	1	"405353"	NA
"722600"	722600	"3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)"	"[Na+].NCCC(O)(P(=O)(O)O)P(=O)(O)O"	0	NA	NA	1	1	"536587"	"57248881"
"722650"	722650	"N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)n5)n(C)n4"	0	""	""	1	1	"405408"	NA
"722651"	722651	"N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)n6)n(C)n5)n(C)n4"	0	""	""	1	1	"405409"	NA
"722653"	722653	"N-[3-(dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)n6)n(C)c5)n(C)c4"	0	""	""	1	1	"405411"	NA
"722657"	722657	"partricin a  2-pyridinylethylamide"	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(N)C4O)\C=C\C=C\C=C\C=C/C=C\C=C\C=C/C2C)O3)C(=O)NCCc5ccccn5"	0	NA	NA	2	2	"536628"	"137042332"
"722659"	722659	"n-methylpiperazinoacetyl-partricin a dimethylaminoethyla..."	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(NC(=O)CN5CCN(C)CC5)C4O)\C=C\C=C\C=C\C=C/C=C\C=C\C=C/C2C)O3)C(=O)NCCN(C)C"	0	NA	NA	1	1	"536630"	"143483776"
"722663"	722663	"invirase"	"CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4"	0	NA	NA	2	1	"536634"	NA
"722730"	722730	"2-oxo-4-phenyl-1,2,3,4-tetrahydro-benz[4,5]imidazo[1,2-a..."	"O=CC1C(c2ccccc2)n3c(NC1=O)nc4ccccc34"	0	""	""	1	1	"405423"	NA
"722731"	722731	"2-chloro-4-phenyl-3,4-benz[4,5]imidazo[1,2-a]pyrimidin-3..."	"ClC1=Nc2nc3ccccc3n2C(C1C=O)c4ccccc4"	0	""	""	1	1	"405424"	NA
"722739"	722739	"4-(4-methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,4-dih..."	"COc1ccc(cc1)C2C(C=O)C(=Nc3nc4ccccc4n23)N5CCN(C)CC5"	0	""	""	1	1	"405432"	NA
"722743"	722743	"2-chloro-4-(4-nitrophenyl)-3,4-dihydro-benzo[4,5]imidazo..."	"[O-][N+](=O)c1ccc(cc1)C2C(C=O)C(=Nc3nc4ccccc4n23)Cl"	0	""	""	1	1	"405436"	NA
"722757"	722757	"AG 490, m-CF3"	"Oc1ccc(\C=C(/C#N)\C(=O)NCc2cccc(c2)C(F)(F)F)cc1O"	0	""	""	1	1	"11516050"	NA
"722779"	722779	"dabequine"	"CCN(CC)CCCC(C)Nc1ccnc2cc3ccccc3cc12"	0	""	""	1	1	"405448"	NA
"722781"	722781	"trans-bis(acetato)amminepyridineplatinum(II)"	"CC(=O)[O-][Pt+2](N)([O-]C(=O)C)[n+]1ccccc1"	0	""	""	1	1	"405450"	NA
"722782"	722782	"trans-bis(acetato)ammineisoquinolineplatinum(II)"	"CC(=O)[O-][Pt+2](N)([O-]C(=O)C)[n+]1ccc2ccccc2c1"	0	""	""	1	1	"405451"	NA
"722804"	722804	"ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)OCC)C(=O)OCC)c3cccs3)OCC"	0	""	""	1	1	"54695397"	NA
"722812"	722812	"5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile"	"OC1=C(C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C#N)c4c(Cl)cccc4Cl)C(=O)NC(=C1C#N)N5CCOCC5"	0	""	""	1	1	"54689426"	NA
"722821"	722821	"ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)OCC)C(=O)OCC)c3ccc(F)cc3)OCC"	0	""	""	1	1	"54695411"	NA
"722825"	722825	"5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile"	"OC1=C(C(C2=C(O)C(=C(NC2=O)N3CCCC3)C#N)c4c(Cl)cccc4Cl)C(=O)NC(=C1C#N)N5CCCC5"	0	""	""	1	1	"54695414"	NA
"722843"	722843	"2-hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid ..."	"COC(=O)c1cc(\C=C\c2ccc(cc2)S(=O)(=O)N)ccc1O"	0	""	""	1	1	"5472924"	NA
"722853"	722853	"6,7-difluor-1,4-di-n-oxide-2-bencyloxicarbonyl-3methylqu..."	"Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	"405496"	NA
"722854"	722854	"1,4-di-n-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxa..."	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccccc13)C(F)(F)F"	0	""	""	1	1	"405497"	NA
"722858"	722858	"maleimide carbazole"	"O=C1CCc2c(CC1)c3[nH]c4ccccc4c3c5C(=O)NC(=O)c25"	0	""	""	1	1	"405501"	NA
"722859"	722859	"maleimide carbazole"	"NCCCn1c2ccccc2c3c4C(=O)NC(=O)c4c5CCC(O)CCc5c13"	0	""	""	1	1	"405502"	NA
"722864"	722864	""	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	NA	NA	1	1	"536725"	NA
"722866"	722866	"2-[(E)-[2-chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1ccc(OC)c(c1c2nc3sc(Cl)cn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"9572615"	NA
"722867"	722867	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	"16099260"	NA
"722868"	722868	"2-[(E)-[2-chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	"9572619"	NA
"722869"	722869	"2-[(E)-[6-(3,6-dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1ccc(OC)c(c1c2nc3sc(C)cn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"9572621"	NA
"722871"	722871	"2-[(E)-[2-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"9572625"	NA
"722873"	722873	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c(\C=N\NC(=N)N)n12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	"9572629"	NA
"722874"	722874	"2-[(Z)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"54612614"	NA
"722875"	722875	"2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"54612616"	NA
"722877"	722877	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1sc2nc(c3cc(c(Cl)cc3Cl)[N+](=O)[O-])c(\C=N\NC(=N)N)n2c1C"	0	""	""	1	1	"9572631"	NA
"722900"	722900	"n-(3-iodo-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCCI)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027806"	NA
"722913"	722913	"3-(4-methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,4-..."	"Cc1ccc(cc1)C2=NOC3=C4C=CC=CC4=CSC3=C2c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"405550"	NA
"722916"	722916	"3-(4-methoxyphenyl)-4-phenylisothiochromeno[3,4-e][1,2]o..."	"COc1ccc(cc1)C2=NOC3=C4C=CC=CC4=CSC3=C2c5ccccc5"	0	""	""	1	1	"405553"	NA
"722940"	722940	"4,6-diethylthiopyrazolo[3,4-d]pyrimidine"	"CCSc1nc(SCC)c2cn[nH]c2n1"	0	""	""	1	1	"405572"	NA
"722946"	722946	"4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion"	"S=C1Nc2[nH]ncc2C(=N1)N3CCCCC3"	0	""	""	1	1	"135436397"	NA
"722948"	722948	"4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine"	"CCSc1nc(N)c2cnn(C)c2n1"	0	""	""	1	1	"405580"	NA
"722949"	722949	"4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol"	"Cn1ncc2c(\N=C\c3cccs3)nc(S)nc12"	0	""	""	2	2	"135436399"	NA
"722957"	722957	"4-(p-Methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion"	"Cc1ccc(NC2=NC(=S)Nc3[nH]ncc23)cc1"	0	""	""	1	1	"135436400"	NA
"722962"	722962	"6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	"CCSc1nc(N2CCOCC2)c3cn[nH]c3n1"	0	""	""	1	1	"405595"	NA
"722963"	722963	"4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine"	"Cn1ncc2c(N)nc(nc12)N3CCCCC3"	0	""	""	1	1	"405596"	NA
"722974"	722974	"1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione"	"CN(C)Cc1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	"405604"	NA
"722977"	722977	"9-acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	"405607"	NA
"722981"	722981	"17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(c2ccccc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"405611"	NA
"722982"	722982	"17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	"405612"	NA
"722985"	722985	"ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C(CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5)OC"	0	""	""	1	1	"405615"	NA
"722987"	722987	"ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	"405617"	NA
"722989"	722989	"Triethyl 2-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4h-benzo[g]indole-3,4,4-tricarboxylate"	"CCOC(=O)c1c(C)n(c2ccc(C)cc2)c3c4ccccc4C(=O)C(C(=O)OCC)(C(=O)OCC)c13"	0	""	""	3	2	"405619"	NA
"722990"	722990	"ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C(CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5)OC"	0	""	""	1	1	"405620"	NA
"722992"	722992	"Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)c(cc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5)[N+](=O)[O-]"	0	""	""	1	1	"5472966"	NA
"722995"	722995	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C4=C(C(=CC13Cl)O)C(=O)c5ccccc5C4=O"	0	""	""	1	1	"405625"	NA
"722996"	722996	"2-(4-chloro-benzyl)-1h-naphth[2,3-d]imidazole"	"Clc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	1	1	"405626"	NA
"722997"	722997	"2-(3,4-dichloro-benzyl)-1h-naphth[2,3-d]imidazole"	"Clc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1Cl"	0	""	""	1	1	"405627"	NA
"722998"	722998	"2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole"	"FC(F)(F)c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	1	1	"405628"	NA
"723001"	723001	"diethyl-n[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-l..."	"CCOC(=O)CCC(NC(=O)Cc1ccc(Oc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCC"	0	""	""	1	1	"405631"	NA
"723118"	723118	"6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	"C(Sc1nc(N2CCOCC2)c3cn[nH]c3n1)c4ccccc4"	0	""	""	1	1	"405659"	NA
"723121"	723121	"4-theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyri..."	"S=C1Nc2[nH]ncc2C(=N1)N\N=C\c3cccs3"	0	""	""	1	1	"135436412"	NA
"723122"	723122	"4-furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrim..."	"S=C1Nc2[nH]ncc2C(=N1)N\N=C\c3occc3"	0	""	""	1	1	"135436414"	NA
"723125"	723125	"4-(p-methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo..."	"COc1ccc(\C=N\NC2=NC(=S)Nc3[nH]ncc23)cc1"	0	""	""	1	1	"135436418"	NA
"723130"	723130	"8-chloro-7-cyano-3-phenylamino-1,2,4-triazolo[4,3-b][1,4..."	"Clc1cc2Sc3nnc(Nc4ccccc4)n3S(=O)(=O)c2cc1C#N"	0	""	""	2	2	"405673"	NA
"723133"	723133	"8-chloro-7-cyano-3-(3,5-dimethylphenylamino)-1,2,4-triaz..."	"Cc1cc(C)cc(Nc2nnc3Sc4cc(Cl)c(cc4S(=O)(=O)n23)C#N)c1"	0	""	""	1	1	"405676"	NA
"723134"	723134	"8-chloro-3-(3,5-dimethylphenylamino)-7-methyl-1,2,4-tria..."	"Cc1cc(C)cc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)c1"	0	""	""	1	1	"405677"	NA
"723148"	723148	"6-chloro-3-(2-hydroxyphenyl)-7-methyl-2,3-dihydro-1,4,2-..."	"Cc1cc2c(SC(NS2(=O)=O)c3ccccc3O)cc1Cl"	0	""	""	1	1	"405695"	NA
"723153"	723153	"4-chloro-5-methyl-2-(4-nitrophenylhydrazone-n-benzyliden..."	"[K+].Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccccc3)cc1Cl)S(=O)(=O)NC#N"	0	""	""	1	1	"54612547"	NA
"723154"	723154	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone-n-(4-chlorob..."	"[K+].Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(Cl)cc3)cc1Cl)S(=O)(=O)NC#N"	0	""	""	1	1	"54612558"	NA
"723155"	723155	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone-n-(4-chlorob..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(Cl)cc3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	"9572648"	NA
"723250"	723250	"2,4-dimethoxy-6-(3'-fluorophenyl)-1,3,5-triazine"	"COc1nc(OC)nc(n1)c2cccc(F)c2"	0	""	""	1	1	"405722"	NA
"723303"	723303	"1-(4-fluorophenyl)-6-methoxy-1h,3h-thiazolo[3,4-a]benzim..."	"COc1ccc2c(c1)nc3CSC(c4ccc(F)cc4)n23"	0	""	""	1	1	"405742"	NA
"723322"	723322	"4-(3-Carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid"	"OC(=O)Cc1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1"	0	""	""	1	1	"405748"	NA
"723324"	723324	"4-(3-Phenylquinoxalin-2-yl)-oxyphenylacetic acid"	"OC(=O)Cc1ccc(Oc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	"405750"	NA
"723328"	723328	"4-bromo-1h-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-h..."	"O[C@@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2.O[C@]45C[C@@H](CNC(=O)c6cc(Br)c[nH]6)O[C@H]4NC(=O)N5"	0	""	""	1	1	"54612581"	NA
"723330"	723330	"(9r,11r,15r)-4,5-dibromo-1h-pyrrole-2-carboxylic acid (6..."	"CO[C@]12C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)O[C@H]1NC(=O)N2"	0	""	""	1	1	"405754"	NA
"723380"	723380	"9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-"	"Nc1nc(Cl)c2ncn(Cc3cccc(CCl)c3)c2n1"	0	""	""	2	1	"405759"	NA
"723382"	723382	"9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-"	"Nc1nc(Cl)c2ncn(Cc3ccc(CCl)cc3)c2n1"	0	""	""	1	1	"405761"	NA
"723383"	723383	"2-Amino-9-[4-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one"	"NC1=Nc2c(ncn2Cc3ccc(CO)cc3)C(=O)N1"	0	""	""	1	1	"135436427"	NA
"723384"	723384	"9-[2-(Chloromethyl)benzyl]-9h-purine-2,6-diamine"	"Nc1nc(N)c2ncn(Cc3ccccc3CCl)c2n1"	0	""	""	1	1	"405763"	NA
"723388"	723388	"octylsulfanyl[?]one"	"CCCCCCCCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	"46854321"	NA
"723389"	723389	"Ethylpropionatethio isosampangine"	"CCOC(=O)CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	"46854322"	NA
"723390"	723390	"N-[2-[(10-Oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]pyrazine-2-carboxamide"	"O=C(NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24)c5cnccn5"	0	""	""	1	1	"46854493"	NA
"723392"	723392	"12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid"	"NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	"46854489"	NA
"723393"	723393	"(2-hydroxyethylamino)[?]one"	"OCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	"46854494"	NA
"723394"	723394	"Tert-butyl N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]carbamate"	"CC(C)(C)OC(=O)NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	"46854488"	NA
"723396"	723396	"Phenyl thiourea ethylene diamino isosampangine"	"O=C1C=C(NCCNC(=S)Nc2ccccc2)c3nccc4c5ccccc5nc1c34"	0	""	""	1	1	"46854492"	NA
"723397"	723397	"12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol"	"COc1cc(O)c2nc3ccccc3c4C=CNc1c24"	0	""	""	1	1	"54612598"	NA
"723412"	723412	"4-Chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline"	"COc1cc2nc(nc(Cl)c2cc1OC)c3cccs3"	0	""	""	1	1	"405769"	NA
"723415"	723415	"6,7-bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- th..."	"FC(F)(F)c1ccccc1N2CCN(CC2)c3nc(nc4ccc(Br)cc34)c5cccs5"	0	""	""	1	1	"405772"	NA
"723416"	723416	"6,7-dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2..."	"COc1cc2nc(nc(N3CCN(CC3)c4ccccc4C(F)(F)F)c2cc1OC)c5cccs5"	0	""	""	1	1	"405773"	NA
"723417"	723417	"6-Bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline"	"Brc1cccc(Nc2nc(nc3ccc(Br)cc23)c4cccs4)c1"	0	""	""	1	1	"405774"	NA
"723418"	723418	"6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quin..."	"COc1cc2nc(nc(Nc3cccc(Cl)c3)c2cc1OC)c4cccs4"	0	""	""	1	1	"405775"	NA
"723423"	723423	"6,7-bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quina..."	"COc1cccc(Nc2nc(nc3ccc(Br)cc23)c4cccs4)c1"	0	""	""	1	1	"405780"	NA
"723427"	723427	"2-(para-hydroxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4..."	"COc1cc2nc(nc(N3C(=NNC(=O)c4ccccc34)c5ccc(O)cc5)c2cc1OC)c6cccs6"	0	""	""	1	1	"405784"	NA
"723428"	723428	"2-(para-methoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quin..."	"COc1ccc(cc1)C2=NNC(=O)c3ccccc3N2c4nc(nc5ccc(Br)cc45)c6cccs6"	0	""	""	1	1	"405785"	NA
"723429"	723429	"2-(para-methoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4..."	"COc1ccc(cc1)C2=NNC(=O)c3ccccc3N2c4nc(nc5cc(OC)c(OC)cc45)c6cccs6"	0	""	""	1	1	"405786"	NA
"723430"	723430	"2-(3,4,5-trimethoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- ..."	"COc1cc(cc(OC)c1OC)C2=NNC(=O)c3ccccc3N2c4nc(nc5ccc(Br)cc45)c6cccs6"	0	""	""	1	1	"405787"	NA
"723431"	723431	"2-(3,4,5-trimethoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thieny..."	"COc1cc2nc(nc(N3C(=NNC(=O)c4ccccc34)c5cc(OC)c(OC)c(OC)c5)c2cc1OC)c6cccs6"	0	""	""	1	1	"405788"	NA
"723432"	723432	"1,7-bis(4-hydroxy-3-methoxy-5-methylphenyl)-1,6-heptadie..."	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(C)c(O)c(OC)c2)cc(C)c1O"	0	""	""	1	1	"5473011"	NA
"723434"	723434	"1,1-di(3,4,5-trimethoxybenzylidenylcarbonyl)cyclohexane"	"COc1cc(\C=C\C(=O)C2(CCCCC2)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)cc(OC)c1OC"	0	""	""	1	1	"5473013"	NA
"723448"	723448	"2-(2-aminothiazol)methylene-5-(p-chlorophenoxy)methylene..."	"Nc1ncc(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1"	0	""	""	1	1	"405796"	NA
"723452"	723452	"benzothein[2,3-d]pyrimidin-4-amino-2-hydroxy-5,6,7,8-tet..."	"Nc1nc(O)nc2sc3CCCCc3c12"	0	""	""	1	1	"405800"	NA
"723480"	723480	"8-aniline-3,7-dimethyl-2,6-octadiene pyrophosphate"	"C\C(=C/COP(=O)(O)OP(=O)(O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	"5473016"	NA
"723483"	723483	"8-aniline-3,7-dimethyl-2,6-octadiene methylenediphosphonate"	"C\C(=C/COP(=O)(O)CP(=O)(O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	"5473022"	NA
"723484"	723484	"8-aniline-3,7-dimethyl-2,6-octadienol"	"C\C(=C/CO)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	"5473024"	NA
"723485"	723485	"8-(p-nitroaniline)-3,7-dimethyl-2,6-octadienol"	"C\C(=C/CO)\CC\C=C(/C)\CNc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"5473025"	NA
"723487"	723487	"8-aniline-3,7-dimethyl-2,6-octadiene-s-l-cysteine"	"C\C(=C/CSCC(N)C(=O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	"5473027"	NA
"723488"	723488	"6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate"	"C\C(=C/COP(=O)(O)OP(=O)(O)O)\CCCOCc1ccccc1"	0	""	""	1	1	"5473028"	NA
"723507"	723507	"5-(Methyloxime)-3-(4-methylphenyl)-isoxazole"	"Cc1ccc(cc1)c2cc(on2)\C=N\O"	0	""	""	1	1	"135436429"	NA
"723513"	723513	"1-(2,3-dichlorophenyl)-3,4,4-trichloro-but-3-en-1-one"	"ClC(=C(Cl)CC(=O)c1cccc(Cl)c1Cl)Cl"	0	""	""	1	1	"405826"	NA
"723515"	723515	"3,3,4,4,4-pentachloro-1-phenylbutan-1-one"	"ClC(Cl)(Cl)C(Cl)(Cl)CC(=O)c1ccccc1"	0	""	""	1	1	"405828"	NA
"723517"	723517	"1(2-naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-me..."	"Cc1ccc(N\C(=C/C=N/c2ccc(C)cc2)\c3ccc4ccccc4c3)cc1"	0	""	""	1	1	"5473033"	NA
"723518"	723518	"4,4-bis(3,5-dimethylpyrazole)-1,1-dichloro-but-3-ene-2-one"	"Cc1cc(C)n(n1)C(=CC(=O)C(Cl)Cl)n2nc(C)cc2C"	0	""	""	1	1	"405832"	NA
"723520"	723520	"n-phenyl-3,4,4-trichlorobut-3-enamide"	"ClC(=C(Cl)CC(=O)Nc1ccccc1)Cl"	0	""	""	1	1	"405834"	NA
"723524"	723524	"1-(2-naphthyl)-1-chloro-1-propenyl-3-n,n-(dimethyl)-imin..."	"C[N+](=C\C=C(/Cl)\c1ccc2ccccc2c1)C"	0	""	""	2	2	"5473036"	NA
"723525"	723525	"1-(2-naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)..."	"CCOc1ccc(cc1)\N=C\C=C(/Cl)\c2ccc3ccccc3c2"	0	""	""	2	2	"5473038"	NA
"723526"	723526	"1-(2-naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imin..."	"Cl\C(=C/C=N/c1ccc(I)cc1)\c2ccc3ccccc3c2"	0	""	""	2	2	"5473040"	NA
"723527"	723527	"1-(2-naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-im..."	"Cc1cccc(c1)\N=C\C=C(/Cl)\c2ccc3ccccc3c2"	0	""	""	2	2	"5473042"	NA
"723528"	723528	"1-(2-naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-..."	"CCOC(=O)c1ccc(N\C(=C/C=N/c2ccc(cc2)C(=O)OCC)\c3ccc4ccccc4c3)cc1"	0	""	""	1	1	"5473044"	NA
"723529"	723529	"1-(2-naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hy..."	"N(\C(=C/C=N/c1ccccc1)\c2ccc3ccccc3c2)c4ccccc4"	0	""	""	1	1	"5473046"	NA
"723531"	723531	"Resveratrol-3,5-diacetate"	"CC(=O)Oc1cc(OC(=O)C)cc(\C=C\c2ccc(O)cc2)c1"	0	""	""	1	1	"5473049"	NA
"723532"	723532	"3-methoxyresveratrol"	"COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1"	0	""	""	1	1	"5473050"	NA
"723533"	723533	"3,4'-dimethoxyresveratrol"	"COc1ccc(\C=C\c2cc(O)cc(OC)c2)cc1"	0	""	""	1	1	"5473051"	NA
"723548"	723548	"2-[(E)-[6-(3,6-dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3c(OC)ccc(OC)c3[N+](=O)[O-]"	0	""	""	2	2	"9572654"	NA
"723551"	723551	"2-[(E)-[6-(3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	"9572660"	NA
"723552"	723552	"2-[(E)-[6-(4-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	"9572662"	NA
"723553"	723553	"2-[(E)-[6-(2,4-dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cc(C)c(Cl)cc3Cl"	0	""	""	1	1	"9572664"	NA
"723554"	723554	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(C)c4ccc(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	"5473064"	NA
"723557"	723557	"(3E)-5-chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	"5473068"	NA
"723558"	723558	"(3E)-4-chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	"5473069"	NA
"723559"	723559	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	"5473070"	NA
"723560"	723560	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cc(C)c(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	"5473071"	NA
"723561"	723561	"(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	1	1	"5473072"	NA
"723564"	723564	"(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	2	2	"5473075"	NA
"723565"	723565	"(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	2	1	"5473076"	NA
"723568"	723568	"(3E)-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)n(Cc5ccc(Cl)cc5)c2cc1C"	0	""	""	2	2	"5473079"	NA
"723570"	723570	"(3E)-3-[[2-chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1ccc(Cn2c(Cl)c(\C=C/3\C(=O)Nc4ccccc34)c5cc(OC)c(C)cc25)cc1"	0	""	""	1	1	"5473081"	NA
"723582"	723582	"3-(p-chlorophenyl)diazo-2-oxoimidazolo[2,3-b]pyrimido[4,..."	"Clc1ccc(cc1)N=NC2N3C=Nc4sc5CCCCc5c4C3=NC2=O"	0	""	""	1	1	"405901"	NA
"723637"	723637	"6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine"	"Nc1ncnc2SC(=S)C3=C(CCC3)c12"	0	""	""	1	1	"5473085"	NA
"723645"	723645	"2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile"	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Cl"	0	""	""	1	1	"5473088"	NA
"723647"	723647	"2-[3-(2,5-dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2cc(Cl)ccc2Cl"	0	""	""	1	1	"5473090"	NA
"723648"	723648	"2-[3-(4-chloro-phenyl)-3-(2,3,5,6-tetrachloro-pyridin-4-..."	"Clc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2c(Cl)c(Cl)nc(Cl)c2Cl"	0	""	""	1	1	"5473091"	NA
"723654"	723654	"1-(3-oxo-hex-1-enylsulfanyl)-hex-1-en-3-one"	"CCCC(=O)\C=C\S\C=C\C(=O)CCC"	0	""	""	1	1	"5473096"	NA
"723655"	723655	"4-methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-e..."	"CC(C)C(=O)\C=C\S\C=C\C(=O)C(C)C"	0	""	""	1	1	"5473097"	NA
"723675"	723675	"1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine"	"Cn1c2c(Cc3ccccc23)c4c(Cl)nncc14"	0	""	""	1	1	"405931"	NA
"723732"	723732	"8-{4-[6-(4-flurophenyl)-2-methyl-4-pyrimidinyloxy]butoxy..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4cc(nc(C)n4)c5ccc(F)cc5"	0	""	""	2	2	"405944"	NA
"723733"	723733	"7-methoxy-8-[2-(4-{2-[7-methoxy-5-oxo-(11as)-2,3,5,11a-t..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCN4CCN(CCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)CC4"	0	""	""	3	2	"405945"	NA
"723734"	723734	"7-methoxy-8-[4-(4-{4-[7-methoxy-5-oxo-(11as)-2,3,5,11a-t..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4CCN(CCCCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)CC4"	0	""	""	3	2	"405946"	NA
"723740"	723740	"diethyl n-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminom..."	"CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	2	"405951"	NA
"723741"	723741	"diethyl n-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydro..."	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	"405952"	NA
"723742"	723742	"diethyl n[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	1	"405953"	NA
"723827"	723827	"iodide"	"CC1=NC2=Nc3nc(C)cc[n+]3CN2C=C1"	0	""	""	1	1	"405972"	NA
"723828"	723828	"iodide"	"Fc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(F)ccc45"	0	""	""	1	1	"405974"	NA
"723829"	723829	"iodide"	"Cc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(C)ccc45"	0	""	""	1	1	"405976"	NA
"723888"	723888	"3-benzyl-2-methyl-4,5-dioxo-4,5-dihydro-3h-benzo[e]indol..."	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3C(=O)C(=O)c4ccccc4c13"	0	""	""	2	2	"406008"	NA
"723889"	723889	"Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxo-4,5-dihydro-3h-benzo[e]indole-1-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3C(=O)C(=O)c4ccccc4c13"	0	""	""	2	2	"406009"	NA
"723890"	723890	"Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(C(=O)c2ccccc2C(=O)c3c(O)ccc(O)c13)c4ccc(C)cc4"	0	""	""	1	1	"406010"	NA
"723891"	723891	"ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(C(=O)c2ccccc2C(=O)c3c(OC(=O)C)ccc(OC(=O)C)c13)c4ccc(C)cc4"	0	""	""	1	1	"5473107"	NA
"723897"	723897	"5-benzyl-5,6,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione"	"O=C1CCCc2c1c3C(=O)c4ccccc4c3n2Cc5ccccc5"	0	""	""	1	1	"406017"	NA
"723906"	723906	"1,4-di-n-oxide-6,7-difluor-2-phenylcarbonyl-3-trifluorme..."	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	3	2	"406024"	NA
"723908"	723908	"1,4-di-n-oxide-2-acetyl-3-[(n,n-phenylmethyl)methylamino..."	"CN(Cc1c(C(=O)C)[n+]([O-])c2ccccc2[n+]1[O-])c3ccccc3"	0	""	""	1	1	"406026"	NA
"723909"	723909	"1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline."	"CCC(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"406027"	NA
"723917"	723917	"s-[3-(4-methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-s'-methyl ..."	"COc1ccc(cc1)C(=O)\C=C\S\C(=N\C#N)\SC"	0	""	""	1	1	"7004070"	NA
"723999"	723999	"methyl 5-chloropyrazinoate"	"COC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	"406081"	"287714356"
"724001"	724001	"5-chloro-pyrazine-2-carboxylic acid tert-butyl ester"	"CC(C)(C)OC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	"406083"	"169335506"
"724002"	724002	"5-Chloro-pyrazine-2-carboxylic acid hexylamide"	"CCCCCCNC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	"406084"	NA
"724003"	724003	"5-chloro-pyrazine-2-carboxylic acid benzylamide"	"Clc1cnc(cn1)C(=O)NCc2ccccc2"	0	""	""	1	1	"406085"	NA
"724005"	724005	"7-methoxy-8-{3-[7-methoxy (11as)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"406087"	NA
"724006"	724006	"7-methoxy-8-{5-[7-methoxy-(11as)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	"406088"	NA
"724010"	724010	"8-[4-(4-chloro-6-methyl-7-quinazolinyloxy)butoxy]7-metho..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4cc5nc(C)nc(Cl)c5cc4OC"	0	""	""	1	1	"406092"	NA
"724037"	724037	"1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol"	"Oc1cn(nc1c2oc(nn2)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	3	2	"406094"	NA
"724040"	724040	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	"3006482"	NA
"724058"	724058	"3-[(n,n-dimethylamino)-1-propyl]-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCN(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"11270518"	NA
"724059"	724059	"6-{3-[2-(3-amino-propylamino)-ethylamino]-1-propyl}-5,6-..."	"COc1cc2C(=O)N(CCCNCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027808"	NA
"724061"	724061	"(3,5-dichloro-2-hydroxy-benzylidene-hydrazinocarbonylmet..."	"Oc1c(Cl)cc(Cl)cc1\C=N/NC(=O)CSCC(=O)N\N=C/c2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	"135436441"	NA
"724062"	724062	"(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul..."	"Oc1ccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2ccc(O)c(O)c2O)c(O)c1O"	0	""	""	1	1	"135436442"	NA
"724063"	724063	"(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac..."	"[O-][N+](=O)c1cccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2cccc(c2)[N+](=O)[O-])c1"	0	""	""	1	1	"9572668"	NA
"724065"	724065	"(3,5-dibromo-2-hydroxy-benzylidene-hydrazinocarbonylmeth..."	"Oc1c(Br)cc(Br)cc1\C=N/NC(=O)CSCC(=O)N\N=C/c2cc(Br)cc(Br)c2O"	0	""	""	1	1	"135436443"	NA
"724067"	724067	"(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace..."	"Brc1cccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2cccc(Br)c2)c1"	0	""	""	1	1	"9572671"	NA
"724112"	724112	"4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one"	"Clc1ccc(\C=N/NC2=NNC(=O)c3ccccc23)cc1"	0	""	""	1	1	"9572673"	NA
"724117"	724117	"4-[(2Z)-2-[3-butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one"	"CCCCN1C(CS/C/1=N\NC2=NNC(=O)c3ccccc23)c4ccc(Cl)cc4"	0	""	""	1	1	"9572675"	NA
"724129"	724129	"6-ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyraz..."	"CCSc1nc(NC(C)c2ccccc2)c3cnn(CO)c3n1"	0	""	""	1	1	"406130"	NA
"724130"	724130	"6-ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyra..."	"CCSc1nc(N\N=C\c2cccs2)c3cnn(CO)c3n1"	0	""	""	1	1	"9572681"	NA
"724137"	724137	"3-Phenyl-4h-[1,2,4]triazino[3,4-a]phthalazin-7(6h)-one"	"O=C1NN2CC(=NN=C2c3ccccc13)c4ccccc4"	0	""	""	1	1	"406138"	NA
"724208"	724208	"2-[(2-thiazolyl)amino]ethyl-3,5,6-trichlorohydroquinone"	"Oc1c(Cl)c(Cl)c(O)c(CCNc2nccs2)c1Cl"	0	""	""	1	1	"406195"	NA
"724209"	724209	"2-[2-(2-thiazolylamino)ethyl]-3,5,6-trichloro-1,4-benzoq..."	"ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)CCNc2nccs2"	0	""	""	1	1	"406196"	NA
"724210"	724210	"2-[2-(6-quinolinylamino)ethyl]-3,5,6-trichlorohydroq1uinone"	"Oc1c(Cl)c(Cl)c(O)c(CCNc2ccc3ncccc3c2)c1Cl"	0	""	""	1	1	"406197"	NA
"724212"	724212	"2,2'-bi[5-(2,5-dihydroxy-3,4,6-trichlorophenyl)-thiazole]"	"Oc1c(Cl)c(Cl)c(O)c(c1Cl)c2cnc(s2)c3ncc(s3)c4c(O)c(Cl)c(Cl)c(O)c4Cl"	0	""	""	1	1	"406199"	NA
"724235"	724235	"phenylpyrimidine"	"CC1=CN(Cc2ccccc2CCl)C(=O)NC1=O"	0	""	""	1	1	"406205"	NA
"724237"	724237	"phenylpyrimidine"	"ClCc1ccccc1CN2C=CC(=O)NC2=O"	0	""	""	1	1	"406207"	NA
"724242"	724242	"phenylpyrimidine"	"OCc1ccccc1CN2C=C(Sc3ccccc3)C(=O)NC2=O"	0	""	""	1	1	"406212"	NA
"724257"	724257	"Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate"	"Fc1cc2C(=O)C(=CN(C3CC3)c2cc1N4CCN(Cc5ccc6ccccc6n5)CC4)C(=O)OCc7ccc8ccccc8n7"	0	""	""	2	1	"406214"	NA
"724258"	724258	"2-[(Z)-6-(2-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile"	"COc1ccccc1C#C\C=C/C#Cc2ccccc2C#N"	0	""	""	1	1	"5473138"	NA
"724259"	724259	"2-[(Z)-6-pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#Cc2ccccn2"	0	""	""	1	1	"5473139"	NA
"724265"	724265	"6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,6..."	"COc1cc2C(=O)N(CCCNCCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027810"	NA
"724276"	724276	"(3Z)-5-methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one"	"COc1cc2\C(=C\c3ccncc3)\C(=O)Nc2cc1C"	0	""	""	1	1	"5473149"	NA
"724277"	724277	"2-[3-(4-chloro-phenyl)-3-(1-methyl-1h-imidazol-2-ylsulfa..."	"Cn1ccnc1S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2"	0	""	""	3	2	"5473150"	NA
"724284"	724284	"s-[3-(4-chloro-phenyl)-3-oxo-prop-1-en-1-yl] s'-methyl c..."	"CS\C(=N/C#N)\S\C=C\C(=O)c1ccc(Cl)cc1"	0	""	""	1	1	"7021609"	NA
"724290"	724290	"3-(2,5-dimethoxy-phenylsulfanyl)-1,3-diphenyl-propan-1-one"	"COc1ccc(OC)c(SC(CC(=O)c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	"406245"	NA
"724294"	724294	"(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)..."	"CC(C)(C)c1ccc(\C=N\NC(=O)CSCC(=O)N\N=C\c2ccc(cc2)C(C)(C)C)cc1"	0	""	""	1	1	"9572685"	NA
"724305"	724305	"bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}di..."	"C(c1c[nH]c2ccccc12)c3nnc4sc(SSc5nn6c(Cc7c[nH]c8ccccc78)nnc6s5)nn34"	0	""	""	1	1	"406260"	NA
"724319"	724319	"arylmethylene-f"	"Fc1ccc(\C=C/2\CCOc3c(ccc4ccccc34)C2=O)cc1"	0	""	""	2	2	"5473168"	NA
"724322"	724322	"Pyrazol-F"	"Fc1ccc(cc1)C2C3CCOc4c(ccc5ccccc45)C3=NN2c6ccccc6"	0	""	""	2	1	"406270"	NA
"724328"	724328	"Aminopyrimidine-F"	"Fc1ccc(cc1)C2NC(=N)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"406276"	NA
"724330"	724330	"Aminopyrimidine-CH3"	"Cc1ccc(cc1)C2NC(=N)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	3	2	"406278"	NA
"724331"	724331	"Thiopyrimidine-F"	"Fc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"5473171"	NA
"724332"	724332	"Thiopyrimidine-OCH3"	"COc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"5473172"	NA
"724333"	724333	"Thiopyrimidine-Cl"	"Clc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"5473173"	NA
"724342"	724342	"(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu..."	"FC(F)(F)c1cccc(\C=N\NC(=O)CSCC(=O)N\N=C\c2cccc(c2)C(F)(F)F)c1"	0	""	""	1	1	"9572690"	NA
"724358"	724358	"5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione"	"Clc1nc2sccn2c1\C=C\3/SC(=O)NC3=O"	0	""	""	2	1	"5473183"	NA
"724383"	724383	"3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin (thunbergin..."	"Oc1ccc(cc1O)C2=Cc3cccc(O)c3C(=O)O2"	0	""	""	2	2	"5321948"	"147666806"
"724384"	724384	"8-Hydroxy-3-phenylisocoumarin"	"Oc1cccc2C=C(OC(=O)c12)c3ccccc3"	0	""	""	2	1	"5473194"	"74794539"
"724387"	724387	"3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin"	"COc1ccc(cc1OC)C2=Cc3cccc(OC)c3C(=O)O2"	0	""	""	1	1	"406328"	"147666840"
"724391"	724391	"3-(3,4-Dihydroxyphenyl)-8-methoxy-4-methylisocoumarin"	"CC1=C(OC(=O)c2c(O)cccc12)c3ccc(O)c(O)c3"	0	""	""	1	1	"5473195"	NA
"724392"	724392	"3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone"	"COc1ccc(cc1Cl)C2=C(Br)C(=O)OC2"	0	""	""	2	1	"406333"	NA
"724429"	724429	"(3E)-5-methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3cccnc3)\c2c1"	0	""	""	1	1	"5473198"	NA
"724432"	724432	"(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one"	"COc1cc2\C(=C/c3ccccn3)\C(=O)Nc2cc1C"	0	""	""	1	1	"5473201"	NA
"724435"	724435	"(3E)-4-chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one"	"Clc1cccc2NC(=O)\C(=C\c3cccnc3)\c12"	0	""	""	1	1	"5473204"	NA
"724447"	724447	"(3E)-3-[1-[6-[(1E)-1-(2-oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one"	"C\C(=C\1/C(=O)Nc2ccccc12)\c3cccc(n3)\C(=C/4\C(=O)Nc5ccccc45)\C"	0	""	""	1	1	"5473213"	NA
"724448"	724448	"(3E)-3-[[6-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one"	"O=C1Nc2ccccc2/C/1=C\c3cccc(\C=C/4\C(=O)Nc5ccccc45)n3"	0	""	""	2	1	"5473214"	NA
"724459"	724459	"Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat"	"CCN(CC)c1c([nH]nc1c2ccccc2)C(=O)OC"	0	""	""	1	1	"406395"	NA
"724462"	724462	"4-(4-carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCn3c4ccccc4c5ccccc35)cn2C)cn1C"	0	""	""	2	2	"406397"	NA
"724529"	724529	"ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,..."	"CCOC(=O)c1sc2N=C3S\C(=N\Nc4ccc(Cl)cc4)\C(=O)N3C(=S)c2c1C"	0	""	""	1	1	"406455"	NA
"724530"	724530	"1-{ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carbox..."	"CCOC(=O)c1sc2nc(S)nc(NC(=S)N)c2c1C"	0	""	""	1	1	"5473232"	NA
"724550"	724550	"2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole"	"C(c1ccc(Sc2ccccc2)cc1)c3nc4cc5ccccc5cc4[nH]3"	0	""	""	2	2	"406459"	NA
"724552"	724552	"1-Aza-9-oxafluorene deriv. 7a"	"Cc1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	"406461"	NA
"724553"	724553	"6-hydroxy-3-methoxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"COc1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	"406462"	NA
"724562"	724562	"11-(3'aminopropylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"9978660"	NA
"724563"	724563	"6-[(3-amino-n-propyl)amino-1-propyl]-5,6-dihydro-2,3-dim..."	"COc1cc2C(=O)N(CCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"11317241"	NA
"724579"	724579	"Iejimalide A."	"COC1CC\C=C(/C)\C=C\CC(OC)\C=C(/C)\C=C\C(C)\C=C\C(=O)OC(C(C)\C=C\C=C\1)\C(=C\C=C(/C)\CNC(=O)[C@H](CO)NC=O)\C"	0	""	""	2	2	"5473233"	NA
"724596"	724596	"S-(dimethylarsino)-3-mercapto-1,2-propanediol"	"C[As](C)SCC(O)CO"	0	""	""	4	2	"406475"	NA
"724597"	724597	"S-(diethylarsino)-3-mercapto-1,2-propanediol"	"CC[As](CC)SCC(O)CO"	0	""	""	2	2	"406476"	NA
"724598"	724598	"S-(dipropylarsino)-3-mercapto-1,2-propanediol"	"CCC[As](CCC)SCC(O)CO"	0	""	""	2	2	"406477"	NA
"724599"	724599	"S-(diisopropylarsino)-3-mercapto-1,2-propanediol"	"CC(C)[As](SCC(O)CO)C(C)C"	0	""	""	2	2	"406478"	NA
"724600"	724600	"S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate"	"C[As](C)SCC(COC(=O)C)OC(=O)C"	0	""	""	2	2	"406479"	NA
"724601"	724601	"S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate"	"CCCCCCCCC(=O)OCC(CS[As](C)C)OC(=O)CCCCCCCC"	0	""	""	2	2	"406480"	NA
"724602"	724602	"S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate"	"C[As](C)SCC(COC(=O)c1ccccc1)OC(=O)c2ccccc2"	0	""	""	2	2	"406481"	NA
"724603"	724603	"s-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-p..."	"C[As](C)SCC(COC(=O)C(Cl)c1ccccc1)OC(=O)C(Cl)c2ccccc2"	0	""	""	2	2	"406482"	NA
"724613"	724613	"Arylmethylene-Br"	"Brc1ccc(\C=C/2\SC3=NC4=C(CCOc5c4ccc6ccccc56)C(N3C2=O)c7ccc(Br)cc7)cc1"	0	""	""	1	1	"5473237"	NA
"724615"	724615	"thiopyrimidine-CH3"	"Cc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"5473238"	NA
"724619"	724619	"Arylmethylene thiazolo"	"Cc1ccc(cc1)C2N3C(=NC4=C2CCOc5c4ccc6ccccc56)S\C(=C\c7ccc(Br)cc7)\C3=O"	0	""	""	1	1	"5473239"	NA
"724622"	724622	"Yliedene dicyano"	"N#CC(=C1CCCOc2c1ccc3ccccc23)C#N"	0	""	""	1	1	"406495"	NA
"724623"	724623	"cyano pyridine -p-ch3"	"Cc1ccc(cc1)c2nc(N)c(C#N)c3c2CCOc4c3ccc5ccccc45"	0	""	""	2	2	"406496"	NA
"724624"	724624	"cyanopyridine - och3"	"COc1ccc(cc1)c2nc(N)c(C#N)c3c2CCOc4c3ccc5ccccc45"	0	""	""	1	1	"406497"	NA
"724625"	724625	"3-([2,3']bisindolyl-3-yl)-4-(indol-3-yl)-1-methylpyrrole..."	"CN1C(=O)C(=C(C1=O)c2c([nH]c3ccccc23)c4c[nH]c5ccccc45)c6c[nH]c7ccccc67"	0	""	""	1	1	"406498"	NA
"724627"	724627	"4,11-bis[(2-aminoethyl)amino]-1h-naphtho[2,3-f]indole-5,..."	"NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN)c4[nH]ccc14"	0	""	""	2	2	"406500"	NA
"724628"	724628	"4,11-bis[[2-(dimethylamino)ethyl]-amino]-1h-naphtho[2,3-..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4[nH]ccc14"	0	""	""	2	2	"406501"	NA
"724629"	724629	"4,11-bis[[2-[(2-hydroxyethyl)amino-]ethyl]amino]-1h-naph..."	"OCCNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNCCO)c4[nH]ccc14"	0	""	""	2	2	"406502"	NA
"724631"	724631	"4,11-dihydroxy-1-[4-[[2-hydroxy-1-(hydroxymethyl)-1-meth..."	"CC(CO)(CO)NCCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	"406504"	NA
"724632"	724632	"4,11-dihydroxy-1-[4-(1-piperidinyl)-butyl]-1h-naphtho[2,..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c1ccn4CCCCN5CCCCC5"	0	""	""	2	2	"406505"	NA
"724633"	724633	"4,11-dihydroxy-1-[4-(4-morpholinyl)butyl]-1h-naphtho[2,3..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c1ccn4CCCCN5CCOCC5"	0	""	""	1	1	"406506"	NA
"724634"	724634	"1-[4-(dimethylamino)butyl]-4,11-dihydroxy-1h-naphtho[2,3..."	"CN(C)CCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	"406507"	NA
"724635"	724635	"4,11-dihydroxy-1-(4-{[2-hydroxy-1,1-bis(hydroxymethyl)et..."	"OCC(CO)(CO)NCCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	2	2	"406508"	NA
"724643"	724643	"4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C=NNC3=S)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572705"	NA
"724645"	724645	"3-[(4-chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C(=S)NN=C3COc4ccc(Cl)cc4)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572707"	NA
"724647"	724647	"3-[(2,4-dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C(=S)NN=C3COc4ccc(Cl)cc4Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572709"	NA
"724652"	724652	"5-[(2,4-dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione"	"COc1ccc(c2oc(\C=N\N3C(=NN(CN4CCOCC4)C3=S)COc5ccc(Cl)cc5Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572714"	NA
"724657"	724657	"mannich bases"	"COc1ccc(c2oc(\C=N\N3C(=NN(CN4CCN(C)CC4)C3=S)COc5ccc(Cl)cc5Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"9572719"	NA
"724662"	724662	"pyrazolines"	"COc1ccc(cc1)C2=NNC(C2)c3oc(cc3)c4ccc(OC)cc4[N+](=O)[O-]"	0	""	""	1	1	"406532"	NA
"724663"	724663	"pyrazolines"	"COc1ccc(c2oc(cc2)C3CC(=NN3)c4ccc(O)cc4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"406533"	NA
"724685"	724685	"3-chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine"	"COc1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	2	2	"406537"	NA
"724686"	724686	"(E)-4-[4-[(3-chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one"	"CC(=O)\C=C\c1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	1	1	"5473262"	NA
"724693"	724693	"1-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]ethanone"	"CC(=O)c1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	"406545"	NA
"724695"	724695	"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one"	"CC(=O)CCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	"406547"	NA
"724696"	724696	"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-ol"	"CC(O)CCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	"406548"	NA
"724697"	724697	"4-(Furo[2,3-b]quinolin-4-yloxy)benzaldehyde"	"O=Cc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	"406549"	NA
"724698"	724698	"[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]methanol"	"OCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	"406550"	NA
"724700"	724700	"4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one"	"CC(=O)CCc1ccc(Oc2c3CCOc3nc4ccccc24)cc1"	0	""	""	1	1	"406552"	NA
"724702"	724702	"5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4(1h)-one"	"COc1c2N(C)C=CC(=O)c2c(O)c3ccccc13"	0	""	""	2	2	"406554"	NA
"724704"	724704	"Ethyl 5,10-dimethoxy-1-methyl-4-oxo-1,4-dihydrobenzo[g]quinoline-3-carboxylate"	"CCOC(=O)C1=CN(C)c2c(OC)c3ccccc3c(OC)c2C1=O"	0	""	""	1	1	"406556"	NA
"724706"	724706	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	"CCOC(=O)C1=CNc2c(OCc3ccccc3)c4ccccc4c(O)c2C1=O"	0	""	""	2	2	"5473266"	NA
"724707"	724707	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid"	"OC(=O)C1=CNc2c(OCc3ccccc3)c4ccccc4c(O)c2C1=O"	0	""	""	1	1	"5473267"	NA
"724771"	724771	"JS-K"	"CCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	"9572720"	NA
"724778"	724778	"[(1r,4s,5r,8s,12r,13r)-1,5-dimethyl-10-(trifluoromethyl)..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	2	2	"54612585"	NA
"724779"	724779	"1-{[(1r,4s,5r,8s,12r,13r)-1,5-dimethyl-10-(trifluorometh..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)CN5CCN(CC6=C(O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]6[C@@]79OO8)C(F)(F)F)CC5"	0	""	""	2	2	"54612639"	NA
"724780"	724780	"(1s,4r,5r,12r,13s)-9-[(2-{[(1s,4r,5r,8r,12r,13s)-1,5-dim..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COCCOCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	3	2	"54612640"	NA
"724781"	724781	"(1s,4r,5r,8r,12r,13s)-9-{[(1s,4r,5r,8r,12r,13s)-1,5-dime..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COC\C=C\COCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	2	2	"54612586"	NA
"724782"	724782	"(1s,4r,5r,8r,9r,12r,13s)-1,5,9-trimethyl-10-[(4-{[(1s,4r..."	"C[C@@H]1CC[C@H]2[C@@H](C)C(OC\C=C\COC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	"54612641"	NA
"724783"	724783	"[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxat..."	"CC1CCC2C(=C(OC3OC4(C)CCC1C23OO4)C(F)(F)F)CN(CC5=C(OC6OC7(C)CCC8C(C)CCC5C68OO7)C(F)(F)F)CC9=C(OC%10OC%11(C)CCC%12C(C)CCC9C%10%12OO%11)C(F)(F)F"	0	""	""	1	1	"406570"	NA
"724784"	724784	"(1s,4r,5r,8r,12r,13s)-1,5-dimethyl-9-methylene-11,14,15,..."	"C[C@@H]1CC[C@H]2C(=C)C(OC\C=C\COC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H](C3=C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	"54612587"	NA
"724794"	724794	"5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2Cc5ccccc5"	0	""	""	1	1	"406582"	NA
"724802"	724802	"12-[3'-n-(3'-aminopropyl)-aminopropylidene]-5,11,-diketo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCNCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027811"	NA
"724818"	724818	"1-ethyl-3-[4-(3-methyl-3h-pyrrolo[3,2-f]quinolin-9-yloxy..."	"CCNC(=O)Nc1ccc(Oc2ccnc3ccc4c(ccn4C)c23)cc1"	0	""	""	1	1	"406604"	NA
"724827"	724827	"1,4-di-n-oxide-6,7-difluoro-2-ethylcarbonyl-3-trifluorom..."	"CCC(=O)c1c([n+]([O-])c2cc(F)c(F)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"406607"	NA
"724828"	724828	"1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline"	"CC(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	"406608"	NA
"724854"	724854	"1-methyl-1h-4,5,6,7,8-pentahia-1-aza-azulene"	"Cn1ccc2SSSSSc12"	0	""	""	1	1	"406614"	NA
"724855"	724855	"n,n,n,n-tetraethyl-thieno[3,4-f][1,2,3,4,5]pentathiepi..."	"CCN(CC)c1sc(N(CC)CC)c2SSSSSc12"	0	""	""	2	1	"406615"	NA
"724858"	724858	"N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCc4c[nH]c5ccccc45)cn3C)cn2C)cn1C"	0	""	""	1	1	"406618"	NA
"724864"	724864	"2-[(3,4-dimethoxy)anilino]-3-phenyl-5,7-diaminoquinoxaline"	"COc1ccc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1OC"	0	""	""	1	1	"406624"	NA
"724865"	724865	"2-[(3,4-dimethoxy)benzylamino]-3-phenyl-5,7-diaminoquino..."	"COc1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1OC"	0	""	""	2	2	"406625"	NA
"724867"	724867	"ethyl n-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoy..."	"CCOC(=O)C1CCCCN1C(=O)c2ccc(Nc3cnc4cc(ccc4n3)C(F)(F)F)cc2"	0	""	""	1	1	"406627"	NA
"724873"	724873	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone n-(4-methylb..."	"Cc1ccc(cc1)\C(=N\Nc2ccc(cc2)[N+](=O)[O-])\Sc3cc(Cl)c(C)cc3S(=O)(=O)N"	0	""	""	2	1	"9572722"	NA
"724874"	724874	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone n-(4-methoxy..."	"COc1ccc(cc1)\C(=N\Nc2ccc(cc2)[N+](=O)[O-])\Sc3cc(Cl)c(C)cc3S(=O)(=O)N"	0	""	""	2	1	"9572723"	NA
"724875"	724875	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone n-(4-hydroxy..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(O)cc3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	"135436457"	NA
"724877"	724877	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone n-(2-naphtyl..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc4ccccc4c3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	"9572725"	NA
"724904"	724904	"n-methylamino-n'-[(5-nitro-2-thienyl)methylidene]-n''-(2..."	"CNN\C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1SCc2ccccc2)\N=C\c3ccc(s3)[N+](=O)[O-]"	0	""	""	2	2	"9572730"	NA
"724907"	724907	"8-chloro-7-cyano-3-(1-naphthylamino)-5,5-dioxo[1,2,4]tri..."	"Clc1cc2Sc3nnc(Nc4cccc5ccccc45)n3S(=O)(=O)c2cc1C#N"	0	""	""	1	1	"406667"	NA
"724910"	724910	"Artemisinin Dimer"	"C[C@@H]1CCC2[C@@H](C)[C@@H](OCC(CO[C@H]3OC4O[C@@]5(C)CC[C@H]6[C@H](C)CCC([C@H]3C)[C@@]46OO5)OC(=O)CCC(=O)O)OC7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	"54608484"	NA
"724946"	724946	"4-(2'-thienylidene amino)-6-benzylmercapto pyrazolo[3,4-..."	"C(Sc1nc(\N=C/c2cccs2)c3cn[nH]c3n1)c4ccccc4"	0	""	""	1	1	"406681"	NA
"724949"	724949	"6-benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo..."	"Oc1ccccc1\C=N/c2nc(SCc3ccccc3)nc4[nH]ncc24"	0	""	""	1	1	"406684"	NA
"724950"	724950	"4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine"	"CCCCSc1nc(N)c2cn[nH]c2n1"	0	""	""	2	2	"406685"	NA
"724954"	724954	"4-amino-6-ethylmercapto purazolo[3,4-d]pyrimidine"	"CCSc1nc(N)c2cn[nH]c2n1"	0	""	""	1	1	"406689"	NA
"724955"	724955	"6-ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]..."	"CCSc1nc(\N=C/c2cccs2)c3cn[nH]c3n1"	0	""	""	1	1	"406690"	NA
"724957"	724957	"6-ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[..."	"CCSc1nc(\N=C/c2ccccc2O)c3cn[nH]c3n1"	0	""	""	1	1	"406692"	NA
"724958"	724958	"4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine"	"Nc1nc(OCc2ccccc2)nc3[nH]ncc13"	0	""	""	1	1	"406693"	NA
"724967"	724967	"1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione"	"CC12CCC(=O)C(O1)C3C2C(=O)c4cc5ccccc5cc4C3=O"	0	""	""	1	1	"406702"	NA
"724968"	724968	"1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione"	"CC12CCC(=O)C(O1)C3C2C(=O)c4c(ccc5c4ccc6ccccc56)C3=O"	0	""	""	2	1	"406703"	NA
"724970"	724970	"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione"	"CC12OC(C3C1C(=O)c4c(ccc5c4ccc6ccccc56)C3=O)C(=O)C27CCC7"	0	""	""	1	1	"406705"	NA
"724971"	724971	"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4c(O)ccc(O)c4C3=O)C(=O)C25CCC5"	0	""	""	2	2	"406706"	NA
"724975"	724975	"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4ccccc4C3=O)C(=O)C25CC5"	0	""	""	1	1	"406710"	NA
"724976"	724976	"2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4ccccc4C3=O)C(=O)C25CC5C=C"	0	""	""	2	1	"406711"	NA
"724979"	724979	"2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4c(O)ccc(O)c4C3=O)C(=O)C25CC5C=C"	0	""	""	2	2	"406714"	NA
"724982"	724982	"20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6ccccc6C5=O"	0	""	""	1	1	"406717"	NA
"724983"	724983	"24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6cc7ccccc7cc6C5=O"	0	""	""	1	1	"406718"	NA
"724984"	724984	"28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6ccc7c(ccc8ccccc78)c6C5=O"	0	""	""	2	1	"406719"	NA
"724994"	724994	"2-[(dimethylamino)-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,..."	"COc1cc2C(=O)N(CCN(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"44369013"	NA
"724995"	724995	"3-[(4-hydroxyethylpiperidine)-1-propyl]-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCN3CCN(CCO)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"16090543"	NA
"724996"	724996	"6-{3-[2-(2-amino-ethylamino]-ethylamino]-1propyl}-5,6-di..."	"COc1cc2C(=O)N(CCCNCCNCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027813"	NA
"724997"	724997	"6-{3-[3,3-(3-amino-propylamino)-(propylamino)-propylamin..."	"COc1cc2C(=O)N(CCCNCCCNCCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027814"	NA
"724998"	724998	"LMP-400"	"COc1cc2C(=O)N(CCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	"Clinical trial"	2	2	"11533060"	NA
"725004"	725004	"methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate"	"COC(=O)C(=C)[C@@H]1CC2OC1C(=O)C(C)CCC\C(=C\CC[C@@]2(C)O)\C"	0	""	""	1	1	"5473307"	NA
"725013"	725013	"3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisocoumarin (thunbe..."	"Oc1cc(O)c2C(=O)OC(=Cc2c1)c3ccc(O)c(O)c3"	0	""	""	1	1	"5473310"	"147666817"
"725016"	725016	"6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin"	"CC1=C(OC(=O)c2c(O)cc(O)cc12)c3ccc(O)c(O)c3"	0	""	""	1	1	"5473311"	NA
"725021"	725021	"N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid"	"CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N)C(C)C)C(=O)N"	0	""	""	1	1	"406741"	NA
"725024"	725024	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2C3CCCCC3)c4ccc(Cl)cc4"	0	""	""	2	2	"3006484"	NA
"725025"	725025	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2c3ccc(F)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	"3006483"	NA
"725026"	725026	"5-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one"	"Oc1cn(nc1C2=NNC(=O)O2)c3ccc(Cl)cc3"	0	""	""	2	2	"406746"	NA
"725047"	725047	"5,6-dihydro-5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-1..."	"CC(C)(C)OC(=O)NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"11304253"	NA
"725048"	725048	"2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile"	"Cl\C(=C/C=C(C#N)C#N)\c1ccc(Cl)cc1"	0	""	""	2	2	"5473313"	NA
"725050"	725050	"2-[3-(4-chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyl..."	"Fc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2ccc(Cl)cc2"	0	""	""	2	2	"5372567"	NA
"725051"	725051	"[3-(4-chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolyla..."	"Cc1ccc(N\C(=C/C=N/c2ccc(C)cc2)\c3ccc(Cl)cc3)cc1"	0	""	""	1	1	"5473315"	NA
"725052"	725052	"2-[3-(benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-all..."	"Clc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	2	2	"5473316"	NA
"725053"	725053	"5-chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic a..."	"CCOC(=O)\C(=C/C=C(\Cl)/c1ccc(Cl)cc1)\C#N"	0	""	""	2	1	"5473317"	NA
"725057"	725057	"s-methyl s'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimi..."	"CS\C(=N\C#N)\S\C=C\C(=O)c1cccc2ccccc12"	0	""	""	1	1	"9572732"	NA
"725058"	725058	"s-benzyl s'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodi..."	"Cc1cccc(c1)C(=O)\C=C\S\C(=N/C#N)\SCc2ccccc2"	0	""	""	1	1	"9572733"	NA
"725059"	725059	"1-(4-chloro-phneyl)-3-[4-(3-chloro-phenyl)-piperazin-1-y..."	"Clc1ccc(cc1)C(=O)\C=C\N2CCN(CC2)c3cccc(Cl)c3"	0	""	""	1	1	"1046791"	NA
"725060"	725060	"1-(2,4-dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-..."	"FC(F)(F)c1cccc(c1)N2CCN(CC2)\C=C\C(=O)c3ccc(Cl)cc3Cl"	0	""	""	1	1	"5473323"	NA
"725062"	725062	"3-chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl..."	"Clc1ccc(cc1)C(=O)\C=C\OC(=O)c2cccc(Cl)c2"	0	""	""	2	1	"5473325"	NA
"725063"	725063	"5-chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic a..."	"NC(=O)\C(=C/C=C(\Cl)/c1ccc(Cl)cc1)\C#N"	0	""	""	2	2	"5473326"	NA
"725066"	725066	"1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione"	"Fc1cccc(c1)N2C=CC(=NC2=S)c3ccccc3"	0	""	""	2	2	"406781"	NA
"725067"	725067	"s-methyl s'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodi..."	"CS\C(=N/C#N)\S\C=C\C(=O)c1ccccc1"	0	""	""	1	1	"9572734"	NA
"725076"	725076	"5-chloro-3-(1-phenyl-1h-tetrazol-5-yl)-1h-indole"	"Clc1ccc2[nH]cc(c3nnnn3c4ccccc4)c2c1"	0	""	""	2	2	"406791"	NA
"725091"	725091	""	"CC(=O)OCC1OC(OC2CCCC[Si](O2)(c3ccccc3)c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	"537998"	NA
"725093"	725093	"2-[(E)-[6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sccn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"9572735"	NA
"725098"	725098	"(3E)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(C)nc2s1"	0	""	""	2	2	"5473339"	NA
"725099"	725099	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one"	"COc1ccc2N(C)C(=O)\C(=C\c3c(C)nc4sc(C)cn34)\c2c1"	0	""	""	1	1	"5473340"	NA
"725100"	725100	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(C)nc2s1"	0	""	""	2	2	"5473341"	NA
"725104"	725104	"N'-carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1ccc(cc1OC)c2nc3sccn3c2C(=N)NC(=N)N"	0	""	""	1	1	"9572737"	NA
"725107"	725107	"14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione"	"O=C1C=CC(=O)c2c1ncc3c2nc4sccn34"	0	""	""	1	1	"406815"	NA
"725109"	725109	"4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene"	"COc1cc2ncc3c(nc4sccn34)c2cc1OC"	0	""	""	1	1	"406818"	NA
"725126"	725126	"3,4-dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one"	"CC(C)CC1=C2C(C(O)C(=C)C13CC3)C(O)C(C)(C)C2=O"	0	""	""	1	1	"406835"	NA
"725191"	725191	"1,6-bis[(1s,4r,5r,8r,12r,13s)-1,5-dimethyl-10-(trifluoro..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)C(O)CCCCC(O)C5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	1	1	"54612623"	NA
"725202"	725202	"(7Z)-7-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1nnc2S\C(=C/c3oc(cc3)c4ccc(cc4Cl)[N+](=O)[O-])\C(=Nn12)c5ccc(Cl)cc5Cl"	0	""	""	1	1	"5473360"	NA
"725206"	725206	"N-(3-chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine"	"Fc1ccc(Nc2ncc(s2)c3cc(F)c(Cl)cc3Cl)cc1Cl"	0	""	""	1	1	"406887"	NA
"725260"	725260	"phenylpurine phosphoroamidate ester"	"COC(=O)C(C)NP(=O)(OCc1ccc(Cn2cnc3c(N)ncnc23)cc1)Oc4ccccc4"	0	""	""	2	1	"406930"	NA
"725536"	725536	"1,4-di-n-oxide-6,7-difluor-2-ethoxycarbonyl-3-methylquin..."	"CCOC(=O)c1c(C)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-]"	0	""	""	2	2	"4918469"	NA
"725539"	725539	"1,4-di-n-oxide-2-cyano-3-(4-clhloro)phenylquinoxaline"	"[O-][n+]1c(C#N)c(c2ccc(Cl)cc2)[n+]([O-])c3ccccc13"	0	""	""	1	1	"11594562"	NA
"725604"	725604	"1-[3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol"	"Oc1ccc2ccccc2c1\C=N\CCC\N=C\c3c(O)ccc4ccccc34"	0	""	""	1	1	"5254937"	NA
"725623"	725623	"2-[(Z)-6-thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#Cc2cccs2"	0	""	""	1	1	"11357398"	NA
"725625"	725625	"2-[(3Z,9Z)-12-(2-cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#CC#C\C=C/C#Cc2ccccc2C#N"	0	""	""	1	1	"24202651"	NA
"725660"	725660	"N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea"	"S=C(Nc1ccc(cc1)c2nc3ccccc3s2)Nc4ccccn4"	0	""	""	2	1	"24202656"	NA
"725664"	725664	"N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea"	"Clc1ccc(NC(=S)Nc2ccc(cc2)c3oc4ccccc4n3)cc1"	0	""	""	1	1	"24202660"	NA
"725665"	725665	"12-(2'-aminoethylidene)-5,6-dihydro-5,11-diketo-2,3-dime..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"11452147"	NA
"725666"	725666	"6-[(5-morpholyl-3-aminoethyl)-1-propyl]-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCNCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	3	3	"16090544"	NA
"725669"	725669	"5,6-dihydro-5,11-dioxo-6-(2-amino-1-ethyl)-11h-indeno[1,..."	"NCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"11370830"	NA
"725670"	725670	"5,6-dihydro-5,11-dioxo-6-(2-n-piperazine-1-ethyl)-11h-in..."	"O=C1N(CCN2CCNCC2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	1	1	"11291330"	NA
"725671"	725671	"5,6-dihydro-5,11-dioxo-6-(3-amino-1-propyl)-11h-indeno[1..."	"NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	3	2	"11427798"	NA
"725674"	725674	"N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea"	"Clc1ccc(NC(=S)Nc2ccc(cc2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	"24202662"	NA
"725700"	725700	"[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate"	"CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)C1OC2OC(C)C(OC(=O)CCC)C(OC(=O)C(C)C)C2O"	0	""	""	1	1	"24202677"	NA
"725734"	725734	"bis-triazoles"	"CN(C)c1ccc(\C=N\n2c(S)nnc2CCCCc3nnc(S)n3\N=C\c4ccc(cc4)N(C)C)cc1"	0	""	""	1	1	"10918644"	NA
"725752"	725752	"Pareitropone"	"COc1cc2ccnc3C4=C(C=CC(=O)C=C4)c(c1OC)c23"	0	""	""	1	1	"10469514"	NA
"725774"	725774	"6-[3-(bis-hydroxyethylamino)-1-propyl]-5,6-dihydro-2,3-~..."	"COc1cc2C(=O)N(CCCN(CCO)CCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"10346993"	NA
"725775"	725775	"6-[(3-thiazolylamino)-1-propyl]-5,6-dihydro-2,3-dimethox..."	"COc1cc2C(=O)N(CCCNC3=NCCS3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"45027819"	NA
"725776"	725776	"LMP776"	"COc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	"Clinical trial"	2	2	"45027820"	"915303047"
"725777"	725777	"3-[(1-methylpiperazine)-1-propyl]-5,6-dihydro-2,3-dimeth..."	"COc1cc2C(=O)N(CCCN3CCN(C)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	1	1	"16090538"	NA
"725846"	725846	"n-[3-benzyl-3,4-dihydro-4-oxothieno[3,4-e]pyrimidin-2-yl..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3cscc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	"24202747"	NA
"725848"	725848	"4-chloro-n-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3ccccc3C(=O)N2Cc4occc4"	0	""	""	1	1	"24202749"	NA
"725856"	725856	"GCHCAFIIXGRBLS-UHFFFAOYSA-"	"S=C1SN=C2NCCN12"	0	""	""	1	1	"135405388"	NA
"725901"	725901	"4,4'-(1,4-piperazinediyl)bisbenzenecarboximidamide, dihy..."	"NC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)N"	0	""	""	2	1	"24202755"	"123885927"
"725903"	725903	"n,n'-dubutyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxam..."	"CCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCC"	0	""	""	3	2	"24202756"	NA
"725985"	725985	"3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)(C#C)C2O"	0	""	""	2	2	"24202801"	NA
"725987"	725987	"n,n'-dibenzyl 4,4'-(1,4-piperazinediyl)bisbenzenedicarbo..."	"N=C(NCc1ccccc1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NCc5ccccc5"	0	""	""	2	2	"24202803"	NA
"725988"	725988	"4,4'-(1,4-piperazinediyl)bisbenzaldehyde"	"O=Cc1ccc(cc1)N2CCN(CC2)c3ccc(C=O)cc3"	0	""	""	1	1	"3006251"	"10159394"
"725993"	725993	"1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine"	"C1CN(CCN1c2ccc(cc2)c3nc4ccccc4[nH]3)c5ccc(cc5)c6nc7ccccc7[nH]6"	0	""	""	1	1	"24202806"	NA
"726031"	726031	"2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide"	"CCn1c2ccccc2c3cc(\C=C(\C#N)/C(=S)N)ccc13"	0	""	""	2	2	"24202813"	NA
"726033"	726033	"(2z)-2-amino-3-{[(1e)-1-benzothien-3-ylmethylene]amino}b..."	"N\C(=C(/N=C/c1csc2ccccc12)\C#N)\C#N"	0	""	""	1	1	"24202815"	NA
"726045"	726045	"Sarcoviolin"	"CCC(C)C1=C(O)[N+]2([O-])Oc3ccc(cc3OC2(C(C)CC)C(=O)N1O)C4=C(O)C(=C(C(=O)C4=O)c5ccc(O)cc5)O"	0	""	""	1	1	"24202820"	NA
"726085"	726085	"Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester"	"COc1ccc(cc1OC)C2C(COC(=O)C)C(=C)C(=O)c3sccc23"	0	""	""	2	2	"24202844"	NA
"726086"	726086	"2,5-di(2-thienyl)furan-3,4-dimethanol"	"OCc1c(CO)c(oc1c2cccs2)c3cccs3"	0	""	""	1	1	"12013259"	NA
"726087"	726087	"1,7-dimethyl-4-(4-dimethylaminobenzyliden)-4h-pyrazolo[1..."	"CN(C)c1ccc(\C=C/2\c3ccc(C)cc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	"24202845"	NA
"726089"	726089	"11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11h-in..."	"COc1ccc2c3\C(=C/c4ccc(cc4)N(C)C)\c5ccccc5n3[n+](C)c2c1"	0	""	""	2	2	"24202849"	NA
"726111"	726111	"2-methylthiazolidine-2,4-dicarbonylic acid- di-sodium salt"	"C[C@@]1(N[C@@H](CS1)C(=O)O)C(=O)O"	0	""	""	1	1	"54612624"	NA
"726112"	726112	"12-(4'-phthalimidobutylidene)-5,6-dihydro-5,11-diketo-2,..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCN4C(=O)c5ccccc5C4=O)\c6cc7OCOc7cc36)c2cc1OC"	0	""	""	1	1	"45027827"	NA
"726125"	726125	"7-Acetyl-6-hydroxy-3-methylbenzofuran carboxylic acid"	"CC(=O)c1c(O)ccc2c(C)c(oc12)C(=O)O"	0	""	""	1	1	"12334349"	NA
"726133"	726133	"4a,5a-Epoxyhelianol"	"C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3CC[C@]4(OC4(C)C)C(CCCO)[C@]3(C)CC[C@@]12C"	0	""	""	1	1	"24202869"	NA
"726144"	726144	"Waol A FD-211"	"C\C=C\[C@H]1O[C@H]2[C@@H](OC(=O)C2=C[C@H]1O)\C=C\C"	0	""	""	2	2	"10354084"	NA
"726146"	726146	"(2S,3S,7aS)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one"	"C\C=C\[C@@H]1O[C@@H]2COC(=O)C2=C[C@@H]1O"	0	""	""	2	2	"24202877"	NA
"726150"	726150	"n,n'-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]hom..."	"C1CNC(=NC1)c2ccc(cc2)N3CCCN(CC3)c4ccc(cc4)C5=NCCCN5"	0	""	""	1	1	"24202881"	NA
"726151"	726151	"N,N'-bis(4-amidinophenyl)homopiperazine"	"NC(=N)c1ccc(cc1)N2CCCN(CC2)c3ccc(cc3)C(=N)N"	0	""	""	1	1	"24202882"	NA
"726152"	726152	"1,4-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]pipe..."	"C1CNC(=NC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C5=NCCCN5"	0	""	""	2	1	"24202883"	NA
"726175"	726175	"Gersemolide"	"CC(=C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)\C=C(\C)/C(=O)C1"	0	""	""	1	1	"12000066"	"106231281"
"726178"	726178	"2-[2-(5-bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol"	"COC(C(O)CC1(C)CC(O)CC(C)(O1)C2CCC3OC(CCC3(C)O2)C4(C)CCC(Br)C(C)(C)O4)C(=C)C"	0	""	""	2	1	"24202892"	NA
"726180"	726180	"methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate"	"COC(=O)C1(CC1)C2CC\C(=C\CC\C(=C\CC[C@@]3(C)O[C@@H]3C2)\C)\C"	0	""	""	2	1	"24202894"	NA
"726181"	726181	"(4S,7S,8E,12R)-4,12-dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one"	"CC(C)\C\1=C\[C@@H](C(=C)C)C(=O)C[C@@H](C)CCC2O[C@]2(C)CC1"	0	""	""	2	1	"24202895"	NA
"726184"	726184	"1,4-di-n-oxide-2-cyano-6,7-difluoro-3-(4-methyl)phenylqu..."	"Cc1ccc(cc1)c2c(C#N)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-]"	0	""	""	1	1	"11702372"	NA
"726185"	726185	"1,4-di-n-oxide-2-cyano-6,7-dichloro-3-(4-methyloxycarbon..."	"COC(=O)c1ccc(cc1)c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-]"	0	""	""	1	1	"11509356"	NA
"726186"	726186	"1,4-di-n-oxide-2-isopropylcarbonyl-3-trifluoromethylquin..."	"CC(C)C(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"24202896"	NA
"726194"	726194	"2-ethyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimid..."	"CCC1=Nc2ccccc2C(=O)N1c3nc(N)c(c(CC)n3)c4ccc(Cl)cc4"	0	""	""	2	2	"24202901"	NA
"726195"	726195	"2-phenyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimi..."	"CCc1nc(nc(N)c1c2ccc(Cl)cc2)N3C(=O)c4ccccc4N=C3c5ccccc5"	0	""	""	1	1	"24202902"	NA
"726197"	726197	"(5ar,6as,10as,10cr)-7,7,10a,10c-tetramethyl-2,5a,6,6a,7,..."	"COC(=O)C1=C2CO[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C)C(=CC1)[C@]23C"	0	""	""	1	1	"12114764"	NA
"726198"	726198	"(3as,4s,5ar,6as,10as,10cs)-4-methoxy-7,7,10a,10c-tetrame..."	"COC1O[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)C4=CCCC1[C@]24C"	0	""	""	1	1	"24202903"	NA
"726216"	726216	"3-(3,4,5-trimethoxyphenyl)-4-phenyl-2(5h)-furanone"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)c3ccccc3"	0	""	""	2	2	"24202904"	NA
"726217"	726217	"combretastatin a4-analogue"	"COc1ccc(cc1OC)C2=C(C(=O)OC2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"11069089"	NA
"726241"	726241	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	1	1	"11849558"	NA
"726247"	726247	"4-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5h)..."	"Oc1ccc(cc1O)C2=C(C(=O)OC2)c3cc(O)c(O)c(O)c3"	0	""	""	1	1	"10881608"	NA
"726262"	726262	"1,1'-{[(bispropane-1,n-diyl)piperzine]dioxy}bis[(11as)-7..."	"COc1cc2C(=O)C3CCC[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7CCCC7C(=O)c6cc5OC)CC4"	0	""	""	2	2	"24202913"	NA
"726267"	726267	"4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol"	"Oc1ccc(cc1)c2nnc3sc(nn23)c4ccc(F)c(Oc5ccccc5)c4"	0	""	""	1	1	"135585388"	NA
"726270"	726270	"N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline"	"Fc1ccc(cc1)c2nn3c(CNc4ccccc4)nnc3s2"	0	""	""	1	1	"11198142"	NA
"726272"	726272	"3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Oc2ccccc2)c3nn4c(COc5ccc(Cl)cc5)nnc4s3"	0	""	""	2	1	"11236342"	NA
"726273"	726273	"3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Oc2ccccc2)c3nn4c(COc5ccc(Cl)cc5Cl)nnc4s3"	0	""	""	1	1	"11237125"	NA
"726291"	726291	"Dehydrospongistatin 2"	"CO[C@H]1C[C@H]2CC(=O)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)C(=C)C[C@H]3C[C@](C)(O)C[C@@]4(C[C@H](C[C@H](CC(=O)O[C@@H]5[C@@H](C)C(O[C@H](CC(=C)C[C@H](O)\C=C\C=C)[C@H]5O)[C@H](O)[C@]6(O)O[C@H](CCC\C=C/[C@H]7C[C@H](O)CC(C1)(O2)O7)[C@H](C)C=C6)O4)OC(=O)C)O3"	0	""	""	3	2	"24202926"	NA
"726305"	726305	"4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione"	"Cc1nnc(S)n1\N=C\c2ccc(F)c(Oc3ccccc3)c2"	0	""	""	1	1	"24202928"	NA
"726310"	726310	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3SCCn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"24202930"	NA
"726311"	726311	"N'-carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	2	2	"24202932"	NA
"726312"	726312	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(C)cn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"24202934"	NA
"726315"	726315	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(C)c(C)n3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	"24202940"	NA
"726327"	726327	"3-bromo-4-(1-hexynyl)-2(5H)-furanone"	"CCCCC#CC1=C(Br)C(=O)OC1"	0	""	""	2	2	"10466937"	NA
"726328"	726328	"3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone"	"CC(C)(C)C#CC1=C(Br)C(=O)OC1"	0	""	""	2	2	"11413833"	NA
"726329"	726329	"3-Bromo-4-phenylethynyl-2(5H)-furanone"	"BrC1=C(COC1=O)C#Cc2ccccc2"	0	""	""	2	2	"10422840"	NA
"726331"	726331	"6-[2-amino-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027828"	NA
"726332"	726332	"6-[3-((2,2-dimethoxyethylamino)-1-propyl)]-5,6-dihydro-2..."	"COC(CNCCCN1C(=O)c2cc(OC)c(OC)cc2C3=C1c4cc5OCOc5cc4C3=O)OC"	0	""	""	2	2	"11363962"	NA
"726364"	726364	"(8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one"	"COc1cc2C(=O)N3C[C@H](O)CC3C=Nc2cc1OCc4ccccc4"	0	""	""	2	2	"24202949"	NA
"726365"	726365	"N-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	1	1	"20826874"	NA
"726367"	726367	"N-[6-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	1	1	"20826872"	NA
"726373"	726373	"(Z)-2-(9H-carbazol-2-yloxy)-N-methoxy-1-(4-methoxyphenyl)ethanimine"	"CO\N=C(/COc1ccc2c(c1)[nH]c3ccccc23)\c4ccc(OC)cc4"	0	""	""	1	1	"11405724"	NA
"726390"	726390	"7-[(2E)-2-hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one"	"O\N=C(\COc1ccc2C(=O)C(=COc2c1)c3ccccc3)/c4ccccc4"	0	""	""	1	1	"24202958"	NA
"726391"	726391	"7-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one"	"O\N=C(\COc1ccc2C(=O)C(=COc2c1)c3ccccc3)/c4ccc(F)cc4"	0	""	""	1	1	"24202959"	NA
"726393"	726393	"7-[(2E)-2-methoxyiminopropoxy]-3-phenylchromen-4-one"	"CO\N=C(/C)\COc1ccc2C(=O)C(=COc2c1)c3ccccc3"	0	""	""	1	1	"24202961"	NA
"726398"	726398	"3-[(2Z)-2-methoxyimino-2-phenylethoxy]xanthen-9-one"	"CO\N=C(/COc1ccc2C(=O)c3ccccc3Oc2c1)\c4ccccc4"	0	""	""	1	1	"24202966"	NA
"726423"	726423	"Arylidene-4-chloro"	"Fc1ccc2CCC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1"	0	""	""	1	1	"24202977"	NA
"726431"	726431	"Pyrane"	"COc1ccc(cc1OC)C2C3=C(OC(=C2C#N)N)c4cc(F)ccc4CCC3"	0	""	""	2	1	"24202985"	NA
"726432"	726432	"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile"	"COc1ccc(cc1OC)c2c3CCCc4ccc(F)cc4c3nc(N)c2C#N"	0	""	""	2	2	"24202986"	NA
"726434"	726434	"4,11-bis[(2-aminoethyl)amino]-1-methyl-1h-naphtho[2,3-f]..."	"Cn1ccc2c(NCCN)c3C(=O)c4ccccc4C(=O)c3c(NCCN)c12"	0	""	""	2	2	"24202987"	NA
"726436"	726436	"4,11-bis[[2-(methylamino)ethyl]amino]-1h-naphtho[2,3-f]i..."	"CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c4[nH]ccc14"	0	""	""	2	2	"16007259"	NA
"726439"	726439	"3-[(dimethylamino)methyl]-4,11-dihydroxy-1h-naphtho[2,3-..."	"CN(C)Cc1c[nH]c2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	"135585398"	NA
"726440"	726440	"4,11-dihydroxy-3-(1-piperazinylmethyl)-1h-naphtho[2,3-f]..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c(CN5CCNCC5)c[nH]c14"	0	""	""	2	2	"135585399"	NA
"726441"	726441	"4,11-dihydroxy-3-[(4-methyl-1-piperazinyl)methyl]-1h-nap..."	"CN1CCN(Cc2c[nH]c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC1"	0	""	""	1	1	"135585400"	NA
"726442"	726442	"4,11-dihydroxy-3-{[4-(2-hydroxyethyl)-1-piperazinyl]meth..."	"OCCN1CCN(Cc2c[nH]c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC1"	0	""	""	2	2	"135585401"	NA
"726444"	726444	"4,11-bis[[2-(methylamino)ethyl]amino]-3-[(dimethylamino)..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4c(CN(C)C)c[nH]c14"	0	""	""	2	2	"24203002"	NA
"726445"	726445	"4,11-bis{[2-(dimethylamino)ethyl]amino}-3-(hydroxymethyl..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4c(CO)c[nH]c14"	0	""	""	2	2	"24203003"	NA
"726449"	726449	"4,11- bis[(2-aminoethyl)amino]-3-(hydroxymethyl)-1h-naph..."	"NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN)c4c(CO)c[nH]c14"	0	""	""	1	1	"24203007"	NA
"726458"	726458	"(2r,5r)-2-palmitoylamido-(3e)-octadecen-1,5-diol)"	"CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)\C=C\[C@H](O)CCCCCCCCCCCCC"	0	""	""	1	1	"54612643"	NA
"726510"	726510	"12-(4'-phthalylaminopentylidene)-5,6-dihydro-5,11-diketo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCN4C(=O)c5ccccc5C4=O)\c6cc7OCOc7cc36)c2cc1OC"	0	""	""	1	1	"45027829"	NA
"726512"	726512	"phloeodictine A 1"	"[Cl-].[Cl-].NC(=N)NCCCCC[N+]1=C2C=CC(O)(CCCCCCCCCCC=C)N2CCC1"	0	""	""	2	2	"24203015"	"155070294"
"726528"	726528	"7-methoxy-8-{4-[7-methoxy-(11as)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"10415114"	NA
"726576"	726576	"dechlorinated rebeccamycin"	"COC1C(CO)OC(C(O)C1O)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	"24203043"	NA
"726577"	726577	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride"	"COC1C(CO)OC(C(OC(=O)C(N)CCCCN)C1O)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	"24203044"	NA
"726578"	726578	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride"	"COC1C(CO)OC(C(O)C1OC(=O)C(N)CCCCN)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	"24203046"	NA
"726616"	726616	"oxadiazole"	"CN1CCN(CN2N=C(OC2=S)c3cc(F)c(Cl)cc3Cl)CC1"	0	""	""	1	1	"11383327"	NA
"726625"	726625	"thiadiazines"	"Fc1cc(C2=Nn3c(SC2)nnc3c4cc(F)c(Cl)cc4Cl)c(Cl)cc1Cl"	0	""	""	1	1	"24203066"	NA
"726627"	726627	"thiadiazines"	"Fc1cc(c(Cl)cc1Cl)c2nnc3SCC(=Nn23)c4ccc(Cl)cc4"	0	""	""	2	2	"24203068"	NA
"726630"	726630	"Belinostat"	"ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc2ccccc2"	0	"HDAC"	"FDA approved"	3	2	"6918638"	"414864009"
"726671"	726671	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	2	2	"11279826"	NA
"726718"	726718	"3-(benzothiazol-6-ylamino)-7-chloro-8-methyl-1,1,-dioxo-..."	"Cc1cc2c(S\C(=C\C(=O)O)\C(=NS2(=O)=O)Nc3ccc4ncsc4c3)cc1Cl"	0	NA	NA	3	2	"48427000"	NA
"726721"	726721	"8-chloro-3-phenyl-7-methyl-5,5-dioxo-2h-pyrrolo[2,3-c][1..."	"Cc1cc2c(SC3=CC(=O)N(C3=NS2(=O)=O)c4ccccc4)cc1Cl"	0	""	""	1	1	"24203097"	NA
"726764"	726764	"11-[2'(s),6'-diaminohexylidene]-5,6-dihydro-5-keto-2,3-d..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\[C@@H](N)CCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"11305794"	NA
"726766"	726766	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	1	1	"11849641"	NA
"726767"	726767	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"45027830"	NA
"726768"	726768	"5,6-dihydro-6-[(4-tert-butyloxycarbonylamino)-1-butyl]-5..."	"CC(C)(C)OC(=O)NCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"11486911"	NA
"726769"	726769	"5,6-dihydro-6-(4-amino-1-butyl)-5,11-dioxo-11h-indeno{1,..."	"NCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"10338254"	NA
"726770"	726770	"cis-6-(2-dimethylamino-1-ethyl)-5,6,12,13-tetrahydro-2,3..."	"COc1cc2[C@H]3[C@@H](N(CCN(C)C)C(=O)c2cc1OC)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	"45027831"	NA
"726771"	726771	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"11849642"	NA
"726794"	726794	"cps42"	"Cc1ccc(C)c2C(=O)N(C(=O)c12)c3ccc(F)cc3F"	0	""	""	1	1	"9900551"	NA
"726795"	726795	"cps45"	"CCC1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(C1=O)c4ccccc4"	0	""	""	1	1	"9933393"	NA
"726796"	726796	"cps49"	"Fc1ccc(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)c(F)c1"	0	""	""	2	2	"9905583"	NA
"726858"	726858	"6-(hexynyl)-2(2H)-pyranone"	"CCCCC#CC1=CC=CC(=O)O1"	0	""	""	1	1	"24203137"	NA
"726861"	726861	"6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone"	"O=C1OC(=CC=C1)C#CCCCCOC2CCCO2"	0	""	""	3	1	"24203140"	NA
"726863"	726863	"6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone"	"O=C1OC(=CC=C1)C#CC#CC2=CCCCC2"	0	""	""	3	2	"10263039"	NA
"726885"	726885	"2-[(E)-(2-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccnc3"	0	""	""	1	1	"24203146"	NA
"726890"	726890	"ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride"	"CCOC(=O)c1nc2sc(Cl)cn2c1\C=N\NC(=N)N"	0	""	""	2	1	"24203150"	NA
"726893"	726893	"(3E)-3-[(2-chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4ccc(OC)cc34)\c2c1"	0	""	""	1	1	"10784359"	NA
"726897"	726897	"(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(nc4sccn34)c5cc(OC)ccc5OC)\c2c1"	0	""	""	2	1	"10812683"	NA
"726899"	726899	"(3E)-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1nc2sccn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	3	2	"10542358"	NA
"726900"	726900	"(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	"O=C1Nc2ccccc2/C/1=C\c3c(nc4sccn34)c5ccccc5"	0	""	""	3	2	"10450131"	NA
"726901"	726901	"(3E)-5-methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(C)nc4sccn34)\c2c1"	0	""	""	2	2	"10662822"	NA
"726902"	726902	"(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	"Cc1nc2sccn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	2	2	"10755270"	NA
"726904"	726904	"(3E)-3-[(2-chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one"	"Cn1c(Cl)c(\C=C/2\C(=O)Nc3ccccc23)c4ccccc14"	0	""	""	2	2	"24203155"	NA
"726905"	726905	"1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one"	"CN1C(=O)\C(=C\c2c(Cl)[nH]c3ccccc23)\c4ccccc14"	0	""	""	1	1	"24203156"	NA
"726906"	726906	"1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one"	"CN1C(=O)\C(=C\c2c(Cl)n(C)c3ccccc23)\c4ccccc14"	0	""	""	2	1	"24203157"	NA
"726971"	726971	"6-[3-(1,1'-dimethyl-2-hydroxyethyl)amino-1-propyl]-5,6-d..."	"COc1cc2C(=O)N(CCCNC(C)(C)CO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027832"	NA
"726972"	726972	"6-[(3-trifluoroacetyl)oxy-1-propyl]-5,6-dihydro-2,3-dime..."	"COc1cc2C(=O)N(CCCOC(=O)C(F)(F)F)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"11375566"	NA
"726973"	726973	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"45027833"	NA
"726974"	726974	"5,6-dihydro-6-(3-imidazolyl-1-propyl)-5,11-dioxo-11h-ind..."	"O=C1N(CCCn2ccnc2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	1	1	"11246320"	NA
"726975"	726975	"5,6-dihydro-6-(3-dimethylamino-1-propyl)-5,6-dioxo-11h-i..."	"CN(C)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"11256032"	NA
"727012"	727012	"(2s,3s)-3,4-epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-..."	"COc1cc(C(=O)O[C@H](C(=O)N)[C@]2(C)CO2)c3cccc(C)c3c1"	0	""	""	2	2	"9927456"	NA
"727013"	727013	"[(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate"	"COc1cc(C(=O)O[C@H](C(=O)N)[C@]2(C)CO2)c3ccccc3c1"	0	""	""	1	1	"24203159"	NA
"727015"	727015	"[(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate"	"Cc1cccc2c(cccc12)C(=O)O[C@H](C(=O)N)[C@]3(C)CO3"	0	""	""	2	2	"24203160"	NA
"727023"	727023	"2-[[2-propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-t..."	"Cc1ccc(cc1)N(CC#C)Cc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F"	0	""	""	2	1	"24203165"	NA
"727038"	727038	"CDDO-Im"	"CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)n6ccnc6"	0	""	""	2	1	"9958995"	"443104027"
"727040"	727040	"6-(1,3-decadiyn-1-yl)-2(2H)-pyranone"	"CCCCCCC#CC#CC1=CC=CC(=O)O1"	0	""	""	3	2	"11775948"	NA
"727048"	727048	"11-(3'-methylaminopropylidene]-5,6-dihydro-5-keto-2,3-di..."	"CNCC\C=C/1\C2=C(N(C)C(=O)c3cc(OC)c(OC)cc23)c4cc5OCOc5cc14"	0	""	""	2	2	"45027834"	NA
"727049"	727049	"11-(6'-aminohexylidene]-5,6-dihydro-5-keto-2,3-dimethoxy..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027835"	NA
"727071"	727071	"Ofloxacin"	"CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O"	0	""	"FDA approved"	1	1	"-1"	"82419361"
"727081"	727081	"16-[3-methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)ccc1OCCN7CCCCC7"	0	""	""	2	2	"24203175"	NA
"727082"	727082	"16-[3-methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCN6CCCCC6"	0	""	""	1	1	"24203176"	NA
"727084"	727084	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-4-and..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	"24203178"	NA
"727086"	727086	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)cc1OC"	0	""	""	3	2	"24203180"	NA
"727087"	727087	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-17-ox..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)cc1OC"	0	""	""	1	1	"24203181"	NA
"727089"	727089	"16-[3-methoxy-4-(2- pyrrolidin-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCN6CCCC6"	0	""	""	2	2	"24203183"	NA
"727091"	727091	"2-[2 - furfuryl - 5)p-phenylene] benzothiazole"	"O=Cc1oc(cc1)c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	"24203185"	NA
"727092"	727092	"2 [5(furfuryl- 2- yl.1,1 - dicyanoethylene)p - phenylene..."	"N#CC(=Cc1oc(cc1)c2ccc(cc2)c3nc4ccccc4s3)C#N"	0	""	""	1	1	"24203186"	NA
"727100"	727100	"({5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furyl}methylene)ma..."	"N#CC(=Cc1oc(cc1)c2ccc(cc2)c3oc4ccccc4n3)C#N"	0	""	""	1	1	"24203194"	NA
"727112"	727112	"Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C=CC(=O)C4=C(O)c5ccccc5C(=O)C134"	0	""	""	1	1	"24203200"	NA
"727113"	727113	"17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=O)C4=C(O)c5ccccc5C(=O)C134"	0	""	""	1	1	"24203201"	NA
"727152"	727152	"1,3,5-cyclohexanetriamine, n,n',n\"-tris[(3-methyl-2-pyri..."	"Cc1cccnc1CNC2CC(CC(C2)NCc3ncccc3C)NCc4ncccc4C"	0	""	""	2	2	"9911352"	"453531583"
"727178"	727178	"2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3ccccc3N"	0	""	""	1	1	"11266822"	NA
"727180"	727180	"2-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	"11311467"	NA
"727183"	727183	"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-"	"c1ccc(nc1)C#Cc2ccccc2C#Cc3ccccn3"	0	""	""	1	1	"624485"	NA
"727185"	727185	"N-[3-[4-[(Z)-6-(2-cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	"O=C(NCCCOc1ccc(cc1)C#C\C=C/C#Cc2ccccc2C#N)c3cc4ccccc4[nH]3"	0	""	""	1	1	"24203205"	NA
"727189"	727189	"(2R)-4-[(12S)-12-hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one"	"C[C@H]1OC(=O)C(=C1)CCCCCCCCCCC[C@H](O)[C@@H]2CCC(=O)O2"	0	""	""	1	1	"24203209"	NA
"727192"	727192	"6,7-dihydro-3-spiro(1-methylpiperidin-4-yl)-5h-imidazo[2..."	"CN1CCC2(CC1)ON=C3NCCN23"	0	""	""	1	1	"10987186"	NA
"727194"	727194	"3-phenyl-6,7-dihydro-5h-imidazo[2,1-c][1,2,4]oxadiazole"	"C1CN2C(ON=C2N1)c3ccccc3"	0	""	""	1	1	"11106127"	NA
"727196"	727196	"3-(4-methoxyphenyl)-6,7-dihydro-5h-imidazo[2,1-c][1,2,4]..."	"COc1ccc(cc1)C2ON=C3NCCN23"	0	""	""	1	1	"11790684"	NA
"727197"	727197	"3-(pyridin-3-yl)6,7-dihydro-5h-imidazo[2,1-c][1,2,4]oxad..."	"C1CN2C(ON=C2N1)c3cccnc3"	0	""	""	1	1	"10856274"	NA
"727200"	727200	"2-Cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline"	"Clc1ccc(cc1)c2nc3cc(Cl)c(Cl)cc3nc2C#N"	0	""	""	2	2	"11709772"	NA
"727202"	727202	"2-Cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline"	"Fc1cc2nc(C#N)c(nc2cc1F)c3ccc(Cl)cc3"	0	""	""	2	2	"11616421"	NA
"727207"	727207	"3,4-bis-(4-methoxyphenyl)-2(5H)-furanone"	"COc1ccc(cc1)C2=C(C(=O)OC2)c3ccc(OC)cc3"	0	""	""	2	2	"14904973"	NA
"727209"	727209	"3-(3,4,5-trimethoxy)-4-(2-naphtyl)-2(5h)-furanone"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)c3ccc4ccccc4c3"	0	""	""	3	2	"10022395"	NA
"727212"	727212	"11-[2'-n-aminopropyl)-aminoethylidene]-5,6-dihydro-5-oxo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CNCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027836"	NA
"727219"	727219	"2,3,4-tri-o-acetyl-1-s-dimethylarsino-1-thio- a -d-xylose"	"C[As](C)SC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	"24203220"	NA
"727220"	727220	"2,3,5-tri-o-acetyl-1-s-dimethylarsino-1-thio-d-ribose"	"C[As](C)SC1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	"24203221"	NA
"727221"	727221	"-D-xylose"	"C[As](C)SC1OCC(O)C(O)C1O"	0	""	""	2	2	"24203222"	NA
"727222"	727222	"1-S-dimethylarsino-1-thio-D-ribose"	"C[As](C)SC1OC(CO)C(O)C1O"	0	""	""	2	2	"24203223"	NA
"727223"	727223	"1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline"	"C[C@@H](CS[As](C)C)C(=O)N1CCC[C@H]1C(=O)O"	0	""	""	2	2	"24203224"	NA
"727224"	727224	"1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline"	"CC[As](CC)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O"	0	""	""	2	2	"24203225"	NA
"727241"	727241	"9,10-Bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene"	"C(CN1CCNCC1)NCc2c3ccccc3c(CNCCN4CCNCC4)c5ccccc25"	0	""	""	1	1	"24203232"	NA
"727282"	727282	"2-bromo-3-methoxy-9,10-dihydro-9,10-[1,2]benzenoanthrace..."	"COC1=C(Br)C(=O)C2=C(C3C4=C(C2c5ccccc35)C(=O)C=CC4=O)C1=O"	0	""	""	1	1	"22629990"	NA
"727284"	727284	"2-bromo-3-methoxy-6-(methylamino)-9,10-dihydrdo-9,10-[1,..."	"CNC1=CC(=O)C2=C(C3C4=C(C2c5ccccc35)C(=O)C(=C(OC)C4=O)Br)C1=O"	0	""	""	1	1	"10389134"	NA
"727285"	727285	"6-(Hydroxymethyl)-1,4-anthracenedione."	"OCc1ccc2cc3C(=O)C=CC(=O)c3cc2c1"	0	""	""	1	1	"11402158"	NA
"727286"	727286	"6-(Bromomethyl)-1,4-anthracenedione."	"BrCc1ccc2cc3C(=O)C=CC(=O)c3cc2c1"	0	""	""	2	2	"9995010"	NA
"727287"	727287	"3-methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole"	"COc1cc(cc(OC)c1OC)[C@@H]2C[C@H]2c3cc(SC)[nH]n3"	0	""	""	1	1	"24203242"	NA
"727288"	727288	"5-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole"	"CSc1cc(on1)[C@@H]2C[C@H]2c3ccc(Cl)cc3"	0	""	""	1	1	"24203243"	NA
"727298"	727298	"6-[(3-thiomorpholyl)-1-propyl)-5,6-dihydro-2,3-dimethoxy..."	"COc1cc2C(=O)N(CCCN3CCSCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	1	1	"16090534"	NA
"727339"	727339	"1,4-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]piperazin..."	"C1CN=C(N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C5=NCCN5"	0	""	""	2	1	"24203245"	NA
"727347"	727347	"Cyclopenta[a]naphthalen-3-one"	"O=C1C=Cc2c1ccc3ccccc23"	0	""	""	1	1	"21218162"	NA
"727350"	727350	"Benzoanthracenone"	"O=C1C=Cc2cc3ccccc3c4cccc1c24"	0	""	""	1	1	"12300036"	NA
"727354"	727354	"6-[(4-fmocamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-8,9-..."	"COc1cc2C(=O)N(CCCCNC(=O)OCC3c4ccccc4c5ccccc35)C6=C(C(=O)c7cc8OCOc8cc67)c2cc1OC"	0	""	""	1	1	"45027837"	NA
"727355"	727355	"6-[(4-tert-bocamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-..."	"COc1cc2C(=O)N(CCCCNC(=O)OC(C)(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027838"	NA
"727356"	727356	"6-(4-amino-1-butyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027839"	NA
"727357"	727357	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"11520587"	NA
"727363"	727363	"3,4-Dichloroisocoumarin"	"ClC1=C(Cl)c2ccccc2C(=O)O1"	0	""	""	1	1	"1609"	"51050590"
"727365"	727365	"tpck"	"Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl"	0	""	""	1	1	"439647"	"402711"
"727367"	727367	"Antipain hydrochloride"	"CC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(CCCNC(=N)N)C=O"	0	""	""	1	1	"24203250"	"37682727"
"727372"	727372	"(2s,3r)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-l-le..."	"CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(cc1)[N+](=O)[O-])C(=O)O"	0	""	""	1	1	"24203255"	"115795158"
"727450"	727450	"1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)cc1"	0	""	""	1	1	"24203257"	NA
"727456"	727456	"(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1cccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)c1"	0	""	""	2	1	"24203263"	NA
"727457"	727457	"2-(benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine"	"CO\N=C(\C)/c1cccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)c1"	0	""	""	1	1	"24203264"	NA
"727472"	727472	"1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"COc1ccc2nc(cc(Nc3ccc(cc3)C(=O)C)c2c1)c4ccccc4"	0	""	""	1	1	"11523527"	NA
"727473"	727473	"(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2nc(cc(Nc3ccc(cc3)\C(=N\O)\C)c2c1)c4ccccc4"	0	""	""	2	1	"11589053"	NA
"727474"	727474	"6-methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine"	"CO\N=C(/C)\c1ccc(Nc2cc(nc3ccc(OC)cc23)c4ccccc4)cc1"	0	""	""	1	1	"11610967"	NA
"727476"	727476	"1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3ccccc23)n4ccnc4)cc1"	0	""	""	1	1	"24203274"	NA
"727483"	727483	"6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine"	"Cn1c2ccccc2c3c(Nc4ccccc4)c5ccccc5nc13"	0	""	""	1	1	"24203281"	NA
"727484"	727484	"5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine"	"Cn1c2ccccc2c(Nc3ccccc3)c4c5ccccc5nc14"	0	""	""	1	1	"135585429"	NA
"727485"	727485	"1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"COc1ccc2nc(cc(Nc3cccc(c3)C(=O)C)c2c1)c4ccccc4"	0	""	""	1	1	"11675057"	NA
"727486"	727486	"(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2nc(cc(Nc3cccc(c3)\C(=N/O)\C)c2c1)c4ccccc4"	0	""	""	1	1	"24203283"	NA
"727487"	727487	"6-methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine"	"CO\N=C(\C)/c1cccc(Nc2cc(nc3ccc(OC)cc23)c4ccccc4)c1"	0	""	""	1	1	"24203284"	NA
"727544"	727544	"6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccccc2"	0	""	""	1	1	"24203326"	NA
"727571"	727571	"ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate"	"CCOC(=O)\C(=C(\C)/NCc1ccccc1)\C2=CC(=O)C(=O)c3ccccc23"	0	""	""	2	2	"24203338"	NA
"727572"	727572	"Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate"	"COC(=O)C1=C2C3=C(N(Cc4ccccc4)C2(OC(=O)C)C=CC1=O)C(=O)c5ccccc5C3=O"	0	""	""	1	1	"24203339"	NA
"727573"	727573	"17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CN1C(=C(C(=O)C)C23C(=O)c4ccccc4C(=C2C(=O)C=CC13O)O)C"	0	""	""	1	1	"24203340"	NA
"727620"	727620	"6-[3-(2-aminoethylamino)]-bis{1-propyl)-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCN(CCN)CCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6cc7OCOc7cc6C5=O)C8=C(C(=O)c9cc%10OCOc%10cc89)c2cc1OC"	0	""	""	2	2	"45027842"	NA
"727621"	727621	"11-(4'-aminobutylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027844"	NA
"727625"	727625	"cis-6-(3-bromopropyl)-5,6,12,13-tetrahydro-2,3-dimethoxy..."	"[O-][N+](=O)c1ccc2[C@@H]3[C@H](N(CCCBr)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	"10095710"	NA
"727629"	727629	"fn-439"	"C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c2ccc(N)cc2)C(C)(C)C)C(=O)NO"	0	""	""	1	1	"24203342"	"124168736"
"727667"	727667	"4,4'-[1,3-phenylenebis(methyleneoxy)] bisbenzenecarboxim..."	"NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(=N)N)c2)cc1"	0	""	""	1	1	"24203365"	"118499926"
"727668"	727668	"3,3'-[1,2-phenylenebis(methyleneoxy)] bisbenzonitrile"	"N#Cc1cccc(OCc2ccccc2COc3cccc(c3)C#N)c1"	0	""	""	1	1	"24203366"	NA
"727670"	727670	"4,4'-[1,2-pohenylenebis(oxymethylene)]bisbenzenecarboxim..."	"NC(=N)c1ccc(COc2ccccc2OCc3ccc(cc3)C(=N)N)cc1"	0	""	""	1	1	"24203367"	"118499904"
"727676"	727676	"dl-thiorphan"	"OC(=O)CNC(=O)C(CS)Cc1ccccc1"	0	""	""	1	1	"3132"	"76721896"
"727679"	727679	"mmp-9/mmp-13 inhibitor ll calbiochem cat. no. 444253"	"COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCc3ccccc3"	0	""	""	1	1	"4230"	NA
"727680"	727680	"mmp-9/mmp-13 inhibitor l calbiochem cat. no. 444252"	"COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	"9983251"	NA
"727687"	727687	"Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate"	"CCOC(=O)CNC(=O)c1ccccc1Nc2ccnc(c2)C(F)(F)F"	0	""	""	2	1	"24203371"	NA
"727718"	727718	"(+)-leucascandrolide a"	"CO[C@H]1CC2CC(CC(CC(=O)O[C@H](C[C@@H]3CCC(C)C(C1)O3)\C=C\CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4"	0	""	""	1	1	"24203379"	NA
"727719"	727719	"(-)-Leucascandrolide A"	"CO[C@@H]1CC2CC(CC(CC(=O)O[C@@H](C[C@H]3CCC(C)C(C1)O3)\C=C\CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4"	0	""	""	1	1	"24203380"	NA
"727722"	727722	"11-[2',3'-diaminopropylidene]-5,6-dihydro-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\C(N)CN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027846"	NA
"727726"	727726	"2-fluoro-8-hydroxy-7-methoxy-1,2,3,11a- tetrahydropyrrol..."	"COc1cc2C(=O)N3C[C@H](F)C[C@H]3C=Nc2cc1O"	0	""	""	2	2	"24203385"	NA
"727728"	727728	"8-{5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyloxy]penty..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCOc4cc(nc(C)n4)c5ccc(F)cc5"	0	""	""	2	1	"12109259"	NA
"727729"	727729	"1, 1'[pentane-1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methox..."	"COc1cc2C(=O)N3CC(F)C[C@H]3C=Nc2cc1OCCCCCOc4cc5N=C[C@@H]6CC(F)CN6C(=O)c5cc4OC"	0	""	""	2	2	"24203387"	NA
"727731"	727731	"1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)-2,5-dihy..."	"Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1"	0	""	""	1	1	"731393"	NA
"727734"	727734	"3-chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino..."	"Cc1ccc(cc1Cl)N2C(=O)C(=C(Nc3cccc(O)c3)C2=O)Cl"	0	""	""	1	1	"1339767"	NA
"727736"	727736	"3-chloro-1-(2,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3ccc(Cl)cc3Cl)c1"	0	""	""	1	1	"1184375"	NA
"727737"	727737	"3-chloro-1-(2,3-dichlorophenyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3cccc(Cl)c3Cl)c1"	0	""	""	1	1	"1339953"	NA
"727740"	727740	"3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3ccccc3Cl)c1"	0	""	""	1	1	"729920"	NA
"727756"	727756	"1-benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-dihyd..."	"Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1Cl"	0	""	""	1	1	"1570148"	NA
"727759"	727759	"1-benzyl-3-chloro-4-(3-chloroanilino)-2,5-dihydro-1h-2,5..."	"ClC1=C(Nc2cccc(Cl)c2)C(=O)N(Cc3ccccc3)C1=O"	0	""	""	1	1	"1554887"	NA
"727760"	727760	"1-benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-dihy..."	"Oc1ccc(Cl)cc1NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O"	0	""	""	2	1	"1567787"	NA
"727764"	727764	"1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-dihyd..."	"Oc1cccc(NC2=C(Sc3ccccc3)C(=O)N(Cc4ccccc4)C2=O)c1"	0	""	""	1	1	"1593709"	NA
"727798"	727798	"4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol"	"Oc1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	1	1	"24203390"	NA
"727801"	727801	"1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone"	"CC(=O)c1cc2OCOc2cc1Nc3c4ccccc4nc5occ(Cl)c35"	0	""	""	2	2	"11675324"	NA
"727805"	727805	"N-(1,3-benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine"	"C1Oc2ccc(Nc3c4ccoc4nc5ccccc35)cc2O1"	0	""	""	1	1	"11659481"	NA
"727826"	727826	"2-[5-amino-1-(3-chlorophenyl)-3-oxo-2,3-dihydro-1h-4-pyr..."	"NC1=C(C(=O)CN1c2cccc(Cl)c2)C3=Nc4ccccc4C(=O)N3"	0	""	""	2	2	"135456438"	NA
"727839"	727839	"n4-cyclohexyl-n4,6-dimethyl-4-quinazolinamine cyclohexyl..."	"CN(C1CCCCC1)c2ncnc3ccc(C)cc23"	0	""	""	1	1	"720997"	NA
"727846"	727846	"n4,n4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6..."	"CC(C)CN(CC(C)C)c1ncnc2ccc(C)cc12"	0	""	""	1	1	"18558695"	NA
"727848"	727848	"4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-6-quinaz..."	"CC1(C)CC2CC(C)(CN2c3ncnc4ccc(Br)cc34)C1"	0	""	""	1	1	"3252078"	NA
"727858"	727858	"(-)-gossypol/ 0.3 hoac"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	2	2	"48427548"	NA
"727885"	727885	"1-benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd..."	"Cc1c(Cl)cccc1NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O"	0	""	""	1	1	"1570150"	NA
"727895"	727895	"n4-isobutyl-2-phenyl-4-quinazolinamine isobutyl(2-phenyl..."	"CC(C)CNc1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	"719700"	NA
"727897"	727897	"n4-(2-furylmethyl)-2-(2,4-dichlorophenyl)-4-quinazolinam..."	"Clc1ccc(c(Cl)c1)c2nc(NCc3occc3)c4ccccc4n2"	0	""	""	1	1	"1186904"	NA
"727899"	727899	"n4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-met..."	"CCCNc1nc(nc2ccccc12)c3ccc(OC)cc3"	0	""	""	1	1	"2791338"	NA
"727901"	727901	"2-(2-phenyl-4-quinazolinylamino)ethyl pivalate"	"CC(C)(C)C(=O)OCCNc1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	"1643479"	NA
"727908"	727908	"[6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OC(C)C(OC(=O)C)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	"24203399"	NA
"727909"	727909	"[6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OCC(OC(=O)C)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	"24203400"	NA
"727920"	727920	"(4R,6S,9E)-6,10-dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one"	"CC(=C)C1CC\C(=C\CC[C@]2(C)O[C@@H]2CCC3=CC1OC3=O)\C"	0	""	""	1	1	"24203410"	NA
"727926"	727926	"dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cc(OC)ccc3OC)C(=O)OC"	0	""	""	2	2	"24203414"	NA
"727927"	727927	"dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cccc(OC)c3)C(=O)OC"	0	""	""	2	2	"24203415"	NA
"727928"	727928	"dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3ccccc3OC)C(=O)OC"	0	""	""	2	2	"24203416"	NA
"727929"	727929	"dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cccc(OC)c3OC)C(=O)OC"	0	""	""	2	2	"24203417"	NA
"727930"	727930	"Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=CNC=C(C1C2=CC(=O)C(=CC2=O)C)C(=O)OC"	0	""	""	2	2	"24203418"	NA
"727947"	727947	"2-[3-benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-ma..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	1	1	"18530973"	NA
"727948"	727948	"2-[3-(2-chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen..."	"Fc1ccc(S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2)c(Cl)c1"	0	""	""	2	2	"18526618"	NA
"727950"	727950	"5-(benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyan..."	"CCOC(=O)\C(=C/C=C(/Sc1nc2ccccc2s1)\c3ccc(Cl)cc3)\C#N"	0	""	""	1	1	"24203419"	NA
"727951"	727951	"2-[3-(4-chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulf..."	"CCOc1ccc2nc(S\C(=C\C=C(C#N)C#N)\c3ccc(Cl)cc3)sc2c1"	0	""	""	1	1	"6522377"	NA
"727955"	727955	"[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile"	"Clc1ccc(cc1)C(=O)\C=C/NCC#N"	0	""	""	1	1	"24203420"	NA
"727958"	727958	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"COc1ccc(OC)c(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	2	1	"1194860"	NA
"727959"	727959	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574650"	NA
"727962"	727962	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"Oc1ccccc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	2	2	"7897244"	NA
"727966"	727966	"n4,n4-di(2-methoxyethyl)-2-phenyl-4-quinazolinamine di(2..."	"COCCN(CCOC)c1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	"1564647"	NA
"727967"	727967	"n4,n4-diethyl-2-(2,4-dichlorophenyl)-4-quinazolinamine 2..."	"CCN(CC)c1nc(nc2ccccc12)c3ccc(Cl)cc3Cl"	0	""	""	2	2	"18593627"	NA
"727969"	727969	"3-chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-dihydro-..."	"Cc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	1	1	"1574961"	NA
"727972"	727972	"3-chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)..."	"FC(F)(F)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	2	2	"1574997"	NA
"727973"	727973	"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-dih..."	"Oc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	1	1	"1575025"	NA
"727974"	727974	"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino..."	"Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1O"	0	""	""	1	1	"1575028"	NA
"727982"	727982	"nsc 701656 incorporated in micelles, 0.73% (w/w) of drug."	NA	0	NA	NA	1	1	"91145125"	NA
"727983"	727983	"nsc 701657 incorporated in micelles, 0.25% (w/w) of drug"	NA	0	NA	NA	4	2	"91145126"	NA
"727985"	727985	"nsc 708781 incorporated in micelles, 0.55% (w/w) of drug"	NA	0	NA	NA	1	1	"91145128"	NA
"727986"	727986	"nsc 708782 incorporated in micelles, 0.45% (w/w) of drug"	NA	0	NA	NA	1	1	"91145129"	NA
"727987"	727987	"nsc 708783 incorporated in micelles, 0.20% (w/w) of drug"	NA	0	NA	NA	1	1	"91145130"	NA
"727988"	727988	"nsc 708788 incorporated in micelles, 0.20% (w/w) of drug"	NA	0	NA	NA	1	1	"91145131"	NA
"727989"	727989	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:STK,YK,MET,EGFR,ERBB2,KIT,RAF,VEGFR"	"FDA approved"	2	2	"11679357"	"388082777"
"728028"	728028	"1 - ethyl -6 - (ethylthio) - 1h - pyrazolo[3,4-d]pyrimid..."	"CCSc1nc(N)c2cnn(CC)c2n1"	0	""	""	1	1	"24203438"	NA
"728029"	728029	"1,3 - benzthiazo - 2(3h)- ylidene malononitrile"	"N#CC(=C1Nc2ccccc2S1)C#N"	0	""	""	1	1	"641563"	NA
"728030"	728030	"6'- amino-2'-oxo-2',3'-dihydro-1'h,3h-spiro[1,3-benzothi..."	"NC1=C(C#N)C2(NC(=O)N1)Nc3ccccc3S2"	0	""	""	2	1	"24203439"	NA
"728032"	728032	"6'-amino-2'-thioxo-1',2',3,3'-tetrahydro-1h-spiro[benzim..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3N2"	0	""	""	1	1	"24203441"	NA
"728035"	728035	"1n-{2-[7-methoxy-5-oxo-(11as)-2,3,5,11a-tetrahydro-1h-be..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCNC(=O)\C=C\4/C[C@H]5C=Nc6cc(OCc7ccccc7)c(OC)cc6C(=O)N5C4"	0	""	""	1	1	"10032352"	NA
"728036"	728036	"2-[(3,4-dicloro)phenoxy]-3-phenyl-5,7-diamino quinoxaline"	"Nc1cc(N)c2nc(c(Oc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	"24203443"	NA
"728037"	728037	"2-[(3,4-dicloro)anilino]-3-phenyl-5,7-diamino quinoxaline"	"Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	"24203444"	NA
"728038"	728038	"2[(3,4-dicloro)benzylamino]-3-phenyl-5,7-diamino quinoxa..."	"Nc1cc(N)c2nc(c(NCc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	"24203445"	NA
"728039"	728039	"2-[4-(Methoxy)anilino]-6,8-diamino quinoxaline"	"COc1ccc(Nc2cnc3cc(N)cc(N)c3n2)cc1"	0	""	""	1	1	"24203446"	NA
"728040"	728040	"2-[4-(Methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline"	"COc1ccc(Sc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	"24203447"	NA
"728063"	728063	"2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine"	"c1ccc(C#Cc2cnccn2)c(c1)C#Cc3cnccn3"	0	""	""	2	1	"11471574"	NA
"728071"	728071	"3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol"	"OCC#Cc1ccccc1C#Cc2ccc(cc2)C#Cc3ccccc3C#CCO"	0	""	""	1	1	"24203456"	NA
"728073"	728073	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	2	2	"60838"	"97682445"
"728074"	728074	"2-carboxy-(2'-furyl)-6,7-dichloro-3-trifluoromethylquino..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(Cl)c(Cl)cc13)C(F)(F)F"	0	""	""	2	2	"23635643"	NA
"728075"	728075	"2-carboxyphenyl-6,7-difluoro-3-methylquinoxaline 1,4-dio..."	"Cc1c(C(=O)c2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	"24203458"	NA
"728076"	728076	"2-carboxy-(2'-furyl)-6,7-difluoro-3-trifluoromethylquino..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	4	2	"23635642"	NA
"728077"	728077	"2-cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxa..."	"COC(=O)c1ccc(cc1)c2nc3cc(F)c(F)cc3nc2C#N"	0	""	""	2	2	"24203459"	NA
"728078"	728078	"2-carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxali..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(Cl)cc13)C(F)(F)F"	0	""	""	3	2	"23635647"	NA
"728079"	728079	"2-carboxy-tert-butyl-6,7-dimethyl-3-trifluoromethylquino..."	"Cc1cc2c(cc1C)[n+]([O-])c(c(C(=O)C(C)(C)C)[n+]2[O-])C(F)(F)F"	0	""	""	1	1	"24203460"	NA
"728083"	728083	"2-carboxy-(2'-theonyl)-6,7-dichloro-3-trifluoromethylqui..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(Cl)c(Cl)cc13)C(F)(F)F"	0	""	""	2	2	"23635522"	NA
"728084"	728084	"7-chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxa..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(Cl)cc13)C(F)(F)F"	0	""	""	3	2	"23635526"	NA
"728085"	728085	"6,7-difluoro-2-(thien-2-yl)carbonyl-3-trifluoromethyl qu..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	3	2	"23635415"	NA
"728086"	728086	"2-carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-di..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccccc13)C(F)(F)F"	0	""	""	2	2	"23635641"	NA
"728087"	728087	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"45027847"	NA
"728088"	728088	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)CCN(CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O)C(=O)OC(C)(C)C"	0	""	""	1	1	"11849595"	NA
"728089"	728089	"6-[3-(aminobutylamino)-1-propyl]-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCNCCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027848"	NA
"728090"	728090	"6-[3-(4-aminopiperidine)-1-propyl]-5,6-dihydro-2,3-dimet..."	"COc1cc2C(=O)N(CCCN3CCC(N)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"45027850"	NA
"728091"	728091	"6-[(3-hydroxy)-1-propyl]-5,6-dihydro-2,3-dimethoxy-8,9-m..."	"COc1cc2C(=O)N(CCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027851"	NA
"728092"	728092	"6-[(3-diethoxybutylamino)-1-propyl]-5,6-dihdro-2,3-dimet..."	"CCOC(CCCNCCCN1C(=O)c2cc(OC)c(OC)cc2C3=C1c4cc5OCOc5cc4C3=O)OCC"	0	""	""	1	1	"45027852"	NA
"728115"	728115	"n4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-q..."	"Clc1ccc(Nc2ncnc3ccccc23)cc1"	0	""	""	1	1	"2789325"	NA
"728125"	728125	"3-(4-Quinazolinylamino)phenyl 2-chlorobenzoate"	"Clc1ccccc1C(=O)Oc2cccc(Nc3ncnc4ccccc34)c2"	0	""	""	1	1	"1187613"	NA
"728128"	728128	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cccc(Cl)c3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574647"	NA
"728129"	728129	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"COc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	"1194948"	NA
"728130"	728130	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	2	2	"1194953"	NA
"728132"	728132	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574702"	NA
"728133"	728133	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574706"	NA
"728134"	728134	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"COc1ccc(Cl)cc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	"1194969"	NA
"728135"	728135	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	"1194988"	NA
"728137"	728137	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1ccccc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	2	2	"1676286"	NA
"728143"	728143	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"Oc1ccc(Cl)cc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	1	1	"1676297"	NA
"728165"	728165	"Lificguat"	"OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24"	0	"HYP|HIF1|EPAS1"	"Clinical trial"	2	2	"5712"	"170632470"
"728188"	728188	"7-chloro -4- ( 4,6-dimethyl thio- pyrazolo [3,4-d] pyrim..."	"CSc1nc(SC)c2cnn(c3ccnc4cc(Cl)ccc34)c2n1"	0	""	""	2	2	"24203467"	NA
"728195"	728195	"1-(2-chloro,6-fluorobenzyl)-2-(2-chloro,6-fluorophenyl)-..."	"Cc1cc2nc(c3c(F)cccc3Cl)n(Cc4c(F)cccc4Cl)c2cc1C"	0	""	""	1	1	"24203473"	NA
"728196"	728196	"1-(2,3-dihidroxybenzyl)-2-(2,3-dihydroxyphenyl)-benzimid..."	"Oc1cccc(Cn2c(nc3ccccc23)c4cccc(O)c4O)c1O"	0	""	""	1	1	"135585440"	NA
"728197"	728197	"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-5,6-dime..."	"Cc1cc2nc(c3ccc(O)c(O)c3)n(Cc4ccc(O)c(O)c4)c2cc1C"	0	""	""	1	1	"135585441"	NA
"728218"	728218	"2-[3-(6-ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-ally..."	"CCOc1ccc2nc(S\C(=C\C=C(C#N)C#N)\c3ccc(C)cc3)sc2c1"	0	""	""	1	1	"6529944"	NA
"728220"	728220	"1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone"	"Brc1cccc(c1)C(=O)\C=C/Sc2ccccn2"	0	""	""	1	1	"24203485"	NA
"728221"	728221	"5,5-dimethyl-3-[2-(2,3,5,6-tetrachloro-pyridin-4-ylsulfa..."	"CC1(C)CC(=O)C=C(C1)\C=C\Sc2c(Cl)c(Cl)nc(Cl)c2Cl"	0	""	""	1	1	"24203486"	NA
"728271"	728271	"N-[3-[4-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(OCCCNC(=O)c3cc4ccccc4[nH]3)cc2"	0	""	""	1	1	"24203495"	NA
"728316"	728316	"6-(3-piperazinyl-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9..."	"COc1cc2C(=O)N(CCCN3CCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"16049841"	NA
"728317"	728317	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1C2C(N(CCCNCCCCNCCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C(=O)c7ccccc27)c8ccccc18"	0	""	""	2	2	"45027853"	NA
"728318"	728318	"6-[3-(3-hydroxypiperidinyl)-1-propyl]-5,6-dihydro-2,3-di..."	"COc1cc2C(=O)N(CCCN3CCCC(O)C3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"16090535"	NA
"728319"	728319	"6-(3-homopiperazinyl1-1-propyl)-5,6-dihydro-2,3-dimethox..."	"COc1cc2C(=O)N(CCCN3CCCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	"45027855"	NA
"728320"	728320	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"CN(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	2	2	"11849561"	NA
"728321"	728321	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCN(CCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)C(=O)OC(C)(C)C)CCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	1	1	"11849594"	NA
"728322"	728322	"16-[3-methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C2OC(=O)C)N6CCCC6)ccc1OCCN7CCCC7"	0	""	""	1	1	"24203498"	NA
"728323"	728323	"16-[3-methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCN6CCCC6"	0	""	""	2	2	"24203499"	NA
"728324"	728324	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4..."	"COc1cc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCCn6ccnc6"	0	""	""	1	1	"16051320"	NA
"728325"	728325	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-1..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCCn6ccnc6"	0	""	""	1	1	"24203500"	NA
"728336"	728336	"3-chlor-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"Oc1ccc2oc3ncc(Cl)c(c4ccccc4)c3c2c1"	0	""	""	1	1	"6538870"	NA
"728413"	728413	"4-fluoro-n-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-be..."	"COc1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3ccc(O)cc3"	0	""	""	1	1	"24203513"	NA
"728415"	728415	"4-fluoro-3-methoxy-n-[4-(5-phenyl-4,5-dihydro-1h-pyrazol..."	"COc1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4"	0	""	""	1	1	"24203515"	NA
"728450"	728450	"1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene"	"O=S(=O)(CC#CCCCOCC#Cc1ccccc1C#CCS(=O)(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	"24203526"	NA
"728456"	728456	"2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2cnccn2"	0	""	""	1	1	"24203529"	NA
"728457"	728457	"2-Acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	"CC(=O)c1c([n+]([O-])c2ccc(Cl)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"24203530"	NA
"728458"	728458	"2-Acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide"	"CC(=O)c1c([n+]([O-])c2ccc(C)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	"24203531"	NA
"728459"	728459	"fluoro quinolone derivatives"	"OC(=O)C1=CNc2cc(N3CCN(C\C(=N/NC(=O)c4ccncc4)\c5ccc(Cl)cc5)CC3)c(F)cc2C1=O"	0	""	""	1	1	"24203532"	NA
"728502"	728502	"2-carbamoylmethylthio-4-chloro-5-methyl-n-(5,6-diphenyl-..."	"Cc1cc(c(SCC(=O)N)cc1Cl)S(=O)(=O)Nc2nnc(c3ccccc3)c(n2)c4ccccc4"	0	""	""	1	1	"11785806"	NA
"728503"	728503	"2-benzylthio-5-carbamoyl-4-chloro-n-(5,6-diphenyl-1,2,4-..."	"NC(=O)c1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)Nc3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	2	1	"11490199"	NA
"728506"	728506	"2-benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-n-(5,6..."	"Clc1ccc(NC(=O)c2cc(c(SCc3ccccc3)cc2Cl)S(=O)(=O)Nc4nnc(c5ccccc5)c(n4)c6ccccc6)cc1"	0	""	""	2	1	"11262540"	NA
"728507"	728507	"2-[benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzen..."	"CNN\C(=N/S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1SCc3ccccc3)\N=C\c4ccc(s4)[N+](=O)[O-]"	0	""	""	2	2	"11763828"	NA
"728509"	728509	"1-(2-benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony..."	"CC(=O)\C(=N\NC(=N)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1SCc3ccccc3)\C"	0	""	""	1	1	"11226727"	NA
"728512"	728512	"1-allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methyl..."	"CSc1cc(Cl)c(cc1S(=O)(=O)\N=C(\NCC=C)/N\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)Nc3ccc(Cl)cc3"	0	""	""	2	2	"17756726"	NA
"728518"	728518	"2-(4-chloro-2-carbamoylmethylthio-5-methylbenzenesulfony..."	"Cc1cc(c(SCC(=O)N)cc1Cl)S(=O)(=O)\N=C(\NCC#C)/N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"23583910"	NA
"728553"	728553	"4-phenylethynyl-3-(3,4,5-trimethoxy-phenyl)-5h-furan-2-one"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)C#Cc3ccccc3"	0	""	""	2	2	"11484899"	NA
"728554"	728554	"3-Chloro-4-phenylethynyl-5H-furan-2-one"	"ClC1=C(COC1=O)C#Cc2ccccc2"	0	""	""	1	1	"11435928"	NA
"728574"	728574	"5[(4-hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyaz..."	"CCCN1\C(=N\c2ccccc2)\S\C(=C/c3ccc(O)cc3)\C1=O"	0	""	""	1	1	"24203565"	NA
"728594"	728594	"2-[(Z)-6-thiophen-2-ylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2cccs2"	0	""	""	2	2	"11402431"	NA
"728598"	728598	"2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3cnccn3"	0	""	""	1	1	"24203580"	NA
"728599"	728599	"2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3cccs3"	0	""	""	1	1	"24203581"	NA
"728666"	728666	"2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline"	"CSc1ccccc1C#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	"24203586"	NA
"728667"	728667	"2-[(Z)-6-phenylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2"	0	""	""	1	1	"24203587"	NA
"728854"	728854	"5,6-dihydro-6-(3-guanidinyl-1-propyl)-5,11-dioxo-11h-ind..."	"NC(=N)NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"11167068"	NA
"728855"	728855	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCCN2CCN(CCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)CC2)C7=C(C(=O)c8ccccc78)c9ccccc19"	0	""	""	2	2	"45027856"	NA
"728856"	728856	"5,6-dihydro-6-[3-(3-imidazolylpropyl)amino-1-propyl]-5,1..."	"O=C1N(CCCNCCCn2ccnc2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	2	2	"45027857"	NA
"728857"	728857	"6-(4-trichloroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCCOC(=O)C(Cl)(Cl)Cl)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027858"	NA
"728901"	728901	"2-[(E)-[6-(4-chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	"16099315"	NA
"728905"	728905	"2-[(E)-[6-(2,5-dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cc(c(C)s1)c2nc3sc(C)cn3c2\C=N\NC(=N)N"	0	""	""	1	1	"24203627"	NA
"728907"	728907	"2-[(E)-(6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccsc3"	0	""	""	1	1	"24203631"	NA
"728910"	728910	"2-[(E)-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccncc3"	0	""	""	1	1	"24203636"	NA
"728979"	728979	"6-(3-azidopropyl)-5,6-dihydro-8,9-methylenedioxy-3-nitro..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	"10070686"	NA
"729025"	729025	"1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-d-ribosyl 5-ni..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)n2cnc(c2N)[N+](=O)[O-])OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"24203651"	NA
"729027"	729027	"2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole"	"O=Cc1ccc(s1)c2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	"24203652"	NA
"729029"	729029	"2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole"	"O=Cc1ccc(s1)c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"24203654"	NA
"729031"	729031	"6'-amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzothiazol..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3S2"	0	""	""	1	1	"24203655"	NA
"729033"	729033	"6'-amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzoxazole-..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3O2"	0	""	""	1	1	"24203657"	NA
"729037"	729037	"6'-amino-2'-morpholin-4-yl-1'h,3h-spiro[1,3-benzimidazol..."	"NC1=C(C#N)C2(Nc3ccccc3N2)N=C(N1)N4CCOCC4"	0	""	""	1	1	"24203661"	NA
"729052"	729052	"1,4-dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-chlorophenyl)-..."	"Oc1cc2ccccc2cc1C3=NNC(=S)N3c4ccc(Cl)cc4"	0	""	""	1	1	"135520287"	NA
"729056"	729056	"1,4-dihydro-3-(3-benzoyloxy-2-naphthyl)-4-ethyl-5h-1,2,4..."	"CCN1C(=S)NN=C1c2cc3ccccc3cc2OC(=O)c4ccccc4"	0	""	""	1	1	"10981661"	NA
"729108"	729108	"n,n-(6',12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,..."	"C(CCN1CCCCC1)CNc2cc3c4ccccc4c(NCCCCN5CCCCC5)cc3c6ccccc26"	0	""	""	1	1	"11250083"	NA
"729109"	729109	"trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone"	"CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)c2cc3c4ccccc4ccc3c5ccccc25)c6ccccc6"	0	""	""	2	2	"24203669"	NA
"729113"	729113	"2-(4-amino-6-phenylpiperazin-1-yl-1,3,5-triazin-2-yl)-2-..."	"CN(C)c1ccc(cc1)\N=C(\C#N)/c2nc(N)nc(n2)N3CCN(CC3)c4ccccc4"	0	""	""	2	1	"11676277"	NA
"729115"	729115	"2-[4-amino-6-(5-ethyl-4-methyl-4,5-dihydro-1h-pyrazol-1-..."	"CCC1C(C)C=NN1c2nc(N)nc(n2)\C(=N/c3ccc(cc3)N(C)C)\C#N"	0	""	""	1	1	"11610533"	NA
"729131"	729131	"AC1LLQ0L"	"[O-][N+](=O)c1ccc2N(C3=NC(=O)NC(=O)C3=Cc2c1)c4cccc(Cl)c4"	0	""	""	1	1	"1114144"	"317326902"
"729132"	729132	"HLI-98D"	"[O-][N+](=O)c1ccc2N(C3=NC(=O)NC(=O)C3=Cc2c1)c4ccc(Cl)cc4"	0	""	""	1	1	"1114145"	"317326913"
"729133"	729133	"STK558857"	"Cc1ccc(cc1)N2C3=NC(=O)NC(=O)C3=Cc4cc(ccc24)[N+](=O)[O-]"	0	""	""	1	1	"931309"	"310421568"
"729141"	729141	"3-[(2E)-2-hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one"	"O\N=C(\COC1=C(Oc2ccccc2C1=O)c3ccccc3)/c4ccccc4"	0	""	""	1	1	"24203676"	NA
"729143"	729143	"3-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one"	"COc1ccc(cc1)\C(=N/O)\COC2=C(Oc3ccccc3C2=O)c4ccccc4"	0	""	""	1	1	"24203678"	NA
"729144"	729144	"6-[(2E)-2-hydroxyiminopropoxy]-2-phenylchromen-4-one"	"C\C(=N/O)\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3"	0	""	""	1	1	"24203679"	NA
"729145"	729145	"6-[(2E)-2-hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one"	"O\N=C(\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3)/c4ccccc4"	0	""	""	1	1	"11653610"	NA
"729146"	729146	"6-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one"	"O\N=C(\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3)/c4ccc(F)cc4"	0	""	""	1	1	"24203680"	NA
"729156"	729156	"6-[(Z)-hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"N\N=C/C1=C2Oc3ccccc3N2C(=O)c4ccccc14"	0	""	""	1	1	"24203689"	NA
"729157"	729157	"6-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"O=C1N2C(=C(\C=N/NC3=NCCN3)c4ccccc14)Oc5ccccc25"	0	""	""	1	1	"24203690"	NA
"729164"	729164	"n,n'-dicycloheptyl 4,4'-(1,4-piperazinediyl)bisbenzeneca..."	"N=C(NC1CCCCCC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NC5CCCCCC5"	0	""	""	1	1	"24203696"	NA
"729165"	729165	"n,n'-dioctyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim..."	"CCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCC"	0	""	""	1	1	"24203697"	NA
"729166"	729166	"n,n'-didecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim..."	"CCCCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCCCC"	0	""	""	1	1	"24203698"	NA
"729168"	729168	"n,n'-diheptyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxi..."	"CCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCC"	0	""	""	3	2	"24203700"	NA
"729169"	729169	"n,n'-dicyclooctyl 4,4'-(1,4-piperazinediyl)bisbenzenecar..."	"N=C(NC1CCCCCCC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NC5CCCCCCC5"	0	""	""	1	1	"24203701"	NA
"729170"	729170	"n,n'-diisoamyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox..."	"CC(C)CCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCC(C)C"	0	""	""	1	1	"24203702"	NA
"729171"	729171	"n,n'-didodecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox..."	"CCCCCCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCCCCCC"	0	""	""	1	1	"24203703"	NA
"729172"	729172	"n,n'-di(2-methylbutyl) 4,4'-(1,4-piperazinediyl)bisbenze..."	"CCC(C)CNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCC(C)CC"	0	""	""	1	1	"24203704"	NA
"729176"	729176	"6,7-dimethyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylqui..."	"Cc1cc2c(cc1C)[n+]([O-])c(c(C(=O)c3cccs3)[n+]2[O-])C(F)(F)F"	0	""	""	2	2	"23635414"	NA
"729178"	729178	"7-methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinox..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)c3cccs3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	"23635524"	NA
"729179"	729179	"1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one"	"CCC(=O)c1c([n+]([O-])c2ccc(C)cc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	"24203707"	NA
"729181"	729181	"n-[(3z)-5-anilino-4-chloro-3h-1,2-dithiol-3-ylidene]-4-m..."	"Cc1ccc(cc1)S(=O)(=O)\N=C\2/SSC(=C2Cl)Nc3ccccc3"	0	""	""	1	1	"24203709"	NA
"729183"	729183	"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione"	"ClC1=C(Sc2ccccn2)SSC1=S"	0	""	""	1	1	"16766538"	NA
"729184"	729184	"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione"	"ClC1=C(Oc2ccccc2)SSC1=S"	0	""	""	1	1	"16766044"	NA
"729186"	729186	"ethyl (3z)-4,5-dichloro-3h-1,2-dithiol-3-ylidenecarbamate"	"CCOC(=O)\N=C\1/SSC(=C1Cl)Cl"	0	""	""	1	1	"24203710"	NA
"729189"	729189	"dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxo..."	"COC(=O)C1=C(SC(=C(Cl)C(=S)Nc2ccccc2O)S1)C(=O)OC"	0	""	""	1	1	"16766542"	NA
"729190"	729190	"dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoeth..."	"COC(=O)C1=C(SC(=C(Cl)C(=S)Sc2ccccc2N)S1)C(=O)OC"	0	""	""	1	1	"24203712"	NA
"729192"	729192	"5,6,7-trihydroxyflavone"	"Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3"	0	NA	NA	1	1	"48428137"	"491678"
"729193"	729193	"5,7,8-Trimethoxy-2-(2-phenylmethoxyphenyl)chromen-4-one"	"COc1cc(OC)c2C(=O)C=C(Oc2c1OC)c3ccccc3OCc4ccccc4"	0	""	""	1	1	"24203714"	NA
"729194"	729194	"(2Z)-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one"	"Cc1c2CCc3ccccc3c2nn1c4ccc(S\N=C\5/SCC(=O)CN5c6ccccc6)cc4"	0	""	""	1	1	"24203715"	NA
"729195"	729195	"(2Z)-3-benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one"	"Cc1c2CCc3ccccc3c2nn1c4ccc(S\N=C\5/SCC(=O)CN5Cc6ccccc6)cc4"	0	""	""	1	1	"24203716"	NA
"729200"	729200	"1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea"	"Cc1c2CCc3ccccc3c2nn1c4ccc(cc4)S(=O)(=O)NC(=S)Nc5ccccc5"	0	""	""	1	1	"24203721"	NA
"729202"	729202	"N-[[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	"Cc1c2CCc3ccccc3c2nn1c4ccc(cc4)S(=O)(=O)NC(=S)NC(=O)c5ccccc5"	0	""	""	1	1	"24203723"	NA
"729211"	729211	"cis-3-O-p-hydroxycinnamoyl ursolic acid"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O"	0	""	""	1	1	"24203732"	"331243426"
"729297"	729297	"Pyridone-4-CH3"	"Cc1ccc(cc1)C2=C(C#N)C(=O)NC3=C2COc4ccc(F)cc34"	0	""	""	1	1	"11530049"	NA
"729305"	729305	"dibenzopyran"	"Nc1c(C#N)c(c2COc3ccc(F)cc3c2c1C#N)c4ccc(Cl)cc4"	0	""	""	1	1	"24203752"	NA
"729352"	729352	"2,3-dimethoxy-5,6-dihydro-5,11-diketo-6-(9h-fluoren-9-yl..."	"COc1cc2C(=O)N(CCCNC(=O)OCC3c4ccccc4c5ccccc35)C6=C(C(=O)c7cc8OCOc8cc67)c2cc1OC"	0	""	""	2	2	"11215802"	NA
"729358"	729358	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCCN(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)C(=O)OC(C)(C)C)CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	1	1	"11849640"	NA
"729466"	729466	"2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline"	"Nc1ccccc1C#CC#Cc2ccccc2N"	0	""	""	1	1	"2749742"	NA
"729470"	729470	"(13S,17S)-17-[2-[4-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc5ccc(cc5)C#C\C=C/C#Cc6ccccc6N"	0	""	""	1	1	"24203773"	NA
"729475"	729475	"8,9-dimethoxy-2,3-methylenedioxy-11h-indeno[1,2-c]isoqui..."	"COc1cc2Cc3c(ncc4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"11164186"	NA
"729476"	729476	"4-(3-chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"24203775"	NA
"729500"	729500	"isoindolo[2,1-c]benzo[1,2,4]triazine"	"FC(F)(F)c1ccc2nnc3c4ccccc4c(C#N)n3c2c1"	0	""	""	1	1	"16066791"	NA
"729517"	729517	"2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile"	"O=C(N1CCN(C=C(C#N)C#N)C1=S)c2ccccc2"	0	""	""	1	1	"24203785"	NA
"729518"	729518	"methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate"	"COC(=O)\C(=C/N1CCN(C(=O)c2occc2)C1=S)\C#N"	0	""	""	1	1	"24203786"	NA
"729519"	729519	"3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione"	"CC(=O)C(=CN1CCN(C(=O)c2occc2)C1=S)C(=O)C"	0	""	""	1	1	"24203787"	NA
"729520"	729520	"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile"	"O=C(N1CCN(C=C(C#N)C#N)C1=S)c2occc2"	0	""	""	1	1	"24203788"	NA
"729521"	729521	"(Z)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile"	"O=C(N1CCN(\C=C(\C#N)/C(=O)c2ccccc2)C1=S)c3occc3"	0	""	""	1	1	"24203789"	NA
"729522"	729522	"ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate"	"CCOC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)c3ccccc3"	0	""	""	1	1	"24203790"	NA
"729523"	729523	"(2Z)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione"	"CC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)c3ccccc3"	0	""	""	1	1	"24203791"	NA
"729524"	729524	"(Z)-N-(4-chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide"	"Clc1ccc(NC(=O)\C(=C/N2CCN(C(=O)c3occc3)C2=S)\C#N)cc1"	0	""	""	1	1	"24203792"	NA
"729525"	729525	"(Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide"	"NC(=O)\C(=C/N1CCN(C(=O)c2occc2)C1=S)\C#N"	0	""	""	1	1	"24203793"	NA
"729526"	729526	"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione"	"O=C(N1CCN(C=C(C(=O)c2ccccc2)C(=O)c3ccccc3)C1=S)c4occc4"	0	""	""	1	1	"24203794"	NA
"729527"	729527	"methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate"	"COC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)C"	0	""	""	1	1	"24203795"	NA
"729529"	729529	"(E)-3-(2,3-dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cccc(Cl)c3Cl"	0	""	""	2	2	"5992706"	NA
"729530"	729530	"AR-685/43307765"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"6214002"	NA
"729531"	729531	"(E)-3-(3,4-dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3ccc(OC)c(OC)c3"	0	""	""	1	1	"8857297"	NA
"729532"	729532	"AR-685/43307772"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3occc3"	0	""	""	1	1	"16044754"	NA
"729604"	729604	"N-[2-(dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	"CN(C)CCNC(=O)c1ccc2N3C(=Cc4ccccc4C3=O)Oc2c1"	0	""	""	1	1	"24203799"	NA
"729606"	729606	"N-[2-(2-hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	"OCCNCCNC(=O)c1ccc2N3C(=Cc4ccccc4C3=O)Oc2c1"	0	""	""	1	1	"24203801"	NA
"729607"	729607	"N-[2-(dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide"	"CN(C)CCNC(=O)c1ccc2OC3=Cc4ccccc4C(=O)N3c2c1"	0	""	""	1	1	"24203802"	NA
"729613"	729613	"6'-amino-2'-thioxo-1',2',3,3'-tetrahydro-1h-spiro[benzot..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=S)N1"	0	""	""	1	1	"24203808"	NA
"729614"	729614	"6- amino-2-piperdine-1-yl-3h,3'h-spiro(benzothiazol-2,4'..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=N1)N4CCCCC4"	0	""	""	1	1	"24203809"	NA
"729635"	729635	"11-(5'-aminopentylidene)-5,6-dihydro-2,3-dimethoxy-t-met..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	"45027861"	NA
"729644"	729644	"alyssonoside"	"COc1cc(\C=C\C(=O)O[C@@H]2[C@@H](COC3OCC(O)(CO)C3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O"	0	""	""	1	1	"45027864"	"142674768"
"729648"	729648	"myricoside"	"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c4ccc(O)c(O)c4)[C@H](O)[C@H](OC5OC[C@](O)(CO)[C@H]5O)[C@H]1O"	0	""	""	1	1	"45027866"	"76076045"
"729649"	729649	"iso-acteoside"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"	0	""	""	1	1	"6476333"	"61303137"
"729652"	729652	"samioside"	"CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)\C=C\c4ccc(O)c(O)c4)C(O)C(O)C1OC5OCC(O)(CO)C5O"	0	""	""	1	1	"45027867"	NA
"729672"	729672	"n-[4-(1,3-benzoxazol-2-yl)phenyl]-n'-(4-chlorophenyl)imi..."	"Clc1ccc(cc1)\N=C\Nc2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	"24203813"	NA
"729677"	729677	"2-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-thiazol-4(5h)-one"	"O=C1CSC(=N1)c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	"24203819"	NA
"729678"	729678	"5'-amino-1,1',2',3-tetrahydrospiro[benzimidazole-2,3'-py..."	"NC1=NNC2(Nc3ccccc3N2)C1C#N"	0	""	""	1	1	"24203820"	NA
"729680"	729680	"6'-amino-2'-morpholin-4-yl-1'h,3h-spiro[1,3-benzothiazol..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=N1)N4CCOCC4"	0	""	""	1	1	"24203822"	NA
"729775"	729775	"4-aryl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5..."	"COc1cccc(c1)C2NC(=S)NC(=C2C(=O)Nc3ccc(Cl)c(Cl)c3)C"	0	""	""	1	1	"24203839"	NA
"729776"	729776	"N-(3-chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2ccccc2O)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	"24203840"	NA
"729777"	729777	"4-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2ccccc2Cl)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"24203841"	NA
"729778"	729778	"N-(3,4-dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Oc3ccccc3)c2)C(=O)Nc4ccc(Cl)c(Cl)c4"	0	""	""	1	1	"24203842"	NA
"729789"	729789	"4-{[4-(1h-benzo[d]imidazol-2-yl)phenylamino]methylene}-3..."	"CC1=NNC(=O)/C/1=C\Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"135585459"	NA
"729792"	729792	"n-[4-(1h-benzo[d]imidazol-2-yl)phenyl]-n'-(4-chloropheny..."	"Clc1ccc(cc1)\N=C\Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"24203851"	NA
"729797"	729797	"5-({[4-(1,3-benzoxazol-2-yl)phenyl]amino}methylene)pyrim..."	"O=C1NC(=O)C(=CNc2ccc(cc2)c3oc4ccccc4n3)C(=O)N1"	0	""	""	1	1	"135585463"	NA
"729801"	729801	"3-amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-..."	"NC1=NNC(C1C#N)c2oc(cc2)c3ccc(cc3)c4oc5ccccc5n4"	0	""	""	1	1	"24203859"	NA
"729812"	729812	"6-(3-chloropropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-d..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	"44346870"	NA
"729813"	729813	"6-(3-aminopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4cc5OCOc5cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"44418792"	NA
"729831"	729831	"2-{4-[(1e)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1h-benzim..."	"N(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccncc4"	0	""	""	1	1	"24203869"	NA
"729832"	729832	"2-{(2e)-3-[4-(1h-benzimidazol-2-yl)phenyl]-1-(2-hydroxye..."	"OCCN(CCO)N=Nc1ccc(cc1)c2nc3ccccc3[nH]2"	0	""	""	1	1	"24203870"	NA
"729833"	729833	"3-amino-4-{(e)-[4-(1h-benzimidazol-2-yl)phenyl]diazenyl}..."	"Nc1cc(O)ccc1N=Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	"135585466"	NA
"729838"	729838	"3-{(2e)-3-[4-(1h-benzimidazol-2-yl)phenyl]triaz-2-enyl}p..."	"OCCCNN=Nc1ccc(cc1)c2nc3ccccc3[nH]2"	0	""	""	1	1	"24203876"	NA
"729970"	729970	"6-benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-tri..."	"CN(N=Nc1nc(OCc2ccccc2)c3nc[nH]c3n1)C(=O)Oc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	"11408262"	NA
"729972"	729972	"(E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one"	"Clc1cccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1"	0	""	""	1	1	"11045166"	NA
"729974"	729974	"AR-685/43307762"	"COc1cccc(\C=C\C(=O)c2ccc3cc(OC)ccc3c2)c1"	0	""	""	1	1	"7947309"	NA
"729978"	729978	"(E)-3-(2,5-dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc(OC)c(\C=C\C(=O)c2ccc3cc(OC)ccc3c2)c1"	0	""	""	2	1	"24203887"	NA
"729998"	729998	"N-(2-aminophenyl)-4-[1-(methylbenzylamine-4-ylmethyl)vinyl]b enzamide"	"CN(CC(=C)c1ccc(cc1)C(=O)Nc2ccccc2N)Cc3ccccc3"	0	"HDAC"	""	1	1	"11588795"	NA
"729999"	729999	"N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl ]vinyl}benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccn4"	0	"HDAC"	""	1	1	"11711325"	NA
"730001"	730001	"N-(2-aminophenyl)-4-[1-(1,3,4,5-tetrahydro-2H-indeno[1,2-c] pyridin-2-ylmethyl)vinyl]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCc4c(C3)[nH]c5ccccc45"	0	"HDAC"	""	3	2	"11589884"	NA
"730002"	730002	"N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CNCc3ccccc3"	0	"HDAC"	""	1	1	"11588476"	NA
"730003"	730003	"N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(c4)C(F)(F)F"	0	"HDAC"	""	3	2	"11605406"	NA
"730004"	730004	"N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide"	"COc1ccccc1N2CCN(CC(=C)c3ccc(cc3)C(=O)Nc4ccccc4N)CC2"	0	"HDAC"	""	1	1	"11719179"	NA
"730006"	730006	"4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN(CCN3CCOCC3)CC(=C)c4ccc(cc4)C(=O)Nc5ccccc5N"	0	"HDAC"	""	1	1	"24203889"	NA
"730009"	730009	"cis-2,5,6,12,13-pentahydro-6-methyl-(8,9-methylenedioxy)..."	"CN1[C@H]2[C@H](C(=O)c3cc4OCOc4cc23)c5ccc(cc5C1=O)[N+](=O)[O-]"	0	""	""	2	2	"45027874"	NA
"730026"	730026	"n4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine..."	"CCC(CC)c1nc(Nc2cccc(OC)c2)c3ccccc3n1"	0	""	""	1	1	"729549"	NA
"730035"	730035	"6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1h-benzo[d]imidaz..."	"Cn1c(nc2ccccc12)c3c(N)n(Cc4ccc(F)cc4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	"1179229"	NA
"730036"	730036	"6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1h-benzo[d]imidaz..."	"Cn1c(nc2ccccc12)c3c(N)n(Cc4ccc(Cl)cc4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	"1179230"	NA
"730038"	730038	"6-amino-5-(3-chloroanilino)-7-(1-methyl-1h-benzo[d]imida..."	"Cn1c(nc2ccccc12)c3c(N)n(Nc4cccc(Cl)c4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	"1179233"	NA
"730041"	730041	"6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5h-pyrrolo[2..."	"Nc1c(c2nc(C#N)c(nc2n1Cc3ccc(Cl)cc3)C#N)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"1426067"	NA
"730045"	730045	"6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5..."	"COc1ccc(Cn2c(N)c(c3nc(C#N)c(nc23)C#N)S(=O)(=O)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	"1640083"	NA
"730085"	730085	"3-[2-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2C#CCO"	0	""	""	1	1	"24203899"	NA
"730089"	730089	"3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol"	"CCCCCCC#Cc1ccccc1C#CCO"	0	""	""	1	1	"24203903"	NA
"730091"	730091	"2-[(Z)-6-(2-nitrophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2[N+](=O)[O-]"	0	""	""	1	1	"24203905"	NA
"730137"	730137	"N-(4-fluorophenyl)furo[3,2-c]quinolin-4-amine"	"Fc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24203907"	NA
"730138"	730138	"N-(4-chlorophenyl)furo[3,2-c]quinolin-4-amine"	"Clc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24203908"	NA
"730142"	730142	"N-(3-methoxyphenyl)furo[3,2-c]quinolin-4-amine"	"COc1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	"24203912"	NA
"730143"	730143	"N-(4-methoxyphenyl)furo[3,2-c]quinolin-4-amine"	"COc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24203913"	NA
"730144"	730144	"2-(Furo[3,2-c]quinolin-4-ylamino)phenol"	"Oc1ccccc1Nc2nc3ccccc3c4occc24"	0	""	""	1	1	"24203914"	NA
"730145"	730145	"3-(Furo[3,2-c]quinolin-4-ylamino)phenol"	"Oc1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	"24203915"	NA
"730184"	730184	"1,3-dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-{4-[2(..."	"COC(=O)[C@H]1[C@H]2C[C@H](C(C(=O)OC)C1(O)[C@@H](C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)C(C)c4ccc(CC(C)C)cc4)cc3"	0	""	""	1	1	"54717813"	NA
"730188"	730188	"N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	"24203929"	NA
"730198"	730198	"(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one"	"CSC1C(C)\C(=N/Nc2nc3ccccc3s2)\c4ccccc4C1=O"	0	""	""	1	1	"24203938"	NA
"730199"	730199	"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol"	"CSC1=C\C(=N/Nc2nc3ccccc3s2)\c4ccccc4C1=O"	0	""	""	1	1	"135585470"	NA
"730214"	730214	"n6-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3..."	"COc1ccccc1NC(=O)c2sc3N=CN(CCOc4ccccc4)C(=O)c3c2C"	0	""	""	1	1	"1178182"	NA
"730231"	730231	"(2z,6e,10e)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/CC=C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"16738556"	NA
"730232"	730232	"(2z,6e,10e)-3-(methylbut-2-enyl)-7,11,15-trimethylhexade..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/CC=C(C)C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	"16736584"	NA
"730233"	730233	"(2z,6e,10e)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,1..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/C(C)(C)C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	2	2	"11635544"	NA
"730246"	730246	"4-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	"COc1ccc(cc1)c2csc(Nc3cccc(c3)c4csc(C)n4)n2"	0	""	""	2	2	"24203947"	NA
"730247"	730247	"4-(4-chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	"Cc1nc(cs1)c2cccc(Nc3nc(cs3)c4ccc(Cl)cc4)c2"	0	""	""	1	1	"24203948"	NA
"730254"	730254	"N-[4-[2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)c2csc(Nc3ccc(cc3)c4csc(n4)c5ccccc5)n2"	0	""	""	1	1	"24203951"	NA
"730267"	730267	"6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2nc(cn3ccnc23)c4ccc(C)cc4"	0	""	""	1	1	"11771442"	NA
"730269"	730269	"2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2C(F)(F)F"	0	""	""	2	2	"24203959"	NA
"730290"	730290	"2-[(E)-(2-chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccccn3"	0	""	""	1	1	"24203971"	NA
"730294"	730294	"(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3ccncc3)\c2c1"	0	""	""	1	1	"24203974"	NA
"730302"	730302	"(e)-n-(4-(benzo[d]thiazol-2-yl)phenyl)-n'-(3-chloropheny..."	"Clc1cccc(c1)\N=C\Nc2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	"24203981"	NA
"730307"	730307	"5'-amino-2',4'-dihydro-3h-spiro[1,3-benzothiazole-2,3'-p..."	"NC1=NNC2(Nc3ccccc3S2)C1C#N"	0	""	""	1	1	"24203986"	NA
"730323"	730323	"4-(dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)p..."	"CN(C)c1ccc(\C=N\Nc2ccc(cc2)c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	"24204003"	NA
"730326"	730326	"2-amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	"24204006"	NA
"730327"	730327	"N-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide"	"Cc1cn2c(\C=N\NC3=NCCN3)c(nc2s1)c4ccc(Cl)c(c4)[N+](=O)[O-]"	0	""	""	1	1	"24204008"	NA
"730328"	730328	"N-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	"Cc1cn2c(\C=N\Nc3ccccn3)c(nc2s1)c4ccc(Cl)c(c4)[N+](=O)[O-]"	0	""	""	1	1	"24204010"	NA
"730435"	730435	"6-(3'-aminopropyl)-11-[3'-aminopropylidene]5,6-dihydro-2..."	"COc1cc2C(=O)N(CCCN)C3=C(\C(=C\CCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027875"	NA
"730451"	730451	"6-(3-bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11h-ind..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	"17755853"	NA
"730453"	730453	"3-amino-6-(3-chloropropyl)-5,6-dihydro-8,9-methylenediox..."	"Nc1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	1	1	"45027877"	NA
"730460"	730460	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)ccc1OCCCn7ccnc7"	0	""	""	3	2	"24204019"	NA
"730461"	730461	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-1..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCCn6ccnc6"	0	""	""	1	1	"24204020"	NA
"730473"	730473	"16-[3-methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-5-..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCN6CCCCC6"	0	""	""	1	1	"24204032"	NA
"730474"	730474	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC"	0	""	""	1	1	"24204033"	NA
"730475"	730475	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)cc1OC"	0	""	""	1	1	"24204034"	NA
"730476"	730476	"16-[3-methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCN6CCCC6"	0	""	""	1	1	"24204035"	NA
"730477"	730477	"16-[3-methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCN6CCCC6"	0	""	""	1	1	"24204036"	NA
"730478"	730478	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCCn6ccnc6"	0	""	""	1	1	"24204037"	NA
"730479"	730479	"16-[4-{(3-imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCCn6ccnc6"	0	""	""	2	2	"24204038"	NA
"730505"	730505	"Fluoroquinolonr DR"	"COc1ncnc(c1OC)S(=O)(=O)c2ccc(cc2)\N=C\3/C(=O)N(CN4CCN(CC4)c5cc6N(C=C(C(=O)O)C(=O)c6cc5F)C7CC7)c8ccc(Cl)cc38"	0	""	""	1	1	"24204048"	NA
"730507"	730507	"Iqdma"	"CN(C)CCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	3	2	"24204050"	NA
"730508"	730508	"N-(11H-indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine"	"CN(C)CCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	"24204051"	NA
"730509"	730509	"[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol"	"OCNCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	1	1	"24204052"	NA
"730510"	730510	"N-(4-methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine"	"COc1ccc(Nc2c3ccccc3nc4[nH]c5ccccc5c24)cc1"	0	""	""	1	1	"24204053"	NA
"730514"	730514	"6-methyl-5H-indolo[2,3-b]quinolin-11-one"	"Cn1c2Nc3ccccc3C(=O)c2c4ccccc14"	0	""	""	1	1	"12205646"	NA
"730515"	730515	"N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine"	"COc1ccc(Nc2c3ccccc3nc4c2c5ccccc5n4C)cc1"	0	""	""	1	1	"24204057"	NA
"730517"	730517	"(2Z)-2-[[5-methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one"	"Cc1sc(NC2=NC(=O)CS2)nc1c3nc(NC4=NC(=O)CS4)sc3C"	0	""	""	1	1	"135585485"	NA
"730518"	730518	"(5E)-5-benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"O=C1N=C(Nc2nc(cs2)c3csc(NC4=NC(=O)\C(=C/c5ccccc5)\S4)n3)S/C/1=C/c6ccccc6"	0	""	""	1	1	"24204060"	NA
"730519"	730519	"(5E)-5-[(4-methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Cc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(cs3)c4csc(NC5=NC(=O)\C(=C/c6ccc(C)cc6)\S5)n4)cc1"	0	""	""	1	1	"24204061"	NA
"730520"	730520	"(5E)-5-[(4-chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Clc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(cs3)c4csc(NC5=NC(=O)\C(=C/c6ccc(Cl)cc6)\S5)n4)cc1"	0	""	""	1	1	"24204062"	NA
"730522"	730522	"(5E)-5-benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Cc1sc(NC2=NC(=O)\C(=C/c3ccccc3)\S2)nc1c4nc(NC5=NC(=O)\C(=C/c6ccccc6)\S5)sc4C"	0	""	""	2	2	"24204064"	NA
"730523"	730523	"(5E)-2-[[5-methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one"	"Cc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(c(C)s3)c4nc(NC5=NC(=O)\C(=C/c6ccc(C)cc6)\S5)sc4C)cc1"	0	""	""	2	2	"24204065"	NA
"730524"	730524	"(5E)-5-[(4-methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"COc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(c(C)s3)c4nc(NC5=NC(=O)\C(=C/c6ccc(OC)cc6)\S5)sc4C)cc1"	0	""	""	2	2	"24204066"	NA
"730563"	730563	"Miliusane A"	"CC(=CCC\C(=C\[C@H]1OC(=O)CC12C[C@H](O)C=CC2=O)\C)C"	0	""	""	2	1	"24204084"	NA
"730564"	730564	"Miliusane B"	"CO[C@@H]1CC(=O)C2(C[C@@H]1O)CC(=O)O[C@@H]2\C=C(/C)\CCC=C(C)C"	0	""	""	2	2	"24204085"	NA
"730565"	730565	"Miliusate"	"CC(=CCC\C(=C\[C@H]1OC(=O)CC12C[C@H](OC(=O)C)C=CC2=O)\C)C"	0	""	""	2	2	"24204086"	NA
"730586"	730586	"1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	"24204099"	NA
"730590"	730590	"(E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one"	"COc1cccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1"	0	""	""	1	1	"19562945"	NA
"730594"	730594	"3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ncc(C)s3"	0	""	""	1	1	"24204100"	NA
"730601"	730601	"N-[4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide"	"CCC(=O)Nc1ccc(cc1)N2C(=O)\C(=C\c3ccc(OC)cc3)\N=C2c4ccccc4"	0	""	""	1	1	"24204102"	NA
"730607"	730607	"4-amino-1-benzylpiperidine"	"NC1CCN(Cc2ccccc2)CC1"	0	""	""	1	1	"415852"	"50541930"
"730608"	730608	"3-(Diallylaminomethyl)-indole"	"C=CCN(CC=C)Cc1c[nH]c2ccccc12"	0	""	""	1	1	"714712"	"150462354"
"730629"	730629	"{6-(3-tert-butyloxycarbonylamino-1-propyl)-5,6-dihydro-2..."	"COc1cc2C(=O)N(CCCN(CCCN(CCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C7=C(C(=O)c8cc9OCOc9cc78)c2cc1OC"	0	""	""	1	1	"11849828"	NA
"730630"	730630	"5,6-dihydro-6-[(3-triethylammonium)-1-propyl]-5,11-dioxo..."	"CC[N+](CC)(CC)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"11259930"	NA
"730631"	730631	"bis-{(5,6-dihydro-5,11-diketo-11h[1,2-c]isoquinoline)-6-..."	"O=C1N(CCNCCNCCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	"45027878"	NA
"730632"	730632	"{6-(3-amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-meth..."	"COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8cc9OCOc9cc78)c2cc1OC"	0	""	""	2	1	"45027879"	NA
"730661"	730661	"[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate"	"CC(=O)O[C@H]1C[C@@H]2[C@H](O[C@H](O)C2=C)[C@@]3(O)OC4(C=C3C)[C@H]5[C@@H]6[C@H](C[C@]5(C)O)OC(=O)[C@]146"	0	""	""	1	1	"24204112"	NA
"730662"	730662	"Eunicin-cyclo"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2CC3[C@@H](OC(=O)C34CC4)[C@H]1O2)\C"	0	""	""	1	1	"24204113"	NA
"730664"	730664	"Eunicin-cyclobilactone"	"C[C@H](CCCC(=O)C)[C@@H]1O[C@@H](CC2[C@H]1OC(=O)C23CC3)[C@@]4(C)CCC(=O)O4"	0	""	""	1	1	"9976935"	NA
"730665"	730665	"Eunicin-alkene"	"C\C=C/1\C2C[C@@H]3O[C@@H]([C@H](C)CCC\C(=C\CC[C@@]3(C)O)\C)[C@@H]2OC1=O"	0	""	""	1	1	"24204115"	NA
"730690"	730690	"N-Phenethyltriphenylacetamide"	"O=C(NCCc1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	"11349856"	NA
"730691"	730691	"N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide"	"COc1cccc(CCNC(=O)CC(c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	""	""	1	1	"11453337"	NA
"730708"	730708	"2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol"	"COc1ccc(Nc2nnc(s2)c3cc(O)ccc3O)cc1"	0	""	""	1	1	"135585492"	NA
"730711"	730711	"2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone"	"Cc1nn(c(C)c1CC(=O)c2cc(O)ccc2O)c3ccc(Br)cc3"	0	""	""	1	1	"24204134"	NA
"730735"	730735	"1-[(4,5-dihydro-1h-imidazol-2-yloxy)amino]-4-methylcyclo..."	"CC1CCC(CC1)(NOC2=NCCN2)C#N"	0	""	""	1	1	"11148771"	NA
"730736"	730736	"1-[(4,5-dihydro-1h-imidazol-2-yloxy)amino]-3-methylcyclo..."	"CC1CCCC(C1)(NOC2=NCCN2)C#N"	0	""	""	1	1	"11736196"	NA
"730813"	730813	"Pulcherrimin E"	"CO[C@H]1[C@@H](OC(=O)c2ccccc2)[C@]3(O)[C@](C)(CC[C@H](OC(=O)c4ccccc4)[C@]3(C)C(=O)O)[C@H]5Cc6occc6[C@H](C)[C@H]15"	0	""	""	1	1	"24204173"	NA
"730815"	730815	"Neocaesalpin G"	"CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(=O)\C=C\c4ccccc4)[C@@]5(O)C(C)(C)CCC[C@]35C"	0	""	""	1	1	"11295185"	NA
"730868"	730868	"(+)-(2r,3r)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-..."	"OC[C@H]1O[C@@H]1C#CC#CC2=CC=CC(=O)O2"	0	""	""	2	2	"11816756"	NA
"730870"	730870	"bis-{(5,6-dihydro-5,11-diketo-11h-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	1	"45027880"	NA
"730874"	730874	"hydrazone"	"Cc1ccc(cc1)C(=O)N\N=C\2/C(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	"5158729"	NA
"730919"	730919	"1,2,3,7,8-pentamethoxy-11h-indeno[1,2-c]isoquinoline hyd..."	"COc1cc2Cc3c(ncc4c(OC)c(OC)c(OC)cc34)c2cc1OC"	0	""	""	1	1	"11235079"	NA
"730920"	730920	"2,3-methylenedioxy-7,8-methylenedioxy-11h-indeno[1,2-c]i..."	"C1Oc2cc3Cc4c(ncc5cc6OCOc6cc45)c3cc2O1"	0	""	""	3	2	"11427824"	NA
"730921"	730921	"1,2,3-trimethoxy-7,8-methylenedioxy-11h-indeno[1,2-c]iso..."	"COc1cc2c3Cc4cc5OCOc5cc4c3ncc2c(OC)c1OC"	0	""	""	1	1	"11188373"	NA
"730922"	730922	"2,3,4-trimethoxy-7,8-methylenedioxy-11h-indeno[1,2-c]iso..."	"COc1cc2cnc3c(Cc4cc5OCOc5cc34)c2c(OC)c1OC"	0	""	""	2	2	"11315214"	NA
"730923"	730923	"1,4-dimethoxy-7,8-methylenedioxy-11h-indeno[1,2-c]isoqui..."	"COc1ccc(OC)c2c3Cc4cc5OCOc5cc4c3ncc12"	0	""	""	1	1	"11382758"	NA
"730924"	730924	"2,3,4,7,8,9-hexamethoxy-11h-indeno[1,2-c]isoquinoline hy..."	"COc1cc2Cc3c(ncc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC"	0	""	""	1	1	"11373887"	NA
"730925"	730925	"2,3,4,7,8-pentamethoxy-11h-indeno[1,2-c]isoquinoline hyd..."	"COc1cc2Cc3c(ncc4cc(OC)c(OC)c(OC)c34)c2cc1OC"	0	""	""	1	1	"11246677"	NA
"730926"	730926	"1,4,7,8-tetramethoxy-11h-indeno[1,2-c]isoquinoline hydry..."	"COc1cc2Cc3c(ncc4c(OC)ccc(OC)c34)c2cc1OC"	0	""	""	1	1	"11749136"	NA
"730927"	730927	"7,8,9-trimethoxy-2,3-methylenedioxy-11h-indeno[1,2-c]iso..."	"COc1cc2Cc3c(ncc4cc5OCOc5cc34)c2c(OC)c1OC"	0	""	""	1	1	"11303773"	NA
"730933"	730933	"3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione"	"Cc1c(c2ccnc(N)n2)c3C(=O)c4ccccc4C(=O)c3n1Cc5ccccc5"	0	""	""	1	1	"54612650"	NA
"730934"	730934	"3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione"	"Cc1c(c2ccnc(N)n2)c3C(=O)c4ccccc4C(=O)c3n1c5ccccc5"	0	""	""	1	1	"54612651"	NA
"730944"	730944	"3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one"	"COc1ccc(cc1)C#CC2=C(Br)C(=O)OC2"	0	""	""	1	1	"24204187"	NA
"730946"	730946	"4-(2-(4-methoxyphenyl)ethynyl)-3-(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1)C#CC2=C(C(=O)OC2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"24204189"	NA
"730973"	730973	"7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol"	"OCC#CCCCCOCC#Cc1ccccc1C#CCOCCCCC#CCO"	0	""	""	1	1	"24204212"	NA
"730999"	730999	"Epi-dehydroabietic acid"	"CC(C)c1ccc2c(CC[C@@H]3[C@](C)(CCC[C@]23C)C(=O)O)c1"	0	""	""	1	1	"1761729"	"2984045"
"731013"	731013	"3,3'-di(5,5'-dimethoxyindolyl)methane"	"COc1ccc2[nH]cc(Cc3c[nH]c4ccc(OC)cc34)c2c1"	0	""	""	1	1	"9944370"	NA
"731014"	731014	"3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol"	"OCC#Cc1ccccc1C#Cc2ccc(cc2)C#Cc3ccccc3"	0	""	""	1	1	"24204228"	NA
"731015"	731015	"methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC34C[C@@H](C=CO3)[C@@H](C)CC24O"	0	""	""	1	1	"24204229"	NA
"731022"	731022	"1-[(4R,6S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone"	"CC(=O)[C@@]12O[C@@H]1CC3C4CCC5=CC(O)CCC5(C)C4CCC23C"	0	""	""	1	1	"24204235"	NA
"731057"	731057	"5-[(4-trifluoromethylthio)benzyliden]-2(4-methoxy)phenyl..."	"CCCN1\C(=N\c2ccc(OC)cc2)\S\C(=C/c3ccc(SC(F)(F)F)cc3)\C1=O"	0	""	""	1	1	"24204241"	NA
"731093"	731093	"isatin dr"	"COc1c(N2CCN(CN3C(=O)C(=O)c4cc(Cl)ccc34)C(C)C2)c(F)cc5C(=O)C(=CN(C6CC6)c15)C(=O)O"	0	""	""	1	1	"24204246"	NA
"731094"	731094	"isatin dr"	"COc1c(N2CCN(CN3C(=O)\C(=N/c4ccc(cc4)S(=O)(=O)Nc5ncccn5)\c6ccccc36)C(C)C2)c(F)cc7C(=O)C(=CN(C8CC8)c17)C(=O)O"	0	""	""	1	1	"15954458"	NA
"731097"	731097	"2aryl benimidazole"	"Nc1ccc(c(O)c1)c2nc3ccccc3[nH]2"	0	""	""	1	1	"135578129"	NA
"731098"	731098	"6-aryl alkyl fluoro quinolone derivative"	"COc1ncnc(NS(=O)(=O)c2ccc(cc2)\N=C\3/C(=O)N(CN4CCN(CC4C)c5c(F)cc6C(=O)C(=CN(C7CC7)c6c5OC)C(=O)O)c8ccc(Br)cc38)c1OC"	0	""	""	1	1	"11643654"	NA
"731099"	731099	"6-aryl alkyl fluoro quinolone derivative"	"COc1c(N2CCN(CN3C(=O)\C(=N/NC(=O)c4ccncc4)\c5cc(F)ccc35)C(C)C2)c(F)cc6C(=O)C(=CN(C7CC7)c16)C(=O)O"	0	""	""	1	1	"135465400"	NA
"731103"	731103	"6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Clc1ccc(cc1)c2nc(cn3ccnc23)c4ccccc4"	0	""	""	1	1	"11243686"	NA
"731104"	731104	"6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Cc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	3	2	"11336170"	NA
"731105"	731105	"6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	1	1	"11484463"	NA
"731106"	731106	"6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Clc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	1	1	"11371203"	NA
"731128"	731128	"2[4-(Fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(Oc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	"24204258"	NA
"731129"	731129	"2-[3,4,5(trimethoxy)benzylamino]-3-phenyl-5,7-diamino qu..."	"COc1cc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	"24204259"	NA
"731130"	731130	"2-[4-(Fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(Nc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	"24204260"	NA
"731131"	731131	"2-[4-(Fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(NCc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	"24204261"	NA
"731153"	731153	"6-(3-azidopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11h-ind..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	"17755021"	NA
"731154"	731154	"6-(3-chloropropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11h-in..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	"17755848"	NA
"731155"	731155	"6-(3-aminopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11h-ind..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"17756085"	NA
"731162"	731162	"4-{[2-ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino..."	"CCOC1Oc2ccc(C)cc2C(=O)/C/1=C\Nc3ccc(cc3)S(=O)(=O)N"	0	""	""	1	1	"24204276"	NA
"731164"	731164	"2-[3-amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-b..."	"COC(=O)c1cc2oc(\C=C\3/SC(=S)N(NC(=O)C)C3=O)cc2n1Cc4ccccc4"	0	""	""	1	1	"24204277"	NA
"731166"	731166	"tert-butyl 3-[(anilinocarbothioyl)amino]methyl-1h-1-indo..."	"CC(C)(C)OC(=O)n1cc(CNC(=S)Nc2ccccc2)c3ccccc13"	0	""	""	1	1	"24204278"	NA
"731178"	731178	"beta-n-ribofuranosylbenzocamalexin, 2-(3-benzothiazol-2-..."	"OCC1OC(C(O)C1O)N2C=C(C3C=CC=CC23)c4nc5ccccc5s4"	0	""	""	1	1	"24204284"	NA
"731197"	731197	"2-carboxy-(2?-furyl)-6(7)-methyl-3-trifluoromethylquinox..."	"Cc1ccc2c(c1)[n+]([O-])c(c(C(=O)c3occc3)[n+]2[O-])C(F)(F)F"	0	""	""	2	2	"24204285"	NA
"731198"	731198	"2-carboxy-(2?-furyl)-7-methoxy-3-trifluoromethylquinoxal..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)c3occc3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	"23635645"	NA
"731201"	731201	"ethyl 6,7-dichloro-3-phenyl-2-quinoxalincarboxylate 1,4-..."	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	"24204287"	NA
"731203"	731203	"Ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide"	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3ccc(Cl)cc3[n+]1[O-]"	0	""	""	1	1	"24204289"	NA
"731204"	731204	"ethyl 6,7-difluor-3-phenyl-2-quinoxalincarboxylate 1,4-d..."	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	"24204290"	NA
"731283"	731283	"(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine"	"C\C(=N/O)\[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)\C(=N\O)\CC[C@@]45CC35CC[C@]12C"	0	""	""	1	1	"24204297"	NA
"731291"	731291	"9-isobutyl-8-methyl-3,4-dioxo-3,4-dihydro-9h-5-oxa-1,2a,..."	"CCOC(=O)c1c(C)n(CC(C)C)c2c1cc3OC(=O)C(=O)n4cnc2c34"	0	""	""	1	1	"24204305"	NA
"731292"	731292	"9-benzyl-8-methyl-3,4-dioxo-3,4-dihydro-9h-5-oxa-1,2a,9-..."	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc4OC(=O)C(=O)n5cnc3c45"	0	""	""	1	1	"24204306"	NA
"731294"	731294	"Yieldene malononitrile"	"Fc1ccc2OCCC(=C(C#N)C#N)c2c1"	0	""	""	1	1	"11528605"	NA
"731299"	731299	"3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one"	"ClC1=NN=C2Sc3ccccc3N2C1=O"	0	""	""	1	1	"826953"	NA
"731356"	731356	"2 -amino-6-(ethylthio)-4-(furan-2-yl)pyridine-3,5-dicarb..."	"CCSc1nc(N)c(C#N)c(c2occc2)c1C#N"	0	""	""	1	1	"745534"	NA
"731358"	731358	"7-(benzylthio)-5-(furan-2-yl)-1,2,3,4-tetrahydro-2,4-dit..."	"S=C1NC(=S)c2c(N1)nc(SCc3ccccc3)c(C#N)c2c4occc4"	0	""	""	1	1	"24204316"	NA
"731362"	731362	"2,4,7-tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-..."	"CCSc1nc(SCC)c2c(c3ccc(OC)c(OC)c3)c(C#N)c(SCC)nc2n1"	0	""	""	1	1	"24204320"	NA
"731388"	731388	"2-benzylthio-4-chloro-5-cyano-n-(5,6-diphenyl-1,2,4-tria..."	"Clc1cc(SCc2ccccc2)c(cc1C#N)S(=O)(=O)Nc3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	1	1	"11169080"	NA
"731392"	731392	"6-chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfo..."	"Cc1cc2c(S\C(=N/c3ccc(Cl)cc3)\N(S(=O)(=O)c4ccccc4)S2(=O)=O)cc1Cl"	0	""	""	1	1	"24204334"	NA
"731393"	731393	"2-(5-bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophen..."	"Cc1cc2c(S\C(=N/c3ccc(Cl)cc3)\N(S(=O)(=O)c4ccc(Br)s4)S2(=O)=O)cc1Cl"	0	""	""	1	1	"24204335"	NA
"731397"	731397	"2-benzylthio-4-chloro-5-methyl-n-(1,3-benzoxazol-2-yl)be..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)Nc3oc4ccccc4n3"	0	""	""	1	1	"16092421"	NA
"731399"	731399	"2-benzylthio-4-chloro-5-methyl-n-(2,3-dihydro-1h-benzimi..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)N=C3Nc4ccccc4N3"	0	""	""	1	1	"16092413"	NA
"731402"	731402	"2-acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,1-dioxo..."	"COc1ccc(cc1)C2=CSc3cc(Cl)c(C)cc3S(=O)(=O)N2C(=O)C"	0	""	""	1	1	"24204341"	NA
"731406"	731406	"arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(cc3)c4ccc(CCl)cc4)c2n1"	0	""	""	1	1	"24204344"	NA
"731408"	731408	"6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine"	"ClCc1ccc(cc1)c2ccc(Cn3cnc4c(Cl)ncnc34)cc2"	0	""	""	1	1	"24204346"	NA
"731409"	731409	"6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine"	"ClCc1ccc(Cn2cnc3c(Cl)ncnc23)cc1"	0	""	""	3	2	"24204347"	NA
"731435"	731435	"pancracine"	"O[C@H]1C[C@@H]2CN3C[C@H](C2=C[C@@H]1O)c4cc5OCOc5cc34"	0	""	""	1	1	"24204350"	NA
"731527"	731527	"cyanoaminopyranopyridine derivatives"	"COc1ccc(cc1OC)c2c3COc4ccc(F)cc4c3nc(N)c2C#N"	0	""	""	1	1	"11494577"	NA
"731543"	731543	"6-(3-azidopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di..."	"[N-]=[N+]=NCCCN1C(=O)c2ccccc2C3=C1c4cc5OCOc5cc4C3=O"	0	""	""	1	1	"11280256"	NA
"731589"	731589	"5-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol"	"COc1cc(\C=C\c2cc(O)c(C\C=C(/C)\CC\C=C(/C)\CO)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	""	""	3	3	"24204369"	NA
"731615"	731615	"trans-n-{4-[n'-(4-chlorophenyl)hydrazinocarbonyl]cyclohe..."	"Clc1ccc(NNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3Cl)CC2)cc1"	0	""	""	1	1	"24204371"	NA
"731621"	731621	"trans-n-{4-[n'-(4-fluorophenyl)hydrazinocarbonyl]cyclohe..."	"Fc1ccc(NNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1"	0	""	""	1	1	"24204377"	NA
"731647"	731647	"2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine"	"C(=C/C#Cc1cnccn1)/C#Cc2cnccn2"	0	""	""	1	1	"11436194"	NA
"731654"	731654	"mannich bases"	"COc1cc(Cc2cnc(\N=C\3/C(=O)N(CN4CCN(CC4C)c5c(F)cc6C(=O)C(=CN(C7CC7)c6c5OC)C(=O)O)c8ccc(F)cc38)nc2N)cc(OC)c1OC"	0	""	""	1	1	"9567684"	NA
"731698"	731698	"1-[(4-methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-..."	"COC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	"11646385"	NA
"731699"	731699	"1-[(4-n-propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-..."	"CCCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	"11502167"	NA
"731700"	731700	"1[(4-benzyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2..."	"[O-][N+](=O)c1ccc(ON=[N+]([O-])N2CCN(CC2)C(=O)OCc3ccccc3)c(c1)[N+](=O)[O-]"	0	""	""	1	1	"11626484"	NA
"731701"	731701	"1[(4-n-butyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,..."	"CCCCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	"11495269"	NA
"731703"	731703	"(o2-[2,4-dinitro-5-(n-methyl-n-4-carboxyphenylamino)phen..."	"CN(C)[N+](=NOc1cc(N(C)c2ccc(cc2)C(=O)O)c(cc1[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	"11154356"	NA
"731704"	731704	"1-[4-ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2..."	"CCOC(=O)N1CCCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	"11567470"	NA
"731706"	731706	"(o2-[2,4-dinitro-5-(n-3-caboethoxyphenylamino)phenyl 1-n..."	"CN(C)[N+](=NOc1cc(Nc2cccc(c2)C(=O)O)c(cc1[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	"11509692"	NA
"731721"	731721	"diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanep..."	"CCOP(=O)(OCC)C(NC(c1ccccc1)c2ccccc2)c3cccc4ccccc34"	0	""	""	1	1	"24204395"	NA
"731726"	731726	"4-trifluoromethyl-benzoic acid n-[1-biphenyl-4-sulfonyl)..."	"FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)c3ccc(cc3)c4ccccc4"	0	""	""	1	1	"24204399"	NA
"731745"	731745	"4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide"	"Cc1ccc(cc1)c2cc(C3=CC(=O)C=CC3=O)n(n2)c4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	"24204410"	NA
"731748"	731748	"4-[3-(4-Chlorophenyl)-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pyrazol-1-yl]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CC(=O)C=CC3=O)c4ccc(Cl)cc4"	0	""	""	1	1	"24204413"	NA
"731803"	731803	"3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	"24204419"	NA
"731805"	731805	"4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)c4ccc(Cl)cc4"	0	""	""	1	1	"24204421"	NA
"731806"	731806	"N-[4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccccc4"	0	""	""	1	1	"24204422"	NA
"731807"	731807	"N-[4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccc(Cl)cc4"	0	""	""	1	1	"24204423"	NA
"731809"	731809	"2-(2,5-Diphenylpyrazol-3-yl)benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cc(nn2c3ccccc3)c4ccccc4"	0	""	""	1	1	"135585506"	NA
"731812"	731812	"2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cc(nn2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	"135585509"	NA
"731814"	731814	"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide"	"CC(=O)NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cc(O)ccc3O)c4ccc(Cl)cc4"	0	""	""	1	1	"135585511"	NA
"731819"	731819	"(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"COc1cccc(OC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c1"	0	""	""	1	1	"11682519"	NA
"731820"	731820	"(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccc(Cl)cc3Cl)ccn1"	0	""	""	1	1	"11546395"	NA
"731821"	731821	"(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccc(Cl)cc3)ccn1"	0	""	""	1	1	"11682621"	NA
"731822"	731822	"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccccc3Cl)ccn1"	0	""	""	2	2	"11292294"	NA
"731823"	731823	"(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3cccc(Cl)c3)ccn1"	0	""	""	1	1	"11545634"	NA
"731824"	731824	"(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3c(Cl)cc(Cl)cc3Cl)ccn1"	0	""	""	1	1	"11648315"	NA
"731862"	731862	"1,3-dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-..."	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)[C@@H](C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C=C\c4occc4)cc3"	0	""	""	1	1	"54717815"	NA
"731864"	731864	"1,3-dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(2-..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)C(Cc4ccccc4)NC(=O)C)cc3"	0	""	""	1	1	"54717817"	NA
"731921"	731921	"Calendulaglycoside D2"	"CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CCC34C)C2C1)C(=O)OC7OC(CO)C(O)C(O)C7O"	0	""	""	1	1	"24204446"	NA
"731928"	731928	"haterumalide na methyl esters"	"COC(=O)C\C(=C\[C@@H](O)[C@H]1O[C@@H]2CC\C(=C\C\C=C(\C)/[C@@H](CC(=O)O[C@@H]1C2)OC(=O)C)\Cl)\C"	0	""	""	1	1	"24204452"	"634606692"
"731929"	731929	"Haterumalide ring system"	"CC(=O)O[C@@H]1CC(=O)O[C@@H]2C[C@@H](CC\C(=C\C\C=C/1\C)\Cl)O[C@@H]2CO"	0	""	""	2	1	"24204453"	NA
"731981"	731981	"5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl n-me..."	"CN(CCCCCl)P(=O)(OCC1OC(N2C=CC(=NC2=O)N)C(F)(F)C1O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"24204454"	NA
"731987"	731987	"1-(4-{[5-(2-hydroxy-phenyl)-2-thiox o-[1,3,4]oxadiazol-3..."	"CC(=O)c1ccc(NCN2N=C(OC2=S)c3ccccc3O)cc1"	0	""	""	1	1	"135585516"	NA
"731989"	731989	"3-[(4-chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-..."	"Oc1ccccc1C2=NN(CNc3ccc(Cl)cc3)C(=S)O2"	0	""	""	1	1	"135585518"	NA
"731990"	731990	"3-[(3-chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-..."	"Oc1ccccc1C2=NN(CNc3cccc(Cl)c3)C(=S)O2"	0	""	""	1	1	"3072664"	NA
"731991"	731991	"2-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad..."	"OC(=O)c1ccccc1NCN2N=C(OC2=S)c3ccccc3O"	0	""	""	1	1	"135585519"	NA
"731992"	731992	"4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad..."	"OC(=O)c1ccc(NCN2N=C(OC2=S)c3ccccc3O)cc1"	0	""	""	1	1	"135585520"	NA
"732001"	732001	"ethyl-1-amino-5-{[1-methyl-5-nitro-1h-indol-2-yl) carbon..."	"CCOC(=O)c1cc2cc(NC(=O)c3cc4cc(ccc4n3C)[N+](=O)[O-])ccc2n1C"	0	""	""	1	1	"24204472"	NA
"732004"	732004	"methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carbox..."	"COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n(C)c3)cn2C)cn1C"	0	""	""	1	1	"24204476"	NA
"732011"	732011	"SR16157"	"CCN(CC)CCOCC[C@H]1CC[C@H]2[C@@H]3[C@H](C)Cc4cc(OS(=O)(=O)N)ccc4[C@H]3CC[C@]12C"	0	"Ho"	"Clinical trial"	2	2	"24202898"	NA
"732061"	732061	"(1S,4S,6S,9E,13R,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC[C@]3(C)O[C@H]3CC1)C(=C)C(=O)O2"	0	""	""	1	1	"24204492"	NA
"732087"	732087	"n/a."	"ClCc1ccc(Cn2cnc3ncnc(Cl)c23)cc1"	0	""	""	1	1	"24204506"	NA
"732090"	732090	"6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine"	"Cc1cc(C)c(Cn2cnc3c(Cl)ncnc23)c(C)c1CCl"	0	""	""	1	1	"24204509"	NA
"732109"	732109	"5-bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid..."	"COC(=O)c1oc2c(O)c(OC)c(Br)cc2c1C"	0	""	""	1	1	"24204520"	NA
"732112"	732112	"6-(o-ethyl-2?-diethylamino)-7-(p-methoxycinnamoyl)-3-met..."	"CCN(CC)CCOc1ccc2c(C)c(oc2c1C(=O)\C=C\c3ccc(OC)cc3)C(=O)OC"	0	""	""	2	2	"24204523"	NA
"732113"	732113	"6-acetyl-5-(o-ethyl-2?-diethylamino)-2-methyl-benzofuran..."	"CCN(CC)CCOc1cc2c(C(=O)OC)c(C)oc2cc1C(=O)C"	0	""	""	1	1	"24204525"	NA
"732114"	732114	"5-bromo-7-(o-ethyl-2?-diethylamino)-6-methoxy-benzofuran..."	"CCN(CC)CCOc1c(OC)c(Br)cc2c(C)c(oc12)C(=O)OC"	0	""	""	1	1	"24204526"	NA
"732122"	732122	"2-[3-(benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-al..."	"COc1ccc(cc1)\C(=C/C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	1	1	"5715272"	NA
"732175"	732175	"2-[(E)-(6-thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cccs3"	0	""	""	1	1	"24204543"	NA
"732176"	732176	"2-[(E)-(6-thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccsc3"	0	""	""	1	1	"24204545"	NA
"732177"	732177	"2-[(E)-[6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cc(Cl)sc3Cl"	0	""	""	1	1	"24204547"	NA
"732178"	732178	"2-[(E)-(2-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccs3"	0	""	""	1	1	"24204549"	NA
"732179"	732179	"2-[(E)-(2-methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccsc3"	0	""	""	1	1	"24204551"	NA
"732181"	732181	"2-[(E)-[6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(Cl)sc3Cl"	0	""	""	1	1	"24204555"	NA
"732183"	732183	"N-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\NC4=NCCN4)[N+](=O)[O-]"	0	""	""	2	2	"24204559"	NA
"732185"	732185	"N-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\Nc4ccccn4)[N+](=O)[O-]"	0	""	""	1	1	"24204563"	NA
"732187"	732187	"(3E)-4-chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)n(C)c2cc1C"	0	""	""	1	1	"16735298"	NA
"732188"	732188	"2-[(Z)-(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride"	"COc1cc2c(\C=N/NC(=N)N)c(Cl)[nH]c2cc1C"	0	""	""	1	1	"135585534"	NA
"732191"	732191	"(3E)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C/3\C(=O)Nc4ccccc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	"24204572"	NA
"732192"	732192	"(3E)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccccc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	"24204573"	NA
"732197"	732197	"2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cn3CCSc3n2"	0	""	""	1	1	"10585764"	NA
"732200"	732200	"4-(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)phenol"	"Oc1ccc(cc1)c2cn3cc(Cl)sc3n2"	0	""	""	1	1	"472921"	NA
"732205"	732205	"2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cn3ccsc3n2"	0	""	""	1	1	"10775929"	NA
"732217"	732217	"1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol"	"CCCCCCCCCCCCC(O)c1oc(cc1)C#CCCCCCCCCCO"	0	""	""	1	1	"17754962"	NA
"732226"	732226	"1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-d-ribosyl..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)n2cnc(C(=O)N)c2C#C)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"24204578"	NA
"732248"	732248	"3-phenyl(imidazolidinil-1)methano"	"C(N1CCN(C1)c2ccccc2)N3CCN(C3)c4ccccc4"	0	""	""	1	1	"6482345"	NA
"732250"	732250	"3-[4-methoxyphenyl(imidazolidinil-1)]methane"	"COc1ccc(cc1)N2CCN(CN3CCN(C3)c4ccc(OC)cc4)C2"	0	""	""	1	1	"6482347"	NA
"732252"	732252	"4-{[2-ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino..."	"CCOC1Oc2ccc(C)cc2C(=O)/C/1=C\Nc3ccc(cc3)C(=O)N"	0	""	""	1	1	"24204580"	NA
"732256"	732256	"methoxybrassenin b 1-methoxy-1h-indole-3-carboxylic acid..."	"COn1cc(C(=O)N=C(SC)SC)c2ccccc12"	0	""	""	1	1	"15145690"	"142449750"
"732277"	732277	"methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate"	"COC(=O)c1cc2cc(oc2n1Cc3ccccc3)\C=C/4\SC(=S)N(N(C(=O)C)C(=O)C)C4=O"	0	""	""	1	1	"24204592"	NA
"732287"	732287	"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N)C(F)(F)F"	0	""	""	1	1	"24204601"	NA
"732298"	732298	"4,7-epoxyisobenzofuran-1(3h)-one, hexahydro-3-hydroxy-, ..."	"OC1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12"	0	""	""	3	3	"24204611"	"255839362"
"732299"	732299	"(1R,2S,6R,7S)-5-ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one"	"CCOC1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12"	0	""	""	2	1	"24204612"	NA
"732317"	732317	"6,7-dichloro-2-methyl-3-(phenylthio)quinoxaline 1,4-dioxide"	"Cc1c(Sc2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	"10338132"	NA
"732327"	732327	"[6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid ..."	"Brc1ccc(cc1)c2cn3c(CC(=O)N\N=C\c4ccccc4)csc3n2"	0	""	""	1	1	"16126511"	NA
"732329"	732329	"[6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid ..."	"Oc1ccc(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)cc1"	0	""	""	1	1	"135540940"	NA
"732332"	732332	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"Clc1ccc(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)c(Cl)c1"	0	""	""	1	1	"16126471"	NA
"732334"	732334	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"COc1ccc(OC)c(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)c1"	0	""	""	1	1	"16126515"	NA
"732335"	732335	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"Oc1ccccc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4"	0	""	""	1	1	"135540939"	NA
"732336"	732336	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"Oc1ccc(Br)cc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4"	0	""	""	1	1	"135585540"	NA
"732390"	732390	"4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(Cc4ccccc34)C2c5cccs5"	0	""	""	1	1	"24204638"	NA
"732393"	732393	"1-phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea"	"O=S(=O)(NC(=S)Nc1ccccc1)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6"	0	""	""	1	1	"24204641"	NA
"732394"	732394	"N-[[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	"O=C(NC(=S)NS(=O)(=O)c1ccc(cc1)N2N=C3C(Cc4ccccc34)C2c5cccs5)c6ccccc6"	0	""	""	1	1	"24204642"	NA
"732401"	732401	"(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=S(=O)(\N=C/1\SC=C(N1c2ccccc2)c3ccccc3)c4ccc(cc4)N5N=C6C(Cc7ccccc67)C5c8cccs8"	0	""	""	1	1	"24204649"	NA
"732402"	732402	"(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C1CS\C(=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)\N(C1)c7ccccc7"	0	""	""	1	1	"24204650"	NA
"732404"	732404	"(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C(N1\C(=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)\SC=C1c7ccccc7)c8ccccc8"	0	""	""	1	1	"24204652"	NA
"732405"	732405	"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C(N1C(=O)CCS/C/1=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)c7ccccc7"	0	""	""	1	1	"24204653"	NA
"732416"	732416	"4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc3c(Cc4ccccc34)c2c5cccs5"	0	""	""	1	1	"24204664"	NA
"732417"	732417	"1-phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	"O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)n3nc4c(Cc5ccccc45)c3c6cccs6"	0	""	""	1	1	"24204665"	NA
"732423"	732423	"5-Aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione"	"Cn1cc(CO)c2C(=O)C(=CC(=O)c12)N3CC3"	0	""	""	2	2	"10105331"	NA
"732424"	732424	"23-(hydroxymethyl)-5-(2-methylaziridin-1-yl)-1-methylind..."	"CC1CN1C2=CC(=O)c3c(C2=O)c(CO)cn3C"	0	""	""	2	2	"10610417"	NA
"732425"	732425	"Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate"	"CCOC(=O)n1cc(C(CC=C)NCc2ccccc2)c3ccccc13"	0	""	""	1	1	"16721048"	NA
"732427"	732427	"ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate"	"CCOC(=O)n1cc(C(CC=C)N[C@H](CO)c2ccccc2)c3ccccc13"	0	""	""	1	1	"24204667"	NA
"732429"	732429	"(2S)-2-[1-[1-(4-methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(CC=C)N[C@H](CO)c3ccccc3)c4ccccc24"	0	""	""	1	1	"24204669"	NA
"732430"	732430	"5[2-(3,4-dimethoxyphenyl)ethyl]-9-hydroxy-5h-indeno[1,2-..."	"COc1ccc(CCn2c3c4ccccc4C(=O)c3c5c(O)cccc25)cc1OC"	0	""	""	2	1	"24204670"	NA
"732490"	732490	"N-[2-(dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide"	"CN(C)CCNC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24204686"	NA
"732491"	732491	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide"	"OCCNCCNC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24204687"	NA
"732492"	732492	"4-(furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide"	"O=C(NCCN1CCNCC1)c2ccc(Nc3nc4ccccc4c5occc35)cc2"	0	""	""	1	1	"24204688"	NA
"732493"	732493	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide"	"CCCCCC[C@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24204689"	NA
"732494"	732494	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide"	"CCCCCC[C@@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	"24204690"	NA
"732495"	732495	"N-[(2S)-octan-2-yl]furo[3,2-c]quinolin-4-amine"	"CCCCCC[C@H](C)Nc1nc2ccccc2c3occc13"	0	""	""	1	1	"24204691"	NA
"732496"	732496	"N-[(2R)-octan-2-yl]furo[3,2-c]quinolin-4-amine"	"CCCCCC[C@@H](C)Nc1nc2ccccc2c3occc13"	0	""	""	1	1	"24204692"	NA
"732497"	732497	"Indolizino[2,3-b]quinoxaline"	"c1ccc2nc3c(cc4ccccn34)nc2c1"	0	""	""	1	1	"24204693"	NA
"732504"	732504	"3-(dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide"	"CN(C)CCC(=O)NCc1c2nc3ccccc3nc2n4ccccc14"	0	""	""	1	1	"24204700"	NA
"732507"	732507	"6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"COc1cccc(c1)\N=C/C2=C3Oc4ccccc4N3C(=O)c5ccccc25"	0	""	""	1	1	"24204703"	NA
"732508"	732508	"6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"CC(O)c1cccc(NCC2=C3Oc4ccccc4N3C(=O)c5ccccc25)c1"	0	""	""	1	1	"24204704"	NA
"732517"	732517	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	"BCR-ABL|PK:YK,PDGFR,KIT"	"FDA approved"	6	6	"-1"	"863127779"
"732534"	732534	"phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]..."	"CC1(C)OB(OC1(C)C)c2ccc(cc2)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	2	2	"60147484"	NA
"732545"	732545	"(E)-4-(4-chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one"	"FC(F)(F)C(=O)\C=C\N(CC(=O)c1ccccc1)c2ccc(Cl)cc2"	0	""	""	1	1	"24204717"	NA
"732549"	732549	"4-[(4-chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid"	"OC(=O)c1ccc(cc1)N(Cc2ccc(Cl)cc2)\C=C\C(=O)C(F)(F)F"	0	""	""	1	1	"24204721"	NA
"732562"	732562	"3-(5-amino -[1, 3, 4] thiadiazole - 2-yl methyl) -6-brom..."	"Nc1nnc(CN2C(=O)c3cc(Br)ccc3N=C2c4ccccc4)s1"	0	""	""	1	1	"24204727"	NA
"732563"	732563	"4-amino - 7 - (2,5- dichloro-phenyl)-5(4'-methoxy phenyl..."	"COc1ccc(cc1)c2cc(nc3NC(=S)N=C(N)c23)c4cc(Cl)ccc4Cl"	0	""	""	1	1	"24204728"	NA
"732566"	732566	"2-(2,4-dichloro - 5- fluoro - phenyl ) - 7 - (2,5 - dich..."	"COc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4cc(F)c(Cl)cc4Cl)c5cc(Cl)ccc5Cl"	0	""	""	1	1	"24204731"	NA
"732567"	732567	"6,8-dibromo-2-methyl-3-[5?-amino6?(2?,3??-dichlorophenyl..."	"CC1=Nc2c(Br)cc(Br)cc2C(=O)N1c3nnc(c(N)n3)c4cccc(Cl)c4Cl"	0	""	""	1	1	"24204732"	NA
"732568"	732568	"6,8-dibromo-2-phenyl-3-[5?-amino6?(2??,3??-dichloropheny..."	"Nc1nc(nnc1c2cccc(Cl)c2Cl)N3C(=O)c4cc(Br)cc(Br)c4N=C3c5ccccc5"	0	""	""	1	1	"24204733"	NA
"732632"	732632	"(3-thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-..."	"S=C1SN=C2N(CC#N)CCN12"	0	""	""	1	1	"24204736"	NA
"732659"	732659	"6-(3-chloropropyl)-5,6-dihydro-2,3-dimethyoxy-5,11-dioxo..."	"COc1cc2C(=O)N(CCCCl)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	1	1	"17755315"	NA
"732660"	732660	"9-bromo-6-(3-chloropropyl)-5,6-dihydro -5,11-dioxo-11h-i..."	"ClCCCN1C(=O)c2ccccc2C3=C1c4ccc(Br)cc4C3=O"	0	""	""	1	1	"45027881"	NA
"732661"	732661	"6-(3-chloropropyl)-5,6-dihydro-5,11-dioxo-11h-indeno[1,2..."	"ClCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"45027882"	NA
"732662"	732662	"6-(3-chloropropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-d..."	"ClCCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	1	1	"45027883"	NA
"732693"	732693	"3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihy..."	"ClC1=C(Nc2cccc(Cl)c2)C(=O)N(Cc3ccccc3Cl)C1=O"	0	""	""	1	1	"1179892"	NA
"732694"	732694	"3-chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)..."	"FC(F)(F)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3Cl)C2=O)c1"	0	""	""	2	2	"1179893"	NA
"732695"	732695	"3-chloro-4-(3-hydroxyanilino)-1-(2,4,5-trichlorophenyl)-..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3cc(Cl)c(Cl)cc3Cl)c1"	0	""	""	1	1	"1179894"	NA
"732697"	732697	"3,5-dichloro-1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-d..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccc(Cl)cc4Cl)C1=O"	0	""	""	1	1	"1640162"	NA
"732698"	732698	"1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-dioxo-2,5-dihy..."	"FC(F)(F)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)c1"	0	""	""	1	1	"1640172"	NA
"732699"	732699	"1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-dioxo-2,5-dihy..."	"Oc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)c1"	0	""	""	2	2	"1179913"	NA
"732730"	732730	"1-cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	"O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)n3nc4c(Cc5ccccc45)c3c6cccs6"	0	""	""	1	1	"24204749"	NA
"732732"	732732	"4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc3c(Cc4ccccc34)c2c5ccc(Cl)cc5"	0	""	""	1	1	"24204751"	NA
"732734"	732734	"1-[4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	"Clc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	"16046109"	NA
"732736"	732736	"1-[4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Clc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	"24204754"	NA
"732737"	732737	"1-[4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	"Clc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	"24204755"	NA
"732738"	732738	"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide"	"Clc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)\N=C\6/SCC(=O)N6c7ccccc7"	0	""	""	1	1	"24204756"	NA
"732741"	732741	"1-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Cc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	"24204759"	NA
"732750"	732750	"4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)N"	0	""	""	1	1	"24204768"	NA
"732751"	732751	"1-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	"24204769"	NA
"732752"	732752	"1-cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	"24204770"	NA
"732786"	732786	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2,..."	"COc1cccc(c1)N2CC(=O)C(=C2N)c3nc4ccccc4s3"	0	""	""	2	2	"135444827"	NA
"732787"	732787	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethoxyphenyl..."	"COc1ccc(OC)c(c1)N2CC(=O)C(=C2N)c3nc4ccccc4s3"	0	""	""	1	1	"135459277"	NA
"732793"	732793	"3-chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-di..."	"COc1ccc(CN2C(=O)C(=C(Nc3cccc(O)c3)C2=O)Cl)cc1"	0	""	""	1	1	"1179896"	NA
"732796"	732796	"3-chloro-1-(2,4-dichlorobenzyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1"	0	""	""	1	1	"1179901"	NA
"732800"	732800	"methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-diox..."	"COC(=O)c1ccc(CN2C(=O)C(=C(Nc3cccc(Cl)c3C)C2=O)Cl)cc1"	0	""	""	1	1	"1179905"	NA
"732805"	732805	"(-)-apogossypol hexaacetate"	"CC(C)c1c(OC(=O)C)c(OC(=O)C)cc2c(OC(=O)C)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(OC(=O)C)c(OC(=O)C)cc4c3OC(=O)C"	0	NA	NA	2	1	"48429780"	NA
"732807"	732807	"hydrochloride 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidi..."	"Cc1ccc(cc1)c2csc3ncnc(Nc4cccc(O)c4)c23"	0	""	""	1	1	"18590612"	NA
"732820"	732820	"n1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1194861"	NA
"732821"	732821	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3ccccc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1194862"	NA
"732822"	732822	"n1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-di..."	"FC(F)(F)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	"1194866"	NA
"732824"	732824	"ethyl 4-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3..."	"CCOC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1"	0	""	""	1	1	"1194875"	NA
"732825"	732825	"n1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-..."	"COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	"1194933"	NA
"732826"	732826	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"COc1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	"1194947"	NA
"732827"	732827	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c(OC)c1"	0	""	""	1	1	"1194951"	NA
"732828"	732828	"n1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1194955"	NA
"732829"	732829	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574705"	NA
"732830"	732830	"n1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"Fc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	"1194957"	NA
"732832"	732832	"1-{2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-py..."	"COc1ccc(CCNC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1OC"	0	""	""	1	1	"1194992"	NA
"732833"	732833	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1ccc(Cl)c(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	"1574715"	NA
"732834"	732834	"3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1..."	"CC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	"1178251"	NA
"732836"	732836	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	"1574727"	NA
"732837"	732837	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1cc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)ccc1Cl"	0	""	""	1	1	"1574730"	NA
"732838"	732838	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1574733"	NA
"732839"	732839	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"Cc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1Cl"	0	""	""	1	1	"1194942"	NA
"732841"	732841	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	"1194958"	NA
"732842"	732842	"methyl 3-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-..."	"COC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	"1194961"	NA
"732843"	732843	"methyl 4-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-..."	"COC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	"1194965"	NA
"732844"	732844	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"Fc1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	"1194968"	NA
"732845"	732845	"2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCC3CCCO3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"3317510"	NA
"732847"	732847	"n1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3ccc(Cl)cc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"1194863"	NA
"732848"	732848	"2-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)NCc3occc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"16252025"	NA
"732849"	732849	"n1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,..."	"NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1"	0	""	""	1	1	"1194898"	NA
"732850"	732850	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"Oc1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	"1194899"	NA
"732851"	732851	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"FC(F)(F)c1ccc(Cl)c(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	"1574661"	NA
"732853"	732853	"2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1h-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCc3occc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	"7897249"	NA
"732859"	732859	"2-chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid..."	"Clc1ccccc1S(=O)(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)c4ccccc4"	0	""	""	1	1	"24204776"	NA
"732882"	732882	"3-(3,4-dichlorobenzyl)-6-phenyl-3,4-dihydrothieno[2,3-d]..."	"Clc1ccc(CN2C=Nc3sc(cc3C2=O)c4ccccc4)cc1Cl"	0	""	""	1	1	"1191810"	NA
"732884"	732884	"ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno..."	"CCOC(=O)c1sc2N=CN(Cc3cccc(Br)c3)C(=O)c2c1C"	0	""	""	1	1	"2792859"	NA
"732897"	732897	"3-(3,4-dichlorobenzyl)-5,6-dimethyl-3,4-dihydrothieno[2,..."	"Cc1sc2N=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1C"	0	""	""	1	1	"2077565"	NA
"732903"	732903	"n6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrot..."	"Cc1c(sc2N=CN(Cc3cccc(Cl)c3)C(=O)c12)C(=O)Nc4ccccc4"	0	""	""	1	1	"1191776"	NA
"732917"	732917	"Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate"	"CCOP(=O)(OCC)C(NC(c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	"12753798"	NA
"732936"	732936	"5,6-dihydro-6-(3-dimethylamino-1-propyl)-2,3-methylenedi..."	"CN(C)CCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	2	2	"44409873"	NA
"732937"	732937	"6-(3-azidopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	1	1	"17755408"	NA
"732938"	732938	"6-(3-azidopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di..."	"[N-]=[N+]=NCCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	1	1	"45027884"	NA
"732949"	732949	"dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate"	"COC(=O)[C@H]1CC(CC(=O)C([C@@H]2O[C@](C)(C[C@@H]3OC(=O)[C@]14O[C@@H]34)CC2=O)C(=O)OC)C(=C)C=O"	0	""	""	1	1	"54612712"	NA
"732950"	732950	"(4E,8E,11E,13R,15R)-4,8,12,15-tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde"	"C\C\1=C/C\C=C(/C)\[C@H]2CC(CC\C(=C\CC1)\C)[C@@](C)(O2)C=O"	0	""	""	1	1	"24204792"	NA
"732954"	732954	"(1S,4E,8E,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC\C(=C\CC1)\C)C(=C)C(=O)O2"	0	""	""	1	1	"24204797"	NA
"732962"	732962	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-trifluor..."	"NC1=C(C(=O)CN1c2cc(ccc2Cl)C(F)(F)F)c3nc4ccccc4s3"	0	""	""	1	1	"135438224"	NA
"732964"	732964	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoroph..."	"NC1=C(C(=O)CN1c2ccc(F)c(Cl)c2)c3nc4ccccc4s3"	0	""	""	1	1	"135504535"	NA
"732966"	732966	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)..."	"NC1=C(C(=O)CN1c2ccc(Cl)cc2Cl)c3nc4ccccc4s3"	0	""	""	1	1	"135417075"	NA
"732974"	732974	"n1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanil..."	"COc1ccc(NC(=O)CSC2=C(Nc3cccc(Br)c3)C(=O)N(Cc4ccccc4)C2=O)cc1Cl"	0	""	""	1	1	"1179944"	NA
"732980"	732980	"9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2CCCc5ccccc5"	0	""	""	1	1	"24204800"	NA
"732990"	732990	"diethyl 2,3-dibenzoyl-4-thioxo-4h-thieno[3,2-c]thiopyran..."	"CCOC(=O)C1=C(C(=O)OCC)c2sc(C(=O)c3ccccc3)c(C(=O)c4ccccc4)c2C(=S)S1"	0	""	""	1	1	"11376086"	NA
"732995"	732995	"2-[2-ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-t..."	"CCN(Cc1nc2cc(ccc2nc1c3ccccc3)C(F)(F)F)c4ccc(OC)c(OC)c4"	0	""	""	1	1	"24204808"	NA
"733008"	733008	"2-amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2c(Cl)cccc2Cl)c(C#N)c(n1)N3CCOCC3"	0	""	""	1	1	"24204821"	NA
"733011"	733011	"2-amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2ccc(Cl)cc2Cl)c(C#N)c(n1)N3CCCC3"	0	""	""	1	1	"24204824"	NA
"733012"	733012	"2-amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2c(Cl)cccc2Cl)c(C#N)c(n1)N3CCCC3"	0	""	""	1	1	"11509076"	NA
"733134"	733134	"AR-685/40364930"	"Clc1ccc(C(=O)\C=C\c2cccs2)c(Cl)c1"	0	""	""	1	1	"8858308"	NA
"733142"	733142	"AR-685/43307781"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cccc(OC)c3OC"	0	""	""	1	1	"8108844"	NA
"733143"	733143	"(E)-3-(2,4-dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3ccc(Cl)cc3Cl"	0	""	""	1	1	"7947301"	NA
"733145"	733145	"AR-685/43306289"	"CSc1ccc(cc1)C(=O)\C=C\c2ccccc2Cl"	0	""	""	1	1	"11842511"	NA
"733149"	733149	"AR-685/43306228"	"COc1cc(\C=C\C(=O)c2ccc(SC)cc2)cc(OC)c1OC"	0	""	""	1	1	"16044723"	NA
"733153"	733153	"AR-685/43306239"	"COc1ccc(\C=C\C(=O)c2ccc(SC)cc2)cc1OC"	0	""	""	1	1	"11842505"	NA
"733154"	733154	"AR-685/43362993"	"COc1ccc(OC)c(\C=C\C(=O)c2ccc(SC)cc2)c1"	0	""	""	1	1	"11842566"	NA
"733164"	733164	"(5Z)-5-[(2-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one"	"Clc1ccccc1\C=C\2/N=C(N(Cc3occc3)C2=O)c4ccccc4"	0	""	""	1	1	"24204861"	NA
"733252"	733252	"J3.566.338J"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCc4[nH]c5ccc(F)cc5c4C3"	0	"HDAC"	""	1	1	"11619074"	NA
"733253"	733253	"N-(2-aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide"	"Nc1ccccc1NC(=O)CCc2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	"11675955"	NA
"733254"	733254	"(E)-N-(2-aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide"	"Nc1ccccc1NC(=O)\C=C\c2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	"11582279"	NA
"733255"	733255	"N-(2-aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CNC(=O)c3ccccc3"	0	"HDAC"	""	1	1	"11494465"	NA
"733301"	733301	"(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1ccc(Nc2cc(c3ccccc3n2)n4ccnc4)cc1"	0	""	""	1	1	"24204871"	NA
"733303"	733303	"(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2cc(c3ccccc3n2)n4ccnc4)c1"	0	""	""	1	1	"24204873"	NA
"733304"	733304	"(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2cc(c3ccccc3n2)n4ccnn4)c1"	0	""	""	1	1	"24204874"	NA
"733340"	733340	"3-benzoyloxy-1-hydroxy-2,4,8,9-tetrakis(methoxycarbonyl)..."	"COC(=O)[C@H]1C2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccccc3)c4ccccc4OC"	0	""	""	1	1	"24204886"	NA
"733345"	733345	"3-(4-chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,4,..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccc(Cl)cc3)c4ccccc4Cl"	0	""	""	1	1	"24204891"	NA
"733346"	733346	"7-(2-trifluoromethylphenyl)-1,3-dihydroxy-2,4,8,9-tetrak..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccccc3C(F)(F)F"	0	""	""	1	1	"54706361"	NA
"733348"	733348	"3-(4-chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hyd..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccc(Cl)cc3)c4ccccc4C(F)(F)F"	0	""	""	1	1	"24204894"	NA
"733396"	733396	"1-alpha-methyl-8-methoxy-5-bromo-6,7,-methylenedioxy-1-(..."	"COc1ccc2[C@H](OCc2c1OC)[C@@H]3N(C)CCc4c(Br)c5OCOc5c(OC)c34"	0	""	""	1	1	"10050740"	NA
"733397"	733397	"1-alpha-methyl-8-methoxy-5-bromo-6,7,-methylenedioxy-1-(..."	"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4c(Br)c5OCOc5c(OC)c34"	0	""	""	1	1	"10255081"	NA
"733411"	733411	"3-[2-[5-(p-metoksifenil)-1,3,4-oksadiazol-2-il]imino-4-t..."	"COc1ccc(cc1)c2oc(\N=C/3\NC(=O)\C(=C/4\C(=O)Nc5ccc(OC(F)(F)F)cc45)\S3)nn2"	0	""	""	1	1	"135414497"	NA
"733436"	733436	"5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1h-imidazole"	"COc1ccc(cc1)c2cncn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	3	2	"11290749"	NA
"733464"	733464	"4-[[2-(4-fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N(CC(=O)c2ccc(F)cc2)\C=C\C(=O)C(F)(F)F"	0	""	""	1	1	"24204925"	NA
"733465"	733465	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate"	"FC(F)(F)c1cc(Nc2ncccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	1	1	"11617441"	NA
"733467"	733467	"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate"	"FC(F)(F)c1cc(Nc2ncccc2C(=O)Oc3ccccc3Cl)ccn1"	0	""	""	1	1	"11639785"	NA
"733472"	733472	"(E)-4-(4-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	"Fc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c2ccc(Cl)cc2"	0	""	""	1	1	"24204927"	NA
"733476"	733476	"(E)-4-(4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	"FC(F)(F)C(=O)\C=C\N(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	"24204931"	NA
"733480"	733480	"(E)-1,1,1-trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one"	"Fc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c2ccccc2"	0	""	""	1	1	"24204935"	NA
"733501"	733501	"6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	2	2	"17755622"	NA
"733502"	733502	"cis-6-(3-bromopropyl)-12,13-dihydro-8,9,10-trimethoxy-3-..."	"COc1cc2[C@@H]3[C@H](C(=O)c2c(OC)c1OC)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"16098814"	NA
"733503"	733503	"cis-6-(3-bromopropyl)-12,13-dihydro-8,9-dimethoxy-3-nitr..."	"COc1cc2[C@@H]3[C@H](C(=O)c2cc1OC)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	2	2	"16098831"	NA
"733504"	733504	"Everolimus"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO"	0	"PK:STK,MTOR"	"FDA approved"	2	2	"-1"	"159351696"
"733608"	733608	"microcystin lr"	"CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(=O)O)C(=O)O"	0	""	""	1	1	"445434"	"101043372"
"733624"	733624	"frondoside a"	"COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(COC4O[C@H]5CC[C@]6(C)[C@@H]7CCC89[C@H]([C@H](C[C@@]8(C)C7=CCC6C5(C)C)OC(=O)C)[C@](C)(CCCC(C)C)OC9=O)OS(=O)(=O)O)C(OC%10OCC(O)C(O)C%10O)C3O)C2O)C1O"	0	""	""	2	1	"54611458"	NA
"733625"	733625	"carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl]pro..."	"C[C@]12C[C@H](CCCCCCNCCOC(=O)NCCCc3ccc(cc3)N(CCCl)CCCl)C4=C5CCC(=O)C=C5CCC4C1CC[C@@H]2O"	0	""	""	2	2	"11274076"	"865070377"
"733632"	733632	"(4S,6R,7S,9E)-6,16-dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one"	"COc1ccc(C[C@H]2C[C@@H](O)[C@@H](C)C\C=C\Cc3cccc(O)c3C(=O)O2)cn1"	0	""	""	1	1	"24204949"	NA
"733653"	733653	"6-(3-azidopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	"16098806"	NA
"733654"	733654	"6-(3-chloropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-di..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)[N+](=O)[O-]"	0	""	""	2	2	"16098804"	NA
"733670"	733670	"(hydroxymethoxy)N-methylpyrrolopyrrolizinones"	"COc1ccc(cc1O)c2cn(C)c3C(=O)c4cccn4c23"	0	""	""	1	1	"16061747"	NA
"733691"	733691	"2-[(Z)-6-(2-fluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2F"	0	""	""	1	1	"24204954"	NA
"733692"	733692	"2-[(Z)-6-(2,4-difluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(F)cc2F"	0	""	""	1	1	"24204955"	NA
"733693"	733693	"2-[(Z)-6-(2,4-dichlorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(Cl)cc2Cl"	0	""	""	1	1	"24204956"	NA
"733717"	733717	"5-methylamino-2,2-diphenyl-6h-[1,3]dithiine-4-carboxylic..."	"CNC1=C(SC(SC1)(c2ccccc2)c3ccccc3)C(=O)OC"	0	""	""	1	1	"15161940"	"139101761"
"733752"	733752	"[(5R,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate"	"C[C@H]1CCC\C(=C\CCC(=C)[C@H](O)CC2[C@@H](OC(=O)C2=C)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	"24204960"	NA
"733753"	733753	"[(5R,6E,9E,14S,15R,15aR)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate"	"C[C@H]1CCC\C(=C\C\C=C(/C)\[C@H](O)CC2[C@@H](OC(=O)C2=C)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	"24204961"	NA
"733755"	733755	"methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate"	"COC(=O)C(=C)[C@@H]1C[C@@H](O)[C@]2(C)CC\C=C(/C)\CCC[C@H](C)[C@H](O)C1O2"	0	""	""	1	1	"24204963"	NA
"733756"	733756	"[(3R,5R,8E,13S,14R,15R)-5,9,13-trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2CC3[C@@H](OC(=O)C34CC4)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	"24204964"	NA
"733758"	733758	"(1S,2E,10E,14R)-3-(hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol"	"CC(=C)[C@H]1CC\C(=C\CCC(=C)C(O)CC\C(=C/[C@@H]1O)\CO)\C"	0	""	""	1	1	"24204966"	NA
"733759"	733759	"(4E,6S,7R,10E)-6-hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one"	"CC1CC\C=C(/C)\CC[C@@H]([C@@H](O)\C=C(\CO)/CCC1=O)C(=C)C"	0	""	""	1	1	"24204967"	NA
"733760"	733760	"[4-acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OCC(OC(=O)C)C(OC(=O)C)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	"24204968"	NA
"733795"	733795	"3-o-methyl-16-formyl-17-(2'-furyl)estra-1,3,5(10),16-tet..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC(=C4c5occc5)C=O)[C@@H]3CCc2c1"	0	""	""	1	1	"24204972"	NA
"733880"	733880	"6-(3-bromopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11..."	"COc1ccc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c1OC"	0	""	""	1	1	"16098823"	NA
"733881"	733881	"6-(3-bromopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	"16098822"	NA
"733882"	733882	"6-(3-azidopropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	2	2	"16098807"	NA
"733883"	733883	"6-(3-chloropropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-di..."	"COc1cccc2C(=O)C3=C(N(CCCCl)C(=O)c4cc(ccc34)[N+](=O)[O-])c12"	0	""	""	1	1	"16098805"	NA
"733884"	733884	"6-(3-aminopropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	"16098829"	NA
"733885"	733885	"arylpurine derivatives"	"ClCc1cccc(Cn2cnc3c(Cl)ncnc23)c1"	0	""	""	1	1	"24204973"	NA
"733886"	733886	"arylpurine derivatives"	"ClCc1cccc(Cn2cnc3ncnc(Cl)c23)c1"	0	""	""	1	1	"24204974"	NA
"733888"	733888	"arylpurine derivatives"	"ClCc1ccccc1Cn2cnc3c(Cl)ncnc23"	0	""	""	1	1	"24204975"	NA
"733891"	733891	"arypurine derivatives"	"ClCc1ccccc1Cn2cnc3c(Cl)nc(Cl)nc23"	0	""	""	2	2	"16220246"	NA
"733892"	733892	"arylpurine derivatives"	"ClCc1ccccc1Cn2cnc3nc(Cl)nc(Cl)c23"	0	""	""	2	2	"24204977"	NA
"733893"	733893	"bis-arylpurine derivatives"	"Clc1nc(Cl)c2ncn(Cc3ccccc3Cn4cnc5c(Cl)nc(Cl)nc45)c2n1"	0	""	""	2	2	"16126516"	NA
"733901"	733901	"(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"COc1cccc(OC(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F)c1"	0	""	""	1	1	"24204985"	NA
"733906"	733906	"(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)Oc3ccc(Cl)cc3)C(F)(F)F"	0	""	""	1	1	"24204990"	NA
"733909"	733909	"(2-Chlorophenyl) 2-[3-(trifluoromethyl)anilino]benzoate"	"FC(F)(F)c1cccc(Nc2ccccc2C(=O)Oc3ccccc3Cl)c1"	0	""	""	1	1	"11538385"	NA
"733975"	733975	"(1S,9E,13R,14R)-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CCC3(C)OC3CC1)C(=C)CO2"	0	""	""	2	2	"24205017"	NA
"733981"	733981	"gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deo..."	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(CC2O)N3C=C(F)C(=O)NC3=O"	0	""	""	2	2	"24205019"	NA
"734002"	734002	"N-(2-benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride"	"C(CSCc1ccccc1)NCCN(CCNCCSCc2ccccc2)CCNCCSCc3ccccc3"	0	""	""	1	1	"24205027"	NA
"734036"	734036	"6-chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,1,-dioxo-3..."	"Clc1ccc(cc1)S(=O)(=O)N2\C(=N\c3ccccc3)\Sc4cc(Cl)c(cc4S2(=O)=O)C#N"	0	""	""	1	1	"24205032"	NA
"734037"	734037	"2-(5-bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,1-dioxo..."	"Clc1cc2S\C(=N/c3ccccc3)\N(S(=O)(=O)c4ccc(Br)s4)S(=O)(=O)c2cc1C#N"	0	""	""	1	1	"24205033"	NA
"734039"	734039	"ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,1-dioxo-3..."	"CCOC(=O)c1cc2c(S\C(=N/c3ccccc3)\N(S(=O)(=O)c4ccc(Br)s4)S2(=O)=O)cc1Cl"	0	""	""	1	1	"24205035"	NA
"734046"	734046	"2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzen..."	"OC1=NS(=O)(=O)N(C(=N1)O)S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S"	0	""	""	1	1	"23624974"	NA
"734054"	734054	"2-benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-n-(1,3..."	"Fc1ccc(NC(=O)c2cc(c(SCc3ccccc3)cc2Cl)S(=O)(=O)Nc4oc5ccccc5n4)cc1"	0	""	""	1	1	"16092411"	NA
"734055"	734055	"2-benzylthio-4-chloro-5-cyano-n-(1,3-benzoxazol-2-yl)ben..."	"Clc1cc(SCc2ccccc2)c(cc1C#N)S(=O)(=O)Nc3oc4ccccc4n3"	0	""	""	1	1	"16092415"	NA
"734057"	734057	"1-allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcar..."	"NC(=O)CSc1cc(Cl)c(cc1S(=O)(=O)\N=C(\NCC=C)/N\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)Nc3ccccc3"	0	""	""	1	1	"23583768"	NA
"734059"	734059	"1-[2-benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benz..."	"Oc1ccccc1NC(=N)NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(Cl)cc2SCc4ccccc4"	0	""	""	1	1	"24205038"	NA
"734076"	734076	"MP 122-123 oC STOR DRI"	"ClCc1cccc(Cn2cnc3c(Cl)nc(Cl)nc23)c1"	0	""	""	1	1	"24205044"	NA
"734077"	734077	"arylpurine analogues"	"ClCc1cccc(Cn2cnc3nc(Cl)nc(Cl)c23)c1"	0	""	""	2	2	"24205045"	NA
"734100"	734100	"3,3'-di(5,5'-difluoroindolyl)methane"	"Fc1ccc2[nH]cc(Cc3c[nH]c4ccc(F)cc34)c2c1"	0	""	""	1	1	"9882204"	NA
"734102"	734102	"1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride"	"NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	"24205052"	NA
"734129"	734129	"6-(2',5'-dichloro-phenyl)-4(4'-methoxy-phenyl)-1h-pyrazo..."	"COc1ccc(cc1)c2cc(nc3[nH]nc(N)c23)c4cc(Cl)ccc4Cl"	0	""	""	1	1	"24205054"	NA
"734132"	734132	"ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 2,..."	"CCOC(=O)C1=C(C)N(N)C(=S)NC1c2ccc(C)cc2"	0	""	""	1	1	"24205057"	NA
"734133"	734133	"6-(2',5'-dichloro-phenyl)-4(4'-flouro-phenyl) - 1h -pyra..."	"Nc1n[nH]c2nc(cc(c3ccc(F)cc3)c12)c4cc(Cl)ccc4Cl"	0	""	""	1	1	"24205058"	NA
"734135"	734135	"4-Amino-7(4'-hydroxy-phenyl)-5-(4"	"COc1ccc(cc1)c2cc(nc3NC(=S)N=C(N)c23)c4ccc(O)cc4"	0	""	""	1	1	"135580405"	NA
"734141"	734141	"6-(3-aminopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	2	2	"16098827"	NA
"734148"	734148	"2-(4-chloro-benzenesulfonylimino)-imidazolidine-1-carbod..."	"Clc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205066"	NA
"734149"	734149	"2-(4-methoxy-benzenesulfonylimino)-imidazolidine-1-carbo..."	"COc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205067"	NA
"734175"	734175	"experimental drug: 30 ml cytotoxic se(o)-protein conjuga..."	NA	0	NA	NA	1	1	"91145184"	NA
"734177"	734177	"control 2: 30 ml of rpmi-1640 medium = 5% fetal bovine s..."	NA	0	NA	NA	1	1	"91145186"	NA
"734179"	734179	"2-[(E)-[2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2ccccn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	2	2	"24205073"	NA
"734184"	734184	"1,3-bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\NC(=N)N\N=C\c4c(nc5sc(Cl)cn45)c6cc(OC)c(cc6OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"135580407"	NA
"734185"	734185	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	"16735296"	NA
"734186"	734186	"(3Z)-5-hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C\3/C(=O)N(C)c4ccc(O)cc34)c[nH]c2cc1C"	0	""	""	1	1	"24205079"	NA
"734187"	734187	"(3Z)-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C\3/C(=O)N(C)c4ccccc34)c[nH]c2cc1C"	0	""	""	2	2	"24205080"	NA
"734194"	734194	"note for the structure: it's a N-oxide derivative"	"COc1ccc2NC(=O)\C(=C/c3cc[n+]([O-])cc3)\c2c1"	0	""	""	2	1	"14952715"	NA
"734197"	734197	"(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	1	1	"16737377"	NA
"734201"	734201	"(3E)-5-chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(Cl)n(Cc5ccc(Cl)cc5)c2cc1C"	0	""	""	1	1	"16738493"	NA
"734207"	734207	"(3E)-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cc(C)c(O)cc34)c(Cl)n(C)c2cc1C"	0	""	""	2	2	"16738491"	NA
"734208"	734208	"(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one"	"CCN1C(=O)\C(=C\c2c(Cl)[nH]c3cc(C)c(OC)cc23)\c4ccccc14"	0	""	""	1	1	"24205083"	NA
"734218"	734218	"6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde"	"Oc1ccc(O)c(c1)c2nc3sccn3c2C=O"	0	""	""	1	1	"11436870"	NA
"734219"	734219	"4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol"	"Oc1cc(c2cn3ccsc3n2)c(cc1O)[N+](=O)[O-]"	0	""	""	1	1	"24205086"	NA
"734220"	734220	"4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol"	"Oc1ccc(cc1O)c2cn3ccsc3n2"	0	""	""	1	1	"11368260"	NA
"734231"	734231	"2[4'Aminobiphenyl]5,6dichlorobenzimidazole"	"Nc1ccc(cc1)c2ccc(cc2)c3nc4cc(Cl)c(Cl)cc4[nH]3"	0	""	""	2	2	"24205088"	NA
"734235"	734235	"isoindolo[1,2-a]quinoxalin-4(5h)-one"	"O=C1Nc2ccccc2n3cc4ccccc4c13"	0	""	""	1	1	"24205090"	NA
"734236"	734236	"6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one"	"Cc1cccc2c1NC(=O)c3c4ccccc4cn23"	0	""	""	1	1	"24205091"	NA
"734237"	734237	"7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one"	"COc1ccc2c(NC(=O)c3c4ccccc4cn23)c1"	0	""	""	3	2	"24205092"	NA
"734238"	734238	"7,8-dichloroisoindolo[1,2-a]quinoxalin-4(5h)one"	"Clc1cc2NC(=O)c3c4ccccc4cn3c2cc1Cl"	0	""	""	1	1	"24205093"	NA
"734257"	734257	"1-aminomethyl-2-hydroxy-5-p-tolyl-5a,11,12,12a-tetrahydr..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN)c(O)ccc25"	0	""	""	1	1	"24205100"	NA
"734278"	734278	"N-(4-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide"	"Clc1ccc(NC(=O)CSc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	"16079750"	NA
"734280"	734280	"N-(4-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide"	"Clc1ccc(NC(=O)CS(=O)c2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	"24205108"	NA
"734286"	734286	"methyl 6,11-dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5h..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3C"	0	""	""	1	1	"45027888"	NA
"734287"	734287	"6-(3-aminopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	"16098808"	NA
"734288"	734288	"6-(3-azidopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11..."	"COc1ccc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2c1OC"	0	""	""	1	1	"16098825"	NA
"734289"	734289	"6-(3-azidopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(Br)cc4C3=O"	0	""	""	1	1	"17755973"	NA
"734294"	734294	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccc(Br)cc4C3=O"	0	"TOP1"	""	2	2	"17756600"	NA
"734295"	734295	"6-(3-azidopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	"16098824"	NA
"734296"	734296	"6-(3-bromopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	"16098803"	NA
"734303"	734303	"N-nonyl-3,4-dihydroxycinnamide"	"CCCCCCCCCNC(=O)\C=C\c1ccc(O)c(O)c1"	0	""	""	1	1	"11551263"	NA
"734307"	734307	"3,4-dihydroxy-n(3-o-methyl-estra-1,3,5(10)-trien-ol-17b-..."	"COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	"11546817"	NA
"734325"	734325	"DMAPT"	"CN(C)C[C@H]1[C@@H]2CC\C(=C\CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O)\C"	0	"NFkB"	"Clinical trial"	1	1	"-1"	NA
"734395"	734395	"2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile"	"Nc1nc(NCc2ccccc2)c(C#N)c(c3ccc(Cl)cc3Cl)c1C#N"	0	""	""	2	1	"24205131"	NA
"734396"	734396	"2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile"	"Nc1nc(NCc2ccccc2)c(C#N)c(c3ccccc3Cl)c1C#N"	0	""	""	1	1	"24205132"	NA
"734406"	734406	"2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	"Oc1cccc(c1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	1	1	"11553772"	NA
"734407"	734407	"2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	"Oc1ccc(cc1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	1	1	"135453114"	NA
"734409"	734409	"2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile"	"Clc1ccc(cc1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	2	1	"11503312"	NA
"734430"	734430	"5-fluoro-2'-deoxyuridyl 5-nitrofurfuryl n-(2,3-dihydroxy..."	"OCC(O)CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"24205136"	NA
"734468"	734468	"nitrobenzooxepenearylmethylene (F)"	"[O-][N+](=O)c1ccc2OCC\C(=C/c3ccc(F)cc3)\C(=O)c2c1"	0	""	""	1	1	"24205148"	NA
"734473"	734473	"(E)-3-(2,4-dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one"	"CSc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2Cl"	0	""	""	1	1	"19824717"	NA
"734479"	734479	"(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride"	"Clc1ccc(\C=C\2/N=C(N(Cc3occc3)C2=O)c4ccccc4)c(Cl)c1"	0	""	""	1	1	"24205160"	NA
"734482"	734482	"(E)-1-(2,4-Dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(\C=C\C(=O)c3ccc(Cl)cc3Cl)ccc2c1"	0	""	""	1	1	"24205165"	NA
"734502"	734502	"2-benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide"	"Clc1cccc(\C=N\NC(=O)CSC(c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	"24205182"	NA
"734509"	734509	"2-benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide"	"O=C(CSC(c1ccccc1)c2ccccc2)N\N=C\c3occc3"	0	""	""	3	1	"24205189"	NA
"734529"	734529	"trans-n-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexy..."	"COc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1OC"	0	""	""	1	1	"24205195"	NA
"734561"	734561	"6-(3-chloropropyl)-6,11-dihydro-2,3-dimethoxy-5,11-dioxo..."	"COc1cc2C(=O)N(CCCCl)C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	"17755317"	NA
"734562"	734562	"6-(3-aminopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(Br)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"17755124"	NA
"734603"	734603	"1,5-bis(4-methoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2cncn2c3ccc(OC)cc3"	0	""	""	1	1	"11265974"	NA
"734604"	734604	"1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole"	"FC(F)(F)c1ccc(cc1)c2cncn2c3ccccc3"	0	""	""	1	1	"11162021"	NA
"734625"	734625	"6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(NCCN(C)C)nc4ccccc34"	0	""	""	1	1	"24205207"	NA
"734626"	734626	"6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(NCCCN(C)C)nc4ccccc34"	0	""	""	1	1	"24205208"	NA
"734628"	734628	"6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4ccc(cc4)C(=O)C)nc5ccccc35"	0	""	""	1	1	"24205210"	NA
"734629"	734629	"6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4cccc(c4)C(=O)C)nc5ccccc35"	0	""	""	1	1	"24205211"	NA
"734631"	734631	"(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2c(c1)\C(=N\O)\c3c2c(Nc4ccc(cc4)\C(=N\O)\C)nc5ccccc35"	0	""	""	1	1	"24205213"	NA
"734633"	734633	"(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2c(c1)\C(=N\O)\c3c2c(Nc4cccc(c4)\C(=N/O)\C)nc5ccccc35"	0	""	""	1	1	"24205215"	NA
"734640"	734640	"9-methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine"	"COc1ccc2c(c1)\C(=N/c3ccc(F)c(F)c3F)\c4c2c(Nc5ccc(F)c(F)c5F)nc6ccccc46"	0	""	""	2	2	"24205222"	NA
"734646"	734646	"6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4ccc(Cl)cc4)nc5ccccc35"	0	""	""	1	1	"24205228"	NA
"734655"	734655	"(11Z)-N,9-dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine"	"CONc1nc2ccccc2c3\C(=N/OC)\c4cc(OC)ccc4c13"	0	""	""	1	1	"24205237"	NA
"734656"	734656	"[(Z)-(9-methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate"	"COc1ccc2c(c1)\C(=N\OC(=O)C)\c3c2c(O)nc4ccccc34"	0	""	""	1	1	"135580410"	NA
"734749"	734749	"6-(3-azido-propyl)-2,3-dimethoxthy-5,11-dioxo-5,11-dihyd..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	"17755511"	NA
"734755"	734755	"benzoic acid 10-hydroxy-11-oxo-5,11-dihydro-benzo[4,5]im..."	"Oc1ccc(OC(=O)c2ccccc2)c3C=C4Nc5ccccc5N4C(=O)c13"	0	""	""	1	1	"24205252"	NA
"734757"	734757	"7,8-dihydroxy-2,6-dimethyl-4-oxo-4h-pyrrolo(3,2,1-ij)qui..."	"CCOC(=O)c1c(C)n2C(=O)C=C(C)c3c(O)c(O)cc1c23"	0	""	""	1	1	"24205254"	NA
"734758"	734758	"Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)OCc2ccc(cc2)[N+](=O)[O-])ccc3c1c4C(=C)c5ccccc5C(=O)c4n3Cc6ccccc6"	0	""	""	1	1	"11706969"	NA
"734788"	734788	"2-amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile"	"C\C(=N/N1C(=C(C#N)C(=C(C#N)C1=O)c2ccc(Cl)cc2)N)\c3ccncc3"	0	""	""	1	1	"11516616"	NA
"734789"	734789	"2-amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile"	"C\C(=N/N1C(=C(C#N)C(=C(C#N)C1=O)c2ccc(Cl)cc2)N)\c3cccnc3"	0	""	""	1	1	"11696754"	NA
"734791"	734791	"4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one"	"OCC1OC(CC2OC=C3C(=O)OCCC3(O)C2C=C)C(O)C(O)C1O"	0	""	""	1	1	"24205264"	NA
"734793"	734793	"9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one"	"CCCn1c2c3ccccc3C(=O)c2c4c(O)cccc14"	0	""	""	1	1	"24205265"	NA
"734794"	734794	"9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one"	"COc1ccc(Cn2c3c4ccccc4C(=O)c3c5c(O)cccc25)cc1"	0	""	""	1	1	"24205266"	NA
"734795"	734795	"9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2c5ccccc5"	0	""	""	1	1	"24205267"	NA
"734796"	734796	"6-(3-amino-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	"17755628"	NA
"734797"	734797	"6-(3-chloro-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydr..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl"	0	""	""	1	1	"17755316"	NA
"734798"	734798	"bis-{(5,6-dihydro-5,11-diketo-3-nitro-11h-indeno[1,2-c]i..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCNCCCNCCCN4C(=O)c5ccccc5C6=C4c7cc(ccc7C6=O)[N+](=O)[O-])C(=O)c2c1)c8ccccc8C3=O"	0	""	""	2	2	"45027890"	NA
"734799"	734799	"6-(3-bromopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccc(F)cc4C3=O"	0	""	""	1	1	"17756504"	NA
"734872"	734872	"5,6-dihydro-6-(3-dimethylamino-1-propyl)-3-nitro-5,11-di..."	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	1	1	"44409874"	NA
"734875"	734875	"5-o-methyl 1,2,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1..."	"COC(=O)C1CC2(C(=C(c3ccc(C)cc3)C1(c4ccc(C)cc4)S2=O)c5ccc(C)cc5)c6ccc(C)cc6"	0	""	""	1	1	"24205269"	NA
"734877"	734877	"5,6-dicyano-1,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1..."	"Cc1ccc(cc1)C2=C(c3ccc(C)cc3)C4([C@@H](C#N)[C@H](C#N)C2(c5ccc(C)cc5)S4=O)c6ccc(C)cc6"	0	""	""	1	1	"24205271"	NA
"734905"	734905	"6-(3-azido-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	"17755410"	NA
"734912"	734912	"(1S,4R,6R,9R,11R,14R,15R)-14-hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one"	"C[C@@]1(O)CC[C@H]2O[C@]2(C)CC[C@H]3O[C@]3(C)CC[C@H]4C[C@H]1OC(=O)C4=C"	0	""	""	1	1	"24205275"	NA
"734913"	734913	"(1S,4S,6S,9R,11R,14R,15R)-14-hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one"	"C[C@@]1(O)CC[C@H]2O[C@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@H]4C[C@H]1OC(=O)C4=C"	0	""	""	1	1	"24205276"	NA
"734916"	734916	"[(1S,3R,13S,14R,15R)-3-hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate"	"C[C@H]1CCCC2(C)OC2CCC3(CO3)[C@H](O)C[C@@H]4[C@@H](OC(=O)C4=C)[C@@H]1OC(=O)C"	0	""	""	1	1	"24205279"	NA
"734918"	734918	"(1S,5S,6R,10E,14R,15S,17R)-14-hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@@H]3[C@@H](O2)[C@H]1OC(=O)C3=C)\C"	0	""	""	2	2	"6520568"	NA
"734919"	734919	"(1S,5S,8R,9S,11S,12R)-1,12-dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one"	"C[C@H]1C[C@@H](C=C(C)C)[C@@](C)(O)[C@@]2(O)OC(=O)C3=C2[C@@H]1CC[C@@H]3C"	0	""	""	1	1	"54612670"	NA
"734921"	734921	"Elisabatin B"	"CC(=Cc1cc(C)c2ccc(C)c3C(=O)C(=C(C)c1c23)O)C"	0	""	""	1	1	"10637400"	NA
"734923"	734923	"1,7-bis(3, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione"	"COc1ccc(\C=C\C(=C\C(=O)\C=C\c2ccc(OC)c(OC)c2)\O)cc1OC"	0	""	""	1	1	"6477182"	NA
"734924"	734924	"ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate"	"CCOC(=O)\C=C\C(=C(\O)/C=C/c1ccc(O)c(OC)c1)\C(=O)\C=C\c2ccc(O)c(OC)c2"	0	""	""	1	1	"54695591"	NA
"734926"	734926	"Flavenochromane C"	"COc1cc2OC(C)(C)CCc2c3OC(=C(O)C(=O)c13)c4ccc(O)cc4"	0	""	""	2	2	"11451469"	NA
"734945"	734945	"N-(4-aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide"	"Nc1ccc(NC(=O)c2ccc(cc2)C(=C)CN3CCc4ccccc4C3)cc1"	0	"HDAC"	""	1	1	"24205282"	NA
"734948"	734948	"N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide"	"Nc1ccccc1NC(=O)CCCc2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	"24205285"	NA
"734949"	734949	"4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide"	"C=C(CN1CCc2ccccc2C1)c3ccc(cc3)C(=O)Nc4cnccn4"	0	"HDAC"	""	1	1	"24205286"	NA
"734950"	734950	"Cyclopamine"	"C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C)[C@@H]2C"	0	""	""	2	1	"442972"	"4449518"
"734969"	734969	"Ethyl 3-(tolan-4'-yl)acrylate"	"CCOC(=O)\C=C\c1ccc(cc1)C#Cc2ccccc2"	0	""	""	1	1	"24205295"	NA
"734970"	734970	"4-[2-(1h-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-..."	"Cn1c2c(C(=O)N(CCCC(=O)NCCc3c[nH]cn3)c4c(nnn24)c5ccccc5)c6ccccc16"	0	""	""	1	1	"24205296"	NA
"734972"	734972	"4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4h-indolo[..."	"CCCCN(CCCC)CCCN1C(=O)c2c(n(C)c3ccccc23)n4nnc(c5ccccc5)c14"	0	""	""	1	1	"24205298"	NA
"734973"	734973	"1,2,9,10-tetrahydrothiazolo[2,3:2',3']pyrimido[6,5-b}ind..."	"O=C1N2CCSC2=Nc3c1[nH]c4ccccc34"	0	""	""	1	1	"1508416"	NA
"734974"	734974	"2,3,4,9-tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indo..."	"O=C1N2CCSC2=Nc3[nH]c4ccccc4c13"	0	""	""	1	1	"24205299"	NA
"734975"	734975	"6,7-dihydropyrrolo[3,2-d][1,3]thiazolo[3,2-a]pyrimidin-9..."	"O=C1N2CCSC2=Nc3cc[nH]c13"	0	""	""	1	1	"24205300"	NA
"734977"	734977	"ethyl n-[4-(10-methyl-3-phenyl-4h-indolo[3,2-e][1,2,3]tr..."	"CCOC(=O)CNC(=O)CCCN1C(=O)c2c(n(C)c3ccccc23)n4nnc(c5ccccc5)c14"	0	""	""	1	1	"24205302"	NA
"734978"	734978	"4-[4-n,n'-dicyclohexylcarbamidyl-1-oxobutyl-glicyl]-10-m..."	"Cn1c2c(C(=O)N(CCCC(=O)NCC(=O)O\C(=N\C3CCCCC3)\NC4CCCCC4)c5c(nnn25)c6ccccc6)c7ccccc17"	0	""	""	1	1	"24205303"	NA
"734980"	734980	"ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3..."	"CCCOC(=O)CCN1C(=Nc2[nH]cc(c3ccccc3)c2C1=O)SC"	0	""	""	1	1	"24205305"	NA
"734981"	734981	"ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3..."	"CCOC(=O)CCCN1C(=Nc2[nH]cc(c3ccccc3)c2C1=O)SC"	0	""	""	1	1	"24205306"	NA
"734982"	734982	"ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,5-dihydr..."	"CCOC(=O)CCCN1C(=Nc2cc([nH]c2C1=O)c3occc3)SC"	0	""	""	1	1	"24205307"	NA
"734996"	734996	"N-[4-[3-[2-[3-(benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide"	"O=C(NCCCCOCC#Cc1ccccc1C#CCS(=O)(=O)c2ccccc2)c3cc4ccccc4[nH]3"	0	""	""	2	2	"24205308"	NA
"734997"	734997	"6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"COc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	"24205309"	NA
"734999"	734999	"6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2cccs2"	0	""	""	1	1	"24205311"	NA
"735000"	735000	"6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"CSc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	"24205312"	NA
"735001"	735001	"6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccccc2C(F)(F)F"	0	""	""	1	1	"16750522"	NA
"735002"	735002	"1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene"	"COc1ccccc1C#Cc2ccccc2C#CCCCCCC#Cc3ccccc3C#Cc4ccccc4OC"	0	""	""	1	1	"24205313"	NA
"735004"	735004	"2-[(3Z,9Z)-12-(2-aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline"	"Nc1ccccc1C#C\C=C/C#CC#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	"24205315"	NA
"735006"	735006	"5, 7, 4' trimethoxy flavanone"	"COc1ccc(cc1)C2CC(=O)c3c(OC)cc(OC)cc3O2"	0	""	""	1	1	"5003667"	NA
"735007"	735007	"6,8 dimethoxy  5,4' dihydroxy flavone 7-o rhamnoside"	"COc1c(O)c2C(=O)C=C(Oc2c(OC)c1OC3OC(C)C(O)C(O)C3O)c4ccc(O)cc4"	0	""	""	1	1	"24205317"	NA
"735010"	735010	"6-(3-amino-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	2	2	"17755626"	NA
"735012"	735012	"bis-{(5,6-dihydro-5,11-diketo-3-nitro-11h-indeno[1,2-c]i..."	"[O-][N+](=O)c1ccc2C3=C(N(CCNCCCNCCN4C(=O)c5cc(ccc5C6=C4c7ccccc7C6=O)[N+](=O)[O-])C(=O)c2c1)c8ccccc8C3=O"	0	""	""	2	2	"45027892"	NA
"735019"	735019	"4-(1-methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=O)NC(=C2)c3ccccc3"	0	""	""	1	1	"19656591"	NA
"735021"	735021	"6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile"	"COc1ccc(cc1OC)C2=CC(=C(C#N)C(=O)N2)c3cccn3C"	0	""	""	1	1	"19656600"	NA
"735023"	735023	"2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3ccccc3"	0	""	""	2	1	"3355365"	NA
"735024"	735024	"2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3ccc(Br)cc3"	0	""	""	1	1	"3399462"	NA
"735025"	735025	"2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile"	"COc1ccc(cc1OC)C2=CC(=C(C#N)C(=N)N2)c3cccn3C"	0	""	""	1	1	"4659623"	NA
"735026"	735026	"2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3cccs3"	0	""	""	1	1	"24205319"	NA
"735029"	735029	"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	"OC(CNC1=C(C(=O)c2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4)CN5CCOCC5"	0	""	""	2	1	"11628216"	NA
"735030"	735030	"1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione"	"OC(CNC1=CC(=O)N(Cc2ccccc2)C(=O)N1Cc3ccccc3)CN4CCCC4"	0	""	""	1	1	"11683496"	NA
"735031"	735031	"[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	"O=C(OC(CNC1=CC(=O)N(Cc2ccccc2)C(=O)N1Cc3ccccc3)CN4CCCC4)c5ccccc5"	0	""	""	1	1	"11671069"	NA
"735032"	735032	"5-Benzoyl-1,3-dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione"	"OC(CNC1=C(C(=O)c2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4)CN5CCCC5"	0	""	""	1	1	"11599109"	NA
"735033"	735033	"[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	"CN1C(=O)C=C(NCC(CN2CCCC2)OC(=O)c3ccccc3)N(C)C1=O"	0	""	""	1	1	"11639615"	NA
"735036"	735036	"6-[3-(2-hydroxyethyl)-methylamino-1-propyl]-5,6-dihydro-..."	"COc1cc2C(=O)N(CCCN(C)CCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	"45027893"	NA
"735037"	735037	"Camptothecin Derivative"	"COc1cc2C(=O)N(CCCn3cccn3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	""	2	2	"16090528"	NA
"735040"	735040	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)C(C)N13)c(C)c(c4ccccc4)n2COC(CO)CO"	0	""	""	1	1	"24205323"	NA
"735041"	735041	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)C(C)N13)c(C)c(C)n2COC(CO)CO"	0	""	""	1	1	"24205324"	NA
"735043"	735043	"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one"	"CSC1=Nc2c(C3=NC(=O)CC(C)N13)c(C)c(C)n2COC(CO)CO"	0	""	""	1	1	"24205326"	NA
"735045"	735045	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)CN13)c(C)c(c4ccccc4)n2COC(CO)CO"	0	""	""	1	1	"24205328"	NA
"735063"	735063	"1-Ethynyl-2-carboethoxyethenylnaphthalene"	"CCOC(=O)\C=C\c1ccc2ccccc2c1C#C"	0	""	""	1	1	"24205329"	NA
"735152"	735152	"5,6-dihydro-2,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5..."	"COc1cc2C(=O)N(CCCN(C)C)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	2	2	"44409870"	NA
"735165"	735165	"2-[3-(pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2ccccn2"	0	""	""	2	2	"24205332"	NA
"735167"	735167	"4-[2-chloro-2-(3,4-dichloro-phenyl)-vinyl]-2,6-dimethyl-..."	"COC(=O)C1=C(C)NC(=C(C1\C=C(/Cl)\c2ccc(Cl)c(Cl)c2)C(=O)OC)C"	0	""	""	1	1	"24205333"	NA
"735169"	735169	"3-(3,5-bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-p..."	"FC(F)(F)c1cc(S\C=C\C(=O)c2ccc(Cl)cc2)cc(c1)C(F)(F)F"	0	""	""	1	1	"6181983"	NA
"735170"	735170	"1-(4-bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsu..."	"FC(F)(F)c1ccnc(S\C=C/C(=O)c2ccc(Br)cc2)n1"	0	""	""	1	1	"24205335"	NA
"735173"	735173	"5-[1-(4-chloro-phenyl)-1h-tetrazol-5-yl]-2-pyrrolidin-1-..."	"FC(F)(F)c1nc(ncc1c2nnnn2c3ccc(Cl)cc3)N4CCCC4"	0	""	""	1	1	"7285296"	NA
"735178"	735178	"5-(4-dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-..."	"CN(C)c1ccc(\C=C/2\SC(=NC2=O)N3CCN(C)CC3)cc1"	0	""	""	1	1	"1902891"	NA
"735179"	735179	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl di..."	"CCN(CC)C(=S)SCN1C(=O)c2ccccc2S1(=O)=O"	0	""	""	2	2	"16072143"	NA
"735180"	735180	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl pi..."	"O=C1N(CSC(=S)N2CCCCC2)S(=O)(=O)c3ccccc13"	0	""	""	2	2	"16072475"	NA
"735181"	735181	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl 4-..."	"CN1CCN(CC1)C(=S)SCN2C(=O)c3ccccc3S2(=O)=O"	0	""	""	1	1	"16072473"	NA
"735182"	735182	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl mo..."	"O=C1N(CSC(=S)N2CCOCC2)S(=O)(=O)c3ccccc13"	0	""	""	1	1	"16072469"	NA
"735183"	735183	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl py..."	"O=C1N(CSC(=S)N2CCCC2)S(=O)(=O)c3ccccc13"	0	""	""	2	2	"16072470"	NA
"735184"	735184	"s-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)methyl..."	"CCOC(=S)SCN1C(=O)c2ccccc2S1(=O)=O"	0	""	""	1	1	"16072465"	NA
"735186"	735186	"4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine"	"Nc1ccc(cc1)c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	2	2	"24205338"	NA
"735207"	735207	"(2S)-1-[(2-methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	"COc1ccc2c(CN3CCCC[C@H]3C(=O)O)cc4cc5OCOc5cc4c2c1"	0	""	""	1	1	"24205343"	NA
"735209"	735209	"(2S)-1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	"OC(=O)[C@@H]1CCCCN1Cc2cc3cc4OCOc4cc3c5cc(OCc6ccccc6)ccc25"	0	""	""	1	1	"24205345"	NA
"735211"	735211	"csa13"	"CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	""	""	2	2	"24205348"	NA
"735212"	735212	"N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]propane-1,3-diamine"	"C[C@H](CCCNCCCNCCCN)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	""	""	2	2	"24205349"	NA
"735215"	735215	"(11Z)-14-(furan-2-yl)-1-oxacyclotetradec-11-en-2-one"	"O=C1CCCCCCCC\C=C/CC(O1)c2occc2"	0	""	""	1	1	"11994738"	NA
"735306"	735306	"1,3-bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione"	"OC[C@@H](NC(CC=C)C1=CN(Cc2ccccc2Cl)C(=O)N(Cc3ccccc3Cl)C1=O)c4ccccc4"	0	""	""	1	1	"24205357"	NA
"735318"	735318	"1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)cc1"	0	""	""	1	1	"24205367"	NA
"735320"	735320	"4-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"C\C(=N/O)\c1ccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)cc1"	0	""	""	1	1	"24205369"	NA
"735322"	735322	"4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"C\C(=N/O)\c1cccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)c1"	0	""	""	2	2	"24205371"	NA
"735323"	735323	"4-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"CO\N=C(/C)\c1cccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)c1"	0	""	""	1	1	"24205372"	NA
"735324"	735324	"N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide"	"COc1cccc2c(Nc3ccc(cc3)C(=O)NCCN(C)C)cc(nc12)c4ccccc4"	0	""	""	1	1	"24205373"	NA
"735325"	735325	"N-[2-(2-hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide"	"COc1cccc2c(Nc3ccc(cc3)C(=O)NCCNCCO)cc(nc12)c4ccccc4"	0	""	""	1	1	"24205374"	NA
"735327"	735327	"STK921190"	"COc1ccc2c(OC(=O)c3cc(OC)ccc23)c1"	0	""	""	1	1	"800988"	NA
"735328"	735328	"3-[(2Z)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1ccc(cc1)\C(=N\O)\COc2ccc3c(OC(=O)c4cc(OC)ccc34)c2"	0	""	""	1	1	"24205376"	NA
"735330"	735330	"3-[(2Z)-2-hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1cccc(c1)\C(=N\O)\COc2ccc3c(OC(=O)c4cc(OC)ccc34)c2"	0	""	""	1	1	"24205378"	NA
"735331"	735331	"4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"O=C1CC\C(=C\COC2=CC(=O)Oc3ccccc23)\O1"	0	""	""	1	1	"24205379"	NA
"735332"	735332	"6,7-dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"Cc1cc2OC(=O)C=C(OC\C=C/3\CCC(=O)O3)c2cc1C"	0	""	""	1	1	"24205380"	NA
"735333"	735333	"4-methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"CC1=CC(=O)Oc2ccc(OC\C=C\3/CCC(=O)O3)cc12"	0	""	""	1	1	"24205381"	NA
"735334"	735334	"7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"O=C1CC\C(=C/COc2ccc3C=CC(=O)Oc3c2)\O1"	0	""	""	1	1	"24205382"	NA
"735335"	735335	"4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"CC1=CC(=O)Oc2cc(OC\C=C\3/CCC(=O)O3)ccc12"	0	""	""	2	2	"24205383"	NA
"735341"	735341	"3-[(2Z)-2-hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1ccc2c(c1)C(=O)Oc3cc(OC\C(=N/O)\C)ccc23"	0	""	""	1	1	"24205389"	NA
"735354"	735354	"1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1h-imidazole"	"COc1ccc(cc1)n2ccnc2c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"11688687"	NA
"735355"	735355	"2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1h-imidazole"	"COc1ccc(cc1)c2nccn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"11233092"	NA
"735356"	735356	"2,5-bis(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1h-i..."	"COc1ccc(cc1)c2cnc(c3ccc(OC)cc3)n2c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"11408209"	NA
"735362"	735362	"1'-.beta.-7-(1h-benzoquinazoline-2,4-dione)-2'-deoxy-d-r..."	"OCC1OC(CC1O)c2ccc3cc4NC(=O)NC(=O)c4cc3c2"	0	""	""	1	1	"24205394"	NA
"735363"	735363	"1'-.beta.-7-(2-amino-1h-benzoquinazolin-4-one)-2'-deoxy-..."	"NC1=NC(=O)c2cc3cc(ccc3cc2N1)C4CC(O)C(CO)O4"	0	""	""	1	1	"135580412"	NA
"735364"	735364	"(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"COc1cccc(OC(=O)c2ccc(nc2Nc3c(C)cccc3Cl)C(F)(F)F)c1"	0	""	""	1	1	"24205396"	NA
"735366"	735366	"2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c1C#N)c3ccccc3Cl"	0	""	""	1	1	"24205398"	NA
"735368"	735368	"2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3cccc(O)c3)c1C#N"	0	""	""	1	1	"24205400"	NA
"735369"	735369	"2-Amino-4-(4-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3ccc(Cl)cc3)c1C#N"	0	""	""	1	1	"24205401"	NA
"735372"	735372	"bis{(5,6-dihydro-5,11-diketo-2,3-dimethoxy-11h-indeno[1,..."	"COc1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC"	0	""	""	2	2	"45027895"	NA
"735373"	735373	"bis{(5,6-dihydro-5,11-diketo-2,3-dimethoxy-11h-indeno[1,..."	"COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC"	0	""	""	2	2	"45027896"	NA
"735403"	735403	"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F"	0	"HDAC"	""	1	1	"11534053"	NA
"735405"	735405	"AGN-PC-00AQFW"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccc(F)c(Cl)c4"	0	"HDAC"	""	1	1	"11518347"	NA
"735406"	735406	"N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccc4F"	0	"HDAC"	""	1	1	"11640567"	NA
"735407"	735407	"N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(F)c4"	0	"HDAC"	""	1	1	"11704671"	NA
"735408"	735408	"N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3C(=O)c4ccccc4c5ccccc35"	0	"HDAC"	""	2	2	"11719256"	NA
"735424"	735424	"2-(3-(hydroxymethyl)phenylamino)-6-(2,6-dichlorophenyl)-..."	"CN1C(=O)C(=Cc2cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl"	0	""	""	2	2	"447700"	NA
"735431"	735431	"2-[3-(3-chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen..."	"Fc1ccc(S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2)cc1Cl"	0	""	""	2	2	"18527565"	NA
"735432"	735432	"6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"Nc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	"24205403"	NA
"735435"	735435	"1-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one"	"FC(F)(F)c1ccccc1C#C\C=C/C#Cc2ccccc2N3CCCCC3=O"	0	""	""	1	1	"24205406"	NA
"735437"	735437	"2-[(Z)-6-(2,3,4,5,6-pentafluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2c(F)c(F)c(F)c(F)c2F"	0	""	""	1	1	"24205408"	NA
"735441"	735441	"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol"	"OCCCCC#Cc1ccccc1C#Cc2ccc(O)cc2"	0	""	""	1	1	"24205412"	NA
"735444"	735444	"6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccc(cc2)C(F)(F)F"	0	""	""	1	1	"24205415"	NA
"735465"	735465	"10(4-chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-..."	"CN1CCN(CC1)C2=CC3=Nc4ccccc4N(C3=CC2=N)c5ccc(Cl)cc5"	0	""	""	1	1	"24205416"	NA
"735466"	735466	"2[5(4-{2-[3-(4-chloroanilino)-10-(4-chlorophenyl)-2,10-d..."	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N\CCN5CCN(CCCCCN6C(=O)c7cccc8cccc(C6=O)c78)CC5)c9ccc(Cl)cc9)cc1"	0	""	""	1	1	"5276681"	NA
"735467"	735467	"2-hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,12-dihydro..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCCCC6)c(O)ccc25"	0	""	""	1	1	"24205417"	NA
"735469"	735469	"2-hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,12-dihydro..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCOCC6)c(O)ccc25"	0	""	""	1	1	"24205419"	NA
"735471"	735471	"2-hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,1..."	"COc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCOCC6)c(O)ccc25"	0	""	""	1	1	"24205421"	NA
"735472"	735472	"(2e,8s,9z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol"	"OC\C=C\C#CC#C[C@@H](O)\C=C/CCCCCC=C"	0	""	""	1	1	"10355169"	NA
"735473"	735473	"(2e,8r,9z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol"	"OC\C=C\C#CC#C[C@H](O)\C=C/CCCCCC=C"	0	""	""	1	1	"24205422"	NA
"735493"	735493	"5,6-dihydro-6-(3-imidazolyl-1-propyl)-2,3-dimethoxy-5,11..."	"COc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5ccccc45)c2cc1OC"	0	""	""	2	2	"45027897"	NA
"735519"	735519	"N-(2,6-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide"	"CC1SC2(CCCCC2C)N(NC(=O)c3[nH]c4ccc(C)cc4c3c5ccccc5)C1=O"	0	""	""	1	1	"24205425"	NA
"735520"	735520	"5-methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide"	"CC1CCCC2(C1)SCC(=O)N2NC(=O)c3[nH]c4ccc(C)cc4c3c5ccccc5"	0	""	""	1	1	"24205426"	NA
"735532"	735532	"5-bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide"	"CC1SC2(CCCCC2)N(NC(=O)c3[nH]c4ccc(Br)cc4c3c5ccccc5)C1=O"	0	""	""	1	1	"24205438"	NA
"735540"	735540	"5-fluoro-n-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4...."	"CC1SC2(CCC(CC2)c3ccccc3)N(NC(=O)c4[nH]c5ccc(F)cc5c4c6ccccc6)C1=O"	0	""	""	1	1	"24205446"	NA
"735779"	735779	"n-(4'-hydroxy-3'-methoxy-cinnamoyl)-3-o-methyl-17alpha(a..."	"COc1ccc2C3CC[C@@]4(C)C(CC[C@@]4(O)CNC(=O)\C=C\c5ccc(O)c(OC)c5)C3CCc2c1"	0	""	""	1	1	"24205448"	NA
"735780"	735780	"3-(e)-ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydron..."	"CCOC(=O)\C=C\C1=C(c2cccs2)c3ccccc3CC1"	0	""	""	1	1	"24205449"	NA
"735797"	735797	"7-methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2h-4-chromeny..."	"COc1ccc2C(=CC(=O)Oc2c1C)N3CCN(CCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	2	"16113135"	NA
"735798"	735798	"7-methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2h-4-chromeny..."	"COc1ccc2C(=CC(=O)Oc2c1C)N3CCN(CCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	2	"16113137"	NA
"735799"	735799	"7-methoxy-8-{5-[4-(2-oxo-2h-4-chromenyl)hexahydro-1- pyr..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCN4CCN(CC4)C5=CC(=O)Oc6ccccc56"	0	""	""	2	2	"16040331"	NA
"735805"	735805	"N-(4-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide"	"Fc1ccc(NC(=O)CN2C(=O)C(=Nc3ccccc23)c4ccccc4)cc1"	0	""	""	1	1	"11975181"	NA
"735806"	735806	"N-(4-fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide"	"Fc1ccc(NC(=O)CSc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	"16079751"	NA
"735807"	735807	"N-(4-fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide"	"Fc1ccc(NC(=O)CS(=O)(=O)c2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	"16079755"	NA
"735809"	735809	"(5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C=N\Nc1nc2ccccc2nc1c3ccccc3"	0	""	""	1	1	"24205451"	NA
"735812"	735812	"N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	"24205454"	NA
"735814"	735814	"N-(3-chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2cccc(O)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	"24205456"	NA
"735815"	735815	"N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	"24205457"	NA
"735819"	735819	"thieno[2,3-c]-2-acetyl-9,10-dihydrophenanthrene"	"CC(=O)c1cc2CCc3ccccc3c2c4ccsc14"	0	""	""	1	1	"24205461"	NA
"735821"	735821	"2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-..."	"O=C1N(CCN2CCNCC2)C(=O)c3ccc(N4CCN(CC4)c5ccc6C(=O)N(CCN7CCNCC7)C(=O)c8cccc5c68)c9cccc1c39"	0	""	""	1	1	"24205463"	NA
"735823"	735823	"2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-d..."	"CN1CCN(CC1)c2ccc3C(=O)N(CCN4CCN(CCCN5CCN(CCN6C(=O)c7cccc8c(ccc(C6=O)c78)N9CCN(C)CC9)CC5)CC4)C(=O)c%10cccc2c3%10"	0	""	""	1	1	"24205465"	NA
"735824"	735824	"5-hydroxy-7-{5-[4-(2-oxo-2h-4-chromenyl)hexahydro-1-pyra..."	"Oc1cc(OCCCCCN2CCN(CC2)C3=CC(=O)Oc4ccccc34)cc5OC(=CC(=O)c15)c6ccccc6"	0	""	""	1	1	"24205466"	NA
"735827"	735827	"7-.beta.-d-ribofuranosyl-4-oxo-3h-thieno-[3,4-d]pyrimidine"	"OCC1OC(C(O)C1O)c2scc3C(=O)NC=Nc23"	0	""	""	1	1	"135580413"	NA
"735843"	735843	"4,5,6,7-tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-di..."	"Cc1ccc(cc1)C2=C(c3ccc(C)cc3)C4(C5C(C(=O)OC5=O)C2(c6ccc(C)cc6)S4=O)c7ccc(C)cc7"	0	""	""	1	1	"24205469"	NA
"735846"	735846	"2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]propan-2-ylidene]amino]oxyacetic acid"	"C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC\C(=N\OCC(=O)O)\CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)OC7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	"45027898"	NA
"735946"	735946	"n-(4'-hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra..."	"COc1cc(\C=C\C(=O)NC[C@]2(O)CCC3C4CCc5cc(O)ccc5C4CCC23C)ccc1O"	0	""	""	1	1	"24205473"	NA
"735947"	735947	"n-(3',4'-dihydroxycinnamoyl-3-methoxy-17a-aminomethyl)-e..."	"COc1ccc2C3CCC4(C)C(CC[C@@]4(O)CNC(=O)\C=C\c5ccc(O)c(O)c5)C3CCc2c1"	0	""	""	1	1	"24205474"	NA
"736005"	736005	"6-(3-bromopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"17756502"	NA
"736016"	736016	"2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Cc1oc(cc1)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	"24205478"	NA
"736018"	736018	"2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile"	"COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	"24205480"	NA
"736019"	736019	"2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"COc1ccc(cc1)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	"24205481"	NA
"736022"	736022	"2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c1C#N)c3c(Cl)cccc3Cl"	0	""	""	1	1	"16721101"	NA
"736023"	736023	"2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3ccccn3)c1C#N"	0	""	""	2	1	"24205484"	NA
"736039"	736039	"5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4h..."	"Oc1cc(OCCCCCN2CCOCC2)cc3OC(=CC(=O)c13)c4ccccc4"	0	""	""	1	1	"24205486"	NA
"736040"	736040	"5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]..."	"CN1CCN(CCCCCOc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4)CC1"	0	""	""	1	1	"24205487"	NA
"736041"	736041	"7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4h-4-chro..."	"CCN(CC)CCCCCOc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3"	0	""	""	1	1	"24205488"	NA
"736042"	736042	"5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole"	"[O-][N+](=O)c1ccc(\C=C\c2nc3cc(Cl)ccc3[nH]2)cc1"	0	""	""	1	1	"15373173"	NA
"736043"	736043	"n-(3',4'-dihydroxycinnamoyl)-17a-(aminomethyl)-estra-1,3..."	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)CNC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	"24205489"	NA
"736048"	736048	"n-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-n'-(2-..."	"Cc1nc2ccccn2c1NC(=O)NN3C(SCC3=O)c4ccc(Cl)cc4"	0	""	""	1	1	"24205494"	NA
"736049"	736049	"n-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-n'-(2..."	"COc1ccc(cc1)C2SCC(=O)N2NC(=O)Nc3c(C)nc4ccccn34"	0	""	""	1	1	"24205495"	NA
"736060"	736060	"2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccs3)cc(n2)C(F)(F)F"	0	""	""	1	1	"24205505"	NA
"736062"	736062	"2-(toluene-4-sulfonylimino)-imidazolidine-1-carbodithioi..."	"Cc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205507"	NA
"736063"	736063	"2-(naphthalene-1-sulfonylimino)-imidazolidine-1-carbodit..."	"O=S(=O)(\N=C\1/NCCN1C(=S)SN2CCN3C(=S)SN=C23)c4cccc5ccccc45"	0	""	""	1	1	"24205508"	NA
"736064"	736064	"2-(4-bromo-benzenesulfonylimino)-imidazolidine-1-car bod..."	"Brc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205509"	NA
"736065"	736065	"2-(4-trifluoromethoxy-benzenesulfonylimino)-imidazolidin..."	"FC(F)(F)Oc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205510"	NA
"736067"	736067	"2-(4-phenoxy-benzenesulfonylimino)-imidazolidine-1-carbo..."	"O=S(=O)(\N=C\1/NCCN1C(=S)SN2CCN3C(=S)SN=C23)c4ccc(Oc5ccccc5)cc4"	0	""	""	1	1	"24205512"	NA
"736068"	736068	"2-(3-trifluoromethoxy-benzenesulfonylimino)-imidazolidin..."	"FC(F)(F)Oc1cccc(c1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205513"	NA
"736070"	736070	"2-(3,4-dimethoxy-benzenesulfonylimino)-imidazolidine-1-c..."	"COc1ccc(cc1OC)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"24205515"	NA
"736076"	736076	"4-[(z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpipe..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	"24205521"	NA
"736079"	736079	"4-[(z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCCC3"	0	""	""	2	2	"24205524"	NA
"736081"	736081	"4-morpholin-4-yl-6[(z)-2-(5-nitro-thiophen-2-yl)ethenyl]..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCOCC3"	0	""	""	1	1	"24205526"	NA
"736098"	736098	"VGHQGXLWUQBSQS-UHFFFAOYSA-N"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3c4ccccc4C(=O)c5ccccc35"	0	"HDAC"	""	2	2	"11612031"	NA
"736099"	736099	"N-(2-aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide"	"CN1CC(=O)N(CC(=C)c2ccc(cc2)C(=O)Nc3ccccc3N)C1=O"	0	"HDAC"	""	1	1	"11682081"	NA
"736100"	736100	"4-[3-[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide"	"CC(N1C(=O)[C@H]2CCCN2C(=O)c3ccccc13)C(=C)c4ccc(cc4)C(=O)N(C)c5ccccc5N"	0	"HDAC"	""	1	1	"24205527"	NA
"736101"	736101	"N-(2-aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3c4ccccc4Sc5ccccc35"	0	"HDAC"	""	2	2	"24205528"	NA
"736104"	736104	"4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid"	"CN1C(=O)N(C)C(=O)C(CC(=C)c2ccc(cc2)C(=O)O)(CC(=C)c3ccc(cc3)C(=O)O)C1=O"	0	""	""	1	1	"24205530"	NA
"736112"	736112	"5-methoxy, 4'-hydroxy,3-prenyl 7-o-rhamnopyranosido flavone"	"COc1cc(OC2OC(C)C(O)C(O)C2O)cc3OC(=C(CC=C(C)C)C(=O)c13)c4ccc(O)cc4"	0	""	""	1	1	"24205532"	NA
"736115"	736115	"6-(3-azidopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	"17756605"	NA
"736116"	736116	"6-(3-amonopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	"17755118"	NA
"736118"	736118	"3,4-dihydroxy-n-(3'-methoxyestra-1',3',5'(10'),6'-tetrae..."	"COc1ccc2C3CC[C@]4(C)C(CCC4C3C=Cc2c1)NC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	"24205536"	NA
"736122"	736122	"1-(benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic ac..."	"CCOC(=O)\C=C\C1=C(c2ccccc2CC1)c3csc4ccccc34"	0	""	""	1	1	"24205538"	NA
"736123"	736123	"n-(1',2'-dithiolanyl-3'-pentanonyl)-17-aminomethyl-3-met..."	"COc1ccc2C3CCC4(C)C(CCC4(O)CNC(=O)CCCCC5CCSS5)C3CCc2c1"	0	""	""	1	1	"24205539"	NA
"736149"	736149	"N-[(E)-(4-Chlorophenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4ccc(Cl)cc4"	0	""	""	1	1	"11590674"	NA
"736150"	736150	"N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4ccc(O)cc4"	0	""	""	1	1	"135580415"	NA
"736151"	736151	"5-methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1csc(\C=N\NC(=O)c2nnn(c2C)c3ccnc4c(cccc34)C(F)(F)F)c1"	0	""	""	1	1	"24205551"	NA
"736152"	736152	"(E)-3-(4-chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)\C=C\c4ccc(Cl)cc4"	0	""	""	1	1	"11532324"	NA
"736153"	736153	"(E)-3-(4-hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)\C=C\c4ccc(O)cc4"	0	""	""	1	1	"24205552"	NA
"736156"	736156	"3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1)c2nn3c(nnc3s2)c4ccc(F)c(Cl)c4"	0	""	""	1	1	"24205555"	NA
"736157"	736157	"3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Cl)c2nnc3sc(nn23)c4cc(Cl)cc(Cl)c4"	0	""	""	1	1	"24205556"	NA
"736160"	736160	"3-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccc(F)c(Cl)c4"	0	""	""	1	1	"24205559"	NA
"736161"	736161	"3-(3-chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"CSc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccc(F)c(Cl)c4"	0	""	""	1	1	"24205560"	NA
"736162"	736162	"1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)C"	0	""	""	1	1	"11709663"	NA
"736163"	736163	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)c4ccc(F)cc4"	0	""	""	1	1	"24205561"	NA
"736164"	736164	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)c4ccc(N)cc4"	0	""	""	1	1	"24205562"	NA
"736165"	736165	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3oc(cc3)c4ccc(Cl)cc4)C(=O)C"	0	""	""	1	1	"11690083"	NA
"736178"	736178	"1n-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-..."	"Clc1ccc(NC(=O)CN2CCN(CCCOC3=C(Oc4ccccc4C3=O)c5ccccc5)CC2)c(c1)C(=O)c6ccccc6Cl"	0	""	""	1	1	"24205570"	NA
"736179"	736179	"1,2-dithiolan-3-yl-n-(3'-methoxyestra-1',3',5'(10')-trie..."	"COc1ccc2C3CCC4(C)C(CCC4C3CCc2c1)NC(=O)CCCCC5CCSS5"	0	""	""	1	1	"24205571"	NA
"736181"	736181	"5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl n-methyl-n-(4..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(C(=O)NC2=O)[N+](=O)[O-])OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	"24205572"	NA
"736186"	736186	"(9-methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine"	"COc1ccc2c(Cc3c2c(NN)nc4ccccc34)c1"	0	""	""	1	1	"24205577"	NA
"736195"	736195	"3-chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide"	"CC(Cl)CC(=O)Nc1ccc2c(OC(=O)c3cc(NC(=O)CC(C)Cl)ccc23)c1"	0	""	""	1	1	"24205586"	NA
"736198"	736198	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccc(Cl)cc4C3=O"	0	"TOP1"	""	1	1	"17755849"	NA
"736200"	736200	"6-(3-bromopropyl)-5,6-dihydro3-nitro-5,11-dioxo-9-thiome..."	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"17755847"	NA
"736201"	736201	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(F)cc4C3=O"	0	"TOP1"	""	2	2	"17755972"	NA
"736202"	736202	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(I)cc4C3=O"	0	"TOP1"	""	1	1	"17755023"	NA
"736213"	736213	"2-(2-chloro-benzenesulfonylimino)-imidazolidine-1-carbod..."	"Clc1ccccc1S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	"16038016"	NA
"736241"	736241	"3-methoxy-estra-1,3,5(10)-triene-(17,16-c)pyrazole"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](Cc5c[nH]nc45)[C@@H]3CCc2c1"	0	""	""	1	1	"24205614"	NA
"736242"	736242	"4-(benzothien-2''-yl)-3-acetylethenyl-1,2,-dihydronaphth..."	"CC(=O)\C=C\C1=C(c2cc3ccccc3s2)c4ccccc4CC1"	0	""	""	1	1	"24205615"	NA
"736268"	736268	"2-[[a-(4-methoxybenzoyloxy)acetyl]amino]-4-carbethoxymet..."	"CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2)n1"	0	""	""	2	2	"7861871"	NA
"736283"	736283	"4-carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthi..."	"CCCCC(SC(=S)N1CCCC1)C(=O)Nc2nc(CC(=O)OCC)cs2"	0	""	""	1	1	"24205626"	NA
"736356"	736356	"(2E)-2-cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide"	"S\C(=C(/C#N)\c1nnc2c3ccccc3C(=O)Nn12)\Nc4ccccc4"	0	""	""	1	1	"24205673"	NA
"736359"	736359	"5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1F)c2cncn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"11233655"	NA
"736391"	736391	"2-[2-[(n,n-diethylamino)thiocarbamoylthio]hexanoylamino]..."	"CCCCC(SC(=S)N(CC)CC)C(=O)Nc1nc(CC(=O)OCC)cs1"	0	""	""	1	1	"24205695"	NA
"736394"	736394	"6-(3-aminopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(F)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"17755122"	NA
"736401"	736401	"N'-[2-(1,3-benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide"	"Cc1cc(NNC(=O)c2ccccc2O)nc(Nc3oc4ccccc4n3)n1"	0	""	""	2	1	"24205702"	NA
"736435"	736435	"6,7-difluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d..."	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4cc(F)c(F)cc14)C(F)(F)F"	0	""	""	1	1	"23635284"	NA
"736437"	736437	"7-Fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4ccc(F)cc14)C(F)(F)F"	0	""	""	1	1	"23635287"	NA
"736442"	736442	"7-fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxal..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	"23635525"	NA
"736443"	736443	"7-fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-di..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	"23635646"	NA
"736448"	736448	"7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio..."	"CCC(=O)c1c([n+]([O-])c2cc(N3CCNCC3)c(F)cc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	"24205716"	NA
"736463"	736463	"MK-886"	"CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc3ccc(Cl)cc3"	0	""	""	4	2	"3651377"	NA
"736493"	736493	"Indenoisoquinoline derivative"	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(I)cc4C3=O)[N+](=O)[O-]"	0	"TOP1"	""	2	2	"17755126"	NA
"736494"	736494	"6-(3-aminopropyl)-9-chloro-5,6-dihydro-3-nitro-5,11-diox..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(Cl)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"17756087"	NA
"736513"	736513	"\"leptostatin 2\" 6-(3-ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@H]1OC(=O)C=C[C@H]1C"	0	""	""	2	1	"11598010"	NA
"736553"	736553	"ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl..."	"CCOC(=O)\C=C\C1=C(c2ccsc2)c3ccc(OC)cc3CC1"	0	""	""	2	2	"24205739"	NA
"736555"	736555	"5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one"	"OC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	""	""	1	1	"24205741"	NA
"736563"	736563	"2-(4-chloro-2-methylphenoxy)-n-(4-chlorobenzo[d]thiazol-..."	"Cc1cc(Cl)ccc1OCC(=O)Nc2nc3c(Cl)cccc3s2"	0	""	""	1	1	"4266640"	NA
"736564"	736564	"3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one"	"CCOC1Oc2ccccc2C3=C1C=C(Sc4ccc(C)cc4)C(=O)O3"	0	""	""	1	1	"24205749"	NA
"736567"	736567	"(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one"	"CCOCNc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CC)CC)\N=C2c4ccccc4"	0	""	""	1	1	"24205751"	NA
"736574"	736574	"1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one"	"COc1cc(\C=N\CC(=O)CSC(c2ccccc2)c3ccccc3)ccc1O"	0	""	""	1	1	"135580423"	NA
"736591"	736591	"AR-685/43306209"	"COc1cc(\C=C\C(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC"	0	""	""	1	1	"9448385"	NA
"736605"	736605	"11H-indolo[3,2-c]quinolin-6-amine"	"Nc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	1	1	"2794531"	NA
"736606"	736606	"2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethanol"	"OCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	"24205771"	NA
"736607"	736607	"N-(2-piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine"	"C(CN1CCNCC1)Nc2nc3ccccc3c4[nH]c5ccccc5c24"	0	""	""	2	2	"24205772"	NA
"736608"	736608	"4-[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol"	"Oc1ccc(CCNc2nc3ccccc3c4[nH]c5ccccc5c24)cc1"	0	""	""	1	1	"24205773"	NA
"736609"	736609	"4-[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol"	"Oc1ccc(CCNc2nc3ccccc3c4[nH]c5ccccc5c24)cc1O"	0	""	""	1	1	"24205774"	NA
"736611"	736611	"N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine"	"NCCCNCCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	3	3	"24205776"	NA
"736612"	736612	"N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine"	"CN(CCCN)CCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	"24205777"	NA
"736613"	736613	"N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine"	"NCCCN1CCN(CCCNc2nc3ccccc3c4[nH]c5ccccc5c24)CC1"	0	""	""	2	2	"24205778"	NA
"736624"	736624	"Indenoisoquinoline derivative"	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	"TOP1"	""	2	2	"17755020"	NA
"736679"	736679	"6-(3-aminopropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-dio..."	"COc1cccc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c12"	0	""	""	2	2	"16098812"	NA
"736680"	736680	"6-(3-aminopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-thiom..."	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	"17756083"	NA
"736681"	736681	"6-(3-bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-sulfo..."	"CS(=O)(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"17755969"	NA
"736735"	736735	"5-(6-methoxy-napht-2-yl)-6-(3,4,5-trimethoxyphenyl)-2h-p..."	"COc1ccc2cc(ccc2c1)C3=C(C(=O)OC=C3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"24205789"	NA
"736738"	736738	"olomoucine ii, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxym..."	"CCC(CO)Nc1nc(NCc2ccccc2O)c3ncn(C(C)C)c3n1"	0	""	""	1	1	"10067756"	"500735477"
"736739"	736739	"e2gg, 5,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazol..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4[nH]nc(C(C)C)c4n2)cc1"	0	""	""	1	1	"16099748"	NA
"736740"	736740	"Ortho-topolin riboside"	"OCC1OC(C(O)C1O)n2cnc3c(NCc4ccccc4O)ncnc23"	0	""	""	2	2	"13506406"	"50868581"
"736753"	736753	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-4-androsten-..."	"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5cccc(OCCN6CCOCC6)c5)\C4=O"	0	""	""	1	1	"24205793"	NA
"736754"	736754	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidi..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6cccc(OCCN7CCOCC7)c6)\[C@@H]2O"	0	""	""	1	1	"24205794"	NA
"736756"	736756	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccc(OCCN6CCOCC6)c5)\[C@@H]2O"	0	""	""	1	1	"24205796"	NA
"736761"	736761	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5cccc(OCCN6CCOCC6)c5)\[C@@H]4OC(=O)C)[C@@H]3CC=C2C1"	0	""	""	1	1	"24205801"	NA
"736764"	736764	"16-[3-{(3-imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolid..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccc(OCCCn6ccnc6)c5)\[C@@H]2O"	0	""	""	2	1	"24205804"	NA
"736774"	736774	"(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide"	"CCn1c2ccccc2c3cc(\C=C(\C#N)/C(=O)N)ccc13"	0	""	""	2	2	"1724503"	NA
"736780"	736780	"(2z,4e)-2-cyano-5-[4-(diethylamino)phenyl]penta-2,4-dien..."	"CCN(CC)c1ccc(\C=C\C=C(\C#N)/C(=S)N)cc1"	0	""	""	1	1	"24205810"	NA
"736790"	736790	"(3E)-3-[[6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one"	"COc1ccc(OC)c(c1)c2nc3sc(C)cn3c2\C=C/4\C(=O)N(C)c5ccc(OC)cc45"	0	""	""	1	1	"24205813"	NA
"736793"	736793	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	"CN1C(=O)\C(=C\c2c(C)nc3sc(C)cn23)\c4ccccc14"	0	""	""	1	1	"24205817"	NA
"736797"	736797	"(3Z)-4-chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3cccc(Cl)c23)cc(OC)c1OC"	0	""	""	1	1	"24205821"	NA
"736798"	736798	"(3Z)-5-Chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(Cl)cc23)cc(OC)c1OC"	0	""	""	1	1	"2338588"	NA
"736802"	736802	"(3Z)-5-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(O)cc23)cc(OC)c1OC"	0	""	""	1	1	"24205822"	NA
"736803"	736803	"(3Z)-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(C)c3ccccc23)cc(OC)c1OC"	0	""	""	1	1	"5427240"	NA
"736804"	736804	"(3Z)-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(c3ccccc3)c4ccccc24)cc(OC)c1OC"	0	""	""	1	1	"24205823"	NA
"736805"	736805	"STK328353"	"COc1cc(\C=C\2/C(=O)Nc3ccccc23)cc(OC)c1OC"	0	""	""	1	1	"964103"	NA
"736807"	736807	"(3Z)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C\3/C(=O)Nc4ccc(Cl)cc34)c(C)nc2s1"	0	""	""	1	1	"24205825"	NA
"736808"	736808	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3c(C)nc4sc(C)nn34)\c2c1"	0	""	""	2	2	"24205826"	NA
"736811"	736811	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C\3/C(=O)Nc4ccccc34)c(C)nc2s1"	0	""	""	1	1	"24205829"	NA
"736815"	736815	"(3Z)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3c(nc4sc(C)cn34)c5ccc(C)cc5)\c2c1"	0	""	""	1	1	"24205833"	NA
"736817"	736817	"(3Z)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	"CN1C(=O)\C(=C/c2c(C)nc3sc(C)cn23)\c4cc(Cl)ccc14"	0	""	""	1	1	"24205835"	NA
"736818"	736818	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one"	"CN1C(=O)\C(=C/c2c(C)nc3sc(C)cn23)\c4cc(O)ccc14"	0	""	""	1	1	"24205836"	NA
"736829"	736829	"6-(5-aminopentyl)-5,6-dihydro-5,11-diketo-11h-indeno[1,2..."	"NCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"16221201"	NA
"736832"	736832	"6-(6-aminohexyl)-5,6-dihydro-5,11-diketo-11h-indeno[1,2-..."	"NCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"16221320"	NA
"736870"	736870	"?leptostatin 4? 6-(3-ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@H]1OC(=O)C=C[C@@H]1C"	0	""	""	2	1	"11670014"	NA
"736873"	736873	"6-(3-azidopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11h-i..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	"17755637"	NA
"736912"	736912	"ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(CC(C)C)c2c3nc[nH]c3C(=O)C(=O)c12"	0	""	""	1	1	"24205837"	NA
"736913"	736913	"ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c4nc[nH]c4C(=O)C(=O)c13"	0	""	""	1	1	"24205838"	NA
"736914"	736914	"ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c4nc[nH]c4C(=O)C(=O)c13"	0	""	""	1	1	"24205839"	NA
"736915"	736915	"Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc4OC(=O)C(=O)n5cnc3c45"	0	""	""	1	1	"24205840"	NA
"736916"	736916	"ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c4nc[nH]c4c(O)c(CN(C)C)c13"	0	""	""	1	1	"24205841"	NA
"736918"	736918	"(5-hydroxy-9,10-dihydro-8h-8,10a-diaza-pentaleno[1,2-a]n..."	"Oc1cc2c(C(=O)c3ccccc3)c4NCCn4c2c5ccccc15"	0	""	""	2	1	"24205844"	NA
"736919"	736919	"5,6-dichloro-1-(4-chlorphenyl)-3a,7a-dicyano-4,7-dihydro..."	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	"24205845"	NA
"736920"	736920	"5,6-dichlor-1-(2,4-dichlorbenzyl)-3a,7a-dicyano-4,7-dihy..."	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	"24205846"	NA
"736921"	736921	"5,6-dichlor-1-(4-methoxyphenyl)-3a,7a-dicyano-4,7-dihydr..."	"CCOC(=O)C1=C(N(c2ccc(OC)cc2)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O)c4ccccc4"	0	""	""	1	1	"24205847"	NA
"736922"	736922	"5,6-dichlor-1-(2,4-difluorphenyl)-3a,7a-dicyano-4,7-dihy..."	"CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	"24205848"	NA
"736988"	736988	"6-(3-aminopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11h-i..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN"	0	""	""	2	2	"17755854"	NA
"736989"	736989	"?leptostatin 1? 6-(3-ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C"	0	""	""	2	1	"11634200"	NA
"736992"	736992	"5-(Naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1cc(cc(OC)c1OC)n2cncc2c3ccc4ccccc4c3"	0	""	""	2	2	"24205849"	NA
"736993"	736993	"2-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1h-imidazole"	"COc1cc(cc(OC)c1OC)n2ccnc2c3ccc4ccccc4c3"	0	""	""	2	2	"11559546"	NA
"736994"	736994	"1-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)-1h-imidazole"	"COc1cc(cc(OC)c1OC)c2nccn2c3ccc4ccccc4c3"	0	""	""	2	2	"11639084"	NA
"737018"	737018	"1-[(7E)-3-(3,4-dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	"COc1ccc(\C=C\2/CC(C)CC3C(N(N=C23)C(=O)C)c4ccc(OC)c(OC)c4)cc1OC"	0	""	""	1	1	"24205852"	NA
"737023"	737023	"pyrazol derivatives"	"COc1ccc(\C=C\2/CC(C)CC3C(N(N=C23)c4ccccc4)c5ccc(OC)c(OC)c5)cc1OC"	0	""	""	1	1	"24205857"	NA
"737024"	737024	"N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-hexadecanoylpyrrolidine-2-carboxamide"	"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N5CCCC5C(=O)NCC(=O)N"	0	""	""	1	1	"24205858"	NA
"737027"	737027	"[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH"	"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N4CCCC4C(=O)NCC(=O)N"	0	""	""	1	1	"24205861"	NA
"737028"	737028	"[(palm-d-lys(pro-lys-lys-lys-arg-lys-val)pro-gly)1d-phe2..."	"CCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C(=O)CN2CCCC2C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)N4CCCC4C(=O)NC(CO)C(=O)NC(Cc5ccc(O)cc5)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	""	""	1	1	"24205862"	NA
"737029"	737029	"[(palm-pro-gly)1 d-phe2 pro3 d-lys(h-pro-lys-lys-lys-arg..."	"CCCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CCCCNC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N5CCCC5C(=O)NCC(=O)N)c6ccccc6"	0	""	""	1	1	"24205863"	NA
"737030"	737030	"n'-cyclohexylidene-5-fluoro-3-phenyl-1h-indole-2-carbohy..."	"Fc1ccc2[nH]c(C(=O)NN=C3CCCCC3)c(c4ccccc4)c2c1"	0	""	""	1	1	"24205864"	NA
"737064"	737064	"N-[3-(dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide"	"CN(C)CCCNC(=O)c1cc2Nc3c(cnc4ccc(cc34)[N+](=O)[O-])C(=O)c2n1C"	0	""	""	1	1	"10320046"	NA
"737071"	737071	"2-[4-(2-chlorophenyl)piperazin-1-yl]-n-(1,3-dibromo-6-ox..."	"Clc1ccccc1CN2CCN(CC(=O)NC3CC(=O)c4c(Br)sc(Br)c34)CC2"	0	""	""	1	1	"11628604"	NA
"737073"	737073	"n-(1,3-dibromo-6-oxo-5,6-dihydro-4h-cyclopenta[c]thien-4..."	"Brc1sc(Br)c2C(=O)CC(NC(=O)CCCc3c[nH]c4ccccc34)c12"	0	""	""	1	1	"24205884"	NA
"737076"	737076	"(1R,2R,3R,5S,6R,8R,12S)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol"	"CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@@](C)(O2)[C@H]3[C@H](O)C[C@](C)(O)[C@@H]3C1"	0	""	""	1	1	"54612708"	NA
"737077"	737077	"[(1S,2S,3R,4R,7R,8R,11S,14R,15R,17S)-15-hydroxy-14-methoxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate"	"CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H](C)C(=O)O[C@@]3(C)CC[C@@H](OC)[C@](C)(O)C[C@@H]4O[C@H]3[C@@H]2[C@@H]14"	0	""	""	1	1	"11015858"	NA
"737078"	737078	"[(1S,2S,3R,4R,7R,8R,11S,14R,17S)-14-hydroperoxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate"	"CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H](C)C(=O)O[C@@]3(C)CC[C@@H](OO)C(=C)C[C@@H]4O[C@H]3[C@@H]2[C@@H]14"	0	""	""	1	1	"11037490"	NA
"737081"	737081	"2-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OC(C)C(O)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	"24205888"	NA
"737132"	737132	"6-propyl-2,3-methylenedioxy-8,9-methylenedioxy-11h-inden..."	"CCC[n+]1cc2cc3OCOc3cc2c4Cc5cc6OCOc6cc5c14.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	2	"45027902"	NA
"737147"	737147	"2-(4-chloroanilino)-n'-[(4-acetylaminophenyl)sulphonyl]n..."	"CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c2cccnc2Nc3ccc(Cl)cc3"	0	""	""	1	1	"16126694"	NA
"737216"	737216	"5,6-ethylenediquino[3,2-b"	"C1C[n+]2c3N1c4nc5ccccc5cc4Sc3cc6ccccc26"	0	""	""	1	1	"16680184"	NA
"737222"	737222	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5ccc(Cl)cc5)n2)cc1"	0	""	""	1	1	"24205903"	NA
"737224"	737224	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2)cc1"	0	""	""	1	1	"24205905"	NA
"737225"	737225	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one"	"COc1ccccc1\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2"	0	""	""	1	1	"24205906"	NA
"737226"	737226	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5occc5)n2)cc1"	0	""	""	1	1	"24205907"	NA
"737227"	737227	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5cccs5)n2)cc1"	0	""	""	1	1	"24205908"	NA
"737231"	737231	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	1	1	"24205912"	NA
"737232"	737232	"1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(F)cc4)n2)cc1"	0	""	""	1	1	"24205913"	NA
"737260"	737260	"N-(2-iodylphenyl)-N-methylpivalamide"	"CN(C(=O)C(C)(C)C)c1ccccc1I(=O)=O"	0	""	""	1	1	"24205923"	NA
"737262"	737262	"N-benzyl-N-(2-iodylphenyl)acetamide"	"CC(=O)N(Cc1ccccc1)c2ccccc2I(=O)=O"	0	""	""	1	1	"24205925"	NA
"737303"	737303	"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid"	"OC(=O)Cn1c2c3ccccc3C(=O)c2c4c(O)cccc14"	0	""	""	1	1	"24205927"	NA
"737318"	737318	"6-(3-chloropropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl"	0	""	""	2	2	"17756199"	NA
"737342"	737342	"6-(3-azidopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	"17755406"	NA
"737344"	737344	"6-(3-aminopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	2	2	"17755517"	NA
"737345"	737345	"9-(benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,6-dih..."	"COC(=O)OCc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"17755968"	NA
"737348"	737348	"5-bromo-indirubin-3'-oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(Br)cc23)/Nc4ccccc14"	0	""	""	1	1	"135580426"	NA
"737352"	737352	"(7E)-5-methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole"	"COc1cc(\C=C\2/CC(C)CC3C(N(N=C23)c4ccccc4)c5cc(OC)c(OC)c(OC)c5)cc(OC)c1OC"	0	""	""	1	1	"24205932"	NA
"737369"	737369	"sc-25"	"CCCCCCCCCC(CCCC(O)CC(=O)O)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3OC4OC(C)C(OC(=O)CC(C)C)C(O)C4O"	0	""	""	1	1	"24205941"	NA
"737375"	737375	"6-amino-1,3-di-2-thienyl-5,6-dihydro-4h-cyclopenta[c]thi..."	"NC1CC(=O)c2c(sc(c3cccs3)c12)c4cccs4"	0	""	""	1	1	"24205943"	NA
"737427"	737427	"arylpurines"	"Nc1ncnc2c1ncn2Cc3ccc(c(O)c3)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	"24205952"	NA
"737428"	737428	"arylpurines"	"Oc1cc(Cn2cnc3c(Cl)nc(Cl)nc23)ccc1C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	"24205953"	NA
"737429"	737429	"arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(c(O)c3)C45CC6CC(CC(C6)C4)C5)c2n1"	0	""	""	1	1	"24205954"	NA
"737430"	737430	"arylpurines"	"Nc1ncnc2c1ncn2Cc3ccc(c(OCc4cc(F)c(F)cc4F)c3)C56CC7CC(CC(C7)C5)C6"	0	""	""	1	1	"24205955"	NA
"737431"	737431	"arylpurines"	"Fc1cc(F)c(COc2cc(Cn3cnc4c(Cl)nc(Cl)nc34)ccc2C56CC7CC(CC(C7)C5)C6)cc1F"	0	""	""	1	1	"24205956"	NA
"737432"	737432	"arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(c(OCc4cc(F)c(F)cc4F)c3)C56CC7CC(CC(C7)C5)C6)c2n1"	0	""	""	1	1	"24205957"	NA
"737433"	737433	"arylpurines"	"OC(COc1ccc(F)cc1)Cn2cnc3c(Cl)ncnc23"	0	""	""	1	1	"24205958"	NA
"737453"	737453	"1-(2-deoxy-.beta.-d-ribofuranosyl)-5-carbomethoxy-2-pyri..."	"COC(=O)C1=CN(C2CC(O)C(CO)O2)C(=O)N=C1"	0	""	""	2	1	"24205959"	NA
"737518"	737518	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(CCCn3cncn3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	""	2	2	"16090529"	NA
"737524"	737524	"hydroxybenzoestra-1,3,5(10),16-tetraen-3-ol"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc5ccc(O)cc25"	0	""	""	1	1	"24205962"	NA
"737529"	737529	"Bisarylpurines"	"OCCNc1ncnc2c1ncn2Cc3cccc(COc4cccc(OCc5cccc(Cn6cnc7c(NCCO)ncnc67)c5)c4)c3"	0	""	""	1	1	"24205965"	NA
"737606"	737606	"DNTOUPQUQYDGOQ-UHFFFAOYSA-N"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCNCC5"	0	""	""	1	1	"24205986"	NA
"737609"	737609	"9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CN(C)C"	0	""	""	1	1	"24205989"	NA
"737610"	737610	"9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CNCCN(C)C"	0	""	""	1	1	"24205990"	NA
"737613"	737613	"6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CCNCCNCCN"	0	""	""	1	1	"24205993"	NA
"737618"	737618	"N-([1]benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine"	"CN(C)CCNc1c2ccccc2nc3oc4ccccc4c13"	0	""	""	1	1	"24205997"	NA
"737668"	737668	"6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(cc4C3=O)c5ccccc5"	0	""	""	1	1	"17755971"	NA
"737671"	737671	"6-(3-aminopropyl)-5,6-dihbydro-3-nitro-5,11-dioxo-9-phen..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(cc4C3=O)c5ccccc5)[N+](=O)[O-]"	0	""	""	2	2	"17755120"	NA
"737672"	737672	"9-acetamido-6-(3-bromopropyl)-5,6-dihydro-3-nitro-5,11-d..."	"COc1cc2C(=O)N(CCCBr)C3=C(C(=O)c4cc(NC(=O)C)ccc34)c2cc1OC"	0	""	""	1	1	"17755222"	NA
"737697"	737697	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(C)nc2s1"	0	""	""	1	1	"24206017"	NA
"737698"	737698	"(3Z)-5-Fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(F)cc23)cc(OC)c1OC"	0	""	""	1	1	"5829927"	NA
"737699"	737699	"(3Z)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one"	"Cc1cn2c(\C=C\3/C(=O)Nc4ccc(O)cc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	"24206018"	NA
"737700"	737700	"(3Z)-3-[[6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one"	"COc1ccc(OC)c(c1)c2nc3sc(C)cn3c2\C=C\4/C(=O)N(C)c5ccccc45"	0	""	""	1	1	"24206019"	NA
"737707"	737707	"(3Z)-5-methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc2\C(=C\c3ccc(Oc4ccccc4)cc3)\C(=O)Nc2cc1C"	0	""	""	1	1	"24206022"	NA
"737732"	737732	"Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate"	"COP(=O)(OC)C(NC(c1ccccc1)c2ccccc2)c3ccc4OCOc4c3"	0	""	""	1	1	"24206024"	NA
"737733"	737733	"1n-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pheridyl..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ccccn3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	"24206025"	NA
"737734"	737734	"1n-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyrimidi..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ncccn3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	"24206026"	NA
"737735"	737735	"2-(3-{4-[5-(4-methyl piperazino)-1h-benzo[d]imidazol-2-y..."	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc(OCCCN5C(=O)c6cccc7cccc(C5=O)c67)cc4"	0	""	""	2	2	"24206027"	NA
"737736"	737736	"n'-(4-isopropyl-1,1-dioxdido-4h-1,2,4-benzothiadiazin-3-..."	"CC(C)N1C(=NS(=O)(=O)c2ccccc12)NNC(=O)c3cnccn3"	0	""	""	1	1	"15955468"	NA
"737737"	737737	"3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4h-1,2,4-ben..."	"O=C(N1CCN(CC1)C2=NS(=O)(=O)c3ccccc3N2c4ccccc4)c5ccncc5"	0	""	""	1	1	"24206028"	NA
"737747"	737747	"(E)-2-(1,3-benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile"	"N#C\C(=C/c1ccsc1)\c2oc3ccccc3n2"	0	""	""	1	1	"24206036"	NA
"737749"	737749	"(E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile"	"N#C\C(=C/c1ccccn1)\c2oc3ccccc3n2"	0	""	""	1	1	"24206037"	NA
"737754"	737754	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	"PK:YK,PDGFR,FGFR,KIT,VEGFR"	"FDA approved"	3	3	"11525740"	"635702646"
"737757"	737757	"2-(4-((Oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole"	"C(Oc1ccc(\C=C\C2=NCOC2)cc1)C3CO3"	0	""	""	1	1	"24206038"	NA
"737758"	737758	"6-chloro-2-methyl-4-phenylquinolin-3-ethyl carboxylate"	"CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3"	0	""	""	1	1	"629761"	NA
"737760"	737760	"2-Benzoyloxymethyl-1,4-naphthoquinone"	"O=C(OCC1=CC(=O)c2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	"24206039"	NA
"737780"	737780	"1-(4-chlorophenyl)-3,3-diphenyl-1'-methylspiro[azetidin-..."	"CN1C(=O)C2(N(C(=O)C2(c3ccccc3)c4ccccc4)c5ccc(Cl)cc5)c6ccccc16"	0	""	""	1	1	"16096361"	NA
"737781"	737781	"3-methoxyestra-1,3,5(10),16(17h)-tetraeno[16,17:1',2']-(..."	"COc1ccc2C3CC[C@@]4(C)C(CC5=CC(COC(=O)C)C6C(C45)C(=O)c7ccccc7C6=O)C3CCc2c1"	0	""	""	1	1	"24206044"	NA
"737793"	737793	"2-amino-4-[(e)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,6,7,8-t..."	"COc1ccc(\C=C\C2C(=C(N)OC3=C2C(=O)CCC3)C#N)cc1"	0	""	""	1	1	"24206054"	NA
"737794"	737794	"2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4h-..."	"COc1ccccc1C2C(=C(N)OC3=C2C(=O)CCC3)C#N"	0	""	""	1	1	"3155404"	NA
"737796"	737796	"2-amino-7-hydroxy-4-(2-methoxyphenyl)-4h-chromene-3-carb..."	"COc1ccccc1C2C(=C(N)Oc3cc(O)ccc23)C#N"	0	""	""	1	1	"3505618"	NA
"737799"	737799	"(2z)-2-amino-3-[((1z)-{4-[2-(methoxymethyl)pyrrolidin-1-..."	"COCC1CCCN1c2ccc(\C=N/C(=C(\N)/C#N)/C#N)cc2"	0	""	""	1	1	"24206055"	NA
"737800"	737800	"(2z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phen..."	"COCC1CCCN1c2ccc(\C=C(\C#N)/C(=S)N)cc2"	0	""	""	1	1	"24206056"	NA
"740008"	740008	"4-chloro-n-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithi..."	"CN(C)N(C1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	"24206071"	NA
"740010"	740010	"methyl 6-chloro-3-[5-bromo-n-(dimethylamino)-3-thienylsu..."	"COC(=O)c1cc2c(SC(=NS2(=O)=O)N(N(C)C)S(=O)(=O)c3ccc(Br)s3)cc1Cl"	0	""	""	1	1	"24206073"	NA
"740012"	740012	"ethyl 6-chloro-3-[n-(4-fluorophenyl)-5-methoxybenzenesul..."	"CCOC(=O)c1cc2c(SC(=NS2(=O)=O)N(c3ccc(F)cc3)S(=O)(=O)c4ccc(OC)cc4)cc1Cl"	0	""	""	1	1	"24206075"	NA
"740013"	740013	"8-quinolyl 6-chloro-3-[n-(4-fluorophenyl)-5-bromo-2-thie..."	"Fc1ccc(cc1)N(C2=NS(=O)(=O)c3cc(C(=O)Oc4cccc5cccnc45)c(Cl)cc3S2)S(=O)(=O)c6ccc(Br)s6"	0	""	""	1	1	"24206076"	NA
"740014"	740014	"ethyl 6-chloro-3-[n-(4-methoxyphenyl)-4-chlorobenzenesul..."	"CCOC(=O)c1cc2c(SC(=NS2(=O)=O)N(c3ccc(OC)cc3)S(=O)(=O)c4ccc(Cl)cc4)cc1Cl"	0	""	""	1	1	"24206077"	NA
"740024"	740024	"4-(2-benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,7-di..."	"CC1=NNC(=N)N(C(=C1)C)S(=O)(=O)c2cc(C)c(Cl)cc2SCc3ccccc3"	0	""	""	1	1	"24206087"	NA
"740025"	740025	"1,5-bis[(4-amidinophenyl)amino]-3-oxapentane dihydrochlo..."	"NC(=N)c1ccc(NCCOCCNc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	"24206088"	NA
"740026"	740026	"1,5-bis[4-cyano-2,6-dimetoxyphenoxy]-3-oxapentane"	"COc1cc(cc(OC)c1OCCOCCOc2c(OC)cc(cc2OC)C#N)C#N"	0	""	""	1	1	"24206089"	NA
"740028"	740028	"(-)-Dactylolide"	"C\C\1=C/[C@@H]2CC(=C)C[C@H](C\C=C\C(=O)C\C(=C/C=C/C(=O)O[C@@H](C1)C=O)\C)O2"	0	""	""	2	2	"11222845"	NA
"740033"	740033	"9-amino-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(N)ccc34)c2cc1OC"	0	""	""	2	2	"17755320"	NA
"740050"	740050	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)C(F)(F)F"	0	""	""	1	1	"44456733"	NA
"740051"	740051	"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide"	"COc1cc(NC(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F)cc(OC)c1OC"	0	""	""	3	2	"24882415"	NA
"740052"	740052	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone"	"COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(nc3Nc4cc(Cl)ccc4C)C(F)(F)F"	0	""	""	1	1	"44456732"	NA
"740053"	740053	"Ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid"	"C[C@]1(CCC[C@]2(C)C1CC[C@@]34CC(=O)[C@@](CO)(CC[C@@]23O)C4)C(=O)O"	0	""	""	1	1	"45027905"	NA
"740054"	740054	"ent-9a,13-dihydroxy-16,17-epoxy-kauran-19-oic acid"	"C[C@]1(CCC[C@]2(C)C1CC[C@@]34C[C@@](O)(CC[C@@]23O)[C@@]5(CO5)C4)C(=O)O"	0	""	""	1	1	"45027906"	NA
"740083"	740083	"3-o-methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,3,5..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC(=C4c5ccsc5)\C=C\C(=O)c6ccccc6)[C@@H]3CCc2c1"	0	""	""	1	1	"45027910"	NA
"740108"	740108	"3,3?-thiene-2,5-diylbis(5-methoxy-1h-indole)"	"COc1ccc2[nH]cc(c3ccc(s3)c4c[nH]c5ccc(OC)cc45)c2c1"	0	""	""	2	2	"16739281"	NA
"740109"	740109	"3,6-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quinoxalin..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	3	2	"23635528"	NA
"740110"	740110	"3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"23635776"	NA
"740115"	740115	"ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-ca..."	"CCOC(=O)c1nc2cc(ccc2[n+]([O-])c1C)C(F)(F)F"	0	""	""	1	1	"54612696"	NA
"740117"	740117	"2-Furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide"	"[O-][n+]1c(c(nc2cc(Cl)ccc12)C(=O)c3occc3)C(F)(F)F"	0	""	""	1	1	"54612695"	NA
"740119"	740119	"N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide"	"Cc1oc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)nc1C"	0	""	""	1	1	"45027916"	NA
"740121"	740121	"n-(2-amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-pip..."	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccc4C(F)(F)F"	0	""	""	2	2	"45027918"	NA
"740122"	740122	"n-(2-amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-pip..."	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccc(cc4)C(F)(F)F"	0	""	""	2	2	"45027919"	NA
"740124"	740124	"5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(NC2=O)c3ccc(Cl)cc3"	0	""	""	1	1	"44446871"	NA
"740125"	740125	"3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one"	"Clc1ccc(cc1)N2C=C(NC2=O)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	"44446876"	NA
"740127"	740127	"ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)c(OC)c3"	0	""	""	2	2	"45027922"	NA
"740128"	740128	"3-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1OC)N2C=C(NC2=S)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"24882588"	NA
"740129"	740129	"3-(4-Chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)C2=CN(C(=O)N2)c3ccc(Cl)cc3"	0	""	""	1	1	"44446873"	NA
"740131"	740131	"3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1ccc(cc1OC)n2cc(nc2SCc3cccc(c3)C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"45027924"	NA
"740160"	740160	"2-{4-[4-(5-morpholino-1h-benzo[d]imidazol-2-yl)phenoxy]b..."	"O=C1N(CCCCOc2ccc(cc2)c3nc4cc(ccc4[nH]3)N5CCOCC5)C(=O)c6cccc7cccc1c67"	0	""	""	2	2	"45027929"	NA
"740180"	740180	"Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate"	"CCOC(=O)N1CCN(CC1)C(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F"	0	""	""	1	1	"44456786"	NA
"740181"	740181	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4ccc(F)cc4)C(F)(F)F"	0	""	""	1	1	"44456731"	NA
"740182"	740182	"[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)C(F)(F)F"	0	""	""	1	1	"44456760"	NA
"740193"	740193	"4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one"	"CC(=O)\C=C\c1cn(C(=O)OC(C)(C)C)c2ccc(Br)cc12"	0	""	""	2	2	"45027931"	NA
"740203"	740203	"methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c4ncccc14"	0	""	""	1	1	"13776879"	NA
"740204"	740204	"methyl 10H-thieno[2,3-a]carbazole-4-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c4sccc14"	0	""	""	1	1	"44139294"	NA
"740239"	740239	"5-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide"	"Nc1c(cnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4oc(cc4)c5ccc(Cl)cc5"	0	""	""	1	1	"45027943"	NA
"740252"	740252	"ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2ccc(Cl)cc2)c3ccccc3"	0	""	""	1	1	"45027953"	NA
"740253"	740253	"ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	2	2	"45027954"	NA
"740256"	740256	"3-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1Cl)N2C=C(NC2=S)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"44446878"	NA
"740259"	740259	"2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	"COc1ccc(cc1)n2cc(nc2SCc3ccccc3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"45027957"	NA
"740260"	740260	"5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(NC2=O)c3ccccc3"	0	""	""	1	1	"44446870"	NA
"740261"	740261	"3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one"	"COc1ccc(cc1)C2=CN(C(=O)N2)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"44446872"	NA
"740263"	740263	"3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1cc(cc(OC)c1OC)n2cc(nc2SCc3cccc(c3)C#N)c4ccc(Cl)cc4"	0	""	""	1	1	"45027958"	NA
"740264"	740264	"3-(3-chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1Cl)N2C=C(NC2=S)c3ccc(OC)c(OC)c3"	0	""	""	1	1	"44446880"	NA
"740267"	740267	"9-amino-6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(N)ccc34)c2cc1OC"	0	""	""	2	2	"17755513"	NA
"740268"	740268	"Indenoisoquinoline derivative"	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCI)[N+](=O)[O-]"	0	"TOP1"	""	2	2	"17755638"	NA
"740269"	740269	"6-(7'-tert-boc-aminoheptyl)-5,6-dihydro-5,11-dioxo-11h-i..."	"CC(C)(C)OC(=O)NCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"16221147"	NA
"740270"	740270	"6-(10'-tert-boc-aminodecyl)-5,6-dihydro-5,11-dioxo-11h-i..."	"CC(C)(C)OC(=O)NCCCCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"16221318"	NA
"740272"	740272	"6-(3-aminopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11..."	"CCc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	1	1	"17755519"	NA
"740275"	740275	"5,6-dihydro-6-(3-morpholinyl-1-propyl)-5,11-dioxo-11h-in..."	"O=C1N(CCCN2CCOCC2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	2	2	"45027959"	NA
"740276"	740276	"5,6-dihydro-6-[3-(hydroxyethyl)amino-1-propyl]-5,11-diox..."	"OCCNCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"17755976"	NA
"740277"	740277	"5,6-dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-9-metho..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNCCO)[N+](=O)[O-]"	0	""	""	2	2	"17755974"	NA
"740345"	740345	"3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)"	"Cn1cc(c2cc([nH]n2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	1	1	"44433919"	NA
"740353"	740353	"2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone"	"COc1ccc(cc1)n2cc(c3cc(OC)c(OC)c(OC)c3)c(C(=O)C(F)(F)F)c2C"	0	""	""	1	1	"45027962"	NA
"740354"	740354	"1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone"	"COc1cc(cc(OC)c1OC)c2cn(c(C)c2C(=O)C(F)(F)F)c3ccc(Cl)cc3"	0	""	""	1	1	"45027963"	NA
"740356"	740356	"2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole"	"COc1cc(cc(OC)c1OC)n2cc(nc2SCc3ccccc3)c4ccc(F)cc4"	0	""	""	1	1	"45027965"	NA
"740357"	740357	"3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1ccc(cc1)n2cc(nc2SCc3cccc(c3)C#N)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	"45027966"	NA
"740358"	740358	"2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	"COc1ccc(cc1OC)n2cc(nc2SCc3ccccc3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	1	"45027967"	NA
"740361"	740361	"4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(N(C2=O)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	"45027970"	NA
"740362"	740362	"[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone"	"COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccccc3Nc4ccnc(c4)C(F)(F)F"	0	""	""	1	1	"45027971"	NA
"740363"	740363	"[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)ccn1"	0	""	""	2	1	"45027972"	NA
"740383"	740383	"3,7-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quioxaline..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"23635527"	NA
"740384"	740384	"3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"23635282"	NA
"740385"	740385	"7-Fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	"23635154"	NA
"740386"	740386	"3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	"23635775"	NA
"740387"	740387	"1n-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4..."	"COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1OCCCN3CCN(CC(=O)Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)CC3"	0	""	""	1	1	"25030563"	NA
"740469"	740469	"Naphtoindol"	"CC1=C(C#N)C23C(=O)c4ccccc4C(=C2C(=O)C=CC3(O)N1Cc5ccccc5)O"	0	""	""	1	1	"45027979"	NA
"740470"	740470	"Indolcarbonsaureester"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c4ccccc4C(=O)C(=O)c13"	0	""	""	1	1	"12402873"	NA
"740475"	740475	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(N3C=CC(=NC3=O)N)C(F)(F)C2O"	0	""	""	2	2	"45027980"	NA
"740476"	740476	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N"	0	""	""	2	2	"45027981"	NA
"740488"	740488	"cyclic arylpyrimidine"	"CC1=CN2Cc3ccccc3CN(C2=O)C1=O"	0	""	""	1	1	"45027984"	NA
"740489"	740489	"Bisarylpyrimidine"	"CC1=CN(Cc2ccccc2CCl)C(=O)N(Cc3ccccc3CCl)C1=O"	0	""	""	1	1	"45027985"	NA
"740497"	740497	"2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2nc3c(nc(cn3c2c4ccc(OC)cc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"45027989"	NA
"740504"	740504	"5,6-dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-3-nitro..."	"OCCNCCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	"17755739"	NA
"740505"	740505	"5,6-dihydro-9-methoxy-6-(3-morpholino-1-propyl)-3-nitro-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCOCC5)[N+](=O)[O-]"	0	""	""	2	2	"17755737"	NA
"740506"	740506	"6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)N(C)C)c2cc1OC"	0	""	""	2	1	"17755515"	NA
"740507"	740507	"5,6-dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-3-nitro-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]"	0	""	""	2	2	"17755745"	NA
"740508"	740508	"6-(7-amonoheptyl)-5,6-dihydro-5,11-dioxo-11h-indeno[1,2-..."	"NCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	"16221203"	NA
"740510"	740510	"6-(11-aminoundecyl)-5,6-dihydro-5,11-dioxo-11h-indeno[1,..."	"NCCCCCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	"16221323"	NA
"740520"	740520	"6-(3-bromopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCBr)C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	1	1	"17756300"	NA
"740521"	740521	"Indenoisoquinoline derivative"	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN(C)C)[N+](=O)[O-]"	0	"TOP1"	""	3	3	"17755743"	NA
"740524"	740524	"6-(3-azidopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	1	1	"17755409"	NA
"740536"	740536	"2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole"	"COc1ccc(cc1Cl)n2cc(nc2SCc3ccccc3)c4ccc(OC)c(OC)c4"	0	""	""	1	1	"45027997"	NA
"740551"	740551	"1.8-diphenyl-3-benzoyl-6-oxopyrazolo[3,4-e]pyrimidino[1,..."	"O=C(C1=NN(C2=NC3=NC(=CC(=O)N3N=C12)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	"45028001"	NA
"740552"	740552	"1-[3-chlorophenyl]-8-phenyl-3-benzoyl-6-oxopyrazolo[3,4-..."	"Clc1cccc(c1)N2N=C(C(=O)c3ccccc3)C4=NN5C(=O)C=C(N=C5N=C24)c6ccccc6"	0	""	""	1	1	"45028002"	NA
"740553"	740553	"1-[4-chlorophenyl]-8-phenyl-3-benzoyl-6-oxopyrazolo[3,4-..."	"Clc1ccc(cc1)N2N=C(C(=O)c3ccccc3)C4=NN5C(=O)C=C(N=C5N=C24)c6ccccc6"	0	""	""	1	1	"45028003"	NA
"740555"	740555	"10-(2,4-dichloro-benzyl)-5-hydroxy-4,8,8-trimethyl-7,8,9..."	"CC1=CC(=O)Nc2cc3c(c(O)c12)c4C(=O)CC(C)(C)Cc4n3Cc5ccc(Cl)cc5Cl"	0	""	""	1	1	"45028005"	NA
"740560"	740560	"5,10-Bis-epi-anamarine"	"C[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)\C=C\[C@@H]1CC=CC(=O)O1"	0	""	""	1	1	"45028007"	NA
"740562"	740562	"3-methoxy-17-hydroxyspiro[estra-1,3,5(10)-triene-16,1'-c..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC5(CCCCC5)[C@@H]4O)[C@@H]3CCc2c1"	0	""	""	1	1	"45028008"	NA
"740563"	740563	"6-(3-azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	"17755512"	NA
"740564"	740564	"6-(3-aminopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	2	2	"17755624"	NA
"740602"	740602	"Phomopsolide D"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@H]1CC[C@H](O)[C@H](C)O"	0	""	""	2	2	"11460721"	NA
"740603"	740603	"Phomopsolide E"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@H]1CCC(=O)[C@H](C)O"	0	""	""	2	1	"45028010"	NA
"740605"	740605	"4-Epi-7-oxo-phomopsolide E"	"C\C=C(/C)\C(=O)O[C@@H]1C=CC(=O)O[C@H]1COC(=O)[C@H](C)O"	0	""	""	1	1	"11231822"	NA
"740606"	740606	"5-epi-phomopsolide D"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@@H]1CC[C@H](O)[C@H](C)O"	0	""	""	3	2	"45028011"	NA
"740608"	740608	"4-Epi-7-aza-phomopsolide E"	"C\C=C(/C)\C(=O)O[C@@H]1C=CC(=O)O[C@H]1CNC(=O)[C@H](C)O"	0	""	""	2	1	"45028013"	NA
"740609"	740609	"5,6-dihydro-6-(3-morpholinyl-1-propyl)-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN4CCOCC4)C(=O)c2c1)c5ccccc5C3=O"	0	""	""	2	2	"17755735"	NA
"740613"	740613	"Imidazole-5-one deri"	"CN1N(C(=O)C(=C1C)N2C(=O)\C(=C/c3ccccc3O)\N=C2c4ccccc4)c5ccccc5"	0	""	""	1	1	"26476967"	NA
"740617"	740617	"imidazole-5-one deri."	"CN(C)c1ccc(\C=C/2\N=C(N(C2=O)C3=C(C)N(C)N(C3=O)c4ccccc4)c5ccccc5)cc1"	0	""	""	2	1	"26476961"	NA
"740618"	740618	"(z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxyb..."	"Oc1ccccc1\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4"	0	""	""	1	1	"45028018"	NA
"740621"	740621	"(z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimeth..."	"COc1ccc(\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4)cc1OC"	0	""	""	1	1	"45028021"	NA
"740623"	740623	"(z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethy..."	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4)cc1"	0	""	""	2	2	"45028023"	NA
"740642"	740642	"3-(9-amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride"	"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4c(N)c5OCOc5c(OC)c34"	0	""	""	1	1	"45028024"	NA
"740643"	740643	"6-(3-azidopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox..."	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	"17756604"	NA
"740644"	740644	"6-(3-bromopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox..."	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	"17755846"	NA
"740645"	740645	"Indenoisoquinoline derivative"	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	"TOP1"	""	2	2	"17755025"	NA
"740646"	740646	"5,6-dihydro-9-methoxy-6-(3-morpholino-1-propyl)-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN5CCOCC5"	0	""	""	2	2	"17755858"	NA
"740647"	740647	"5,6-dihydro-9-methoxy-6-(3-dimethylamino-1-propyl)-5,11-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN(C)C"	0	""	""	2	2	"17755977"	NA
"740648"	740648	"5,6-dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCn5ccnc5"	0	""	""	2	2	"17755851"	NA
"740649"	740649	"6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	"17755630"	NA
"740650"	740650	"5,6-dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-9-metho..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCNCCO"	0	""	""	2	2	"17755741"	NA
"740792"	740792	"Fluorobenzofurano[2,3"	"CC12CC[C@H]3[C@@H](CCc4cc5oc6cc(F)ccc6c5cc34)[C@@H]1CCC2O"	0	""	""	1	1	"45028028"	NA
"740799"	740799	"Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate"	"COC(=O)c1ccc(NC(=O)Nc2ccc3OC(=O)c4ccccc4c3c2)cc1"	0	""	""	1	1	"45028029"	NA
"740809"	740809	"12-methyl-2,3-dihydro-12h-imidazo[2',1':4,5][1,3,5]thiad..."	"CC1N2C(=Nc3ccccc13)SC(=S)N4CCN=C24"	0	""	""	1	1	"45028033"	NA
"740814"	740814	"1,4-dimethyl-14-oxa-3-dioxothia-tetracyclo[9.2.1.0.0]tet..."	"CC12OC(C)(C=C1)C3C2c4ccccc4S3(=O)=O"	0	""	""	1	1	"45028036"	NA
"740815"	740815	"7,20-Dimethoxy-4,12-dioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14,16,18,20-octaene"	"COc1ccc2C3Oc4c(cc(OC)c5ccccc45)C3COc2c1"	0	""	""	1	1	"44478252"	NA
"740816"	740816	"3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran"	"COc1ccc2C3Oc4ccc(OC)cc4C3COc2c1"	0	""	""	1	1	"45028037"	"20390016"
"740817"	740817	"6a,11a-dihydro-3-methoxy-6h-benzofuro[3,2-c]chromen-8-ol"	"COc1ccc2C3Oc4ccc(O)cc4C3COc2c1"	0	""	""	1	1	"45028038"	NA
"740825"	740825	"(+)-membrenone b"	"CCC(=O)O[C@@H]([C@H](C)[C@H]1OC(=C(C)C(=O)[C@@H]1C)CC)[C@@H](C)C(=O)CC"	0	""	""	1	1	"45028040"	"152273820"
"740838"	740838	"ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc(O)c4[nH]c(Cc5ccccc5)nc34"	0	""	""	2	2	"45028042"	NA
"740840"	740840	"ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc(O)c4[nH]c(Cc5ccccc5)nc34"	0	""	""	1	1	"45028044"	NA
"740842"	740842	"Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc4OC(=O)C(=O)n5c(Cc6ccccc6)nc3c45"	0	""	""	1	1	"45028046"	NA
"740844"	740844	"4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile"	"COc1ccc(cc1)N2C(=C(C#N)C34C(=O)N(C(=O)C3=C(O)C=CC24O)c5ccccc5)C"	0	""	""	1	1	"54746663"	NA
"740845"	740845	"5-[2-(pyridin-2-yl)ethynyl]-6-(3,4,5-trimethoxyphenyl)-2..."	"COc1cc(cc(OC)c1OC)C2=C(C=CC(=O)O2)C#Cc3ccccn3"	0	""	""	2	2	"45028049"	NA
"740846"	740846	"6-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1F)C2=C(C=CC(=O)O2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"45028050"	NA
"740932"	740932	"s,s,s-enigmol"	"CCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)N"	0	NA	NA	1	1	"91146015"	NA
"740939"	740939	"1X-0886"	"COc1ccc2[nH]cc(\C=C\3/C(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	"6516560"	NA
"740940"	740940	"(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C\c3c[nH]c4ccccc34)\C(=O)Nc2cc1C"	0	""	""	1	1	"45028054"	NA
"740963"	740963	"IFLab1_001965"	"CSc1ccc(cc1)c2cn3ccsc3n2"	0	""	""	2	2	"1497314"	NA
"740972"	740972	"6-(3-chloropropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)[N+](=O)[O-]"	0	""	""	1	1	"17755850"	NA
"740973"	740973	"6-(3-azidopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	"17756080"	NA
"740974"	740974	"6-(3-azidopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(cc4C3=O)C#N"	0	""	""	1	1	"17755024"	NA
"740975"	740975	"6-(3-chloropropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccc(cc4C3=O)C#N"	0	""	""	1	1	"17756602"	NA
"740988"	740988	"1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one"	"COc1cc(cc(OC)c1OC)C2=CN(C(=O)N2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	"45028070"	NA
"741078"	741078	"Selumetinib"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO"	0	"PK:STK,YK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	3	3	"10127622"	"606143526"
"741083"	741083	"4,5,6-tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-..."	"COc1ccccc1N2CCN(CC(O)COc3c(Br)c(Br)c(Br)c4CC(C)(C)Oc34)CC2"	0	""	""	1	1	"45028081"	NA
"741087"	741087	"6-(o-ethyl-2?-morpholino)-7-(p-methoxycinnamoyl)-3-methy..."	"COC(=O)c1oc2c(C(=O)\C=C\c3ccc(OC)cc3)c(OCCN4CCOCC4)ccc2c1C"	0	""	""	2	2	"45028089"	NA
"741088"	741088	"6-(o-propyl-3?-piperidino)-7-(p-methoxycinnamoyl)-3-meth..."	"COC(=O)c1oc2c(C(=O)\C=C\c3ccc(OC)cc3)c(OCCCN4CCCCC4)ccc2c1C"	0	""	""	2	1	"45028091"	NA
"741096"	741096	"n-{2-chloro-5-[(4-chlorophenyl)sulfonyl]phenyl}-2-hydrox..."	"Oc1c(I)cc(I)cc1C(=O)Nc2cc(ccc2Cl)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	"2832028"	"380309239"
"741106"	741106	"6-(3-aminopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	"17756089"	NA
"741107"	741107	"6-(3-aminopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(cc4C3=O)C#N)[N+](=O)[O-]"	0	""	""	2	2	"17755128"	NA
"741202"	741202	"7,8-diacetoxy-2,6-dimethyl-4-oxo-4h-pyrrolo[3,2,1-ij]qui..."	"CCOC(=O)c1c(C)n2C(=O)C=C(C)c3c(OC(=O)C)c(OC(=O)C)cc1c23"	0	""	""	2	1	"45028122"	NA
"741203"	741203	"2-(5,6-dihydroxy-4-methyl-2-oxo-1,2-dihydro-quinoline-8-..."	"CCOC(=O)\C(=C(\C)/NCC(C)C)\c1cc(O)c(O)c2C(=CC(=O)Nc12)C"	0	""	""	1	1	"45028123"	NA
"741212"	741212	"3,3?-(1h-pyrrole-2,5-diyl)bis(5-chloro-1-methyl-1h-indole)"	"Cn1cc(c2ccc([nH]2)c3cn(C)c4ccc(Cl)cc34)c5cc(Cl)ccc15"	0	""	""	1	1	"45028129"	NA
"741236"	741236	"N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	"CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c4ncccc14"	0	""	""	1	1	"44139298"	NA
"741237"	741237	"8-chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	"CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c4ncccc14"	0	""	""	1	1	"44139299"	NA
"741287"	741287	"6-(phenylethynyl)-5-(3,4,5-trimethoxyphenyl)-2h-pyran-2-one"	"COc1cc(cc(OC)c1OC)C2=C(OC(=O)C=C2)C#Cc3ccccc3"	0	""	""	1	1	"45028146"	NA
"741288"	741288	"6-(phenylethynyl)-5-[(3,4,5-trimethoxyphenyl)ethynyl]-2h..."	"COc1cc(cc(OC)c1OC)C#CC2=C(OC(=O)C=C2)C#Cc3ccccc3"	0	""	""	2	1	"45028147"	NA
"741289"	741289	"5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,4,5-trimetho..."	"COc1ccc(cc1O)C#CC2=C(OC(=O)C=C2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45028148"	NA
"741290"	741290	"5-(3-hydroxy-4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)..."	"COc1ccc(cc1O)C2=C(OC(=O)C=C2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45028149"	NA
"741291"	741291	"6-(3-hydroxy-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)..."	"COc1ccc(cc1O)C2=C(C=CC(=O)O2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45028150"	NA
"741292"	741292	"6-(3-hydroxy-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1O)C2=C(C=CC(=O)O2)C#Cc3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"45028151"	NA
"741293"	741293	"5-(3-hydroxy-4-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1O)C2=C(OC(=O)C=C2)C#Cc3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45028152"	NA
"741296"	741296	"2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one"	"NN1C(=O)c2c(N=C1c3ccc(Cl)cc3)c(nc4ccc(Cl)cc24)c5ccc(Cl)cc5"	0	""	""	1	1	"16126264"	NA
"741299"	741299	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)cc3"	0	""	""	2	2	"45028154"	NA
"741300"	741300	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)c(OC)c3"	0	""	""	2	2	"45028155"	NA
"741321"	741321	"Triazolothiadaizoles"	"COc1ccc(cc1)c2nn3c(nnc3s2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	"24744454"	NA
"741337"	741337	"n2-[2-(3,5-dimethoxy-phenyl)-ethyl]-3-phenyl-quinoxaline..."	"COc1cc(CCNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	"45028164"	NA
"741340"	741340	"12-benzyl-6-dimethylamino-12h-indeno[2',1':4,5]pyrrolo[3..."	"CN(C)c1nc2ccccc2c3c1c4C(=O)c5ccccc5c4n3Cc6ccccc6"	0	""	""	1	1	"45028167"	NA
"741354"	741354	"3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1OC)C2=CN(C(=S)N2)c3ccc(Cl)cc3"	0	""	""	1	1	"44446879"	NA
"741364"	741364	"6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(nc(N3CCOCC3)c2C#N)c4ccc(cc4)N(C)C"	0	""	""	2	2	"45028178"	NA
"741402"	741402	"2-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dienyl..."	"CCCCCCCC\C(=C/C1=C(C)C(=O)C(=C(OC)C1=O)OC)\C(=O)O"	0	""	""	1	1	"45028184"	NA
"741412"	741412	"4-(5'-Bromofuran-2'-yl)-3-bromo-but-3-en-2-one"	"CC(=O)\C(=C\c1oc(Br)cc1)\Br"	0	""	""	2	2	"45028185"	NA
"741425"	741425	"3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4ccc(cc14)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"23635411"	NA
"741428"	741428	"furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-y..."	"[O-][n+]1c(C(=O)c2occc2)c(nc3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"23635780"	NA
"741431"	741431	"furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-..."	"Cc1ccc2c(c1)nc(C(=O)c3occc3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	"54612671"	NA
"741433"	741433	"(1,4-dioxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-naph..."	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4cc(ccc14)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"23635412"	NA
"741437"	741437	"3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	"23635283"	NA
"741440"	741440	"3,3?-furan-2,5-diylbis(5-methoxy-1-methyl-1h-indole)"	"COc1ccc2c(c1)c(cn2C)c3oc(cc3)c4cn(C)c5ccc(OC)cc45"	0	""	""	1	1	"45028187"	NA
"741458"	741458	"1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propo..."	"COc1ccccc1N2CCN(CCCOc3ccc(cc3)C(=O)\C=C/4\C(=O)Nc5ccccc45)CC2"	0	""	""	2	2	"45028190"	NA
"741459"	741459	"(11as)-8-(3-[(11as)-2,2-difluoro-7-methoxy-5-oxo-2,3,5,1..."	"COc1cc2C(=O)N3CC(F)(F)C[C@H]3C=Nc2cc1OCCCOc4cc5N=C[C@@H]6CC(F)(F)CN6C(=O)c5cc4OC"	0	""	""	2	2	"24780427"	NA
"741463"	741463	"1-benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazep..."	"O=C(CCN1CCCN(CC1)c2cnc3ccccc3n2)c4csc5ccccc45"	0	""	""	1	1	"45028192"	NA
"741567"	741567	"Cgp 57380"	"Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12"	0	""	""	1	1	"11644425"	"522629089"
"741584"	741584	"n2-(3,4-dichloro-benzyl)-3-phenyl-quinoxaline-2,5,7-tria..."	"Nc1cc(N)c2nc(c(NCCc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	"45028195"	NA
"741594"	741594	"2-bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline"	"CN(C)c1ccc(cc1Br)c2cn3cc(C)ccc3n2"	0	""	""	1	1	"24756574"	NA
"741604"	741604	"biphenylpurine"	"ClCc1ccc(cc1)c2ccc(Cn3cnc4c(Cl)nc(Cl)nc34)cc2"	0	""	""	1	1	"45028198"	NA
"741615"	741615	"1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one"	"O=C1Nc2ccccc2N1c3n[nH]c4ccccc34"	0	""	""	1	1	"23279830"	NA
"741620"	741620	"ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate"	"CCCC(=O)NNc1[nH]c(cc1C(=O)OCC)c2ccc(OC)cc2"	0	""	""	1	1	"42597063"	NA
"741638"	741638	"Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate"	"COC(=O)\C(=C\c1c[nH]c2ccc(Br)cc12)\Br"	0	""	""	1	1	"45028205"	NA
"741695"	741695	"2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine"	"C(CCCOc1ccc(cc1)C#Cc2ccccc2C#Cc3ccccn3)CCOc4ccc(cc4)C#Cc5ccccc5C#Cc6ccccn6"	0	""	""	2	2	"25198629"	NA
"741738"	741738	"1-(7-methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)c(C)[n+]2[O-]"	0	""	""	1	1	"54612660"	NA
"741739"	741739	"1-(7-chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5..."	"COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc(OC)c1OC"	0	""	""	1	1	"54612661"	NA
"741745"	741745	"1,7-bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1(e)-heptadi..."	"CC1=C(\C=C\C(=O)CC(=O)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1"	0	""	""	1	1	"45028209"	NA
"741769"	741769	"(3Z)-3-[[6-(2-bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"COc1cc(c(Br)c(OC)c1OC)c2nc3sc(C)cn3c2\C=C\4/C(=O)Nc5ccccc45"	0	""	""	1	1	"45028217"	NA
"741773"	741773	"(3Z)-5-bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C\3/C(=O)Nc4ccc(Br)cc34)c(Cl)n(C)c2cc1C"	0	""	""	2	2	"45028220"	NA
"741774"	741774	"(3E)-3-[[2-chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)n(Cc5cc(OC)c(OC)c(OC)c5)c2cc1C"	0	""	""	2	2	"45028221"	NA
"741776"	741776	"Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide"	"CCCOC(=O)c1c(C)[n+](C)c2sccn12"	0	""	""	1	1	"10499110"	NA
"741799"	741799	"(3E)-3-[[6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1nc2sccn2c1c3nc4sccn4c3\C=C/5\C(=O)Nc6ccccc56"	0	""	""	1	1	"45028236"	NA
"741850"	741850	"Acyclic trans-Butenebispurine"	"Clc1nc(Cl)c2ncn(C\C=C\Cn3cnc4c(Cl)nc(Cl)nc34)c2n1"	0	""	""	1	1	"45028237"	NA
"741852"	741852	"acyclic cis-butenebispurine"	"Clc1nc(Cl)c2c(ncn2C\C=C/Cn3cnc4c(Cl)nc(Cl)nc34)n1"	0	""	""	1	1	"45028239"	NA
"741853"	741853	"Acyclic Butynebispurine"	"Clc1nc(Cl)c2ncn(CC#CCn3cnc4c(Cl)nc(Cl)nc34)c2n1"	0	""	""	1	1	"45028240"	NA
"741898"	741898	"4-(2-pyridinyl)-5h-1,2,3-dithiazole-5-thione"	"S=C1SSN=C1c2ccccn2"	0	""	""	2	2	"25181424"	NA
"741899"	741899	"BML-277"	"NC(=O)c1ccc2[nH]c(nc2c1)c3ccc(Oc4ccc(Cl)cc4)cc3"	0	"PK:CHEK,CHEK2"	"Clinical trial"	3	2	"9969021"	"516480798"
"741908"	741908	"1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde"	"Clc1cccc(Cn2cc(C=O)c3ccccc23)c1"	0	""	""	2	2	"775540"	"90815013"
"741909"	741909	"1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-"	"OCc1cn(Cc2ccc(Cl)cc2)c3ccccc13"	0	""	""	3	3	"11821732"	"92407915"
"741910"	741910	"2,2'-[1,5-pentanediylbis(oxy-1,4-phenylene)]bis-1h-benzi..."	"C(CCOc1ccc(cc1)c2nc3ccccc3[nH]2)CCOc4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	2	2	"25010379"	NA
"741911"	741911	"2,2'-[1,5-pentanediylbis(oxy-1,3-phenylene)]bis-1h-benzi..."	"C(CCOc1cccc(c1)c2nc3ccccc3[nH]2)CCOc4cccc(c4)c5nc6ccccc6[nH]5"	0	""	""	1	1	"25255579"	NA
"741916"	741916	"4,4'-[n-(2-iminoethylene) n-methyl imino)benzenecarboxim..."	"CN(CCNc1ccc(cc1)C(=N)N)c2ccc(cc2)C(=N)N"	0	""	""	1	1	"45028251"	NA
"741940"	741940	"N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	"COc1cc(cc(OC)c1OC)C2=NNC(C2)c3ccc(cc3)N(C)C"	0	""	""	1	1	"45028258"	NA
"741942"	741942	"5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1cccc(c1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"45028260"	NA
"741943"	741943	"N,N-diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	"CCN(CC)c1ccc(cc1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45028261"	NA
"742018"	742018	"illudin m linked to \"fleximer\""	NA	0	NA	NA	2	1	"91145248"	NA
"742020"	742020	"Ethoxycurcumin trithiadiazolaminomethylcarbonte"	"CCOc1cc(\C=C\C(=O)C(C(=O)CNc2nnc(C)s2)C(=O)\C=C\c3ccc(OC(=O)CNc4nnc(C)s4)c(OCC)c3)ccc1OC(=O)CNc5nnc(C)s5"	0	""	""	2	2	"45028266"	NA
"742022"	742022	"Curcumin tri trithiadiazolaminoethylcarbonate"	"COc1cc(\C=C\C(=O)C(C(=O)CCNc2nnc(C)s2)C(=O)\C=C\c3ccc(OC(=O)CCNc4nnc(C)s4)c(OC)c3)ccc1OC(=O)CCNc5nnc(C)s5"	0	""	""	2	1	"45028268"	NA
"742027"	742027	"1,7-bis(4-(n,n-diethylaminoethylaminoacetyloxy)-3-ethoxy..."	"CCOc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC(=O)CNCCN(CC)CC)c(OCC)c2)ccc1OC(=O)CNCCN(CC)CC"	0	""	""	1	1	"45028273"	NA
"742033"	742033	"methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9h-pyrido[3,4-..."	"COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4nc5ccccc5cc4CO"	0	""	""	1	1	"23584224"	NA
"742035"	742035	"methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4nc5cc(N(S(=O)(=O)c6ccc(C)cc6)S(=O)(=O)c7ccc(C)cc7)c(OC)cc5cc4CO"	0	""	""	1	1	"45028275"	NA
"742036"	742036	"Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-7-methoxy-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate"	"COC(=O)c1cc2c3ccccc3n4C(=O)c5cc6cc(OC)c(cc6nc5c(n1)c24)N(S(=O)(=O)c7ccc(C)cc7)S(=O)(=O)c8ccc(C)cc8"	0	""	""	1	1	"45028276"	NA
"742037"	742037	"Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate"	"COC(=O)c1cc2c3ccccc3n4Cc5c(O)c6ccccc6nc5c(n1)c24"	0	""	""	1	1	"45028277"	NA
"742066"	742066	"6-(4-methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cc(Cl)cc(Cl)c4Cl"	0	""	""	2	2	"24874170"	NA
"742071"	742071	"6-(4-chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Clc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cc(Cl)cc(Cl)c4Cl"	0	""	""	1	1	"24874046"	NA
"742088"	742088	"aminothiadiazines"	"COc1ccc(NC2=Nn3c(SC2)nnc3c4cc(F)c(Cl)cc4Cl)cc1"	0	""	""	1	1	"135550831"	NA
"742096"	742096	"hydroxy pyrazolines"	"COc1ccc(cc1OC)C2=NN(C(=O)COc3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	2	2	"16111793"	NA
"742146"	742146	"bisarylpurine"	"Clc1nc(Cl)c2ncn(Cc3ccc(COc4cccc(OCc5ccc(Cn6cnc7c(Cl)nc(Cl)nc67)cc5)c4)cc3)c2n1"	0	""	""	1	1	"45028308"	NA
"742149"	742149	"bisarylpurine"	"Clc1nc(Cl)c2ncn(Cc3cccc(COc4cccc(OCc5cccc(Cn6cnc7c(Cl)nc(Cl)nc67)c5)c4)c3)c2n1"	0	""	""	1	1	"45028311"	NA
"742150"	742150	"terpyridine platinum(ii) purine complex, tetrafluorobora..."	"Nc1c2ncn(C\C=C\CO)c2nc[n+]1[Pt+2]34[n+]5ccccc5c6cccc(c7cccc[n+]37)[n+]46.[F-][B+3]([F-])([F-])[F-]"	0	NA	NA	1	1	"91146461"	NA
"742219"	742219	"1-phenyl-5-[5-(3-trifluoromethylphenyl)-1h-pyrazol-4-yl]..."	"FC(F)(F)c1cccc(c1)c2[nH]ncc2c3nnnn3c4ccccc4"	0	""	""	1	1	"135659246"	NA
"742222"	742222	"3-amino-6-(3-chloropropyl)-5,6-dihydro-9-methoxy-5,11-di..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(N)cc4C(=O)N3CCCCl"	0	""	""	2	1	"45028325"	NA
"742253"	742253	"8-(4-amino-1-methylbutyl)-amino-4-methyl-5,6-dimethoxyqu..."	"COc1cc(NC(C)CCCN)c2nccc(C)c2c1OC"	0	""	""	1	1	"45028339"	NA
"742254"	742254	"8-(4-amino-1-methylbutyl)-amino-4-methyl-5,6-dihydroxyqu..."	"CC(CCCN)Nc1cc(O)c(O)c2c(C)ccnc12"	0	""	""	1	1	"135492375"	NA
"742256"	742256	"8-(4-amino-1-methylbutyl)amino-2-methyl-5,6-dihydroxyqui..."	"CC(CCCN)Nc1cc(O)c(O)c2ccc(C)nc12"	0	""	""	2	2	"135958398"	NA
"742258"	742258	"n1-[ 4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinaz..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ncnc4ccccc34)c(c1)C(=O)c5ccccc5Cl"	0	""	""	2	2	"25030791"	NA
"742259"	742259	"n1-(9h-9-fluorenyl)-2-amino-4-(benyloxy)-5-methoxy benza..."	"COc1cc(C(=O)NC2c3ccccc3c4ccccc24)c(N)cc1OCc5ccccc5"	0	""	""	2	2	"25014686"	NA
"742293"	742293	"(11as)-8-4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy-7-me..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	2	1	"45028353"	NA
"742294"	742294	"(11as)-8-4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]b..."	"COc1cc(ccc1OCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)c5nc6ccccc6s5"	0	""	""	2	1	"45028354"	NA
"742295"	742295	"(11as)-8-(5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentyloxy)..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCOc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	2	1	"45028355"	NA
"742296"	742296	"(11as)-8-(5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]..."	"COc1cc(ccc1OCCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)c5nc6ccccc6s5"	0	""	""	2	2	"24881122"	NA
"742306"	742306	"1,6-dimethoxyphenanzine di-n-oxide"	"COc1cccc2c1[n+]([O-])c3cccc(OC)c3[n+]2[O-]"	0	""	""	1	1	"15957527"	"13925116"
"742307"	742307	"1,6-dimethoxyphenazine mono-n-oxide"	"COc1cccc2c1nc3cccc(OC)c3[n+]2[O-]"	0	""	""	1	1	"15957526"	"13925105"
"742308"	742308	"1-piperidinecarboxamide, n-(1,2-ethanediyl)-4-[[[10-(4-c..."	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N\CC5CCN(CC5)C(=O)N6CC6)c7ccc(Cl)cc7)cc1"	0	""	""	2	2	"15957528"	NA
"742327"	742327	"(3-difluoromethyl-6,7-dimethyl-1,4-dioxy-quinoxalin-2-yl..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)c3ccccc3)c(C(F)F)[n+]2[O-]"	0	""	""	1	1	"54612713"	NA
"742343"	742343	"6-(3-chloropropyl)-5,6-dihydro-9-methoxy-3-dimethylamino..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)N(C)C"	0	""	""	1	1	"45028367"	NA
"742344"	742344	"6-(3-azidopropyl)-5,6-dihydro-9-methoxy-3-dimethylamino-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])N(C)C"	0	""	""	1	1	"45028368"	NA
"742345"	742345	"3-amino-6-(3-azidopropyl)-5,6-dihydro-9-methoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(N)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	"45028369"	NA
"742350"	742350	"Peptide PTD"	"NCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O"	0	""	""	1	1	"45028373"	NA
"742380"	742380	"cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)"	"NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)CNC(=O)[C@H](Cc4ccccc4)NC1=O"	0	"HDAC"	""	2	1	"16083382"	NA
"742384"	742384	"deca-N-(S)-1-phenyl ethyl b-Ala"	"CC(NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)[C@H](C)c1ccccc1)[C@H](C)c2ccccc2)[C@H](C)c3ccccc3)[C@H](C)c4ccccc4)[C@H](C)c5ccccc5)[C@H](C)c6ccccc6)[C@H](C)c7ccccc7)[C@H](C)c8ccccc8)[C@H](C)c9ccccc9)c%10ccccc%10"	0	""	""	2	2	"45028382"	NA
"742410"	742410	"5- fluoro-2'-deoxyuridyly-(3'->5')-3'-c-ethynylcytosine"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)C(O)(C#C)C2O"	0	""	""	2	2	"45028394"	NA
"742412"	742412	"n1-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(11as)-7-methoxy..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCC(=O)Nc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	1	1	"45028395"	NA
"742413"	742413	"Prodigiosine methyl ketone"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)C)c3ccc[nH]3"	0	""	""	2	2	"135540840"	NA
"742414"	742414	"c4 ester, carbonyl adjacent to prodigiosine, hcl salt"	"COC(=O)CCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135540853"	NA
"742415"	742415	"C2 carbonyl plus ester, prodigiosine"	"COC(=O)CCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135540843"	NA
"742416"	742416	"c4, carbonyl, ethyl prodigiosine"	"CCc1c(C)c(\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)OC)[nH]c1c3ccc[nH]3"	0	""	""	2	2	"135540855"	NA
"742417"	742417	"C8, carbonyl prodigiosine"	"COC(=O)CCCCCCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135540857"	NA
"742418"	742418	"ethyl, methoxy, prodigisine"	"CCC1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135829283"	NA
"742419"	742419	"Bare prodigiosine"	"COc1cc([nH]c1\C=C/2\C=CC=N2)c3ccc[nH]3"	0	""	""	2	2	"135829284"	NA
"742420"	742420	"Ethylester prodigiosine"	"CCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"135540850"	NA
"742543"	742543	"naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-met..."	"Cc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	""	""	2	1	"15813981"	"192653864"
"742544"	742544	"naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-chl..."	"Clc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	""	""	2	2	"19610848"	"110178308"
"742550"	742550	"5h-imidazo[2,1-a]isoindole, 5-(2,4-dichlorophenyl)-"	"Clc1ccc(C2c3ccccc3c4nccn24)c(Cl)c1"	0	""	""	2	2	"12908673"	"81450604"
"742553"	742553	"pyrido[2',3':4,5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,..."	"COCCOCCOCCOCCOc1ccc2N3C(=O)c4cccnc4N=C3C(=O)c2c1"	0	""	""	1	1	"45028403"	NA
"742554"	742554	"BAS100 Monohydrate"	"C\C(=C/COc1c2CCOc2cc3OC4(OC(CC\C(=C\COc5c6C=CC(=O)Oc6cc7occc57)\C)C(C)(C)O4)C=Cc13)\CCC(O)C(C)(C)O"	0	""	""	1	1	"45028404"	NA
"742611"	742611	"N-(2-aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(n4)C(F)(F)F"	0	"HDAC"	""	1	1	"45028413"	NA
"742621"	742621	"4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2ncc3c(Nc4ccccc4)ncnc23"	0	""	""	1	1	"42612133"	NA
"742629"	742629	"ethylenediaminetetraacetic acid bis-(5-amino salicylic a..."	"COC(=O)c1cc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2ccc(O)c(c2)C(=O)OC)CC(=O)O)ccc1O"	0	""	""	1	1	"10077122"	NA
"742790"	742790	"3,5-dimethyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyr..."	"CN1N=Nc2c(N(C)C1=O)n(nc2C(F)(F)F)c3ccccc3"	0	""	""	2	1	"25148595"	NA
"742792"	742792	"n-1h-indazol-3-yl-3-methyl-4-nitro-1h-pyrazole-5-carboxa..."	"Cc1n[nH]c(C(=O)Nc2n[nH]c3ccccc23)c1[N+](=O)[O-]"	0	""	""	2	1	"45028419"	NA
"742793"	742793	"1-[(3-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]-1h-indazo..."	"Cc1n[nH]c(C(=O)n2nc(N)c3ccccc23)c1[N+](=O)[O-]"	0	""	""	2	1	"45028420"	NA
"742794"	742794	"1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea"	"Brc1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1"	0	""	""	2	2	"25197647"	NA
"742796"	742796	"1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1h-indazol-3-y..."	"Fc1ccc(cc1NC(=O)Nc2n[nH]c3ccccc23)C(F)(F)F"	0	""	""	1	1	"25197520"	NA
"742797"	742797	"1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea"	"FC(F)(F)Oc1ccccc1NC(=O)Nc2n[nH]c3ccccc23"	0	""	""	1	1	"25197926"	NA
"742798"	742798	"1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea"	"COc1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1"	0	""	""	1	1	"25197519"	NA
"742799"	742799	"3-Amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide"	"Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccccc14"	0	""	""	1	1	"25197651"	NA
"742801"	742801	"3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide"	"CCCCOc1ccc(NC(=O)n2nc(N)c3ccccc23)cc1"	0	""	""	2	2	"25199443"	NA
"742803"	742803	"3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide"	"COc1ccccc1NC(=O)n2nc(N)c3ccccc23"	0	""	""	2	2	"25197780"	NA
"742804"	742804	"3-amino-n-(4-phenoxyphenyl)-5-phenyl-1h-pyrazole-1-carbo..."	"Nc1cc(c2ccccc2)n(n1)C(=O)Nc3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	"45028421"	NA
"742825"	742825	"n-[2-(4-chloroanilino)-1-methyl-2-oxoethoxy]-3,5-bis(tri..."	"CC(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc2ccc(Cl)cc2"	0	""	""	2	1	"2726015"	NA
"742838"	742838	"SMA-838 (HCl salt of NSC 188491)"	"NNc1c(C(=O)N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	"45028430"	"164932836"
"742840"	742840	"4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	"COc1ccc(cc1)c2csc(n2)c3cc(Cl)cc(Cl)c3Cl"	0	""	""	1	1	"24814781"	NA
"742842"	742842	"4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	"Clc1cc(Cl)c(Cl)c(c1)c2nc(cs2)c3cccnc3"	0	""	""	1	1	"24814783"	NA
"742849"	742849	"N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide"	"CCCCCCCCCCCCOC1C(CNC(=O)C2OC3OC(C)(C)OC3C2NC(=O)CN4CCN(CC4)c5ccccn5)OC6OC(C)(C)OC16"	0	""	""	2	1	"45028435"	NA
"742851"	742851	"[2-[[6-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C(O)CO)C4OC(C)(C)OC34)OC(=O)Nc5ccccc5"	0	""	""	2	2	"45028437"	NA
"742853"	742853	"1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea"	"CCCCCCCCCCCCOC1C(CNCC2OC3OC(C)(C)OC3C2NC(=O)Nc4ccc(cc4)C(F)(F)F)OC5OC(C)(C)OC15"	0	""	""	2	2	"45028439"	NA
"742855"	742855	"1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]urea"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C4COC(C)(C)O4)C5OC(C)(C)OC35)NC(=O)NS(=O)(=O)c6ccccc6"	0	""	""	2	2	"45028441"	NA
"742856"	742856	"4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoylamino]benzoic acid"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C4COC(C)(C)O4)C5OC(C)(C)OC35)NC(=O)Nc6ccc(cc6)C(=O)O"	0	""	""	1	1	"45028442"	NA
"742857"	742857	"1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylurea"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C(O)CN4CCCCC4)C5OC(C)(C)OC35)NC(=O)Nc6ccccc6"	0	""	""	3	1	"45028443"	NA
"742860"	742860	"N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(CC(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)NS(=O)(=O)c6cc(Cl)cc(Cl)c6"	0	""	""	2	2	"45028446"	NA
"742884"	742884	"2-(nitromethyl)-2-cyclohepten-1-one"	"[O-][N+](=O)CC1=CCCCCC1=O"	0	""	""	1	1	"11095045"	"113526106"
"742906"	742906	"4-amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide"	"CCCN1C(=S)SC(=C1N)C(=O)N\N=C(\C)/c2oc3c(OC)cccc3c2"	0	""	""	1	1	"45028462"	NA
"742925"	742925	"2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile"	"Nc1oc(cc1C#N)c2oc3ccccc3c2"	0	""	""	1	1	"45028480"	NA
"742939"	742939	"LS-39903"	"O=C1Oc2c([nH]c3c2ccc4cnccc34)c5ccccc15"	0	""	""	1	1	"199848"	NA
"742946"	742946	"3-(4-fluorophenyl)-2,5-dihydro-2-oxopyrano[3,2-c]chromen..."	"CC(=O)OC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccc(F)cc4"	0	""	""	1	1	"45028495"	NA
"742947"	742947	"5-hydroxy-3-(7-methoxy-2-oxo-2h-chromen-3-yl)pyrano[3,2-..."	"COc1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4O"	0	""	""	1	1	"45028496"	NA
"742949"	742949	"3-(7-(dimethylamino)-2-oxo-2h-chromen-3-yl)-2,5-dihydro-..."	"CN(C)c1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4OC(=O)C"	0	""	""	1	1	"45028498"	NA
"742950"	742950	"3-(7-(dimethylamino)-2-oxo-2h-chromen-3-yl)-5-hydroxypyr..."	"CN(C)c1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4O"	0	""	""	1	1	"45028499"	NA
"743045"	743045	"(2R,3S,5S)-5-(ethylsulfanylmethyl)-2,3-diphenyloxolan-3-ol"	"CCSC[C@@H]1C[C@@](O)([C@H](O1)c2ccccc2)c3ccccc3"	0	""	""	3	2	"45028501"	NA
"743047"	743047	"(2R,3S,5S)-5-(ethylsulfanylmethyl)-2,3-bis(4-fluorophenyl)oxolan-3-ol"	"CCSC[C@@H]1C[C@@](O)([C@H](O1)c2ccc(F)cc2)c3ccc(F)cc3"	0	""	""	2	1	"24901217"	NA
"743061"	743061	"4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride"	"CN(CCN1CCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	3	1	"45028511"	NA
"743063"	743063	"4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride"	"CN(CCCN1CCCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	1	1	"45028514"	NA
"743065"	743065	"2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CC(C)N(CCCN(C)C)Cc1cc(I)cc(C)c1O"	0	""	""	1	1	"45028517"	NA
"743066"	743066	"2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(C)CCN(C)Cc1cc(I)cc(C)c1O"	0	""	""	2	2	"45028519"	NA
"743067"	743067	"2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(C)CCNCc1cc(I)cc(C)c1O"	0	""	""	2	2	"45028521"	NA
"743071"	743071	"2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CCN(CCCN(C)C)Cc1cc(I)cc(C)c1O"	0	""	""	1	1	"45028529"	NA
"743072"	743072	"2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CCCN(CCC)CCCNCc1cc(I)cc(C)c1O"	0	""	""	1	1	"45028531"	NA
"743073"	743073	"2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(CCCN1CCCCCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	2	1	"45028533"	NA
"743102"	743102	"N-(p-Fluorobenzoyl)-Paclitaxel"	"COC(=O)[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(F)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	"45028539"	NA
"743120"	743120	"1n-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{ [2-tert-bu..."	"CC(C)(C)c1cn2cccc(C(=O)N3CCN(CC(=O)Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)CC3)c2n1"	0	""	""	1	1	"25030564"	NA
"743121"	743121	"(11as)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propo..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	"45028540"	NA
"743122"	743122	"n1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11as)-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCN4CCN(CC(=O)Nc5ccc(Cl)cc5C(=O)c6ccccc6Cl)CC4"	0	""	""	2	2	"45028541"	NA
"743134"	743134	"n1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11as)-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCN4CCN(CC(=O)Nc5ccc(Cl)cc5C(=O)c6ccccc6Cl)CC4"	0	""	""	2	2	"45028547"	NA
"743135"	743135	"(11as)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pent..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	"45028548"	NA
"743185"	743185	"1,4-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane"	"COc1c(OCCCCOc2c(OC)c3occc3c(OC)c2C(=O)C)c(C(=O)C)c(OC)c4ccoc14"	0	""	""	2	1	"10239474"	NA
"743186"	743186	"5,5'-difluoro-3,3'-dithiobisindole"	"Fc1ccc2[nH]cc(SSc3c[nH]c4ccc(F)cc34)c2c1"	0	""	""	1	1	"45028549"	NA
"743215"	743215	"1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,6-dimethyl-2..."	"COc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc4ccccc4)C2=O)cc1Cl"	0	""	""	1	1	"1194828"	NA
"743216"	743216	"1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,6-dimethyl-2..."	"Cc1cc(C)nc(SC2=C(Nc3cc(Cl)ccc3O)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	"16254141"	NA
"743218"	743218	"ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5h-[..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3cccc(c3)C(=O)OCC)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	"1426141"	NA
"743219"	743219	"n2,n3-di(4-fluorophenyl)-5-oxo-7-propyl-5h-[1,3]thiazolo..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccc(F)cc3)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	"1426143"	NA
"743220"	743220	"n2-(4-fluorophenyl)-n3-(2-methoxyphenyl)-5-oxo-7-propyl-..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccccc3OC)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	"1426145"	NA
"743221"	743221	"n3-(4-chloro-3-methylphenyl)-n2-(4-fluorophenyl)-5-oxo-7..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccc(Cl)cc3C)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	"1426152"	NA
"743223"	743223	"1-benzyl-3-(3-chloroanilino)-4-(4,6-dimethyl-2-pyrimidin..."	"Cc1cc(C)nc(SC2=C(Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	"1492226"	NA
"743224"	743224	"1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,6-dimethyl-2-..."	"Cc1cc(C)nc(SC2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	"1194823"	NA
"743227"	743227	"2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dioxo-2,5-dihyd..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccccc3Cl)C(=O)N(C4CCCCC4)C1=O"	0	""	""	1	1	"1676327"	NA
"743244"	743244	"11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one"	"CCN1CC2=Nc3sc(C)c(C)c3C(=O)N2C=C1C"	0	""	""	1	1	"45028557"	NA
"743247"	743247	"Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate"	"COc1cc2N=C3SC(=C(N3C(=O)c2cc1OC)C(=O)Nc4ccc(Cl)cc4C)C(=O)Nc5ccc(cc5)C(=O)OC(C)C"	0	""	""	1	1	"45028560"	NA
"743264"	743264	"Z223639776"	"Nc1c(c2nc(C#N)c(nc2n1CCCN3CCOCC3)C#N)S(=O)(=O)c4ccc(Cl)cc4"	0	""	""	1	1	"17549916"	NA
"743265"	743265	"Z223639760"	"Nc1c(c2nc(C#N)c(nc2n1Cc3cccnc3)C#N)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"17549909"	NA
"743267"	743267	"Z99600124"	"Nc1c(c2nc(C#N)c(nc2n1Nc3cccc(Cl)c3)C#N)S(=O)(=O)c4ccc(Cl)cc4"	0	""	""	2	1	"1640087"	NA
"743268"	743268	"Z223639762"	"Cn1c(nc2ccccc12)c3c(N)n(CCCN4CCOCC4)c5nc(C#N)c(nc35)C#N"	0	""	""	2	2	"17549910"	NA
"743270"	743270	"5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	"NC1=C(C(=O)CN1c2cc(Cl)cc(Cl)c2)c3nc4ccccc4s3"	0	""	""	1	1	"135398754"	NA
"743271"	743271	"Z223639772"	"COc1ccc(CN2C(=O)C(=C(Nc3cccc(c3)C(F)(F)F)C2=O)Cl)cc1"	0	""	""	1	1	"17549914"	NA
"743272"	743272	"Z55430962"	"NC1=C(C(=O)CN1CC2CCCO2)c3nc(cs3)c4ccc(Br)cc4"	0	""	""	1	1	"135452249"	NA
"743274"	743274	"Z55545006"	"NC1=C(C(=O)CN1Cc2cccnc2)c3nc(cs3)c4ccc(Br)cc4"	0	""	""	1	1	"135521118"	NA
"743319"	743319	"2,3-bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-..."	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	"16730269"	NA
"743364"	743364	"5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde"	"O=Cc1c[nH]c2ccc(cc12)c3csc4ccccc34"	0	""	""	1	1	"4187155"	NA
"743380"	743380	"1h-indole-3-methanol, 1-[(3-chlorophenyl)methyl]-"	"OCc1cn(Cc2cccc(Cl)c2)c3ccccc13"	0	""	""	3	3	"13288729"	"92407904"
"743396"	743396	"7-benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one"	"O=C(\C=C\c1nnc2N(Cc3ccccc3)C(=O)c4c5CCCCc5sc4n12)c6ccccc6"	0	""	""	2	2	"45028585"	NA
"743399"	743399	"3-benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one"	"Brc1ccc(\C=N\NC2=Nc3sc4CCCCc4c3C(=O)N2Cc5ccccc5)cc1"	0	""	""	1	1	"45028588"	NA
"743402"	743402	"Z18701173"	"O=C(COC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc23)Nc4sccc4C#N"	0	""	""	1	1	"4603586"	NA
"743408"	743408	"Z24759926"	"CCc1ccc(NC(=O)COC(=O)c2cc(ccc2Sc3nnnn3C)[N+](=O)[O-])cc1"	0	""	""	1	1	"4853660"	NA
"743411"	743411	"2-[(4E)-4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid"	"CCOc1ccc(cc1)S(=O)(=O)\N=C\2/C=C(SCC(=O)O)C(=O)c3ccccc23"	0	""	""	1	1	"6022733"	NA
"743413"	743413	"N-(4-Methoxyphenyl)-all-trans-retinamide"	"COc1ccc(NC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1"	0	""	""	1	1	"6385696"	NA
"743414"	743414	"Imatinib"	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1"	0	"BCR-ABL|PK:YK"	"FDA approved"	3	3	"-1"	"152459955"
"743430"	743430	"2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1h-benzo[d]imidaz..."	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc(OCCCCN5CCN(CCCCN6C(=O)c7cccc8cccc(C6=O)c78)CC5)cc4"	0	""	""	1	1	"44218964"	NA
"743431"	743431	"2-{4-[4-(4-{4-[6-morpholino-1h-benzo[d]imidazole-2-yl]ph..."	"O=C1N(CCCCN2CCN(CCCCOc3ccc(cc3)c4nc5ccc(cc5[nH]4)N6CCOCC6)CC2)C(=O)c7cccc8cccc1c78"	0	""	""	1	1	"44219117"	NA
"743432"	743432	"2-{5-[4-(5-{4-[6-morpholino-1h-benzo[d]imidazole-2-yl]ph..."	"O=C1N(CCCCCN2CCN(CCCCCOc3ccc(cc3)c4nc5ccc(cc5[nH]4)N6CCOCC6)CC2)C(=O)c7cccc8cccc1c78"	0	""	""	2	2	"44219118"	NA
"743433"	743433	"8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,3,5,11-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	"45028589"	NA
"743434"	743434	"8-(4-{5-[3-(4-fluoro phenyl)-3-oxo-1-prophenyl]-2-methox..."	"COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1OCCCCCOc3cc4N=CC5CCCN5C(=O)c4cc3OC"	0	""	""	2	2	"45028590"	NA
"743435"	743435	"n1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5,5-dioxo-10-ph..."	"COc1ccc2nc(NC(=O)CSc3nnc4N(c5ccccc5)c6ccccc6S(=O)(=O)n34)sc2c1"	0	""	""	1	1	"42643013"	NA
"743479"	743479	"7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one"	"Brc1ccc(cc1)c2nnc3N(Cc4ccccc4)C(=O)c5c6CCCCc6sc5n23"	0	""	""	1	1	"45028599"	NA
"743504"	743504	"2-[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	"45028623"	NA
"743506"	743506	"n-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3h)-yl..."	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nc5ccccc5s4"	0	""	""	2	2	"45028625"	NA
"743507"	743507	"2-[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nc5CCCCc5s4"	0	""	""	2	2	"45028626"	NA
"743508"	743508	"2-[3-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C/2\Oc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	"45028627"	NA
"743513"	743513	"(2Z,4Z)-N-[(E)-3-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)prop-1-enyl]hepta-2,4-dienamide"	"CC\C=C/C=C\C(=O)N\C=C\CC1Cc2cccc(O)c2C(=O)O1"	0	""	""	1	1	"24878848"	NA
"743528"	743528	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one"	"COc1cccc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)c1"	0	""	""	2	2	"45028634"	NA
"743529"	743529	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)cc1"	0	""	""	1	1	"45028635"	NA
"743530"	743530	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)cc(OC)c1OC"	0	""	""	2	2	"45028636"	NA
"743532"	743532	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"O=C(\C=C\c1occc1)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2"	0	""	""	2	2	"45028638"	NA
"743533"	743533	"(E)-1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	"CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)cc2)cc1"	0	""	""	1	1	"45028639"	NA
"743534"	743534	"(2E,4E)-1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)cc2"	0	""	""	1	1	"45028640"	NA
"743549"	743549	"2',2'' - [(acridin-3,6-diyl)diimino]- 3',3'' - dipropyl ..."	"CCCN1C(=O)CS/C/1=N\c2ccc3cc4ccc(cc4nc3c2)\N=C\5/SCC(=O)N5CCC"	0	""	""	1	1	"45028644"	NA
"743556"	743556	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione"	"CCCCC#CC1=C(I)N(C2OC(CO[Si](C)(C)C(C)(C)C)C3OC(C)(C)OC23)C(=O)NC1=O"	0	""	""	1	1	"45028649"	NA
"743557"	743557	"1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil"	"CN1C(=O)NC(=O)C(=C1I)C#C[Si](C)(C)C"	0	""	""	1	1	"45028650"	NA
"743558"	743558	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)N3C(=O)NC(=O)C(=C3I)C#C"	0	""	""	1	1	"45028651"	NA
"743559"	743559	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)N3C(=O)NC(=O)C(=C3I)C#C[Si](C)(C)C"	0	""	""	1	1	"45028652"	NA
"743561"	743561	"1-Methyl-5-(1-hexynyl)-6-iodouracil"	"CCCCC#CC1=C(I)N(C)C(=O)NC1=O"	0	""	""	1	1	"15476976"	NA
"743562"	743562	"3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione"	"CCCCC#CC1=C(I)N(C2OC(CO[Si](C)(C)C(C)(C)C)C3OC(C)(C)OC23)C(=O)N(C(=O)c4ccccc4)C1=O"	0	""	""	1	1	"45028654"	NA
"743564"	743564	"2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide"	"CNC(=O)NCC1OC(C(O[Si](C)(C)C(C)(C)C)C1CC(=O)N(C)OC)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	2	2	"45028656"	NA
"743565"	743565	"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate"	"CCOC(=O)CC1C(CNC(=O)NC)OC(C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	1	1	"45028657"	NA
"743568"	743568	"5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione"	"CN1C(=O)NC(=O)C(=C1I)C#CCO[Si](C)(C)C(C)(C)C"	0	""	""	2	2	"45028660"	NA
"743640"	743640	"n1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-  furylc..."	"Clc1ccc(NC(=O)CN2CCN(CC2)C(=O)c3occc3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	"45028671"	NA
"743641"	743641	"(e)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-meth..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCN4CCN(CC4)C(=O)c5occc5"	0	""	""	1	1	"45028672"	NA
"743688"	743688	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc(C)c(C)s4)c3)\Oc2c1"	0	""	""	2	2	"45028676"	NA
"743690"	743690	"N-(1,3-benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc5ccccc5s4)c3)\Oc2c1"	0	""	""	2	2	"45028678"	NA
"743691"	743691	"2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc5CCCCc5s4)c3)\Oc2c1"	0	""	""	2	2	"45028679"	NA
"743693"	743693	"(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3ccc(OCC(=O)c4ccc(Cl)cc4)cc3)\C(=O)c2c1"	0	""	""	1	1	"45028681"	NA
"743694"	743694	"(2Z)-5-methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2c1"	0	""	""	1	1	"45028682"	NA
"743695"	743695	"2-[4-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"COc1ccc2O\C(=C/c3ccc(OCC(=O)Nc4nccs4)cc3)\C(=O)c2c1"	0	""	""	2	2	"45028683"	NA
"743696"	743696	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)Nc4nc(C)c(C)s4)c3)\C(=O)c2c1"	0	""	""	2	2	"45028684"	NA
"743851"	743851	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile"	"Nc1nc(cc(c2ccccc2)c1C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"45028692"	NA
"743852"	743852	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile"	"COc1cccc(c1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	"45028693"	NA
"743853"	743853	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	"45028694"	NA
"743854"	743854	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile"	"CN(C)c1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"45028695"	NA
"743862"	743862	"(E)-3-(4-chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one"	"Clc1ccc(\C=C\C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1"	0	""	""	2	2	"25113941"	NA
"743863"	743863	"(E)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1"	0	""	""	2	2	"13432181"	NA
"743864"	743864	"(E)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"Clc1ccc2c(Nc3ccc(cc3)C(=O)\C=C\c4occc4)ccnc2c1"	0	""	""	1	1	"42631501"	NA
"743868"	743868	"1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone"	"CN(C)c1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(Nc4nc(Nc5ccc(F)cc5)nc(Nc6ccc(F)cc6)n4)cc3"	0	""	""	1	1	"45028699"	NA
"743874"	743874	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"COc1ccc(cc1)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"45028705"	NA
"743876"	743876	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"COc1cc(cc(OC)c1OC)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"45028707"	NA
"743877"	743877	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"CN(C)c1ccc(cc1)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"45028708"	NA
"743880"	743880	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc1"	0	""	""	1	1	"45028711"	NA
"743883"	743883	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	2	2	"45028714"	NA
"743884"	743884	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	"CN(C)c1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc1"	0	""	""	1	1	"45028715"	NA
"743891"	743891	"6-(2-Hydroxy-3-methoxybenzyl)aminopurine-9-riboside"	"COc1cccc(CNc2ncnc3c2ncn3C4OC(CO)C(O)C4O)c1O"	0	""	""	2	2	"45028717"	NA
"743897"	743897	"[(2R,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3ccccc23)[C@@]4(O)C[C@H](CSC#N)OC4=O"	0	""	""	1	1	"24936180"	NA
"743898"	743898	"2-[(2S,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3ccccc23)[C@@]4(O)C[C@H](CC#N)OC4=O"	0	""	""	2	2	"24936179"	NA
"743907"	743907	"N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane"	"CN(CCOc1ccc(cc1)C#N)CCOc2ccc(cc2)C#N"	0	""	""	1	1	"45028719"	NA
"743909"	743909	"1,5-bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-p..."	"Cc1ccc(cc1)S(=O)(=O)N(CCOc2ccc(cc2)\C(=N/Cl)\N)CCOc3ccc(cc3)\C(=N\Cl)\N"	0	""	""	1	1	"45028721"	NA
"743910"	743910	"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)NN)C(F)(F)F"	0	""	""	2	2	"45028722"	NA
"743912"	743912	"2-(5-chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3ccc(cc3)[N+](=O)[O-])C(F)(F)F"	0	""	""	1	1	"45028724"	NA
"743914"	743914	"2-(5-chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cccnc3)C(F)(F)F"	0	""	""	1	1	"45028726"	NA
"743915"	743915	"2-(5-chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cccnc3)C(F)(F)F"	0	""	""	2	2	"45028727"	NA
"743919"	743919	"N-[(E)-(4-nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)cc1"	0	""	""	1	1	"45028731"	NA
"743925"	743925	"N-[(E)-pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3ccncc3)C(F)(F)F)c1"	0	""	""	1	1	"45028737"	NA
"743927"	743927	"GP0210"	"CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c3n1"	0	""	""	1	1	"25190761"	NA
"743957"	743957	"8-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Cc1ccc(cc1)C2=Nc3c(N)ncnc3NC(C2)c4ccc5OCOc5c4"	0	""	""	1	1	"25112165"	NA
"743961"	743961	"6-(1,3-benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Nc1ncnc2NC(CC(=Nc12)c3ccc4OCOc4c3)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	"25110634"	NA
"743962"	743962	"6-(1,3-benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Nc1ncnc2NC(CC(=Nc12)c3ccc4OCOc4c3)c5ccc(Cl)cc5"	0	""	""	1	1	"25110635"	NA
"744016"	744016	"(11as)-7-methoxy-8-4-[2-(2-thienyl)-1h-benzo[d]imidazol-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCn4c(nc5ccccc45)c6cccs6"	0	""	""	1	1	"44226901"	NA
"744020"	744020	"methyl 1-(4-[(11ar)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro..."	"COC(=O)c1ccc2nc(c3cc4ccccc4n3C)n(CCCCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)c2c1"	0	""	""	2	1	"45028743"	NA
"744022"	744022	"(11ar)-7-methoxy-8-(5-[2-( -1h-2-furyl)-1h-benzo[d]imida..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCn4c(nc5ccccc45)c6occc6"	0	""	""	2	2	"25008105"	NA
"744023"	744023	"(11as)-8-(3-{4-[(e)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl..."	"COc1cc(\C=C\C(=O)c2ccccc2O)ccc1OCCCOc3cc4N=C[C@@H]5CCCN5C(=O)c4cc3OC"	0	""	""	2	2	"24863867"	NA
"744025"	744025	"diethyl 2-[4-(5-[(11as)-7-methoxy-5-oxo-2,3,5,11a-tetrah..."	"CCOP(=O)(CCN1CCN(CCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)CC1)OCC"	0	""	""	1	1	"25113728"	NA
"744048"	744048	"2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)Nc4nc5CCCCc5s4)c3)\C(=O)c2c1"	0	""	""	2	2	"45028746"	NA
"744059"	744059	"(3E)-3-[(3-phenacyloxyphenyl)methylidene]chromen-4-one"	"O=C(COc1cccc(\C=C\2/COc3ccccc3C2=O)c1)c4ccccc4"	0	""	""	1	1	"45028754"	NA
"744060"	744060	"(3E)-6-methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"COc1ccc(cc1)C(=O)COc2ccc(\C=C\3/COc4ccc(OC)cc4C3=O)cc2"	0	""	""	1	1	"45028755"	NA
"744061"	744061	"(3E)-6-methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"COc1ccc2OC\C(=C/c3cccc(OCC(=O)c4ccc(cc4)[N+](=O)[O-])c3)\C(=O)c2c1"	0	""	""	2	2	"45028756"	NA
"744062"	744062	"(3E)-6-chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/COc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	"45028757"	NA
"744063"	744063	"2-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/COc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	"45028758"	NA
"744064"	744064	"2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C\2/COc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	"45028759"	NA
"744065"	744065	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide"	"Cc1nc(NC(=O)COc2cccc(\C=C\3/COc4ccccc4C3=O)c2)sc1C"	0	""	""	2	2	"45028760"	NA
"744068"	744068	"(3Z)-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccccc4C3=O)c2"	0	""	""	2	2	"45028763"	NA
"744070"	744070	"2-[4-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/CSc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	"45028765"	NA
"744071"	744071	"2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C\2/CSc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	"45028766"	NA
"744075"	744075	"(3Z)-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(C)cc4C3=O)c2"	0	""	""	1	1	"45028770"	NA
"744076"	744076	"(3Z)-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one"	"Cc1ccc2SC\C(=C/c3cccc(OCC(=O)c4ccc(Cl)cc4)c3)\C(=O)c2c1"	0	""	""	1	1	"45028771"	NA
"744092"	744092	"(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide"	"COc1cc(NC(=O)C2=C(N3CCOCC3)\C(=C\c4ccc(Cl)cc4)\CC2)cc(OC)c1OC"	0	""	""	1	1	"2337642"	NA
"744115"	744115	"(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one"	"COc1cccc(c1)N2C(=O)CC(=C2N)c3nc4ccccc4s3"	0	""	""	1	1	"135892287"	NA
"744116"	744116	"(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one"	"NC1=C(CC(=O)N1c2ccc(SC(F)F)cc2)c3nc4ccccc4s3"	0	""	""	1	1	"135543874"	NA
"744143"	744143	"Z54338316"	"COc1ccccc1NS(=O)(=O)c2ccc3oc(SC(C)C)nc3c2"	0	""	""	1	1	"2339468"	NA
"744144"	744144	"Z26357397"	"COc1ccccc1OCC(=O)Nc2sc3CCCc3c2C(=O)N"	0	""	""	1	1	"2078783"	NA
"744145"	744145	"Z27665932"	"CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	"2079923"	NA
"744152"	744152	"Z29325634"	"Cc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3)s1"	0	""	""	1	1	"3955158"	NA
"744165"	744165	"N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide"	"CCC(=O)Nc1ccccc1C#C\C=C/C#Cc2ccccc2C(F)(F)F"	0	""	""	2	2	"45028777"	NA
"744166"	744166	"N-[2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide"	"CCC(=O)Nc1ccccc1C#C\C=C/C#Cc2ccccc2SC"	0	""	""	1	1	"45028778"	NA
"744168"	744168	"1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one"	"[O-][N+](=O)c1ccc(cc1)C#Cc2ccccc2C#CCCCCN3CCCCC3=O"	0	""	""	1	1	"45028780"	NA
"744170"	744170	"1-[2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one"	"CSc1ccccc1C#C\C=C/C#Cc2ccccc2N3CCCC3=O"	0	""	""	2	1	"45028782"	NA
"744178"	744178	"Z198955462"	"O=S(=O)(N1CCOCC1)c2ccc(NC3=NN=C(CS3)c4c[nH]c5ccccc45)cc2"	0	""	""	1	1	"135528004"	NA
"744206"	744206	"Z18027384"	"Clc1cccc(Cl)c1COC(=O)CC2=NNC(=O)c3ccccc23"	0	""	""	1	1	"2466498"	NA
"744209"	744209	"Z29651365"	"O=C(Nc1nc(cs1)c2c[nH]c3ccccc23)C4=NNC(=O)c5ccccc45"	0	""	""	2	2	"2594324"	NA
"744227"	744227	"6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one"	"COc1cccc(\C=C\C2=Nc3c(cnn3c4ccccc4)C(=O)N2)c1"	0	""	""	2	2	"135433200"	NA
"744231"	744231	"STK534857"	"COc1ccc(cc1OC)n2c(N)c(C(=O)NCCN3CCOCC3)c4nc5ccccc5nc24"	0	""	""	1	1	"1912526"	NA
"744327"	744327	"7-methoxy-8-[(5-2-methoxy-4-[(e)-3-(2,4-dimethyl-3-quino..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"44227294"	NA
"744329"	744329	"(11as)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,2-dimethyl-2h-..."	"COc1cc2OC(C)(C)C=Cc2cc1OCCCN3CCN(CCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	1	"45028794"	NA
"744330"	744330	"(2r,11as)-8- {2-[4-(2-{[(2r,11as)-2-fluoro-7-methoxy-5-o..."	"COc1cc2C(=O)N3C[C@H](F)C[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7C[C@@H](F)CN7C(=O)c6cc5OC)CC4"	0	""	""	2	2	"45028795"	NA
"744331"	744331	"(2r,11as)-8- {2-[4-(2-{[(2r,11as)-c2-di-fluoro-7-methoxy..."	"COc1cc2C(=O)N3CC(F)(F)C[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7CC(F)(F)CN7C(=O)c6cc5OC)CC4"	0	""	""	1	1	"44204058"	NA
"744332"	744332	"(11as)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,4-dihydro-3-qu..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCOc4ccc(cc4)N5C(=Nc6ccccc6C5=O)C"	0	""	""	2	2	"45028796"	NA
"744336"	744336	"(11as)-7-methoxy-8-(4-2-methoxy-4-[5-(3,4,5-trimethoxyph..."	"COc1cc(ccc1OCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)C5=NOC(C5)c6cc(OC)c(OC)c(OC)c6"	0	""	""	2	2	"44224281"	NA
"744338"	744338	"Z-Leu-Leu-Nle-CHO"	"CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O"	0	""	""	2	2	"11754711"	NA
"744449"	744449	"4-morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile"	"S=C1NC(=C(C#N)C(=N1)N2CCOCC2)c3ccccc3"	0	""	""	1	1	"45028809"	NA
"744450"	744450	"6-(2-furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile"	"S=C1NC(=C(C#N)C(=N1)N2CCOCC2)c3occc3"	0	""	""	1	1	"45028810"	NA
"744469"	744469	"3-cyano-3,3-diphenylpropyl 4-(3-[(11as)-7-methoxy-5-oxo-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCN(CC4)C(=S)SCCC(C#N)(c5ccccc5)c6ccccc6"	0	""	""	2	2	"45028821"	NA
"744470"	744470	"3-cyano-3,3-diphenylpropyl 4-(4-[(11as)-7-methoxy-5-oxo-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4CCN(CC4)C(=S)SCCC(C#N)(c5ccccc5)c6ccccc6"	0	""	""	1	1	"45028822"	NA
"744536"	744536	"N-(2-aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(n4)C(F)(F)F"	0	""	""	2	2	"45028828"	NA
"744579"	744579	"6,7-difluoro-3-methyl-1,4-dioxyquinoxaline-2-carboxylic ..."	"COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-])cc1"	0	""	""	1	1	"46885175"	NA
"744607"	744607	"2-(5-chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F"	0	""	""	1	1	"45028829"	NA
"744608"	744608	"2-(5-chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3ccc(Cl)cc3)C(F)(F)F"	0	""	""	1	1	"45028830"	NA
"744609"	744609	"2-(4-chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N\N=C\c3cccc(O)c3)C(F)(F)F"	0	""	""	2	2	"45028831"	NA
"744614"	744614	"N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide"	"FC(F)(F)c1cccc(Nc2ccccc2C(=O)N\N=C\c3ccc(Cl)cc3Cl)c1"	0	""	""	1	1	"45028836"	NA
"744622"	744622	"4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaenoic ..."	"CC(=CCC\C(=C\CC\C(=C\CC\C=C(/C)\CC\C=C(/C)\CCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F)\C)\C)C"	0	""	""	2	2	"45028841"	NA
"744623"	744623	"(3Z)-6-chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	"45028842"	NA
"744624"	744624	"(3Z)-6-chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	"45028843"	NA
"744627"	744627	"(2Z)-2-[[4-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)COc2ccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)cc2"	0	""	""	1	1	"45028846"	NA
"744628"	744628	"(2Z)-2-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	"45028847"	NA
"744629"	744629	"(2Z)-2-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	"45028848"	NA
"744630"	744630	"(2Z)-2-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	"45028849"	NA
"744633"	744633	"(2E)-2-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/COc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	"45028852"	NA
"744635"	744635	"N-[4-[2-[3-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CCc4ccccc4C3=O)c2"	0	""	""	1	1	"45028854"	NA
"744636"	744636	"(2E)-7-methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one"	"COc1ccc2CC\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2c1"	0	""	""	1	1	"45028855"	NA
"744646"	744646	"ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate"	"CCOC(=O)c1sc(NC(=O)COc2cccc(\C=C\3/CCc4cc(OC)ccc4C3=O)c2)nc1C"	0	""	""	1	1	"45028865"	NA
"744647"	744647	"ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate"	"CCOC(=O)c1sc(NC(=O)COc2ccc(\C=C\3/CCc4cc(OC)ccc4C3=O)cc2)nc1C"	0	""	""	2	2	"45028866"	NA
"744650"	744650	"(2E)-5,6-dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one"	"COc1cc2C\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2cc1OC"	0	""	""	1	1	"45028869"	NA
"744656"	744656	"6-(Diethylaminoethyl)diquino-1,4-thiazine"	"CCN(CC)CCN1c2nc3ccccc3cc2Sc4cc5ccccc5nc14"	0	""	""	2	1	"24858011"	NA
"744658"	744658	"6-(p-Toluenesulfonylaminoethyl)diquino-1,4-thiazine"	"Cc1ccc(cc1)S(=O)(=O)NCCN2c3nc4ccccc4cc3Sc5cc6ccccc6nc25"	0	""	""	2	2	"24858161"	NA
"744659"	744659	"6-(Chloroethylureidoethyl)diquino-1,4-thiazine"	"ClCCNC(=O)NCCN1c2nc3ccccc3cc2Sc4cc5ccccc5nc14"	0	""	""	2	2	"24858160"	NA
"744673"	744673	"3-peg fudr   (peg floxuridine)"	"[R]OC(=O)OCC1OC(CC1OC(=O)O[R])N2C=C(F)C(=O)N=C2OC(=O)O[R]"	0	NA	NA	2	2	"91147497"	NA
"744675"	744675	"1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cccc(c1)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	"16257373"	NA
"744677"	744677	"1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc(cc3)N(C)C"	0	""	""	2	2	"45028872"	NA
"744683"	744683	"5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	"COc1cc(Nc2c[nH]nc2c3ccc(Cl)cc3)cc(OC)c1OC"	0	""	""	2	2	"45028878"	NA
"744686"	744686	"1-[5-Phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccccc3"	0	""	""	2	2	"45028881"	NA
"744688"	744688	"1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc(SC)cc3"	0	""	""	1	1	"45028883"	NA
"744693"	744693	"3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole"	"COc1ccc(cc1)C2NN=C3C2CCc4ccccc34"	0	""	""	1	1	"21792363"	NA
"744703"	744703	"n-[4-(4-fluorophenoxy)-3-pyridylsulfonyl]-n'-(3,4-dichlo..."	"Fc1ccc(Oc2ccncc2S(=O)(=O)NC(=O)Nc3ccc(Cl)c(Cl)c3)cc1"	0	""	""	1	1	"45028897"	NA
"744763"	744763	"Miuraenamide A"	"CO\C(=C/1\NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)CCC\C=C(/C)\CCC(C)OC1=O)\c3ccccc3"	0	""	""	2	2	"16080416"	"905982743"
"744860"	744860	"2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile"	"OC(CSc1nc(N2CCOCC2)c(C#N)c(n1)c3ccccc3)CN4CCOCC4"	0	""	""	1	1	"45028927"	NA
"744912"	744912	"Obatoclax"	"COC1=CC(=N/C/1=C\c2[nH]c(C)cc2C)c3cc4ccccc4[nH]3"	0	"Apo|BCL2"	"Clinical trial"	6	2	"45028942"	NA
"744989"	744989	"7-methoxy-8-[(5-2-methoxy-4-[(e)-3-(2,4-dimethyl-3-quino..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"44227495"	NA
"744991"	744991	"(11as)-8-[3-(4-6-[4-(3-[(11ar)-7-methoxy-5-oxo-2,3,5,11a..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCOC4=C=C=C(C=C4)c5ccc6c(c5)c7cc(ccc7n6S(=O)(=O)c8ccc(C)cc8)c9ccc(OCCCOc%10cc%11N=C[C@@H]%12CCCN%12C(=O)c%11cc%10OC)cc9"	0	""	""	2	2	"45028944"	NA
"744999"	744999	"(3E)-3-[(4-hydroxyphenyl)methylidene]-6-phenylchromen-4-one"	"Oc1ccc(\C=C\2/COc3ccc(cc3C2=O)c4ccccc4)cc1"	0	""	""	2	2	"45028950"	NA
"745018"	745018	"1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one"	"O=C1CCCCN1CCCCC#Cc2cccc(c2)C#Cc3cccnc3"	0	""	""	1	1	"45028957"	NA
"745025"	745025	"10-(6'-ubiquinolyl)decyltriphenylphosphonium"	"COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	2	"24783759"	NA
"745062"	745062	"6-methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide"	"Cc1ccc(cn1)C(=O)N\N=C\c2cccc(Oc3ccccc3)c2"	0	""	""	2	2	"45028963"	NA
"745089"	745089	"1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3cccc(Br)c3"	0	""	""	2	2	"45028986"	NA
"745090"	745090	"1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CCN(CC)c1ccc(cc1)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	"45028987"	NA
"745097"	745097	"[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3occc3)c4ccc(cc4)S(=O)(=O)C"	0	""	""	2	2	"45028994"	NA
"745098"	745098	"sr16388"	"C[C@@H]1Cc2cc(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=C\COCCN(C)C)[C@H]13.OC(=O)CC(O)(CC(=O)O)CC(=O)O"	0	""	""	2	2	"54612678"	NA
"745102"	745102	"l-valine, n,n-dimethyl-, (1r,2e,6s,10e,11as,13s,14ar)-4,..."	"CC(C)[C@H](N(C)C)C(=O)O[C@@H]1\C=C\C(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@@H]12"	0	""	""	2	2	"45028995"	NA
"745103"	745103	"d-valine, n,n-dimethyl-, (1r,2e,6s,10e,11as,13s,14ar)-4,..."	"CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1\C=C\C(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@@H]12"	0	""	""	2	2	"45028997"	NA
"745287"	745287	"6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile"	"CSc1nc(cc(c2ccc(Cl)cc2)c1C#N)c3oc4ccccc4c3"	0	""	""	2	2	"45029032"	NA
"745301"	745301	"nonnucleoside purine derivatives"	"ClCCOCCn1cnc2c(Cl)nc(Cl)nc12"	0	""	""	1	1	"45029046"	NA
"745321"	745321	"KH-CARB10"	"CN1CCC2(CC1)NC(=O)c3c(C2C#N)c4cccc(Cl)c4n3C"	0	""	""	2	1	"56946086"	NA
"745343"	745343	"1-Benzyl-3-hexadecyl-2-methylimidazolium chloride"	"CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C"	0	""	""	2	1	"44219704"	NA
"745355"	745355	"7-methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthra..."	"COc1cc(C=C2c3ccccc3C(=O)c4ccccc24)ccc1OCCCCOc5cc6N=CC7CCCN7C(=O)c6cc5OC"	0	""	""	2	1	"45029072"	NA
"745414"	745414	"6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one"	"COc1ccc(CC2=Nc3cc(OC)c(OC)cc3C(=O)N2)cc1"	0	""	""	2	2	"135958473"	NA
"745449"	745449	"(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-6-phenylchromen-4-one"	"Oc1ccc(\C=C\2/COc3ccc(cc3C2=O)c4ccccc4)cc1O"	0	""	""	2	2	"45029091"	NA
"745450"	745450	"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	"45029092"	NA
"745451"	745451	"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone"	"Fc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	"45029093"	NA
"745452"	745452	"2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccc(OC)cc4"	0	""	""	2	2	"45029094"	NA
"745454"	745454	"1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone"	"COc1ccc(cc1)C(=O)c2nc3ccccc3n2CC(=O)c4ccc(Cl)cc4"	0	""	""	2	2	"45029096"	NA
"745455"	745455	"2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccc(Cl)cc4"	0	""	""	2	2	"45029097"	NA
"745471"	745471	"4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid"	"CCOC(=O)c1cc(c2ccc(cc2)[N+](=O)[O-])n(c1C)c3ccc(C(=O)O)c(O)c3"	0	""	""	1	1	"45029113"	NA
"745476"	745476	"4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,4-dihydro..."	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC3=Nc4nc(NCc5ccccc5)nc(c6ccc(O)cc6)c4C(=O)N3)cc2)n1"	0	""	""	1	1	"135958480"	NA
"745484"	745484	"2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cc(OC)c(OC)c(OC)c3)C(F)(F)F"	0	""	""	1	1	"45029125"	NA
"745485"	745485	"2-[3-(trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide"	"COc1cc(\C=N\NC(=O)c2ccccc2Nc3cccc(c3)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	1	"45029126"	NA
"745486"	745486	"[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)N(C)C)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"45029127"	NA
"745487"	745487	"[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1O)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	""	""	2	2	"45029128"	NA
"745492"	745492	"1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(ccc1O)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	"135908147"	NA
"745500"	745500	"1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccccc1\C=N\CCNc2cccc3C(=O)c4ccccc4C(=O)c23"	0	""	""	2	1	"135958487"	NA
"745501"	745501	"1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone"	"Oc1ccccc1\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5ccccc5O)c4C(=O)c23"	0	""	""	2	2	"135958488"	NA
"745523"	745523	"(8,9-dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate"	"CC(=O)OC1Oc2cc(C)c(C)cc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	""	""	2	2	"45029154"	NA
"745540"	745540	"12-Chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine"	"Cl[As]1c2ccc(cc2Nc3ccc4ccccc4c13)c5ccccc5"	0	""	""	2	2	"12283554"	NA
"745543"	745543	"n'-(2,4-dihydroxybenzylidene)-2,3-dimethyl-4h-furo[3,2-b..."	"Cc1oc2c(c[nH]c2c1C)C(=O)N\N=C/c3ccc(O)cc3O"	0	""	""	2	2	"135958493"	NA
"745582"	745582	"4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide"	"CN1C(=O)C(=C(N=C1N2NC(=O)C(N=Nc3ccc(cc3)S(=O)(=O)N)C2=O)c4occc4)C#N"	0	""	""	1	1	"45029189"	NA
"745591"	745591	"4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile"	"N#Cc1c(nc(SCC2CO2)nc1c3ccccc3)N4CCOCC4"	0	""	""	2	2	"45029198"	NA
"745617"	745617	"4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole"	"Clc1ccc(c(Cl)c1)c2cn(c3ccccc3)c(n2)c4ccccc4"	0	""	""	2	2	"45029218"	NA
"745677"	745677	"4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	"COc1ccc(NC2=C(C#N)C(=N)N3C(=N2)Sc4cc(Cl)ccc34)cc1"	0	""	""	2	2	"45029232"	NA
"745678"	745678	"4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	"Clc1ccc(NC2=C(C#N)C(=N)N3C(=N2)Sc4cc(Cl)ccc34)cc1"	0	""	""	2	1	"45029233"	NA
"745689"	745689	"3-cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]be..."	"CSC1=C(C#N)C(=N)N2C(=N1)Sc3cc(Cl)ccc23"	0	""	""	2	2	"45029244"	NA
"745693"	745693	"STL487843"	"COc1cc(cc(OC)c1OC)C2C=C(Nc3ncnn23)c4cccc(NC(=O)C)c4"	0	""	""	2	2	"5164236"	NA
"745750"	745750	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:STK,YK,MET,EGFR,ERBB2,KIT,RAF,VEGFR"	"FDA approved"	5	5	"208908"	"231277922"
"745813"	745813	"Z48861686"	"CCOc1ccc(Nc2nc(cs2)c3ccc4OCC(=O)Nc4c3)cc1"	0	""	""	1	1	"4784054"	NA
"745923"	745923	"1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea"	"Cc1nc(NC(=S)Nc2ccc(F)cc2)sc1C(=O)NNC(=S)Nc3ccc(F)cc3"	0	""	""	1	1	"24936201"	NA
"745929"	745929	"3-(3-nitroso-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-ol"	"O\N=C/1\C(=C/2\C(=O)Nc3ncccc23)\Nc4ccccc14"	0	""	""	2	2	"135911866"	NA
"745931"	745931	""	"O\N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14"	0	NA	NA	2	2	"91148008"	NA
"745939"	745939	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	2	2	"45029263"	NA
"745940"	745940	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"45029264"	NA
"745943"	745943	"[3-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10S,12aR)-10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[3,4-dihydroxy-5-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate"	"CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)[C@H](C[C@@]7([C@H](O)C[C@@]56C)C(=O)OC8OC(CO)C(O)C(O)C8OC9OC(C)C(OC%10OC(CO)C(O)C%10O)C(OC%11OC(CO)C(O)C(O)C%11O)C9O)OC(=O)\C(=C\CC[C@](C)(OC%12OC(C)C(OC(=O)\C(=C\CCC(C)(O)C=C)\CO)C(O)C%12O)C=C)\CO)C3(C)C)C(NC(=O)C)C(O)C2O)C(OC%13OCC(O)C(O)C%13O)C(O)C1O"	0	""	""	2	2	"45029265"	NA
"745957"	745957	"2-benzylthio-4-chloro-n-[imino(3,4,5-trimethylpyrazol-1-..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)n3nc(C)c(C)c3C"	0	""	""	1	1	"45029269"	NA
"745962"	745962	"5-Iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(I)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	2	"45029271"	NA
"746005"	746005	"Z48958610"	"COc1ccc(NC2=NN=C(CS2)c3c[nH]c4ccccc34)cc1OC"	0	""	""	2	2	"135543484"	NA
"746032"	746032	"(11as)-7-methoxy-8-[3-(2-methoxy-4-(e)-3-oxo-3-[4-(3,4,5..."	"COc1cc(\C=C\C(=O)N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3)ccc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	"45029287"	NA
"746035"	746035	"2-4-[(5-2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-..."	"COc1cc(ccc1OCCCCCOc2c(OC)cc(cc2OC)C3=NOC(C3)c4cc(OC)c(OC)c(OC)c4)C5NC(=O)c6ccccc6N5"	0	""	""	2	2	"45029290"	NA
"746053"	746053	"(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone"	"Oc1cccc(C(=O)c2cn(Cc3ccc(F)cc3)c4cccc(O)c24)c1O"	0	""	""	2	2	"42624812"	NA
"746058"	746058	"N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide"	"COc1cccc2c1c(cn2Cc3ccc(F)cc3)C(=O)C(=O)Nc4onc(C)c4"	0	""	""	2	2	"42624803"	NA
"746060"	746060	"N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3ccc(Cl)cc3)C(F)(F)F)c1"	0	""	""	2	1	"45029300"	NA
"746061"	746061	"N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F)c1"	0	""	""	2	1	"45029301"	NA
"746063"	746063	"6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1O)c2cc(c3cc(OC)c(OC)c(OC)c3)c(C#N)c(n2)N4CCOCC4"	0	""	""	2	2	"45029303"	NA
"746064"	746064	"ChemDiv1_008548"	"COc1ccc(cc1OC)C2=NN(C(C2)c3ccc(Cl)cc3)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"3732101"	NA
"746068"	746068	"[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4cccc(OC)c4"	0	""	""	2	2	"45029306"	NA
"746076"	746076	"Spirohexenolide"	"CC1CC23OC(=O)\C(=C/4\OC\C(=C/C(O)C\C=C/C(=C/C2(C)C=C1C)/C)\C=C4)\C3=O"	0	""	""	2	2	"54613640"	NA
"746087"	746087	"1-(7-fluoro-3-methyl-quinoxalin-2-yl)-3-(3,4,5-trimethox..."	"COc1cc(\C=C\C(=O)c2nc3cc(F)ccc3nc2C)cc(OC)c1OC"	0	""	""	2	2	"45029310"	NA
"746098"	746098	"4-[5-(3,5-bis(trifluoromethyl)phenyl)-3-(trifluoromethyl..."	"NC(=O)NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"45029311"	NA
"746131"	746131	"pyr-41"	"CCOC(=O)c1ccc(cc1)N2NC(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\C2=O"	0	""	""	2	2	"5335621"	"418805024"
"746134"	746134	"(E,2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid"	"OC(=O)\C(=N/Nc1nc(cs1)c2ccc(Cl)cc2)\C=C\c3occc3"	0	""	""	1	1	"45029314"	NA
"746149"	746149	"n,n'-bis(4-bromo-2-fluorobenzoyl)-l-selenocystine bis(4-..."	"COc1ccc(cc1)C(=O)COC(=O)[C@H](C[Se][Se]C[C@H](NC(=O)c2ccc(Br)cc2F)C(=O)OCC(=O)c3ccc(OC)cc3)NC(=O)c4ccc(Br)cc4F"	0	""	""	2	1	"45029327"	NA
"746248"	746248	"Z28714792"	"CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc2nc(cs2)c3ccc(F)c(F)c3"	0	""	""	2	2	"2671841"	NA
"746310"	746310	"4-[C-(4-hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol"	"Cc1cc(NN=C(c2ccc(O)cc2)c3ccc(O)cc3)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"135958516"	NA
"746311"	746311	"4-[N-(5-chloro-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol"	"Oc1ccc(cc1)C(=NNc2cc(Cl)c(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(O)cc3"	0	""	""	2	1	"135546138"	NA
"746312"	746312	"4-[N-(2,4-dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol"	"Oc1ccc(cc1)C(=NNc2cc(N3CCCC3)c(cc2[N+](=O)[O-])[N+](=O)[O-])c4ccc(O)cc4"	0	""	""	1	1	"135958517"	NA
"746314"	746314	"4-[C-(4-hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol"	"COc1cc(NN=C(c2ccc(O)cc2)c3ccc(O)cc3)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	"135958518"	NA
"746351"	746351	"Z52868488"	"CCCN1C(=O)NC(=O)C(=C1N)C(=O)CNc2ccc(I)cc2"	0	""	""	2	2	"4806509"	NA
"746353"	746353	"(E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc3CCc4cccc2c34)cc1"	0	""	""	2	2	"6167610"	NA
"746418"	746418	"CBMicro_037298"	"Cc1nn(c(C)c1Oc2ccccc2O)c3nc4ccccc4s3"	0	""	""	1	1	"2313402"	NA
"746498"	746498	"N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide"	"COc1ccc(\C=N\NC(=O)c2cccc3cc[nH]c23)cc1O"	0	""	""	2	2	"6899201"	NA
"746513"	746513	"5-triazol-2-yl-methyl-2-[2?,(2??-chlorophenyl)-thiazolid..."	"Clc1ccccc1C2SCC(=O)N2c3oc(Cn4cnnc4)nn3"	0	""	""	1	1	"45029357"	NA
"746540"	746540	"(4S)-Parectadial"	"C=C(C=O)[C@H]1CCC(=CC1)C=O"	0	""	""	2	2	"23625545"	NA
"746541"	746541	"Amaminol A"	"CC\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1CC[C@H](O)[C@H](C)N"	0	""	""	1	1	"10265530"	"261622188"
"746568"	746568	"naphthol as-e phosphate"	"OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	"87517"	"18228176"
"746604"	746604	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	"CSC1=NC2=C(N=C3C(C(N2)c4ccccc4)C(=O)c5ccccc35)C(=O)N1"	0	""	""	1	1	"135958523"	NA
"746608"	746608	"10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	"CSC1=NC2=C(N=C3C(C(N2)c4ccc(F)cc4)C(=O)c5ccccc35)C(=O)N1"	0	""	""	1	1	"135958525"	NA
"746616"	746616	"2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine"	"CN(O)c1nc(nc(n1)N2CCOCC2)N(C)O"	0	""	""	1	1	"44186462"	NA
"746683"	746683	"7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,3,6-tripheny..."	"CN(C)CCNC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	"45029397"	NA
"746684"	746684	"7-{[3-(dibutylamino)propyl]amino}-5-imino-1,3,6-tripheny..."	"CCCCN(CCCC)CCCNC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	1	"45029398"	NA
"746685"	746685	"[(2-phenyl-1H-indol-3-yl)methylene]malononitrile"	"N#CC(=Cc1c([nH]c2ccccc12)c3ccccc3)C#N"	0	""	""	2	2	"809566"	NA
"746687"	746687	"(2e)-3-(2-phenyl-1h-indol-3-yl)-2-(phenylsulfonyl)acrylo..."	"O=S(=O)(\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C#N)c4ccccc4"	0	""	""	2	2	"45029399"	NA
"746691"	746691	"(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile"	"O=C(\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C#N)c4ccccc4"	0	""	""	1	1	"5986877"	NA
"746692"	746692	"methyl (2e)-2-(methylsulfonyl)-3-(2-phenyl-1h-indol-3-yl..."	"COC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)C"	0	""	""	1	1	"45029402"	NA
"746694"	746694	"methyl (2e)-3-(2-methyl-1h-indol-3-yl)-2-(phenylsulfonyl..."	"COC(=O)\C(=C/c1c(C)[nH]c2ccccc12)\S(=O)(=O)c3ccccc3"	0	""	""	1	1	"45029404"	NA
"746701"	746701	"n-(4-chlorophenyl)-n-({[2-(4-chlorophenyl)ethyl]amino]ca..."	"Clc1ccc(CCNC(=S)N(C(=O)c2ccccc2)c3ccc(Cl)cc3)cc1"	0	""	""	1	1	"45029410"	NA
"746708"	746708	"Desmethylbrefeldin A"	"O[C@H]1C[C@H]2\C=C\CCCCOC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	""	""	2	1	"45029415"	NA
"746754"	746754	"3-[(Z)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide"	"CC1=Nc2sc(C(=O)N)c(C)c2C(=O)N1\N=C\3/SC=C(N3Cc4ccccc4)c5ccccc5"	0	""	""	1	1	"45029420"	NA
"746803"	746803	"4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene"	"c1ccc(cc1)c2cc3c(ncc4n(nc(c5ccccc5)n34)c6ccccc6)n2"	0	""	""	1	1	"45029436"	NA
"746807"	746807	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide"	"O=C(CCCN1c2c(sc3ccccc23)C(=O)n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	2	2	"45029440"	NA
"746809"	746809	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide"	"O=C(CCCN1C(=O)c2sc3ccccc3c2n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	1	1	"45029442"	NA
"746821"	746821	"N-tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)NC(C)(C)C)c3ccc[nH]3"	0	""	""	2	2	"135958528"	NA
"746822"	746822	"6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)Nc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	"135932478"	NA
"746823"	746823	"N-benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)NCc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	"135958530"	NA
"746824"	746824	"N-ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"CCNC(=O)CCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	1	1	"135958532"	NA
"746840"	746840	"[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3CSc4ccccc4)[C@@H]1OC(=O)C)\C"	0	""	""	2	2	"45029453"	NA
"746886"	746886	"(4'rs)-7',8'-dichloro-1-ethyl-1',2',4',9'-tetrahydro-9'-..."	"CCN1CCC2(CC1)NC(=O)c3c(C2C#N)c4ccc(Cl)c(Cl)c4n3C"	0	""	""	1	1	"45029455"	NA
"746890"	746890	"(3ez)-3-[3,5-bis(trifluoromethyl)-benzylidene]-6,7-dichl..."	"FC(F)(F)c1cc(\C=C/2\C(=O)Nc3c(Cl)c(Cl)ccc23)cc(c1)C(F)(F)F"	0	""	""	2	2	"45029459"	NA
"746928"	746928	"N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine"	"CCCNc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	2	2	"45029482"	NA
"746930"	746930	"Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate"	"COC(=O)CNc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	1	1	"45029484"	NA
"746931"	746931	"N-[4-[2-[2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine"	"CCCN(CCSSCCNc1nc(nc(n1)N(C)O)N(C)O)c2nc(nc(n2)N(C)O)N(C)O"	0	""	""	1	1	"45029485"	NA
"746993"	746993	"methyl 1,3-dimethyl-5-oxo-6-phenyl-5h-pyrrolizine-2-carb..."	"COC(=O)c1c(C)c2C=C(C(=O)n2c1C)c3ccccc3"	0	""	""	2	1	"11403273"	NA
"747138"	747138	"(3Z)-5-Bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(Br)cc23)cc(OC)c1OC"	0	""	""	2	2	"6075235"	NA
"747139"	747139	"(3Z)-5-(dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(cc23)N(C)C)cc(OC)c1OC"	0	""	""	2	2	"60147486"	NA
"747141"	747141	"(3Z)-1-[(4-chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(Cc3ccc(Cl)cc3)c4ccccc24)cc(OC)c1OC"	0	""	""	2	1	"60147487"	NA
"747148"	747148	"(3Z)-5-methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1ccc2N(C)C(=O)\C(=C/c3cc(OC)c(OC)c(OC)c3)\c2c1"	0	""	""	2	1	"60147488"	NA
"747152"	747152	"(3Z)-5-hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3cc(C)c(O)cc23)cc(OC)c1OC"	0	""	""	2	1	"60147490"	NA
"747162"	747162	"Mito-tempol"	"CC1(C)CC(CC(C)(C)N1O)OCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	2	"54613387"	NA
"747167"	747167	"Nelfinavir"	"Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C"	0	"PSM"	"FDA approved"	2	1	"64143"	"159989647"
"747168"	747168	"(3Z)-6-chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one"	"Oc1ccc(\C=C\2/CSc3ccc(Cl)cc3C2=O)cc1"	0	""	""	1	1	"25676884"	NA
"747169"	747169	"(2Z)-2-[(4-hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3ccc(O)cc3)\C(=O)c2c1"	0	""	""	2	2	"54613041"	NA
"747198"	747198	"2-(4-chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N\N=C\c3ccccc3Cl)C(F)(F)F"	0	""	""	2	2	"46227884"	NA
"747199"	747199	"2-(5-chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F"	0	""	""	2	1	"46227829"	NA
"747251"	747251	"trihexyl(tetradecyl)phosphonium bis (trifluoromethylsulf..."	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	2	"11181836"	"460092039"
"747252"	747252	"trihexyl(tetradecyl)phosphonium hexafluorophosphate"	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	"131407699"	"374683440"
"747253"	747253	"trihexyl(tetradecyl)phosphonium tetrafluoroborate"	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC"	0	NA	NA	2	2	"131407918"	"374683553"
"747259"	747259	"methyltrioctylammonium bis(trifluoromethylsulfonyl)imide"	"CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	1	"16211009"	"375395338"
"747260"	747260	"1-Hexadecyl-3-methylimidazolium chloride"	"CCCCCCCCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	2	"2734231"	"61546018"
"747267"	747267	"1-Decyl-3-methylimidazolium chloride"	"CCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	2	"2734225"	"171058187"
"747268"	747268	"1-decyl-3-methylimidazolium tetrafluoroborate"	"CCCCCCCCCC[n+]1ccn(C)c1"	0	NA	NA	1	1	"131407835"	"244193564"
"747269"	747269	"1-methyl-3-octadecylimidazolium chloride"	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	1	"2734233"	"171058198"
"747270"	747270	"1-methyl-3-octadecylimidazolium hexafluorophosphate"	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	"131407837"	NA
"747271"	747271	"1-methyl-3-octadecylimidazolium bis(trifluoromethylsulfo..."	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	1	"46191760"	NA
"747272"	747272	"1-methyl-3-octadecylimidazolium tris(pentafluoroethyl)tr..."	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.FC(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"	0	""	""	2	1	"46191761"	NA
"747273"	747273	"tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate"	"CCCC[P+](CCCC)(CCCC)CCCC.FC(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"	0	""	""	1	1	"21977446"	"482635814"
"747284"	747284	"8-ethoxy-4-hydroxy-1-oxo-6-phenyl-1,2-dihydro-[2,7]napht..."	"CCOc1nc(cc2C(=C(NC(=O)c12)C(=O)N\N=C\c3ccc(O)cc3O)O)c4ccccc4"	0	""	""	2	2	"135968282"	NA
"747286"	747286	"1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccc(O)c(\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5cc(O)ccc5O)c4C(=O)c23)c1"	0	""	""	1	1	"135968239"	NA
"747287"	747287	"1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccc(cc1\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5cc(ccc5O)[N+](=O)[O-])c4C(=O)c23)[N+](=O)[O-]"	0	""	""	1	1	"135968249"	NA
"747292"	747292	"2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)CC(CCC(=O)O)C(=O)O)cnc2n1"	0	""	""	2	2	"15950455"	NA
"747339"	747339	"5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	"COc1ccc(cc1)c2n[nH]cc2Nc3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	"54612823"	NA
"747342"	747342	"bi-d1870"	"CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12"	0	""	""	2	2	"25023738"	NA
"747378"	747378	"N-[(E)-(4-fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide"	"Fc1ccc(\C=N\NC(=O)c2[nH]c3ccc(I)cc3c2c4ccccc4)cc1"	0	""	""	2	2	"54613729"	NA
"747447"	747447	"3,19-(4-n,n-dimethylamino)benzylidineandrographolide"	"CN(C)c1ccc(cc1)C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	2	1	"54613734"	NA
"747448"	747448	"3,19-(2,6-dimethyoxy)benzylidineandrographolide"	"COc1cccc(OC)c1C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	2	1	"54612897"	NA
"747451"	747451	"3,19-benzylidine-14-deoxy-11,12-didehydroandrographolide"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccccc5"	0	""	""	1	1	"54612900"	NA
"747452"	747452	"3,19-(4-Acetamido)benzylidineandrographolide"	"CC(=O)Nc1ccc(cc1)C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	1	1	"54612901"	NA
"747455"	747455	"N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2ncccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)c1"	0	""	""	1	1	"46227858"	NA
"747457"	747457	"N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N/NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c(O)c1"	0	""	""	2	2	"135968276"	NA
"747458"	747458	"N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c(O)c1"	0	""	""	2	2	"135968272"	NA
"747459"	747459	"N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(Cl)cc1\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F"	0	""	""	2	2	"135968273"	NA
"747460"	747460	"N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	"135968274"	NA
"747461"	747461	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(\C=N\NC(=O)c2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	"135968275"	NA
"747520"	747520	"3- methoxy-5h-8,9-dimethyl-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc2c(NC(=O)c3c4cc(C)c(C)cc4cn23)c1"	0	""	""	2	2	"54612824"	NA
"747521"	747521	"3- methoxy-5h-10-fluoro-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc2c(NC(=O)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	"54612825"	NA
"747522"	747522	"3- methoxy-5h-8-methoxy-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc2c(NC(=O)c3c4cc(OC)ccc4cn23)c1"	0	""	""	2	2	"54612826"	NA
"747523"	747523	"3- methoxy-5h-9-methoxy-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc2c(NC(=O)c3c4ccc(OC)cc4cn23)c1"	0	""	""	2	2	"54612827"	NA
"747524"	747524	"2- methoxy-5h-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc2NC(=O)c3c4ccccc4cn3c2c1"	0	""	""	2	2	"54612828"	NA
"747525"	747525	"1,4- dimethoxy-5h-isoindolo[2,1-a]quinoxalin-6-one"	"COc1ccc(OC)c2c1NC(=O)c3c4ccccc4cn23"	0	""	""	2	2	"54612829"	NA
"747526"	747526	"3- methoxy-5h-8,9-dimethoxy-isoindolo[2,1-a]quinoxalin-6..."	"COc1ccc2c(NC(=O)c3c4cc(OC)c(OC)cc4cn23)c1"	0	""	""	2	2	"54612830"	NA
"747556"	747556	"6-(4'-hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-..."	"Cc1cc(O)ccc1C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)N"	0	""	""	2	2	"135894397"	NA
"747558"	747558	"6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one"	"CCc1ccc(cc1)C2=NN(C(=O)C=C2)c3ccc(cc3)S(=O)(=O)N"	0	""	""	2	2	"54612980"	NA
"747599"	747599	"Nilotinib"	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F"	0	"BCR-ABL|PK:YK"	"FDA approved"	2	2	"644241"	"641571100"
"747650"	747650	"2,3-dimethoxy-5h-pyrido[3',2':4,5]pyrrolo[3,2-c]cinnoline"	"COc1cc2nnc3c4cccnc4[nH]c3c2cc1OC"	0	""	""	2	2	"54613653"	NA
"747651"	747651	"2-chloro-1-nitrosopyrido[3',2':4,5]pyrrolo[1,2-c]benzotr..."	"Clc1ccc2nnn3c4ncccc4c(N=O)c3c2c1"	0	""	""	2	2	"54613654"	NA
"747652"	747652	"2,3-dimethoxy-1-nitrosopyrido[3',2':4,5]pyrrolo[1,2-c][1..."	"COc1cc2nnn3c4ncccc4c(N=O)c3c2cc1OC"	0	""	""	2	2	"54613655"	NA
"747712"	747712	"18-Benzoyloxy-19-benzoylfuranotriptolide"	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCc6c(OC(=O)c7ccccc7)oc(C(=O)c8ccccc8)c6[C@@H]5C[C@@H]9O[C@]49[C@@H]2O"	0	""	""	2	2	"11365101"	NA
"747803"	747803	"2-hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid"	"OC1Oc2ccccc2C(=O)/C/1=C\Nc3ccc(C(=O)O)c(O)c3"	0	""	""	1	1	"23245656"	NA
"747804"	747804	"2-hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid"	"OC1Oc2ccccc2C(=O)/C/1=C\Nc3ccc(O)c(c3)C(=O)O"	0	""	""	1	1	"54612711"	NA
"747825"	747825	"3-(4-fluorophenyl)-8,9-dimethyl-2-oxo-2,5-dihydropyrano[..."	"CC(=O)OC1Oc2cc(C)c(C)cc2C3=C1C=C(C(=O)O3)c4ccc(F)cc4"	0	""	""	1	1	"45113107"	NA
"747856"	747856	"Olaparib"	"Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5"	0	"PARP|PARP1"	"FDA approved"	1	1	"23725625"	"763113220"
"747884"	747884	"LDN-193189 HCl"	"C1CN(CCN1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6ccccc56"	0	""	""	2	1	"54613581"	NA
"747887"	747887	"3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid"	"COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1"	0	""	""	2	2	"54613582"	NA
"747973"	747973	"Ixabepilone"	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	"TUBB|Tu-stab"	"FDA approved"	3	1	"6445540"	"219989841"
"747974"	747974	"Raloxifene"	"Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4"	0	"Ho|SERM"	"FDA approved"	2	2	"5035"	"84449901"
"748084"	748084	"n3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxy..."	"COc1ccc2nc(NC(=O)c3cccnc3Nc4cc(OC)c(OC)c(OC)c4)sc2c1"	0	""	""	1	1	"54612978"	NA
"748141"	748141	"1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene"	"CCC(=C(c1ccc(O)cc1)c2ccc(O)cc2)C34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C%10=C%11%12"	0	NA	NA	2	2	"131407713"	NA
"748145"	748145	"5-Chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	2	"53329233"	NA
"748146"	748146	"5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(Br)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	1	"53329234"	NA
"748147"	748147	"5-Methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"Cc1ccc(NC(=O)\C=C\c2ccccc2)c(c1)C(=O)N"	0	""	""	2	2	"53329052"	NA
"748148"	748148	"5-iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benz..."	"NC(=O)c1cc(I)ccc1NC(=O)\C=C\c2ccccc2Cl"	0	""	""	2	2	"53329762"	NA
"748253"	748253	"7-benzyl-5,7-dihydro-4h-isoxazolo[5,4-e]isoindole"	"C(c1ccccc1)n2cc3CCc4cnoc4c3c2"	0	""	""	2	2	"54613102"	NA
"748254"	748254	"7-(4-methoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-e]isoin..."	"COc1ccc(Cn2cc3CCc4cnoc4c3c2)cc1"	0	""	""	2	2	"54613103"	NA
"748260"	748260	"7-benzyl-6-phenyl-5,7-dihydro-4h-isoxazolo[5,4-e]isoindole"	"C(c1ccccc1)n2cc3c(CCc4cnoc34)c2c5ccccc5"	0	""	""	1	1	"54613108"	NA
"748261"	748261	"7-(4-methoxybenzyl)-6-phenyl-5,7-dihydro-4h-isoxazolo[5,..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1"	0	""	""	2	2	"54613109"	NA
"748262"	748262	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(\C=N\NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c(O)c1"	0	""	""	2	2	"135968269"	NA
"748263"	748263	"N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCOc1cccc(\C=N\NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c1O"	0	""	""	2	2	"135968270"	NA
"748264"	748264	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"COc1ccc(cc1Nc2ccnc(c2)C(F)(F)F)C(=O)N\N=C\c3ccc(O)cc3O"	0	""	""	2	2	"135968271"	NA
"748265"	748265	"N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"CCN(CC)c1ccc(\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	"135968280"	NA
"748266"	748266	"[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccccc1n2cnc(N)c2C(=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"54613334"	NA
"748289"	748289	"(10S)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one"	"CSC1=Nc2c(C3=NC(=O)C[C@H](C)N13)c(C)c(c4ccccc4)n2CCCN5CCCCC5"	0	""	""	2	1	"54613121"	NA
"748337"	748337	"3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1h-pyrazol..."	"Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCNCC5"	0	""	""	2	2	"49798416"	NA
"748378"	748378	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone"	"Cc1cc(C)n(n1)C(=O)c2nn(cc2O)c3ccc(Cl)cc3"	0	""	""	1	1	"46884875"	NA
"748381"	748381	"1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione"	"Oc1cn(nc1C(=O)N2NC(=O)CC2=O)c3ccc(Cl)cc3"	0	""	""	2	2	"46884877"	NA
"748382"	748382	"5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile"	"Nc1c(cnn1C(=O)c2nn(cc2O)c3ccc(Cl)cc3)C#N"	0	""	""	2	1	"46865790"	NA
"748383"	748383	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone"	"Cc1c2CCc3ccccc3c2nn1C(=O)c4nn(cc4O)c5ccc(Cl)cc5"	0	""	""	2	2	"46865789"	NA
"748389"	748389	"tris-n,n,n-{[3-(3-hydroxy-2-oxo-2h-pyridin-1-yl)-propyl]..."	"OC1=CC=CN(CCCN(CCCN2C=CC=C(O)C2=O)CCN3C=CC=C(O)C3=O)C1=O"	0	""	""	1	1	"54613677"	NA
"748392"	748392	"5-methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride"	"[Cl-].[Cl-].C[n+]1c2ccccc2c(NC3CCNCC3)c4[nH]c5ccccc5c14"	0	""	""	2	2	"54612840"	NA
"748393"	748393	"N',N'-diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride"	"[Cl-].[Cl-].CCN(CC)CCCCNc1c2ccccc2[n+](C)c3c4ccccc4[nH]c13"	0	""	""	2	2	"54612841"	NA
"748394"	748394	"5-methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride"	"C[n+]1c2ccccc2c(Nc3ccc(cc3)N4CCCCC4)c5[nH]c6ccccc6c15"	0	""	""	2	2	"51051406"	NA
"748399"	748399	"(4-methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone"	"COc1ccc(cc1)C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2"	0	""	""	1	1	"51032645"	NA
"748403"	748403	"N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-a..."	"COc1ccc(cc1)N(C)c2ncnc3occ(C)c23"	0	NA	NA	2	2	"440795431"	NA
"748404"	748404	"5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1ccc(cc1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	"49865894"	NA
"748494"	748494	"3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one"	"Nc1cc(nn1C2=NC(=O)C(=NN2)\C=C\c3occc3)c4ccc(Cl)cc4"	0	""	""	2	2	"135968229"	NA
"748497"	748497	"KH-CARB13"	"Cn1c2C(=O)NC3(CCNCC3)C(C#N)c2c4ccc(Cl)c(Cl)c14"	0	""	""	2	1	"54613583"	NA
"748498"	748498	"(3Z)-6,7-Dichloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one"	"Oc1c(Br)cc(\C=C\2/C(=O)Nc3c(Cl)c(Cl)ccc23)cc1Br"	0	""	""	2	1	"45486324"	NA
"748512"	748512	"STL335698"	"CN(C)c1ccc(\C=C(/C#N)\c2nc3ccccc3n2C)cc1"	0	""	""	2	2	"5710552"	NA
"748533"	748533	"1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole"	"CC(=O)c1nc2ccccc2n1CC(=O)c3cccc(Cl)c3"	0	""	""	2	2	"46911792"	NA
"748541"	748541	"1-methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-d..."	"COc1ccc(CN2C(=C)c3nc4ccccc4n3C=C2c5cccc(Cl)c5)cc1"	0	""	""	2	2	"54613563"	NA
"748559"	748559	"4-(4-chlorophenyl)-1-3-[(e)-3-(4-hydroxy-3-methoxyphenyl..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)ccc1O"	0	""	""	2	1	"46919707"	NA
"748560"	748560	"1-3-[(e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pheny..."	"COc1ccc(cc1)C2=CN(C(=O)N2)c3cccc(c3)C(=O)\C=C\c4ccc(O)c(OC)c4"	0	""	""	2	1	"46919706"	NA
"748561"	748561	"1-3-[(e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pheny..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)ccc1O"	0	""	""	2	1	"46919705"	NA
"748583"	748583	"ChemDiv3_000482"	"O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1"	0	""	""	2	2	"3110612"	NA
"748641"	748641	"S-allylthio mercaptopurine riboside"	"OCC1OC(C(O)C1O)n2cnc3c(SSCC=C)ncnc23"	0	""	""	2	2	"54613413"	NA
"748642"	748642	"S-allylthio 6mercaptopurine"	"C=CCSSC1NC=Nc2nc[nH]c12"	0	""	""	2	2	"54613414"	NA
"748643"	748643	"mitaplatin"	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)C(Cl)Cl)[O-]C(=O)C(Cl)Cl"	0	NA	NA	1	1	"131408384"	NA
"748653"	748653	"methyl 2,3-di-o-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-..."	"COC1O[C@H](CNC(=O)c2cccc(I)c2)C(OCCCC=C)[C@H](OCc3ccccc3)C1OCc4ccccc4"	0	""	""	1	1	"54612763"	NA
"748668"	748668	"4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"CCN(CC)c1ccc(cc1)c2cc(nc(N3CCOCC3)c2C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"54613256"	NA
"748669"	748669	"N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F"	0	""	""	2	2	"135968233"	NA
"748671"	748671	"N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCOc1cccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c1O"	0	""	""	2	2	"135968235"	NA
"748673"	748673	"N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"Oc1ccccc1\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	2	2	"135968237"	NA
"748674"	748674	"N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"CCOc1cccc(\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c1O"	0	""	""	1	1	"135968238"	NA
"748695"	748695	"eeyarestatin i (eer-1: n'-(4-chlorophenyl)-n-[3-(4-chlor..."	"CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)N\N=C\C=C\c3oc(cc3)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	2	2	"23947580"	NA
"748705"	748705	"N-(5-chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"Oc1ccc(Cl)cc1NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	1	1	"54612914"	NA
"748707"	748707	"2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(c3cccs3)c(C#N)c(n2)N4CCOCC4"	0	""	""	2	2	"54613336"	NA
"748708"	748708	"N-(2-hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide"	"Oc1ccccc1NC(=O)c2ccc(CNc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	1	1	"54613337"	NA
"748712"	748712	"N-(2-hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Cc1ccc(O)c(NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c1"	0	""	""	1	1	"54613407"	NA
"748713"	748713	"N-(5-chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(Cl)cc1NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2"	0	""	""	1	1	"54613408"	NA
"748715"	748715	"N-(2-hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide"	"Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccnc(c3)C(F)(F)F)cc2)c1"	0	""	""	1	1	"54613415"	NA
"748717"	748717	"Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate"	"CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)C)c([n+]2[O-])C(F)(F)F"	0	""	""	2	1	"54613595"	NA
"748722"	748722	"NUGXXGLKPAJMEO-UHFFFAOYSA-N"	"CCN1C(=O)NC(=O)C(C)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O"	0	""	""	2	1	"24765668"	NA
"748723"	748723	"WEQZEPJNZZNZTG-UHFFFAOYSA-N"	"CCC1(NC(=O)c2cc(F)c(F)c(F)c2F)C(=O)NC(=O)N(C(C)C)C1=O"	0	""	""	1	1	"24765568"	NA
"748724"	748724	"MWDYWHXATUVQTR-UHFFFAOYSA-N"	"CCCN1C(=O)NC(=O)C(CC)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O"	0	""	""	2	1	"24765667"	NA
"748742"	748742	"STK325130"	"CN1C(=O)N(C)C(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C1=O"	0	""	""	2	2	"3114175"	NA
"748854"	748854	"n3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxya..."	"COc1cc(Nc2ncccc2C(=O)Nc3nc4ccc(F)cc4s3)cc(OC)c1OC"	0	""	""	1	1	"54613686"	NA
"748870"	748870	"J3.519.594G"	"Clc1ccc(cc1)C(=O)\C(=C\c2c([nH]c3ccccc23)c4ccccc4)\C#N"	0	""	""	2	2	"54612751"	NA
"748871"	748871	"(E)-2-(benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile"	"COc1ccc(cc1)c2[nH]c3ccccc3c2\C=C(/C#N)\S(=O)(=O)c4ccccc4"	0	""	""	2	1	"54612752"	NA
"748872"	748872	"(E)-2-(benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile"	"COc1ccc2[nH]c(c(\C=C(/C#N)\S(=O)(=O)c3ccccc3)c2c1)c4ccccc4"	0	""	""	1	1	"54612753"	NA
"748873"	748873	"(E)-2-(benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile"	"COc1ccc(cc1)c2[nH]c3ccc(OC)cc3c2\C=C(/C#N)\S(=O)(=O)c4ccccc4"	0	""	""	2	2	"54612754"	NA
"748875"	748875	"(E)-3-methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one"	"CC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)C"	0	""	""	2	2	"54612756"	NA
"748877"	748877	"N-(11,29-dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-hydroxypropanamide"	"CCCC1CCC(O)(OC1CC)C(C)(O)C(=O)NC2C(OC(=O)C(C)NC(=O)C3CC(O)CNN3C(=O)C4CCCNN4C(=O)C(C)N(O)C(=O)C5CCCNN5C2=O)C(C)C"	0	""	""	2	1	"54613466"	NA
"748878"	748878	"2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone"	"CC1=C([Te]c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	"11090122"	NA
"748896"	748896	"6-[(1,4-dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide"	"O=C(CCCCCNC1=CC(=O)c2ccccc2C1=O)NCCC[Te]c3ccccc3"	0	""	""	2	1	"44521344"	NA
"748900"	748900	"[(20s)-20-(n,n-dimethylamino)-3a-(tigloylamino)-5a-preg-..."	"C\C=C(/C)\C(=O)N[C@H]1[C@H](C[C@@]2(C)C(CCC3C4CC[C@H](C(C)N(C)C)[C@@]4(C)CCC23)[C@H]1O)OC(=O)C"	0	""	""	2	1	"54612848"	NA
"748901"	748901	"[(20s)-20-(n,n-dimethylamino)-3a-(senecoylamino)-5a-preg..."	"CC([C@H]1C(CC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C)OC(=O)C)N(C)C"	0	""	""	2	1	"54612849"	NA
"748902"	748902	"[(20s)-20-(n,n-dimethylamino)- 3a-(tigloylamino)-5a-preg..."	"CC([C@H]1CCC2C3CCC4C[C@@H](NC(=O)C=C(C)C)[C@@H](O)C[C@]4(C)C3CC[C@]12C)N(C)C"	0	""	""	2	2	"54612850"	NA
"748903"	748903	"[(20s)-20-(n,n-dimethylamino)- 3a-(tigloylamino)-5a-preg..."	"C\C=C(/C)\C(=O)N[C@H]1C(O)C[C@@]2(C)C(CCC3C4CC[C@H](C(C)N(C)C)[C@@]4(C)CCC23)C1O"	0	""	""	2	1	"54612851"	NA
"748904"	748904	"[(20s)-20-(n,n-dimethylamino)-5a-preg-3a-aminal], n-form..."	"CC([C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC=O)N(C)C"	0	""	""	2	2	"54612852"	NA
"748905"	748905	"hookerianamide j"	"CC(N(C)C)C1=CCC2C3CCC4[C@@H](O)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C"	0	""	""	2	2	"54612853"	NA
"748906"	748906	"hookerianamide k"	"CC([C@H]1CC=C2C3CCC4=C[C@H](CC[C@]4(C)C3CC[C@]12C)N(C)C)N(C)C"	0	""	""	2	1	"54612854"	NA
"748907"	748907	"hookerianamide h"	"CC([C@H]1CCC2C3CCC4C(=O)C(=CC[C@]4(C)C3CC[C@]12C)NC=O)N(C)C"	0	""	""	2	2	"54612855"	NA
"748908"	748908	"hookerianamide i"	"CNC(C)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)N(C)C(=O)c5ccccc5"	0	""	""	2	2	"54612856"	NA
"748909"	748909	"chonemorphine"	"CC([C@H]1CCC2C3CCC4C[C@@H](N)CC[C@]4(C)C3CC[C@]12C)N(C)C"	0	""	""	2	2	"54612857"	NA
"748911"	748911	"epipachysamine-e-5-en-4-one"	"CNC(C)[C@H]1CCC2C3CC=C4C(=O)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C"	0	""	""	2	1	"54612859"	NA
"748912"	748912	"vagenine a"	"CC([C@H]1CCC2C3CCC4[C@@H](OC(=O)C)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C)N(C)C"	0	""	""	2	1	"54613350"	NA
"748913"	748913	"2,3-Dehydrosarcovagine D"	"C\C=C(/C)\C(=O)NC1=CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C1=O)C(C)N(C)C"	0	""	""	2	2	"54612860"	NA
"748953"	748953	"2-(Carboxy proxyl)-decyltriphenylphosphonium bromide"	"CC1(C)CC(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)C(C)(C)N1O"	0	""	""	2	2	"54613125"	NA
"749023"	749023	"(E)-3-(benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one"	"CC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)c4ccccc4"	0	""	""	2	2	"54613201"	NA
"749024"	749024	"diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate"	"CCOC(=O)C(=Cc1c([nH]c2ccccc12)c3ccccc3)C(=O)OCC"	0	""	""	2	1	"13266383"	NA
"749025"	749025	"(E)-2-(benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one"	"O=C(\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	"54613202"	NA
"749026"	749026	"2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile"	"COc1ccc(cc1)c2[nH]c3ccccc3c2C=C(C#N)C#N"	0	""	""	2	2	"16101433"	NA
"749027"	749027	"2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile"	"COc1ccc2[nH]c(c(C=C(C#N)C#N)c2c1)c3ccccc3"	0	""	""	1	1	"23861723"	NA
"749028"	749028	"2-[[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile"	"COc1ccc(cc1)c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N"	0	""	""	2	2	"44435255"	NA
"749029"	749029	"ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate"	"CCOC(=O)\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	"54613203"	NA
"749046"	749046	"3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one"	"Clc1ccc2[nH]c(nc2c1)C3=Cc4ccccc4NC3=O"	0	""	""	1	1	"135863082"	NA
"749075"	749075	"3-(6/7-chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-]"	0	""	""	1	1	"53362836"	NA
"749076"	749076	"3-(7-methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4,..."	"COc1ccc2c(c1)[n+]([O-])c(\C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[n+]2[O-]"	0	""	""	1	1	"53362835"	NA
"749086"	749086	"1-carbaldehyde-3-(4-methoxy-phenylsulfanyl)-2H-isoindole"	"COc1ccc(Sc2[nH]c(C=O)c3ccccc23)cc1"	0	""	""	1	1	"53361730"	NA
"749088"	749088	"1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole"	"COc1ccc(Sc2[nH]c(C(=O)C)c3ccccc23)cc1"	0	""	""	1	1	"53361731"	NA
"749117"	749117	"3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-s..."	"COc1ccc(cc1)C2CC(=NN2c3ccc(cc3)S(=O)(=O)N)c4ccc(OC)cc4O"	0	""	""	1	1	"135960825"	NA
"749145"	749145	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	"COc1ccc(cc1)c2nnc(nc2c3ccc(OC)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccccc6"	0	""	""	1	1	"54613114"	NA
"749146"	749146	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)c2nnc(nc2c3ccc(OC)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccc(Cl)cc6"	0	""	""	1	1	"54613115"	NA
"749147"	749147	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(OC)cc5)c(n4)c6ccc(OC)cc6)CC2"	0	""	""	2	2	"54613116"	NA
"749148"	749148	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	"Clc1ccc(cc1)c2nnc(nc2c3ccc(Cl)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccccc6"	0	""	""	1	1	"54613117"	NA
"749150"	749150	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1cccc(c1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	"54613005"	NA
"749151"	749151	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	"Clc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	"54613006"	NA
"749152"	749152	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	"54613007"	NA
"749160"	749160	"2-[4-(4-Chlorophenyl)piperazin-1-yl]-1-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]ethanone"	"Clc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccccc5)c(n4)c6ccccc6)CC2"	0	""	""	1	1	"54612995"	NA
"749161"	749161	"1-[4-(5,6-Diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccccc5)c(n4)c6ccccc6)CC2"	0	""	""	2	2	"54612996"	NA
"749169"	749169	"8h-thieno[2'3':4,5]pyrimido[2,1-a]phthalazin-8-one,5-[[3..."	"CN(C)CCCNC1=NN2C(=O)c3c(C)c(C)sc3N=C2c4ccccc14"	0	""	""	2	1	"1587482"	"380455049"
"749193"	749193	"(E)-1-(benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one"	"O=C(\C=C\c1c([nH]c2ccccc12)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"54613416"	NA
"749210"	749210	"3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone"	"COc1cc(OC)c(cc1CC=C(C)C)C(=O)\C=C\c2cccc(OC(=O)C)c2"	0	""	""	1	1	"54613272"	NA
"749220"	749220	"2-[3-(4-chlorophenyl)-1-phenyl-1h-pyrazol-5-yl]-3-(1h-py..."	"Clc1ccc(cc1)c2cc(\C(=C\c3ccc[nH]3)\C#N)n(n2)c4ccccc4"	0	""	""	2	2	"135968258"	NA
"749226"	749226	"Abiraterone"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5"	0	"Ho|CYP17A1"	"FDA approved"	2	2	"132971"	"154229193"
"749227"	749227	"Abiraterone"	"CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC=C4c5cccnc5)[C@@H]3CC=C2C1"	0	"Ho|CYP17A1"	"FDA approved"	1	1	"-1"	"154229182"
"749245"	749245	"n-(3-{(2e)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl..."	"CCN(CC)c1ccc(\C=C\C(=O)c2cccc(NS(=O)(=O)C)c2)cc1"	0	""	""	1	1	"54612807"	NA
"749292"	749292	"3-methoxy-1-nitrosopyrido[3,2:4,5]pyrrolo[1,2-c][1,2,3]b..."	"COc1ccc2c(c1)nnn3c4ncccc4c(N=O)c23"	0	""	""	2	2	"54613484"	NA
"749296"	749296	"2-methoxy-5h-pyrido[3,2:4,5]pyrrolo[3,2-c]cinnoline"	"COc1ccc2c(c1)nnc3c4cccnc4[nH]c23"	0	""	""	2	2	"54613488"	NA
"749297"	749297	"n'-{2-[2-(4-methoxy-phenyl)-vinyl]quinazolin-4-yl}-n,n-d..."	"COc1ccc(\C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1"	0	""	""	2	2	"54613149"	NA
"749337"	749337	"4-(4-chlorophenyl)-1-3-[(e)-3-(3-hydroxyphenyl)-2-propen..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)c1"	0	""	""	1	1	"49862080"	NA
"749338"	749338	"1-3-[(e)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)c1"	0	""	""	2	1	"49862081"	NA
"749377"	749377	"(r)-4-((1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-5,12-dimeth..."	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3CO)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	"46239449"	NA
"749379"	749379	"(E)-1-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	1	1	"54613477"	NA
"749380"	749380	"2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccccc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	"54613688"	NA
"749382"	749382	"4-N-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	"COc1ccc(cc1)c2cc(nc(N)n2)c3ccc(Nc4nc(Nc5ccccc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	"54612921"	NA
"749425"	749425	"h8631"	"OCC1OC(CC1O)N2C=C(CO)C(=O)NC2=O"	0	""	""	1	1	"5201346"	"5116245"
"749505"	749505	"3,4-diphenylisoxazolo[3,4-d]pyridazin-7(6h)-one"	"O=C1NN=C(c2ccccc2)c3c(onc13)c4ccccc4"	0	""	""	2	2	"54613569"	NA
"749518"	749518	"1-[(2z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1h-pyrazo..."	"N\C(=C/C(=O)n1nc(cc1N)c2ccccc2)\c3ccccc3"	0	""	""	1	1	"21825201"	NA
"749550"	749550	"3-amino-n-(4-benzylphenyl)-5-chloro-1h-indazole-1-carbox..."	"Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccc(Cl)cc14"	0	""	""	2	2	"51033073"	NA
"749600"	749600	"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate"	"CCOC(=O)CC1C(COC(=O)NC)OC(C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	1	1	"54613610"	NA
"749646"	749646	"1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccc(Cl)cc4)c5ccccc5)C(=O)C"	0	""	""	2	1	"46912850"	NA
"749650"	749650	"10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccc(Cl)cc5"	0	""	""	1	1	"46838535"	NA
"749651"	749651	"10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccc(F)cc5"	0	""	""	1	1	"46838670"	NA
"749652"	749652	"10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccccc5"	0	""	""	1	1	"46838672"	NA
"749673"	749673	"n1-(2,15-dioxo-1-(pyren-1-yl)-6,9,12-trioxa-3,16-diazano..."	"CN(CCCNC(=O)CCOCCOCCOCCNC(=O)Cc1ccc2ccc3cccc4ccc1c2c34)CCCNc5cc(nc6ccccc56)c7ccc8ccccc8c7"	0	""	""	2	2	"54613693"	NA
"749675"	749675	"3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,6-e][1,2,4]tri..."	"CN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(Cl)cc3"	0	""	""	2	2	"460749"	NA
"749712"	749712	"AT-13387"	"CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	"-1"	NA
"749713"	749713	"(e)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetr..."	"CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)\C(=O)O1"	0	""	""	2	2	"25053525"	NA
"749714"	749714	"(e)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzy..."	"CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)\C(=O)O1"	0	""	""	1	1	"25053461"	NA
"749717"	749717	"2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile"	"CCc1ccccc1N2C(=C(C#N)C(=C(C#N)C2=O)c3ccc(OC)c(OC)c3)N"	0	""	""	1	1	"54612904"	NA
"749732"	749732	"N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	"Nc1nc(N(Cc2ccccc2)c3ccccc3)c4cn[nH]c4n1"	0	""	""	1	1	"54613473"	NA
"749792"	749792	"Hexyl diethylcarbamo(dithioperoxo)thioate"	"CCCCCCSSC(=S)N(CC)CC"	0	""	""	1	1	"46700805"	NA
"749793"	749793	"2-Hydroxyethyl Diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSCCO"	0	""	""	1	1	"46700806"	NA
"749794"	749794	"Cyclohexyl diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSC1CCCCC1"	0	""	""	1	1	"46197114"	NA
"749795"	749795	"Isopropyl diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSC(C)C"	0	""	""	1	1	"46197112"	NA
"749798"	749798	"z-endoxifen"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	NA	NA	2	2	"131407610"	"112093284"
"749802"	749802	"(e)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidaz..."	"COc1ccc(cc1OC)C(=O)\C=C\c2c(nc3sccn23)C(F)(F)F"	0	""	""	1	1	"51353472"	NA
"749804"	749804	"(e)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thi..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sc(C)cn23)c4ccc(F)cc4"	0	""	""	1	1	"51353357"	NA
"749805"	749805	"1-3-[(e)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-nap..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc5ccccc5c4)c1"	0	""	""	1	1	"54613695"	NA
"749856"	749856	"2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione"	"COC1=NC2=C(CN(C(=O)CN2C)c3ccccc3)C(=O)N1C"	0	""	""	1	1	"54613014"	NA
"749858"	749858	"6-cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione"	"CSC1=NC2=C(CN(C3CCCCC3)C(=O)C(N2)c4ccccc4)C(=O)N1C"	0	""	""	1	1	"54613016"	NA
"749862"	749862	"3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-1h-pyr..."	"COc1ccc(cc1)c2nc(cs2)c3cn(C)c4ncccc34"	0	""	""	1	1	"54613605"	NA
"749863"	749863	"3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1h-pyrrolo[2,3-b..."	"Clc1ccc(cc1)c2nc(cs2)c3c[nH]c4ncccc34"	0	""	""	1	1	"54613606"	NA
"749867"	749867	"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1h-pyrrolo[2,3-b..."	"Fc1cccc(c1)c2nc(cs2)c3c[nH]c4ncccc34"	0	""	""	1	1	"54613609"	NA
"749868"	749868	"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1h-pyrr..."	"Cn1cc(c2csc(n2)c3cccc(F)c3)c4cccnc14"	0	""	""	1	1	"53361472"	NA
"749870"	749870	"1-methyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1h-pyrr..."	"Cc1ccc(cc1)c2nc(cs2)c3cn(C)c4ncccc34"	0	""	""	2	2	"53361471"	NA
"749871"	749871	"ethyl 9-methyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetrahyd..."	"CCOC(=O)c1[nH]c2CSC3=C(NC(=O)C(=C3)S(=O)(=O)c4ccccc4)c2c1C"	0	""	""	1	1	"54612951"	NA
"749872"	749872	"ethyl 7,9-dimethyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetr..."	"CCOC(=O)c1c(C)c2C3=C(SCc2n1C)C=C(C(=O)N3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	"54612952"	NA
"749874"	749874	"8-methyl-3-(phenylsulfonyl)-6,7-dihydropyrrolo[3',2':4,5..."	"Cc1cc2C3=C(SCc2[nH]1)C=C(C(=O)N3)S(=O)(=O)c4ccccc4"	0	""	""	2	2	"54612954"	NA
"749884"	749884	"ethyl 1-benzyl-3-methyl-4-oxo-1,4,5,7-tetrahydrothiopyra..."	"CCOC(=O)c1c(C)c2C(=O)CSCc2n1Cc3ccccc3"	0	""	""	1	1	"54613702"	NA
"749908"	749908	"Ferric-taxol"	"CC(=O)O[C@@H]1C2=C(C)[C@@H]3C[C@@]4([C@H]5OC(=[O][Fe+3]67([O]=C(O3)[C@@H]([C@@H](NC(=O)c8ccccc8)c9ccccc9)[O-]6)([O]=C1[C@]%10(C)[C@H](C[C@H]%11OC[C@@]%11(OC(=O)C)[C@@H]5%10)[O-]7)[O-]4)c%12ccccc%12)C2(C)C"	0	""	""	2	2	"54612932"	NA
"749909"	749909	"4-methoxy-2,6-bis[hydroxy(methyl)amino]-1,3,5-triazine"	"COc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	1	1	"46191705"	NA
"749910"	749910	"bis[4-morpholino-2,6-bis[hydroxy(methyl)amino]-1,3,5-tri..."	"CN1[OH+][Fe+3]234([O-]N(C)c5nc(nc1[n+]25)N6CCOCC6)[O-]N(C)c7nc(nc(N(C)[O-]3)[n+]47)N8CCOCC8"	0	""	""	1	1	"54613128"	NA
"749923"	749923	"g-tpp"	"CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	"131408075"	NA
"749924"	749924	"gamitrinib-g4"	"COC1CC(C)CC2=C(NCCCNC(=O)CCCN3C(=O)CC(SCC4CCN5CCC(CSCC6CCN7CCC(CSCC8CCN9CCC(CSCC%10CCN%11CCC(CO[Si](c%12ccccc%12)(c%13ccccc%13)C(C)(C)C)N=C%11N%10)N=C9N8)N=C7N6)N=C5N4)C3=O)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	NA	NA	2	2	"131408076"	NA
"750003"	750003	"2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	"COc1ccc(CN2CCc3c(Cl)nc(N)nc3C2=O)c(OC)c1"	0	""	""	1	1	"54613055"	NA
"750034"	750034	"[(4E)-4-[2-[3-(2-bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate"	"CC(=O)OC1COC(=O)/C/1=C/CC2C(=C)CCC3C4(C)COC(OC4CCC23C)c5ccccc5Br"	0	""	""	2	1	"54613248"	NA
"750035"	750035	"[(4E)-4-[2-(3,3,6a,10b-tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate"	"CC(=O)OC1COC(=O)/C/1=C/CC2C(=C)CCC3C2(C)CCC4OC(C)(C)OCC34C"	0	""	""	2	2	"25121273"	NA
"750038"	750038	"4-[(E)-2-[3-(4-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccc(Cl)cc5"	0	""	""	1	1	"54613025"	NA
"750039"	750039	"4-[(E)-2-[3-(3-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5cccc(Cl)c5"	0	""	""	1	1	"54613026"	NA
"750040"	750040	"4-[(E)-2-[3-(2-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccccc5Cl"	0	""	""	1	1	"54613027"	NA
"750050"	750050	"2,2',4,4',6,6'-Hexamethoxychalcone"	"COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	2	2	"6312440"	NA
"750054"	750054	"3-(3,7-dimethyl-1,4-dioxyquinoxalin-2-yl)-1-(3,4,5-trime..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(C)cc3[n+]2[O-]"	0	""	""	2	2	"53362837"	NA
"750100"	750100	"4-[5-(phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benze..."	"NS(=O)(=O)c1ccc(cc1)n2nc(C[Se]C#N)cc2c3ccccc3"	0	""	""	2	2	"24770674"	NA
"750104"	750104	"5,10-dimethoxybenzo[g]quinolin-2(1H)-one"	"COc1c2NC(=O)C=Cc2c(OC)c3ccccc13"	0	""	""	2	2	"54612875"	NA
"750106"	750106	"5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1h)..."	"COc1ccc(cc1)C2=CC(=O)Nc3c(OC)c4ccccc4c(OC)c23"	0	""	""	2	2	"54613526"	NA
"750107"	750107	"5-chloro-7h-naphtho[3,2,1-ij][2,7]naphthyridin-7-one"	"Clc1cc2ccnc3c4ccccc4C(=O)c(n1)c23"	0	""	""	2	2	"54613527"	NA
"750146"	750146	"3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl..."	"Cc1cc(O)c(cc1Cl)C2=NN(C(C2)c3ccccc3O)c4ccc(cc4)S(=O)(=O)N"	0	""	""	2	2	"135968246"	NA
"750148"	750148	"3-(2-hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)..."	"Cc1cc(O)c(cc1Cl)C2=NN(C(C2)\C=C\c3ccccc3)c4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	"135968248"	NA
"750153"	750153	"Salarin A"	"CCCCCCCC(=O)OCC\C=C\C1OC1C2OC(=O)\C=C/C=C/C(=O)N(C(=O)C)C(=O)\C=C(\C)/CCC3OC3C2OC(=O)NC(=O)C"	0	""	""	1	1	"24766296"	NA
"750154"	750154	"salarin C"	"CCCCCCCC(=O)OCC\C=C\C1OC1C2OC(=O)\C=C/C=C/c3nc(oc3C)\C=C(\C)/CCC4OC4C2OC(=O)NC(=O)C"	0	""	""	2	2	"24867082"	NA
"750180"	750180	"(3S,3aS,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile"	"C[C@H]1C[C@@H](CC(C)(C)C#N)[C@H]2[C@@H]3[C@@H]1CC[C@H](C)[C@]3(CCC2=C)C#N"	0	""	""	1	1	"54613706"	NA
"750182"	750182	"e-endoxifen"	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCNC)cc2)\c3ccccc3"	0	""	""	2	2	"3035980"	"114828909"
"750210"	750210	"2-(2-Hydroxyethyl)-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	"15516367"	NA
"750211"	750211	"5-(2-hydroxyethyl)-9-phenyl-6,9-dihydro-[1,3]dioxolo[4,5..."	"OCCN1C2=C(C(c3ccccc3)c4cc5OCOc5cc14)C(=O)OC2"	0	""	""	1	1	"50900736"	NA
"750213"	750213	"4-(2-hydroxyethyl)-10-phenyl-3,4,6,7,8,10-hexahydro-1h-c..."	"OCCN1C2=C(C(c3ccccc3)c4cc5CCCc5cc14)C(=O)OC2"	0	""	""	2	2	"50900824"	NA
"750227"	750227	"N-(4-methoxyphenyl)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]propanamide"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)CCSC3=C(C)C(=O)c4ccccc4C3=O"	0	""	""	2	2	"44226544"	NA
"750233"	750233	"(z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione"	"CCN(CC)c1ccc(\C=C/2\NC(=O)NC2=O)cc1"	0	""	""	2	2	"6376972"	NA
"750255"	750255	"[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate"	"OC1(CC(CSC#N)OC(C1c2ccccc2)c3ccc(F)cc3)c4ccccc4"	0	""	""	2	2	"54613759"	NA
"750285"	750285	"dp1"	"Oc1ccc(cc1)C(=C2CCC34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C2%10=C%11%12)c%13ccc(O)cc%13"	0	NA	NA	2	2	"131407473"	NA
"750289"	750289	"[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate"	"OC1(CC(CSC#N)OC(C1)c2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	1	"54613214"	NA
"750324"	750324	"9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	"CC1(C)C(O)CCC2(C)C1CCC3(C)C2CCC4C5C(CCC5(CCC34C)C(=O)O)C(=C)C=O"	0	""	""	2	2	"22149181"	NA
"750325"	750325	"9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	"CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC(=O)NCc6ccccc6)C(C)(C)C5CCC34C)C12)C(=O)O"	0	""	""	1	1	"54613426"	NA
"750330"	750330	"4-phenyl-1-3-[(e)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	"49862043"	NA
"750331"	750331	"4-(3,4,5-trimethoxyphenyl)-1-3-[(e)-3-(3,4,5-trimethoxyp..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	1	1	"49862041"	NA
"750332"	750332	"4-(4-chlorophenyl)-1-3-[(e)-3-(3,4,5-trimethoxyphenyl)-2..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)cc(OC)c1OC"	0	""	""	1	1	"49862040"	NA
"750334"	750334	"4-(4-methoxyphenyl)-1-3-[(e)-3-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1)C2=CN(C(=O)N2)c3cccc(c3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"49862042"	NA
"750335"	750335	"(e)-3-(2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-1-..."	"COc1ccc(cc1)c2nc3ccccn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"54613570"	NA
"750340"	750340	"(e)-3-(2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl..."	"COc1ccc(cc1OC)c2nc3ccccn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"54613357"	NA
"750341"	750341	"7,8-Dihydroxyflavone"	"Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3"	0	""	""	1	1	"1880"	"38183038"
"750343"	750343	"2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	"COc1ccc(CN2CCc3c(Sc4ccccc4)nc(N)nc3C2=O)c(OC)c1"	0	""	""	1	1	"54613057"	NA
"750393"	750393	"z-endoxifen hydrochloride"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	""	""	2	1	"54613017"	"1032008744"
"750395"	750395	"methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate"	"COC(=O)c1cc2cc(cnc2[nH]1)c3ccc(OC)cc3"	0	""	""	2	2	"54613075"	NA
"750399"	750399	"6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine"	"Clc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc(c4)N5CCNCC5"	0	""	""	1	1	"54613079"	NA
"750421"	750421	"GPP78"	"O=C(CCCCCCCn1cc(nn1)c2cccnc2)Nc3ccccc3c4ccccc4"	0	""	""	2	2	"44819697"	NA
"750423"	750423	"10-(2-carbamothioylhydrazinyl)-10-demethoxycolchicine mo..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NNC(=S)N"	0	""	""	2	2	"54613618"	NA
"750424"	750424	"pu-h71.2hcl"	"CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c(N)ncnc14"	0	NA	NA	2	2	"131407614"	NA
"750440"	750440	"(13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione"	"CC(C)CCC[C@@H](C)[C@H]1CCC2C3=CCC4C(C3CC[C@]12C)C(=O)C=CC4=O"	0	""	""	2	2	"54613423"	NA
"750441"	750441	"(14R,15R)-15-methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione"	"CC(C)CCC[C@@H](C)[C@H]1CCC2C3=CCN4N(C3CC[C@]12C)C(=O)C=CC4=O"	0	""	""	2	1	"54613624"	NA
"750485"	750485	"[(1H-benzimidazole-2-yl)dithio]-9H-purine"	"S(Sc1nc2cncnc2[nH]1)c3nc4ccccc4[nH]3"	0	""	""	2	2	"54613148"	NA
"750491"	750491	"Nakiterpiosin"	"C[C@H]1C[C@@H](OC1=O)[C@@H](O)[C@@H](C(Cl)Cl)c2ccc3[C@@H]4C[C@@H](Br)[C@@]56O[C@@H](CO[C@H]5O)CC6(C)[C@H]4C(=O)c3c2C"	0	""	""	2	2	"54613361"	NA
"750493"	750493	"2-(2-hydroxyphenyl)-3-[5-(1h-imidazol-1-ylmethyl)-1,3,4-..."	"Oc1ccccc1C2SCC(=O)N2c3oc(Cn4ccnc4)nn3"	0	""	""	1	1	"54613708"	NA
"750501"	750501	"1,5-bis[4-(n-butylamidino)phenoxy]-3-tiapentane dihydroc..."	"CCCCNC(=N)c1ccc(OCCSCCOc2ccc(cc2)C(=N)NCCCC)cc1"	0	""	""	1	1	"54613223"	NA
"750510"	750510	"(3Z)-1-(2,6-dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one"	"Clc1cccc(Cl)c1N2C(=O)\C(=C/C3=COc4ccccc4C3=O)\c5ccccc25"	0	""	""	1	1	"49844091"	NA
"750634"	750634	"Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride"	"CC(C)(C)P1(C)c2nc3ccccc3nc2P(C)([Au+]14P(C)(c5nc6ccccc6nc5P4(C)C(C)(C)C)C(C)(C)C)C(C)(C)C"	0	""	""	2	1	"54613360"	NA
"750685"	750685	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine"	"CSc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccccc5"	0	""	""	1	1	"54612800"	NA
"750690"	750690	"Sunitinib"	"CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C"	0	"PK:YK,PDGFR,KIT,VEGFR,Multikinase"	"FDA approved"	6	6	"5329102"	"557795194"
"750691"	750691	"Afatinib"	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	"10184653"	"439081182"
"750717"	750717	"5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,9-dihydro-[1,3]..."	"COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	"50900735"	NA
"750718"	750718	"9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-hydroxyethyl)-6,9..."	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	"50900821"	NA
"750720"	750720	"6-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-2,3,7,10-..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	"50900825"	NA
"750721"	750721	"10-(3,4-dimethoxyphenyl)-6-(2-hydroxyethyl)-2,3,7,10-tet..."	"COc1ccc(cc1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	"50900826"	NA
"750722"	750722	"6-(2-hydroxyethyl)-10-(3-methoxyphenyl)-2,3,7,10-tetrahy..."	"COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	"50900910"	NA
"750723"	750723	"6-(2-hydroxyethyl)-10-phenyl-2,3,7,10-tetrahydro-[1,4]di..."	"OCCN1C2=C(C(c3ccccc3)c4cc5OCCOc5cc14)C(=O)OC2"	0	""	""	2	2	"50900911"	NA
"750742"	750742	"(e)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,1-b] thiaz..."	"COc1ccc(cc1)c2nc3sc(C)cn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	"51353353"	NA
"750743"	750743	"(e)-3-(6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5-yl)-1-(3..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sccn23)c4cccs4"	0	""	""	1	1	"50908742"	NA
"750744"	750744	"(e)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sc(C)cn23)c4cccs4"	0	""	""	1	1	"54613218"	NA
"750746"	750746	"(e)-1-(3,4-dimethoxyphenyl)-3-(2-(trifluoromethyl)imidaz..."	"COc1ccc(cc1OC)C(=O)\C=C\c2c(nc3ccccn23)C(F)(F)F"	0	""	""	2	2	"54599698"	NA
"750759"	750759	"7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,5,6,7-t..."	"CN1C(=O)C(=CC2=C1c3cnn(c3CC2)c4ccc(Cl)cc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	"54613020"	NA
"750762"	750762	"2-methoxy-7-benzyl-3-(phenylsulfonyl)-6,7-dihydro-5h-pyr..."	"COc1nc2c(CCc3c2cnn3Cc4ccccc4)cc1S(=O)(=O)c5ccccc5"	0	""	""	1	1	"54613023"	NA
"750774"	750774	"4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine"	"NS(=O)(=O)N(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	"54613153"	NA
"750802"	750802	"N-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide"	"COc1cc(ccc1NC(=O)COc2ccc(Cl)cc2)c3nc4ccccc4s3"	0	""	""	1	1	"54613630"	NA
"750838"	750838	"N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide"	"Clc1ccc(SCC(=O)Nc2ccc(c(Cl)c2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	"22781840"	NA
"750842"	750842	"2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide"	"Clc1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1c4nc5ccccc5s4"	0	""	""	1	1	"54613168"	NA
"750859"	750859	"[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic aci..."	"Oc1ccccc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Cl)cc4"	0	""	""	1	1	"135968290"	NA
"750870"	750870	"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-d..."	"COc1cc(cc(OC)c1OC)\C(=C/2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5ccc6ccccc6c5"	0	""	""	1	1	"54613227"	NA
"750873"	750873	"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-me..."	"COc1ccc(cc1O)\C(=C/2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	"54576091"	NA
"750892"	750892	"2,7-bis-[2-(2-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8..."	"COc1ccccc1CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46"	0	""	""	2	1	"54613234"	NA
"750908"	750908	"3-hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide"	"Oc1cc2ccccc2cc1C(=O)NNC(=O)\C=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	"53241629"	NA
"750912"	750912	"2-oxo-2-(3-phenyltellanyl)propylamino)ethyl 3-(3-methyl-..."	"CC1=C(SCCC(=O)OCC(=O)NCCC[Te]c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	1	"44226543"	NA
"750915"	750915	"(E)-N-[(E)-benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	"COc1ccc(OC)c(\C=C\C(=O)N\N=C\c2ccccc2)c1"	0	""	""	1	1	"54613059"	NA
"750916"	750916	"(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	"COc1ccc(OC)c(\C=C\C(=O)N\N=C\c2ccc(Cl)cc2)c1"	0	""	""	2	2	"54613060"	NA
"750937"	750937	"WZB117"	"Oc1cccc(c1)C(=O)Oc2cccc(F)c2OC(=O)c3cccc(O)c3"	0	""	""	1	1	"46830365"	NA
"750970"	750970	"3-[(e)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimid..."	"Fc1ccc(cc1)S(=O)(=O)N2CCC(CC2)c3nc(\C=C/4\C(=O)Nc5ccccc45)c6ccccn36"	0	""	""	1	1	"54613720"	NA
"751042"	751042	"methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate"	"COC(=O)c1ccc2c(c1)nc(C3=Cc4ccccc4NC3=O)n2c5cc(n[nH]5)C(C)(C)C"	0	""	""	2	2	"135968230"	NA
"751109"	751109	"(z)-5-((e)-3-(4-(diethylamino)phenyl)allylidene)imidazol..."	"CCN(CC)c1ccc(\C=C\C=C\2/NC(=O)NC2=O)cc1"	0	""	""	1	1	"53495015"	NA
"751131"	751131	"tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	"54613363"	NA
"751132"	751132	"N-(4-methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)c3ccccc3"	0	""	""	1	1	"54613364"	NA
"751151"	751151	"n-{(7s)-10-[[(e)-2-s-trans]-2-carbamothioyldiazenyl]-5,6..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)N=NC(=S)N.CC(=O)O.CC(=O)O[Na]"	0	""	""	2	2	"54613368"	NA
"751152"	751152	"3-(6/7-trifluoro-3-methyl-1,4-dioxy-quinoxaline-2-yl)-1-..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(cc3[n+]2[O-])C(F)(F)F"	0	""	""	2	2	"54613307"	NA
"751165"	751165	"KGEJYSFIEAQAKU-UHFFFAOYSA-N"	"ONC(=O)CCCCCCc1nc2cc(Br)ccc2[nH]1"	0	""	""	2	1	"54613496"	NA
"751166"	751166	"N-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide"	"COCCn1c(Nc2ccc(cc2)C(=O)NO)nc3ccccc13"	0	""	""	1	1	"49831244"	NA
"751266"	751266	"2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	"Cc1nc(SCC(=O)Nc2nc(cs2)c3ccc(Cl)cc3)n(Nc4ccccc4)c1C"	0	""	""	1	1	"54613367"	NA
"751269"	751269	"2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide"	"Cc1ccc(Nn2c(C)c(C)nc2SCC(=O)Nc3nc(cs3)c4ccccc4)cc1"	0	""	""	1	1	"54613544"	NA
"751271"	751271	"N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide"	"COc1ccc(Nn2c(C)c(C)nc2SCC(=O)Nc3nc(cs3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	"54613443"	NA
"751275"	751275	"STK219798"	"CC1=NN(C(=O)/C/1=C\C=C\c2ccccc2)c3cccc(Cl)c3"	0	""	""	1	1	"6485117"	NA
"751277"	751277	"2-(3-chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one"	"CC1=NN(C(=O)/C/1=C\c2cc3ccccc3cc2O)c4cccc(Cl)c4"	0	""	""	1	1	"54613497"	NA
"751278"	751278	"(3Z)-1-(2,6-dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one"	"Clc1cccc(Cl)c1N2C(=O)\C(=C/c3ccccn3)\c4ccccc24"	0	""	""	2	1	"49845169"	NA
"751281"	751281	"desmethyleleutherobin"	"CC(C)[C@H]1CC=C(C)[C@@H]2CC(OC(=O)\C=C\c3cn(C)cn3)[C@@]4(C)O[C@](O)(C=C4)\C(=C/C12)\COC5OCC(O)C(O)C5OC(=O)C"	0	""	""	2	2	"54613300"	NA
"751286"	751286	"wa007-00"	"Cn1c2ccccc2c3nnc(NNCc4ccccn4)nc13"	0	""	""	2	1	"54613170"	NA
"751295"	751295	"diaporthein b"	"CC1(C)CCC[C@]23CO[C@](O)(C(=O)C4=C[C@](C)(CC(O)C24O)C=C)C13O"	0	""	""	2	2	"54612739"	NA
"751297"	751297	"Y-27632"	"C[C@@H](N)[C@@H]1CC[C@H](CC1)C(=O)Nc2ccncc2"	0	"RHO"	"Clinical trial"	2	2	"-1"	"129830382"
"751298"	751298	"n-(4-chlorophenyl)-3-hydroxy-2-naphthamide"	"Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	"131408421"	NA
"751300"	751300	"2-[3-(3-aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3..."	"NCCCOc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3OC(=O)c4cc5ccccc5cc4OCCCN"	0	""	""	2	1	"54613723"	NA
"751342"	751342	"12h-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide, n-[2..."	"CN(C)CCNC(=O)C1=CC=CN2C(=O)c3cc4ccccc4cc3N=C12"	0	""	""	2	1	"3508054"	"896705161"
"751382"	751382	"n-(3-((2,5-dimethylbenzyl)oxy)-4-(n-methylmethylsulfonam..."	"CN(c1ccc(NC(=O)c2ccc3OCOc3c2)cc1OCc4cc(C)ccc4C)S(=O)(=O)C"	0	""	""	2	2	"56967399"	NA
"751393"	751393	"2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(pheny..."	"CCN1C(=C2SC(=C(S2)C(=O)c3ccccc3)C(=O)c4ccccc4)C(=S)SC5=C1C(=O)\C(=N\c6ccccc6)\S5"	0	""	""	2	2	"60147505"	NA
"751418"	751418	"coc1ccc(cc1)c2nc(\c=c\3/sc(=nc3=o)ncc4ccccc4)c5ccccn25"	"COc1ccc(cc1)c2nc(\C=C\3/SC(=NC3=O)NCc4ccccc4)c5ccccn25"	0	""	""	2	1	"136040088"	NA
"751465"	751465	"Go-Y032"	"COc1ccc(\C=C\2/CCC\C(=C/c3ccc(OC)c(OC)c3)\C2=O)cc1OC"	0	""	""	1	1	"1714173"	NA
"751494"	751494	"(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one"	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](OCCc3ccccc3)(O2)[C@@H]4CSC(=O)N4)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	"46239554"	NA
"751500"	751500	"8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1ccc(cc1OC)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	2	2	"54579427"	NA
"751501"	751501	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	2	2	"54579200"	NA
"751502"	751502	"2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1ccc(cc1)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	1	1	"54579201"	NA
"751503"	751503	"17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	"54579202"	NA
"751516"	751516	"6,7-dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxym..."	"COc1ccc(cc1OC)[C@@H]2C(CO)C(=Cc3cc(OC)c(OC)cc23)C=O"	0	""	""	1	1	"60147549"	NA
"751548"	751548	"Salinomycin"	"CC[C@H](C1CC[C@H](C)C(O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)C5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	"Apo|Ab|CD133"	"FDA approved"	2	2	"60147550"	"55721318"
"751600"	751600	"acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydr..."	"[Cl-].[Cl-].COc1ccc2Nc3cc(ccc3\C(=N/Nc4ccccc4)\c2c1)[N+](=O)[O-].COc5ccc6nc7cc(ccc7c(NNc8ccccc8)c6c5)[N+](=O)[O-]"	0	""	""	1	1	"60147553"	NA
"751605"	751605	"(e)-n-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-y..."	"O=C(NCCCCC1CCCN(C1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	""	""	2	2	"18425712"	"201034755"
"751619"	751619	"2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol"	"Oc1ccc(Cc2ccc(O)c(c2)C3CC(=NN3)c4ccc(Cl)cc4)cc1C5CC(=NN5)c6ccc(Cl)cc6"	0	""	""	2	1	"53306274"	NA
"751620"	751620	"4-[[4-hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol"	"COc1ccc(cc1)C2=NNC(C2)c3cc(Cc4ccc(O)c(c4)C5CC(=NN5)c6ccc(OC)cc6)ccc3O"	0	""	""	1	1	"53306275"	NA
"751623"	751623	"(9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one"	"CSC1=NC2=C(C(C3=C(N2)\C(=C\c4ccccc4)\CCC3)c5ccccc5)C(=O)N1C"	0	""	""	1	1	"60147558"	NA
"751642"	751642	"triptolide n,n-dimethylacetate, (3bs,4as,5ar,6r,6as,7as,..."	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OC(=O)CN(C)C"	0	""	""	2	2	"15867606"	NA
"751644"	751644	"LDN-211904"	"Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4"	0	""	""	2	2	"46175113"	NA
"751829"	751829	"2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenyl..."	"OC1CCN(CC1)c2nc(Nc3cccc(c3)C(F)(F)F)c4C(=O)NC=Cc4n2"	0	""	""	1	1	"58494270"	NA
"751830"	751830	"2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)p..."	"OC1CCN(CC1)c2nc(Nc3ccc(cc3)N4CCOCC4)c5C(=O)NC=Cc5n2"	0	""	""	2	2	"58494192"	NA
"751833"	751833	"2-((1r,2r)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)..."	"CS(=O)(=O)c1ccc(Nc2nc(N[C@H]3CCCC[C@H]3N)nc4C=CNC(=O)c24)cc1"	0	""	""	1	1	"60147618"	NA
"751836"	751836	"2-((1r,2s)-2-aminocyclohexylamino)-4-(3,5-dimethoxypheny..."	"COc1cc(Nc2nc(N[C@H]3CCCC[C@@H]3N)nc4C=CNC(=O)c24)cc(OC)c1"	0	""	""	1	1	"60147620"	NA
"751858"	751858	"n-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine"	"N(c1ccccn1)c2nc(cs2)c3ccccn3"	0	"HDAC"	""	2	2	"772885"	NA
"751860"	751860	"6-[{5-(pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9h-pu..."	"o1c(SSc2ncnc3[nH]cnc23)nnc1c4ccncc4"	0	""	""	1	1	"60147622"	NA
"751864"	751864	"(3Z)-3-[[1-(2,6-dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one"	"Clc1cccc(Cl)c1C(=O)n2cc(\C=C\3/C(=O)Nc4ccccc34)c5ccccc25"	0	""	""	1	1	"49844546"	NA
"751896"	751896	"3-(e)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]me..."	"Fc1ccccc1c2nc(\C=C/3\C(=O)Nc4ccccc34)c5ccccn25"	0	""	""	1	1	"53248929"	NA
"751898"	751898	"2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-..."	"COc1cc(ccc1F)c2cncn2c3ccc(cc3)c4nc5ccc(F)cc5s4"	0	""	""	1	1	"60147633"	NA
"751899"	751899	"5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1h-1-imida..."	"COc1cc(OC)c2sc(nc2c1)c3ccc(cc3)n4cncc4c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	"60147634"	NA
"751902"	751902	"2-4-[5-(3,4-dimethoxyphenyl)-1h-1-imidazolyl]phenyl-5,7-..."	"COc1cc(OC)c2sc(nc2c1)c3ccc(cc3)n4cncc4c5ccc(OC)c(OC)c5"	0	""	""	1	1	"60147635"	NA
"751955"	751955	"2,2',4,6,6'-Pentamethoxychalcone"	"COc1cc(OC)c(\C=C\C(=O)c2c(OC)cccc2OC)c(OC)c1"	0	""	""	2	2	"16655018"	NA
"751956"	751956	"(E)-1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	"16753966"	NA
"751957"	751957	"(E)-1-(2-amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(N)c(C(=O)\C=C\c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	2	2	"60147636"	NA
"751958"	751958	"(2e)-2-(all-trans retinylidene)-n-{[(2e)-2-(all-trans re..."	"O.[Na+].C\C(=C/C=N/NC(=S)NC(=S)N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	2	1	"144073873"	NA
"751959"	751959	"(2e)-2-(all-trans retinylidene)-n-{[(2e)-2-(all-trans re..."	"O.[Na+].C\C(=C/C=N/NC(=S)NC(=S)N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	2	2	"144073874"	NA
"752178"	752178	"n-{4-[3-(4-chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-a..."	"[O-][N+](=O)OCC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2"	0	""	""	1	1	"57392326"	NA
"752193"	752193	"3,3'-((1e,4e)-3-oxopenta-1,4-diene-1,5-diyl)diquinolin-2..."	"O=C(\C=C\C1=Cc2ccccc2NC1=O)\C=C\C3=Cc4ccccc4NC3=O"	0	""	""	3	2	"60147682"	NA
"752200"	752200	"4-amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile"	"COc1cc(cc(OC)c1OC)c2nc(Nc3nc4ccccc4[nH]3)nc(N)c2C#N"	0	""	""	2	2	"60147685"	NA
"752203"	752203	"GTPL8141"	"COc1ccccc1n2c(cn3c4C(=O)NC(=O)N(C)c4nc23)c5cc(O)ccc5C"	0	""	""	1	1	"44478401"	NA
"752245"	752245	"derivative of dibenzothiazepine"	"COc1ccc(NC2=C(C#N)C(=O)N(N2)C3=Nc4ccccc4Sc5ccccc35)cc1"	0	""	""	1	1	"60147696"	NA
"752270"	752270	"2,7-bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8..."	"O.Cc1ccc(cc1)S(=O)(=O)O.Clc2ccccc2CNCCCN3C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6Cl)C(=O)c7ccc(C3=O)c4c57"	0	""	""	2	1	"60147715"	NA
"752271"	752271	"2,7-bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8..."	"O.Cc1ccc(cc1)S(=O)(=O)O.Fc2ccccc2CNCCCN3C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6F)C(=O)c7ccc(C3=O)c4c57"	0	""	""	2	1	"60147717"	NA
"752272"	752272	"2,7-bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthro..."	"O.Cc1ccc(cc1)S(=O)(=O)O.O=C2N(CCCNCc3ccccc3)C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6)C(=O)c7ccc2c4c57"	0	""	""	2	2	"60147719"	NA
"752273"	752273	"2,7-bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[..."	"O.COc1ccc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5ccc(OC)c(OC)c5OC)C(=O)c6ccc(C2=O)c3c46)c(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	"60147721"	NA
"752274"	752274	"2,7-bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,..."	"O.COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	1	"60147723"	NA
"752275"	752275	"2,7-bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8..."	"O.COc1cccc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5cccc(OC)c5)C(=O)c6ccc(C2=O)c3c46)c1.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	1	1	"60147724"	NA
"752278"	752278	"2,7-bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[l..."	"O.COc1ccc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5ccc(OC)c(OC)c5OC)C(=O)c6ccc(C2=O)c3c46)c(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	"60147730"	NA
"752307"	752307	"6-amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile"	"Cc1cc2nc([nH]c2cc1C)c3c(N)ncc(C#N)c3c4ccc(Cl)cc4"	0	""	""	1	1	"54576527"	NA
"752308"	752308	"6-amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2c(cnc(N)c2c3nc4cc(C)c(C)cc4[nH]3)C#N"	0	""	""	1	1	"54576528"	NA
"752329"	752329	"(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine"	"N(\N=C/c1ccccn1)c2ncnc3[nH]cnc23"	0	""	""	2	2	"60147744"	NA
"752330"	752330	"6-(2-(propan-2-ylidene)hydrazinyl)-9h-purine-9-beta-d-ri..."	"CC(=NNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C"	0	""	""	2	2	"60147745"	NA
"752331"	752331	"(z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9h-purine-9-..."	"OCC1OC(C(O)C1O)n2cnc3c(N\N=C/c4ccccn4)ncnc23"	0	""	""	2	2	"60147746"	NA
"752338"	752338	"cresyl violet acetate"	"Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1"	0	""	""	2	2	"135445693"	"10510540"
"752339"	752339	"phenol, 4-[(6-chloro-2-quinoxalinyl)oxy]-"	"Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1"	0	""	""	1	1	"10989408"	"76578795"
"752343"	752343	"N-[3-[6-amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide"	"CS(=O)(=O)Nc1cccc(c1)c2cc(c3ccccc3Cl)c(C#N)c(N)n2"	0	""	""	2	2	"60147748"	NA
"752344"	752344	"N-[3-[6-amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	"60147749"	NA
"752345"	752345	"N-[3-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide"	"CN(C)c1ccc(cc1)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	"60147750"	NA
"752346"	752346	"N-[3-[6-amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide"	"COc1cccc(c1O)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	"136040123"	NA
"752361"	752361	"N-[2-(2,6-dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide"	"CC1SC(N(NC(=O)c2[nH]c3ccc(F)cc3c2c4ccccc4)C1=O)c5c(Cl)cccc5Cl"	0	""	""	1	1	"60147755"	NA
"752362"	752362	"2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroli..."	"O=C1N(CCNCc2ccccc2)C(=O)c3ccc4C(=O)N(CCNCc5ccccc5)C(=O)c6ccc1c3c46"	0	""	""	1	1	"60147756"	NA
"752365"	752365	"2-[6-(4-hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]i..."	"COc1cc(CNCCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)ccc1O"	0	""	""	1	1	"60147760"	NA
"752384"	752384	"N-(4-chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine"	"COc1ccc(OC)c(\C=C\c2oc(Nc3ccc(Cl)cc3)nn2)c1"	0	""	""	1	1	"60147767"	NA
"752385"	752385	"2-(4-chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione"	"COc1ccc(OC)c(\C=C\c2nc(S)n(n2)c3ccc(Cl)cc3)c1"	0	""	""	1	1	"60147768"	NA
"752389"	752389	"Shogaol"	"CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1"	0	""	""	1	1	"5281794"	"555668"
"752397"	752397	"[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro..."	"COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccc(OC)c(OC)c4"	0	""	""	2	2	"60147773"	NA
"752398"	752398	"4-[5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3..."	"COc1ccc(cc1OC)C2=NN(C(C2)c3ccc(cc3)C#N)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"60147774"	NA
"752432"	752432	"4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1..."	"COc1cc2nc(sc2c(OC)c1OC)c3ccc(cc3)n4cncc4c5ccc(N)cc5"	0	""	""	1	1	"60147789"	NA
"752442"	752442	"2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl..."	"COc1ccc(cc1N)c2cncn2c3ccc(cc3)c4nc5cc(OC)c(OC)c(OC)c5s4"	0	""	""	1	1	"60147797"	NA
"752461"	752461	"3-(3-fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine"	"Fc1cccc(c1)c2n[nH]c3nc(Nc4cccnc4)sc23"	0	""	""	1	1	"60147811"	NA
"752463"	752463	"(4z)-3a,4-dihydro-4-((e)-1-hydroxy-3-phenylallylidene)be..."	"O\C(=C/1\[C@H]2CC(=O)O[C@H]2C=CC1=O)\C=C\c3ccccc3"	0	""	""	1	1	"10379026"	"39012050"
"752464"	752464	"methyl 2-((s,3z)-6-((e)-1-hydroxy-3-phenylallylidene)-5-..."	"COC(=O)C[C@@H]1CC=CC(=O)/C/1=C(\O)/C=C/c2ccccc2"	0	""	""	2	2	"60147813"	NA
"752476"	752476	"(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(CCc3cccs3)C2=O)c4ccccc4)cc1"	0	""	""	1	1	"60147820"	NA
"752480"	752480	"2-N-(4-chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	"Clc1ccc(Nc2nc(Nc3ccccc3)nc(Nc4ccc(cc4)c5cc(on5)c6ccc(Cl)cc6)n2)cc1"	0	""	""	1	1	"60147824"	NA
"752493"	752493	"Iniparib"	"NC(=O)c1ccc(I)c(c1)[N+](=O)[O-]"	0	"PARP|PARP1|PARP2"	"Clinical trial"	2	1	"-1"	"160003667"
"752503"	752503	"2,7-bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[l..."	"COc1cc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5cc(OC)c(OC)c(OC)c5)C(=O)c6ccc(C2=O)c3c46)cc(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	1	"60147825"	NA
"752504"	752504	"2,7-bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[..."	"COc1cc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5cc(OC)c(OC)c(OC)c5)C(=O)c6ccc(C2=O)c3c46)cc(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	"60147827"	NA
"752505"	752505	"2,7-bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][..."	"COc1ccccc1CNCCCCCCCCCCCCN2C(=O)c3ccc4C(=O)N(CCCCCCCCCCCCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	1	1	"60147829"	NA
"752506"	752506	"5-nitro-n-((pyridin-3-yl)methyl)furan-2-carboxamide"	"[O-][N+](=O)c1oc(cc1)C(=O)NCc2cccnc2"	0	""	""	2	2	"693996"	NA
"752631"	752631	"1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-naphthol"	"Oc1ccc2ccccc2c1C3NN=C(S3)c4ccccc4"	0	"HDAC"	""	2	1	"3136570"	NA
"752641"	752641	"2-chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chlo..."	"COCCOC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	"25113707"	NA
"752642"	752642	"2,3-bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-bis-(..."	"O=C1C(=C(OCCOc2ccccc2)C(=O)c3ccccc13)OCCOc4ccccc4"	0	""	""	1	1	"60147839"	NA
"752702"	752702	"STL553882"	"COc1cc(\C=C\2/C(=O)Nc3ccccc23)cc(OC)c1O"	0	""	""	1	1	"2437106"	NA
"752703"	752703	"(3Z)-1-(2,6-dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(c3ccccc23)c4c(Cl)cccc4Cl)cc(OC)c1O"	0	""	""	2	2	"60147866"	NA
"752707"	752707	"9-[(E)-2,3-dibromo-4-chlorobut-2-enyl]-6-methoxypurine"	"COc1ncnc2c1ncn2C\C(=C(/Br)\CCl)\Br"	0	""	""	1	1	"60147870"	NA
"752761"	752761	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide"	"O=C(CSc1ncc(c2ccccc2)n1c3ccccc3)Nc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	1	1	"60147874"	NA
"752779"	752779	"llw15"	"CC1CCCCN1CCCn2c(nc3cc(ccc23)C(CC(=O)N)NC(=O)Nc4ccccc4C)c5cccc(Oc6ccc(cc6)C(C)(C)C)c5"	0	""	""	2	2	"45256728"	NA
"752782"	752782	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	"PK:YK,PDGFR,FGFR,KIT,VEGFR"	"FDA approved"	1	1	"10113978"	"444731526"
"752811"	752811	"3,14,19-Tripropionylandrographolide"	"CCC(=O)OCC1(C)C(CCC2(C)C(C\C=C\3/C(COC3=O)OC(=O)CC)C(=C)CCC12)OC(=O)CC"	0	""	""	1	1	"60147888"	NA
"752837"	752837	"4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite"	"COS(=O)=O.CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	""	""	2	1	"60147889"	NA
"752840"	752840	"Veliparib"	"C[C@@]1(CCCN1)c2nc3c(cccc3[nH]2)C(=O)N"	0	"PARP|PARP1|PARP2"	"Clinical trial"	3	1	"-1"	"912444009"
"752878"	752878	"3-(3-chloro-5-methoxyphenyl)-n-(2-morpholinoethyl)-4-(py..."	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)C(=O)NCCN4CCOCC4"	0	""	""	1	1	"53483547"	NA
"752879"	752879	"3-(3-chloro-5-methoxyphenyl)-n-(2-(4-methylpiperazin-1-y..."	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)C(=O)NCCN4CCN(C)CC4"	0	""	""	1	1	"51358119"	NA
"752885"	752885	"3-(3-chloro-4-methoxyphenyl)-n-(2-(dimethylamino)ethyl)-..."	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)C(=O)NCCN(C)C"	0	""	""	1	1	"60147896"	NA
"752892"	752892	"n-[4-(4-benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]..."	"FC(F)(F)c1cc(ccc1N2CCOCC2)C(=O)Nc3ccc(cc3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	""	""	2	2	"53361478"	NA
"752893"	752893	"n-[3-(4-benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]..."	"FC(F)(F)c1cc(ccc1N2CCOCC2)C(=O)Nc3cccc(c3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	""	""	2	2	"46890251"	NA
"752894"	752894	"1-(4-(4-(benzamido)-1h-pyrrolo[3,2-c]pyridin-1-yl)phenyl..."	"CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)n4ccc5c(NC(=O)c6ccccc6)nccc45)cc2C(F)(F)F)CC1"	0	""	""	2	2	"53361439"	NA
"753018"	753018	"2-[(E)-[[1-(4-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol"	"Cc1nn(c2ccc(Cl)cc2)c3ncnc(N\N=C\c4ccccc4O)c13"	0	""	""	2	2	"136040127"	NA
"753139"	753139	"benzimidazol -thiosemicarbazone derivative"	"C\C(=N/NC(=S)N)\c1nc2ccc(Cl)cc2[nH]1"	0	""	""	1	1	"136040128"	NA
"753140"	753140	"Benzimidazole thiosemicarbazone derivative"	"C\C(=N\NC(=S)Nc1ccccc1)\c2nc3ccc(Cl)cc3[nH]2"	0	""	""	2	2	"136040129"	NA
"753151"	753151	"4-(4-chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydrop..."	"Clc1ccc(cc1)C2NC(=S)NC3=C2C(=O)N(c4ccccc4)c5ccccc35"	0	""	""	1	1	"60147922"	NA
"753164"	753164	"7-O,8-O-Isopropylidene Iriomoteolide 3a"	"C\C=C\C\C=C\[C@H](C)C[C@H](O)[C@@H]1C[C@@H]2O[C@H]2\C=C\[C@@H]3OC(C)(C)O[C@H]3\C=C\C[C@H](C)CC(=O)O1"	0	""	""	1	1	"24808220"	NA
"753184"	753184	"n-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1h-p..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)cc4"	0	""	""	1	1	"56935458"	NA
"753185"	753185	"3,4-dichloro-n-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	""	""	1	1	"56649611"	NA
"753186"	753186	"3,4-dichloro-n-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	""	""	1	1	"56649574"	NA
"753187"	753187	"4-chloro-n-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	""	""	2	2	"56649575"	NA
"753188"	753188	"4-chloro-n-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	""	""	2	2	"56649573"	NA
"753189"	753189	"3,5-dichloro-n-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	""	""	1	1	"56935209"	NA
"753190"	753190	"3,5-dichloro-n-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	""	""	2	2	"56935331"	NA
"753193"	753193	"n-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydrox..."	"CC(=O)N1CCN(CCNC(=O)n2cc(c3ccncc3)c(n2)c4cc(O)cc(Cl)c4)CC1"	0	""	""	1	1	"53483672"	NA
"753203"	753203	"n-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)py..."	"COc1ccc(cc1)C(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	""	""	1	1	"60147936"	NA
"753211"	753211	"11-cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]t..."	"Clc1cc2nnc3c4ncccc4c(C#N)n3c2cc1Cl"	0	""	""	1	1	"60147944"	NA
"753217"	753217	"3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one"	"COc1ccc2c3C(=O)Nc4cc(O)ccc4n3cc2c1"	0	""	""	2	2	"60147950"	NA
"753218"	753218	"3-hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]..."	"COc1ccc2c3C(=N)Nc4cc(O)ccc4n3cc2c1"	0	""	""	2	2	"60147951"	NA
"753219"	753219	"3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	"COc1ccc2cn3c4ccc(O)cc4NC(=O)c3c2c1"	0	""	""	2	2	"60147952"	NA
"753220"	753220	"10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	"Oc1ccc2c(NC(=O)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	"60147953"	NA
"753221"	753221	"3-hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]q..."	"Oc1ccc2c(NC(=N)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	"60147954"	NA
"753222"	753222	"3-hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1..."	"Cc1cc2cn3c(C(=N)Nc4cc(O)ccc34)c2cc1C"	0	""	""	2	2	"60147955"	NA
"753223"	753223	"3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one"	"Cc1cc2cn3c(C(=O)Nc4cc(O)ccc34)c2cc1C"	0	""	""	2	2	"60147956"	NA
"753224"	753224	"3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5h)..."	"COc1cc2cn3c(C(=O)Nc4cc(O)ccc34)c2cc1OC"	0	""	""	2	2	"60147957"	NA
"753366"	753366	"3-[2-(5-chloro-1-methyl-1h-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5cc(Cl)ccc15"	0	""	""	1	1	"60147969"	NA
"753369"	753369	"3-[3-(5-methoxy-1h-indol-3-yl)-2h-1,4-thiazin-5-yl]-1h-p..."	"COc1ccc2[nH]cc(c3nc(cs3)c4c[nH]c5ncccc45)c2c1"	0	""	""	1	1	"136040141"	NA
"753376"	753376	"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole"	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5ccccc15"	0	""	""	1	1	"60147979"	NA
"753377"	753377	"3-[2-(1-methyl-1h-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl..."	"Cn1cc(c2nc(cs2)c3cn(C)c4ncccc34)c5ccccc15"	0	""	""	1	1	"60147980"	NA
"753378"	753378	"3-[2-(1h-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1h-pyrro..."	"Cn1cc(c2csc(n2)c3c[nH]c4ccccc34)c5cccnc15"	0	""	""	2	2	"136040144"	NA
"753389"	753389	"3-[2-(5-methyl-1h-indol-3-yl)-1,3-thiazol-4-yl]-1h-pyrro..."	"Cc1ccc2[nH]cc(c3nc(cs3)c4c[nH]c5ncccc45)c2c1"	0	""	""	1	1	"136040147"	NA
"753392"	753392	"3-[2-(5-fluoro-1-methyl-1h-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5cc(F)ccc15"	0	""	""	2	2	"60147995"	NA
"753393"	753393	"3-[2-(5-fluoro-1-methyl-1h-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3cn(C)c4ncccc34)c5cc(F)ccc15"	0	""	""	1	1	"60147996"	NA
"753394"	753394	"3-[2-(5-fluoro-1h-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl..."	"Cn1cc(c2csc(n2)c3c[nH]c4ccc(F)cc34)c5cccnc15"	0	""	""	2	2	"136040150"	NA
"753427"	753427	"2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-me..."	"COc1ccc(cc1O)\C(=C\2/O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	"54576090"	NA
"753435"	753435	"5-benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole"	"COc1ccc(OC)c(\C=C\c2nc(SCc3ccccc3)n(n2)c4ccc(Cl)cc4)c1"	0	""	""	1	1	"60148003"	NA
"753456"	753456	"2-4-[5-(3,5-dimethoxyphenyl)-1h-1-imidazolyl]phenyl-5,6,..."	"COc1cc(OC)cc(c1)c2cncn2c3ccc(cc3)c4nc5cc(OC)c(OC)c(OC)c5s4"	0	""	""	1	1	"60148006"	NA
"753458"	753458	"2-4-[5-(3,5-dimethoxyphenyl)-1h-1-imidazolyl]phenyl-5,7-..."	"COc1cc(OC)cc(c1)c2cncn2c3ccc(cc3)c4nc5cc(OC)cc(OC)c5s4"	0	""	""	1	1	"60148008"	NA
"753491"	753491	"3-chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy..."	"CN1CCN(CC1)C(=O)COc2ccc(\C=C\3/CC4C5CC=C6CC(Cl)CCC6(C)C5CCC4(C)C3=O)cc2"	0	""	""	1	1	"60148020"	NA
"753573"	753573	"14-methoxy-epothilone D"	"CO[C@H]1\C=C(\C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1\C(=C\c2csc(C)n2)\C"	0	""	""	2	1	"44225568"	NA
"753574"	753574	"n1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(z)-2-(3,4,5-..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccccc4s3"	0	""	""	2	2	"60143342"	NA
"753575"	753575	"n1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(e)-3-oxo-3-(..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccccc4s3"	0	""	""	1	1	"60148068"	NA
"753576"	753576	"n1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(z)-2..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(F)cc4s3"	0	""	""	1	1	"60148069"	NA
"753577"	753577	"n1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(e)-3..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(F)cc4s3"	0	""	""	1	1	"60148070"	NA
"753578"	753578	"n1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(z)-..."	"COc1ccc2nc(NC(=O)COc3cc(\C=C/c4cc(OC)c(OC)c(OC)c4)ccc3OC)sc2c1"	0	""	""	1	1	"60148071"	NA
"753579"	753579	"n1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(e)-..."	"COc1ccc2nc(NC(=O)COc3cc(\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4)ccc3OC)sc2c1"	0	""	""	1	1	"60148072"	NA
"753581"	753581	"n1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-meth..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3"	0	""	""	1	1	"60148074"	NA
"753582"	753582	"n1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-meth..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3"	0	""	""	1	1	"60148075"	NA
"753584"	753584	"n1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-metho..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F"	0	""	""	1	1	"60148077"	NA
"753585"	753585	"n1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-metho..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F"	0	""	""	1	1	"60148078"	NA
"753586"	753586	"n1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-ac..."	"COc1ccc(cc1OCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)C4CC(=NN4C(=O)C)c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	"60148079"	NA
"753598"	753598	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate"	"FC(F)(F)c1cc(Nc2sccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	1	1	"60148085"	NA
"753600"	753600	"6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(nc(N3CCC(O)CC3)c2C#N)c4ccc(cc4)N(C)C"	0	""	""	2	2	"60148087"	NA
"753601"	753601	"4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"CCN(CC)c1ccc(cc1)c2cc(nc(N3CCC(O)CC3)c2C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	"60148088"	NA
"753603"	753603	"n-(6-methoxybenzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)-4-..."	"COc1ccc(cc1)N2N=C(C(=O)NCC(=O)Nc3nc4cc(OC)ccc4s3)c5ccccc5C2=O"	0	""	""	2	2	"60148090"	NA
"753616"	753616	"(e)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyp..."	"COc1ccccc1\C=C\C(=O)c2c(O)cc3occc3c2OC"	0	""	""	1	1	"12211442"	NA
"753661"	753661	"Methyl ester prodigiosene"	"COC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"136040158"	NA
"753662"	753662	"propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)OC(C)C)c3ccc[nH]3"	0	""	""	2	2	"136040160"	NA
"753663"	753663	"butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"CCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"136040162"	NA
"753664"	753664	"octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"CCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	"136040164"	NA
"753665"	753665	"benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)OCc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	"136040166"	NA
"753666"	753666	"phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)Oc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	"136040168"	NA
"753667"	753667	"meso-(1r,2s,4z,6e,8s,9r,11z,13e,15e,17e)-16,18-bis[(fura..."	"C(NC1=N[C@@H]2N=C3N=CN[C@]13[C@H]4N=C(NCc5occc5)[C@@]26NC=NC6=N4)c7occc7"	0	""	""	1	1	"60148126"	NA
"753686"	753686	"Olaparib"	"Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5"	0	"PARP|PARP1"	"FDA approved"	2	2	"-1"	"763113220"
"753725"	753725	"6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol"	"Oc1c(sc2nnc(c3ccccc3)c(c4ccccc4)c12)c5oc(nn5)c6ccccc6Cl"	0	""	""	1	1	"136040172"	NA
"753734"	753734	"7alpha-acetoxyroylenane"	"CC(C)C1=C(O)C(=O)C2=C(C(CC3C(C)(C)CCC[C@]23C)OC(=O)C)C1=O"	0	""	""	2	2	"362048"	"6812880"
"753769"	753769	"2-[(1-anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	"Clc1ccc(cc1)c2csc(NC(=O)CSc3nc4CSc5ccccc5c4n3Nc6ccccc6)n2"	0	""	""	1	1	"60148157"	NA
"753772"	753772	"2-(1-anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide"	"COc1ccc(cc1)c2csc(NC(=O)CSc3nc(C)c(c4ccccc4)n3Nc5ccccc5)n2"	0	""	""	1	1	"60148160"	NA
"753790"	753790	"6-imino-1,2,3,4,8,9,10,11-octahydropyrido[1,2-a]pyrido[1..."	"N=C1c2nc3CCCCn3c2C(=O)c4nc5CCCCn5c14"	0	""	""	2	2	"46861729"	NA
"753802"	753802	"3-amino-n-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Cl)c4"	0	""	""	2	2	"1420685"	NA
"753907"	753907	"STK701514"	"O=C1NC(=S)S/C/1=C\c2cn(nc2c3ccccc3)c4ccccc4"	0	""	""	1	1	"1526878"	NA
"753938"	753938	"2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylami..."	"CN(C)CCCNc1cc2C(=O)N(CCCN(C)C)C(=O)c3c(NCCCN(C)C)cc4C(=O)N(CCCN(C)C)C(=O)c1c4c23"	0	""	""	1	1	"135875630"	NA
"753939"	753939	"2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-m..."	"CN1CCN(CCCCCNc2cc3C(=O)N(CCCCCN4CCN(C)CC4)C(=O)c5c(NCCCCCN6CCN(C)CC6)cc7C(=O)N(CCCCCN8CCN(C)CC8)C(=O)c2c7c35)CC1"	0	""	""	1	1	"136040182"	NA
"753940"	753940	"14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione"	"O=C1N(CCCN2CCCC2)C(=O)c3c(NCCCN4CCCC4)cc5C(=O)N(CCCN6CCCC6)C(=O)c7c(NCCCN8CCCC8)cc1c3c57"	0	""	""	1	1	"135875632"	NA
"753941"	753941	"3-(dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide"	"CN(C)CCC(=O)Nc1ccc(cc1)n2cc(nn2)c3cccc(NC(=S)Nc4cccc(c4)c5cn(nn5)c6ccc(NC(=O)CCN(C)C)cc6)c3"	0	""	""	1	1	"60148205"	NA
"753975"	753975	"Prepyridomacrolidine A"	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(OC2CC(=O)CCC(C)OC(=O)CC2O)C1=O)c3ccc(O)cc3"	0	""	""	2	2	"60148209"	NA
"753978"	753978	"Tenellin camphanic acid ester"	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(O)C1=O)c2ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)cc2"	0	""	""	1	1	"60148212"	NA
"754032"	754032	"(e)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphe..."	"COc1ccc2cc(ccc2c1)C#Cc3ccc(N4C(=Nc5ccccc5C4=O)\C=C\c6cc(OC)c(OC)c(OC)c6)c(C)c3"	0	""	""	1	1	"60148232"	NA
"754073"	754073	"7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4h-isoxazolo[5,..."	"COc1ccccc1Cn2cc3c(CCc4cnoc34)c2c5ccccc5"	0	""	""	1	1	"60148267"	NA
"754076"	754076	"7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4h-isoxazol..."	"COc1ccc(OC)c(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)c1"	0	""	""	1	1	"60148270"	NA
"754077"	754077	"7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4h-isoxazol..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1OC"	0	""	""	1	1	"60148271"	NA
"754081"	754081	"7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4h..."	"COc1ccc(Cn2cc3c(CC(C)(C)c4cnoc34)c2c5ccccc5)cc1"	0	""	""	1	1	"60148275"	NA
"754083"	754083	"7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4h-isox..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1N"	0	""	""	2	2	"60148277"	NA
"754084"	754084	"4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3ah-isoxazolo..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccc(O)cc5)cc1"	0	""	""	2	2	"60148278"	NA
"754085"	754085	"4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3ah-i..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccc(OC)cc5)cc1"	0	""	""	2	1	"60148279"	NA
"754087"	754087	"7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihyd..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	"60148281"	NA
"754088"	754088	"7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1cc(cc(OC)c1OC)c2c3CCc4cnoc4c3cn2Cc5ccc(OC)c(c5)[N+](=O)[O-]"	0	""	""	2	2	"60148282"	NA
"754089"	754089	"7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1N"	0	""	""	2	2	"60148283"	NA
"754090"	754090	"7-(3-methoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-e]isoin..."	"COc1cccc(Cn2cc3CCc4cnoc4c3c2)c1"	0	""	""	2	2	"60148284"	NA
"754091"	754091	"7-(2-methoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-e]isoin..."	"COc1ccccc1Cn2cc3CCc4cnoc4c3c2"	0	""	""	2	2	"60148285"	NA
"754092"	754092	"7-(2,5-dimethoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-e]i..."	"COc1ccc(OC)c(Cn2cc3CCc4cnoc4c3c2)c1"	0	""	""	2	2	"60148286"	NA
"754093"	754093	"7-(3,4-dimethoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-e]i..."	"COc1ccc(Cn2cc3CCc4cnoc4c3c2)cc1OC"	0	""	""	2	1	"60148287"	NA
"754094"	754094	"7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4h-isoxazolo[5,4-..."	"COc1cc(Cn2cc3CCc4cnoc4c3c2)cc(OC)c1OC"	0	""	""	2	2	"60148288"	NA
"754102"	754102	"8-(3,5-dimethoxybenzyl)-5,8-dihydro-4h-isoxazolo[4,5-g]i..."	"COc1cc(Cn2ccc3CCc4cnoc4c23)cc(OC)c1"	0	""	""	1	1	"60148296"	NA
"754105"	754105	"ethyl 8-benzyl-5,8-dihydro-4h-isoxazolo[4,5-g]indole-7-c..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4ccccc4"	0	""	""	1	1	"60148299"	NA
"754109"	754109	"ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4h-isoxazolo[4,5-g..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4cccc(OC)c4"	0	""	""	1	1	"60148303"	NA
"754110"	754110	"ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4h-isoxaz..."	"CCOC(=O)c1c(Cl)c2CCc3cnoc3c2n1Cc4cccc(OC)c4"	0	""	""	1	1	"60148304"	NA
"754111"	754111	"ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4h-isoxazolo[4..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	""	""	2	2	"60148305"	NA
"754116"	754116	"7-phenyl-8-(3,4,5-trimethoxybenzyl)- 5,8-dihydro-4h-isox..."	"COc1cc(Cn2c(cc3CCc4cnoc4c23)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	"60148310"	NA
"754117"	754117	"7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4h-isoxazo..."	"COc1cc(Cn2c(cc3CCc4cnoc4c23)c5ccccc5)cc(OC)c1"	0	""	""	2	2	"60148311"	NA
"754118"	754118	"6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4..."	"COc1cc(Cn2c(c(Cl)c3CCc4cnoc4c23)c5ccccc5)cc(OC)c1"	0	""	""	1	1	"60148312"	NA
"754143"	754143	"Depsipeptide"	"C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C"	0	"HDAC"	"FDA approved"	2	2	"5352062"	"128517077"
"754153"	754153	"2,7-bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phena..."	"O=C1N(CCCNCC#C)C(=O)c2ccc3C(=O)N(CCCNCC#C)C(=O)c4ccc1c2c34"	0	""	""	2	1	"60148335"	NA
"754154"	754154	"2,7-bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroli..."	"C=CCNCCN1C(=O)c2ccc3C(=O)N(CCNCC=C)C(=O)c4ccc(C1=O)c2c34"	0	""	""	2	1	"60148337"	NA
"754172"	754172	"7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one"	"CN1CCN(CCCN2C(=O)c3sc4ncccc4c3n5nnc(c6ccccc6)c25)CC1"	0	""	""	1	1	"60148350"	NA
"754173"	754173	"16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one"	"CN1CCN(CCCN2c3c(sc4ncccc34)C(=O)n5nnc(c6ccccc6)c25)CC1"	0	""	""	2	2	"60148351"	NA
"754175"	754175	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide"	"O=C(CCCN1c2c(sc3ncccc23)C(=O)n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	1	1	"60148353"	NA
"754197"	754197	"3-benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-..."	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3ccc4OCOc4c3"	0	""	""	2	2	"54589644"	NA
"754198"	754198	"1-(3-(benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-tri..."	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc4OCOc4c3"	0	""	""	2	2	"16462904"	NA
"754230"	754230	"Pralatrexate"	"Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1"	0	"Df|CTNNB1|DHFR"	"FDA approved"	2	2	"148121"	"146464951"
"754237"	754237	"6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11h-indeno[1,2-..."	"CCN(CC)CCOc1nc2ccc(OC)cc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	2	2	"54673453"	NA
"754238"	754238	"6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11h-indeno[..."	"CCN(CC)CCOc1nc2cc(OC)c(OC)cc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	1	1	"54673460"	NA
"754239"	754239	"5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5h-indeno[1,..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4cc(OC)c(OC)cc34"	0	""	""	1	1	"54673459"	NA
"754240"	754240	"2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11h-indeno[1,..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN4CCCCC4)nc5ccc(OC)cc35"	0	""	""	2	2	"54673454"	NA
"754241"	754241	"6-(2-(dimethylamino)ethoxy)-9-methoxy-11h-indeno[1,2-c]q..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4ccccc34"	0	""	""	1	1	"54672976"	NA
"754242"	754242	"6-(2-(dimethylamino)ethoxy)-9-methoxy-11h-indeno[1,2-c]q..."	"CCN(CC)CCOc1nc2ccccc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	2	2	"54672977"	NA
"754244"	754244	"5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5h-indeno[1..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4N(CCCN(C)C)C3=O"	0	""	""	1	1	"54673151"	NA
"754245"	754245	"5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5h-indeno[1,2-c..."	"COc1ccc2N(CCN(C)C)C(=O)C3=C(C(=O)c4ccc(OC)cc34)c2c1"	0	""	""	2	2	"54673147"	NA
"754277"	754277	"tnf-related apoptosis-inducing ligand"	NA	0	NA	NA	2	2	"144073636"	NA
"754310"	754310	"9-Deoxy-sibiromycin"	"CNC1C(C)OC(Oc2cc3C(=O)N4C=C(C[C@H]4C=Nc3cc2C)\C=C\C)C(O)C1(C)O"	0	""	""	2	1	"60148374"	NA
"754328"	754328	""	"CCN(CCCNC(=O)CC1=CC(=O)Oc2cc(ccc12)N(C)C)CCNc3ccnc4cc(Cl)ccc34"	0	NA	NA	1	1	"440800357"	NA
"754329"	754329	""	"C[C@@H]1CCC2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCNC(=O)CC3=CC(=O)Oc4cc(ccc34)N(C)C)O[C@@H]5O[C@]6(C)CC[C@@H]1C25OO6"	0	NA	NA	2	2	"440808952"	NA
"754344"	754344	"Rigosertib"	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1"	0	"RAS|Tu-stab|PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	"592542604"
"754345"	754345	"JNJ-28312141"	"CN(C)CC(=O)N1CCC(CC1)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(c2)C4=CCCCC4"	0	"PK:YK,CSF1R"	"Clinical trial"	2	2	"-1"	"1149939558"
"754346"	754346	"AMG-458"	"COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(C)(C)O)N(C4=O)c5ccccc5)nc3)ccnc2c1"	0	"PK:YK,MET"	"Clinical trial"	2	2	"-1"	"913376837"
"754348"	754348	"PF-03084014 diastereomer 1"	"CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	2	1	"-1"	"1290543633"
"754349"	754349	"Amuvatinib"	"S=C(NCc1ccc2OCOc2c1)N3CCN(CC3)c4ncnc5c4oc6ccccc56"	0	"RAD51|PK:YK,PDGFR,KIT,FLT3,Multikinase"	"Clinical trial"	2	2	"-1"	"850879093"
"754350"	754350	"CB-64D"	"CN1CC[C@]2(C[C@@H]1\C(=C/c3ccccc3)\C(=O)C2)c4cccc(O)c4"	0	"Sig2Rec"	"Clinical trial"	2	1	"-1"	"157752200"
"754351"	754351	"XL-147"	"Cc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc5nsnc5c4"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"956958535"
"754352"	754352	"Adavosertib"	"CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2"	0	"PK:STK,YK,WEE1"	"Clinical trial"	2	2	"-1"	"955365807"
"754353"	754353	"Buparlisib"	"Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"944396070"
"754354"	754354	"GSK-461364"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	"929095181"
"754356"	754356	"PF-562271"	"CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C"	0	"PK:YK,FAK"	"Clinical trial"	2	2	"-1"	"717907750"
"754357"	754357	"RAF-265"	"Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5ncc([nH]5)C(F)(F)F)ccc13"	0	"GTPase|PK:BRAF"	"Clinical trial"	2	2	"-1"	"927880908"
"754359"	754359	"AEG-40730"	"CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)C(C)NC)C(=O)N1CCC[C@@H]1CN(CCc2ccccc2)C(=O)C(F)(F)F)C(=O)N3CCC[C@H]3CN(CCc4ccccc4)C(=O)C(F)(F)F"	0	"Apo|IAP"	"Clinical trial"	2	2	"-1"	"934963583"
"754360"	754360	"MI-219"	"CC(C)(C)C[C@H]1NC([C@H](c2cccc(Cl)c2)[C@@]13C(=O)Nc4cc(Cl)c(F)cc34)C(=O)NCC[C@H](O)CO"	0	"Apo|MDM2"	"Clinical trial"	2	2	"-1"	"1201143874"
"754361"	754361	"Astex FGF inhibitor"	"Fc1ccc(cc1)c2ccn3c(cnc3c2)c4cccc(NC(=O)NCC(F)(F)F)c4"	0	"PK:YK,FGFR"	"Clinical trial"	2	2	"-1"	"1036991215"
"754362"	754362	"SB-590885"	"CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4"	0	"GTPase|PK:YK,BRAF"	"Clinical trial"	4	4	"-1"	"405554554"
"754365"	754365	"XR-11576"	"COc1cccc2c1ccc3nc4cccc(C(=O)N[C@H](C)CN(C)C)c4nc23"	0	"TOP2|TOP1"	"Clinical trial"	2	2	"-1"	"346689778"
"754366"	754366	"XR-5944"	"Cc1cccc2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12"	0	"TOP2|TOP1"	"Clinical trial"	2	2	"-1"	"343247325"
"754385"	754385	"1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane"	"Nc1ccc(cc1)C(=C2CCC34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C2%10=C%11%12)c%13ccc(N)cc%13"	0	NA	NA	2	2	"441653761"	NA
"754483"	754483	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(c5ccc(Br)cc5)n24)C(=O)N"	0	NA	NA	1	1	"440800534"	NA
"754516"	754516	""	"Cc1cccc(Cn2cc(CO)c3cnccc23)c1"	0	NA	NA	1	1	"440800371"	NA
"754567"	754567	"3-amino-n-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4F"	0	NA	NA	2	2	"440797966"	NA
"754571"	754571	"3-amino-n-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]q..."	"Cc1cc(C)c(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c(C)c1"	0	NA	NA	2	2	"440800445"	NA
"754582"	754582	"3-[(2e,4e)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dih..."	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(O)C1=O)c2ccc(O)cc2"	0	NA	NA	2	2	"440800456"	"53823157"
"754583"	754583	"2,3-dimethyl-7-azaisoindole[2,1-a]quinoxalin-6(5h)-one"	"Cc1cc2NC(=O)c3c4ncccc4cn3c2cc1C"	0	NA	NA	1	1	"440809101"	NA
"754587"	754587	"1,4-dimethoxy-7-azaisoindole[2,1-a]quinoxalin-6(5h)-one"	"COc1ccc(OC)c2c1NC(=O)c3c4ncccc4cn23"	0	NA	NA	1	1	"440794753"	NA
"754595"	754595	"3-methoxy 4-azaisoindole[2,1-a]quinoxalin-6(5h)-one"	"COc1ccc2c(NC(=O)c3c4cccnc4cn23)c1"	0	NA	NA	2	2	"440811572"	NA
"754596"	754596	"6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline"	"COc1ccc2c(NC(=N)c3c4cccnc4cn23)c1"	0	NA	NA	2	2	"440814283"	NA
"754664"	754664	"3-amino-n-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah..."	"Cc1ccc(Cl)cc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	"440814220"	NA
"754666"	754666	"3-amino-5-oxo-n-o-tolyl-5,6,7,8-tetrahydrothieno[2,3-b]q..."	"Cc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	"440814223"	NA
"754670"	754670	"3-amino-5-oxo-n-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]qu..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	"440806158"	NA
"754735"	754735	""	"Nc1n[nH]c2NC(=N)NC(c3ccccc3Cl)c12"	0	NA	NA	1	1	"440800408"	NA
"754771"	754771	"Itraconazole"	"CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4"	0	"AM|NonCan:Ant"	"FDA approved"	1	1	"-1"	"84625616"
"754778"	754778	""	"Oc1ccccc1NC(=O)c2ccc(CNC(=O)c3ccsc3Nc4ccnc(c4)C(F)(F)F)cc2"	0	NA	NA	1	1	"440809058"	NA
"754809"	754809	"5-benzyloxymethyl-7-furan-2-yl-4-me thoxy-5h-pyrrolo[3,2..."	"COc1ncnc2c(cn(COCc3ccccc3)c12)c4occc4"	0	NA	NA	1	1	"440808882"	NA
"754811"	754811	"5-benzyloxymethyl-4-methoxy-7-pheny l-5h-pyrrolo[3,2-d]p..."	"COc1ncnc2c(cn(COCc3ccccc3)c12)c4ccccc4"	0	NA	NA	1	1	"440794567"	NA
"754824"	754824	"4-[4-(3-methoxy-phenyl)-piperazin-1 -yl]-5h-pyrrolo[3,2-..."	"COc1cccc(c1)N2CCN(CC2)c3ncnc4cc[nH]c34"	0	NA	NA	1	1	"440814093"	NA
"755040"	755040	"7-bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-ep..."	"Clc1ccccc1[C@@H]2C[C@@H]3Cc4cc(Br)c5ccccc5c4N2O3"	0	NA	NA	1	1	"440811548"	NA
"755092"	755092	"2,5-dimethyl-n-(6-(morpholinomethyl)quinolin-2-yl)-1-phe..."	"Cc1cc(C(=O)Nc2ccc3cc(CN4CCOCC4)ccc3n2)c(C)n1c5ccccc5"	0	NA	NA	2	2	"440794895"	NA
"755117"	755117	"et ester prodigisoene"	"CCOC1=CC(=N/C/1=C\c2[nH]c(C)c(C(=O)OC)c2C)c3ccc[nH]3"	0	NA	NA	2	2	"440794805"	NA
"755118"	755118	""	"COC1=CC(=N/C/1=C\c2[nH]c(C)c(C(=O)NC(C)C)c2C)c3ccc[nH]3"	0	NA	NA	1	1	"440809166"	NA
"755119"	755119	""	"COC(=O)CCc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	2	2	"440806298"	NA
"755120"	755120	""	"COC(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	2	2	"440803759"	NA
"755121"	755121	""	"COC(=O)CCc1c(C)c(C)[nH]c1\C=C\2/N=C(C=C2OC)c3ccc[nH]3"	0	NA	NA	2	2	"440800579"	NA
"755122"	755122	""	"COC(=O)CCc1c(CC(=O)OC)c(C)[nH]c1\C=C\2/N=C(C=C2OC)c3ccc[nH]3"	0	NA	NA	1	1	"440803758"	NA
"755123"	755123	"(sp-4-2)-mu4-[n,nÃ¸-bis(3-aminopropyl)butane-1,4-diamine]..."	"C\C(=C/C=N/N=C\1/N\C(=N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)\[SH-][Cu+2][SH-]1)\C=C\C=C(/C)\C=C\C3=C(C)CCCC3(C)C.NCCCNCCCCNCCCN"	0	NA	NA	2	2	"441653738"	NA
"755263"	755263	""	"O=C(Nc1cccnc1)c2cccs2"	0	NA	NA	1	1	"440814157"	NA
"755264"	755264	""	"OCCCN1C=Nc2c(C1=N)c(c3ccccc3)c(c4ccccc4)n2Cc5ccccc5"	0	NA	NA	2	2	"440803572"	NA
"755265"	755265	""	"COC(=O)c1c(NC(=O)c2c(C)onc2c3ccccc3)scc1c4ccccc4"	0	NA	NA	2	2	"440806082"	NA
"755266"	755266	""	"CN1c2ccccc2C(C)(C)C13CC(=NO3)c4ccc(Cl)c(c4)S(=O)(=O)N5CCCC5"	0	NA	NA	1	1	"440814159"	NA
"755267"	755267	""	"CCOC(=O)Cn1c(nc2ccccc12)c3nonc3NC(=O)c4ccccc4F"	0	NA	NA	2	2	"440814158"	NA
"755268"	755268	"(1r,6s,11as,13s,14ar)-6-ethyl-1,13-dihydroxy-1,6,7,8,9,1..."	"CC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	1	"440811534"	NA
"755273"	755273	"2-(1-(4-fluorophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(py..."	"Fc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	"440805902"	NA
"755288"	755288	"(2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrim..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)N5CCN(CC5)C(=O)c6ccccc6NCc7cccs7"	0	NA	NA	1	1	"440800709"	NA
"755289"	755289	"(4-(2-(furan-2-ylmethylamino)benzoyl)piperazin-1-yl)(2-p..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)N5CCN(CC5)C(=O)c6ccccc6NCc7occc7"	0	NA	NA	2	2	"440814537"	NA
"755290"	755290	"(2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrim..."	"COc1cc(CNc2ccccc2C(=O)N3CCN(CC3)C(=O)c4cc(c5cc(OC)c(OC)c(OC)c5)n6nc(cc6n4)c7ccccc7)cc(OC)c1OC"	0	NA	NA	1	1	"440814524"	NA
"755295"	755295	"2-(1-(3-chlorophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(py..."	"Clc1cccc(c1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	"440811769"	NA
"755302"	755302	"2-methoxy-4-(7-methoxy-2-phenylbenzo[d]imidazo[2,1-b][1,..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5ccc(O)c(OC)c5)n23"	0	NA	NA	1	1	"440809291"	NA
"755307"	755307	"7-methoxy-3-(1-naphthyl)-2-phenylbenzo[d]imidazo[2,1-b][..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5cccc6ccccc56)n23"	0	NA	NA	2	2	"440795012"	NA
"755308"	755308	"7-methoxy-2-phenyl-3-(3-thienyl)benzo[d]imidazo[2,1-b][1..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5ccsc5)n23"	0	NA	NA	1	1	"440814542"	NA
"755384"	755384	"Pemetrexed"	"NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c[nH]c2N1"	0	"Df|AM|GARTF|DHFR|TYMS"	"FDA approved"	2	2	"-1"	"357166304"
"755385"	755385	"Pictilisib"	"CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"957054307"
"755386"	755386	"Ispinesib"	"CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4"	0	"TUBB|CC|CDH16|KIF11|Kinesin|PK:YK"	"Clinical trial"	2	2	"-1"	"336113532"
"755387"	755387	"Sepantronium bromide"	"COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13"	0	"Apo|BIRC5"	"Clinical trial"	2	2	"-1"	"781661947"
"755389"	755389	"Bosutinib"	"COc1cc2c(Nc3cc(Cl)c(OC)c(Cl)c3)c(cnc2cc1OCCCN4CCN(C)CC4)C#N"	0	"STAT|BCR-ABL|STAT5A/B|PK:YK,LYN,SRC,HCK"	"FDA approved"	2	2	"-1"	NA
"755400"	755400	"Masitinib"	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1"	0	"PK:YK,PDGFR,FGFR,KIT,FGFR3"	"FDA approved"	2	2	"-1"	"790299795"
"755408"	755408	""	"Clc1cccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34)c1Cl"	0	NA	NA	1	1	"440797808"	NA
"755412"	755412	""	"FC(F)(F)c1cc(cc(c1)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34)N6CCOCC6"	0	NA	NA	2	2	"440806013"	NA
"755413"	755413	""	"FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34)c1"	0	NA	NA	1	1	"440811382"	NA
"755417"	755417	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34"	0	NA	NA	2	2	"440805995"	NA
"755420"	755420	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34"	0	NA	NA	2	2	"440794552"	NA
"755422"	755422	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	1	"440814070"	NA
"755423"	755423	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	"440808875"	NA
"755424"	755424	""	"Clc1ccc(cc1Cl)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	"440811360"	NA
"755425"	755425	""	"Clc1ccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34)cc1Cl"	0	NA	NA	2	2	"440800272"	NA
"755426"	755426	""	"Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	NA	NA	2	2	"440808874"	NA
"755427"	755427	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	"440794553"	NA
"755428"	755428	""	"FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34)cc(c1)C(F)(F)F"	0	NA	NA	1	1	"440811383"	NA
"755429"	755429	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	3	2	"440800261"	NA
"755431"	755431	""	"Nc1nccc2c1ccn2c3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3"	0	NA	NA	2	1	"440803468"	NA
"755435"	755435	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNC(=O)c5ccccc5O)n4"	0	NA	NA	2	2	"440803470"	NA
"755437"	755437	""	"CCN1CCN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S1(=O)=O"	0	NA	NA	3	3	"440797813"	NA
"755441"	755441	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)cc4"	0	NA	NA	1	1	"440806005"	NA
"755442"	755442	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	NA	NA	2	2	"440805999"	NA
"755443"	755443	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	NA	NA	2	2	"440808862"	NA
"755444"	755444	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	NA	NA	1	1	"440808860"	NA
"755453"	755453	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCN5CCN(Cc6ccccc6)S5(=O)=O)n4"	0	NA	NA	1	1	"440806008"	NA
"755458"	755458	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	NA	NA	1	1	"440803481"	NA
"755459"	755459	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	NA	NA	1	1	"440794561"	NA
"755461"	755461	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNC(=O)c5ccccc5)n4"	0	NA	NA	1	1	"440808868"	NA
"755464"	755464	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)Nc5cccc(Cl)c5Cl)cc4"	0	NA	NA	1	1	"440811379"	NA
"755465"	755465	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	NA	NA	1	1	"440797809"	NA
"755469"	755469	""	"Nc1nccc2c1ccn2c3ccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)cc3"	0	NA	NA	2	2	"440811368"	NA
"755523"	755523	""	"CCC[CH-][Sn+4]12([CH-]CCC)[nH-]3cccc3c4cc(OC)c(C=C5C(=C(C(=O)OCc6ccccc6)C(=[N+]15)C)C)[nH-]24"	0	NA	NA	2	2	"441653602"	NA
"755605"	755605	"Enzalutamide"	"CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C#N)c(c3)C(F)(F)F"	0	"Ho|AR"	"FDA approved"	2	1	"-1"	"915087331"
"755606"	755606	"Cediranib"	"COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5"	0	"PK:YK,VEGF,VEGFR,KDR"	"FDA approved"	4	4	"-1"	"288383200"
"755642"	755642	"4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino..."	"Oc1ccc(CN(Cc2ccc(cc2)C(F)(F)F)Cc3ccc(O)c4ncccc34)c5cccnc15"	0	NA	NA	2	2	"440809085"	NA
"755761"	755761	"XAV-939"	"Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F"	0	"Wnt|PK:YK,TNKS"	"Clinical trial"	2	1	"-1"	"284028893"
"755762"	755762	"Luminespib"	"CCNC(=O)c1noc(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"747412493"
"755763"	755763	"Pimasertib"	"OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F"	0	"PK:STK,YK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"1236699925"
"755765"	755765	"GW-5074"	"Oc1c(Br)cc(\C=C\2/C(=O)Nc3ccc(I)cc23)cc1Br"	0	"GTPase|PK:RAF,RAF1"	"Clinical trial"	2	1	"-1"	"220904836"
"755766"	755766	"H-89"	"Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1"	0	"Protein kinase A|PK:STK,AKT1"	"Clinical trial"	2	1	"-1"	NA
"755769"	755769	"LY-294002"	"O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	2	1	"-1"	"154447366"
"755770"	755770	"PD-0325901"	"OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F"	0	"PK:STK,MAP2K,MAP2K1"	"Clinical trial"	2	2	"-1"	"391210109"
"755773"	755773	"1,9-Pyrazoleanthrone"	"O=C1c2ccccc2c3n[nH]c4cccc1c34"	0	"PK:STK,MAPK14,MAPK8"	"Clinical trial"	2	1	"-1"	"129566"
"755775"	755775	"Foretinib"	"COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6"	0	"PK:YK,MET,AXL,VEGFR,KDR,RON,Multikinase"	"Clinical trial"	2	2	"-1"	"849217647"
"755806"	755806	"XL-147"	"Cc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc5nsnc5c4"	0	"PK:PIK3"	"Clinical trial"	1	1	"-1"	"956958535"
"755809"	755809	"Vismodegib"	"CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)c3ccccn3)c(Cl)c1"	0	"SMO|PK:YK"	"FDA approved"	1	1	"-1"	"879085559"
"755841"	755841	"Actinomycin D"	"CC(C)C1NC(=O)C(NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O)C(C)OC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)OC(C)C6NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)c5N=C34)C"	0	"Db"	"FDA approved"	2	2	"45006140"	"50760"
"755871"	755871	"Amphotericin B"	"C[C@@H]1OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]2(O)C[C@H](O)C(C(C[C@@H](OC3OC(C)C(O)[C@@H](N)C3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O"	0	""	"FDA approved"	1	1	"23863720"	"1397893"
"755880"	755880	"Mitomycin"	"CO[C@@]12[C@@H]3NC3CN1C4=C([C@@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N"	0	"A2|AlkAg"	"FDA approved"	2	2	"5702003"	"50077"
"755892"	755892	"Hydrastinine HCl"	"CN1CCc2cc3OCOc3cc2C1O"	0	"NonCan:Antihemorrhagic"	"Clinical trial"	2	2	"-1"	"4884688"
"755900"	755900	"azathioprine (usan)"	"Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-]"	0	NA	NA	1	1	"144074911"	"446866"
"755908"	755908	"Benzethonium Chloride"	"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	""	""	1	1	"8478"	"121540"
"755914"	755914	"bisacodyl (usan)"	"CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3"	0	NA	NA	2	2	"144074925"	"603509"
"755915"	755915	"bromocriptine mesylate (usan)"	"CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C"	0	""	""	1	1	"5702014"	"22260511"
"755926"	755926	"PF-03084014 diastereomer 1"	"CCC[C@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	2	2	"-1"	NA
"755980"	755980	"Lenvatinib"	"COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)N"	0	"PK:YK,PDGFR,FGFR,VEGFR,KDR,RET"	"FDA approved"	2	2	"-1"	"417716928"
"755981"	755981	"WP-1034"	"C[C@@H](NC(=O)\C(=C\c1ccc(cc1)[N+](=O)[O-])\C#N)c2ccccc2"	0	"STAT|PK:YK,JAK"	"Clinical trial"	2	1	"-1"	NA
"755983"	755983	"BI-2536"	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O"	0	"PK:STK,PLK1"	"Clinical trial"	3	3	"-1"	"755038029"
"755984"	755984	"Pralatrexate"	"Cc1oc(\C=N\NC(=O)c2ccccc2Oc3ccccc3)cc1"	0	"Df|CTNNB1|DHFR"	"FDA approved"	2	1	"-1"	"113906277"
"755985"	755985	"Nelarabine"	"COc1nc(N)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O"	0	"Ds"	"FDA approved"	2	2	"3011155"	"121032299"
"755986"	755986	"Vismodegib"	"CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)c3ccccn3)c(Cl)c1"	0	"SMO|PK:YK"	"FDA approved"	2	1	"-1"	"879085559"
"756053"	756053	""	"CNC(=O)Nc1ccc(cc1)c2nc(nc3c2cnn3C4CCOCC4)N5CCOCC5"	0	NA	NA	2	2	"440811484"	NA
"756058"	756058	"[9s-(9-.alpha.-10-.beta.-11-.beta.-13-.alpha.)]-n-(2,3,1..."	"CO[C@@H]1[C@@H](C[C@@H]2O[C@]1(C)n3c4ccccc4c5c6C(=O)NC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	NA	NA	1	1	"440814194"	"154589965"
"756078"	756078	"1-[5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-3-yl]-5-ph..."	"COc1ccc(cc1)C2CC(=NN2)n3nnnc3c4ccccc4"	0	NA	NA	1	1	"440803551"	NA
"756083"	756083	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440795432"	NA
"756084"	756084	""	"OCCN1C2=C(C(c3cccc(Br)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440806685"	NA
"756085"	756085	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440803337"	NA
"756086"	756086	""	"OCCN1C2=C(C(c3ccc(Cl)c(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440803338"	NA
"756087"	756087	""	"OCCN1C2=C(C(c3cccc(Br)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440814913"	NA
"756088"	756088	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440803339"	NA
"756089"	756089	""	"OCCN1C2=C(C(c3ccc(Cl)c(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440809447"	NA
"756090"	756090	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	"440795433"	NA
"756091"	756091	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4ccc(OC)c(OC)c4"	0	NA	NA	1	1	"440803340"	NA
"756093"	756093	"AOB6494"	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4ccccc4"	0	""	""	1	1	"91826517"	NA
"756095"	756095	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4"	0	NA	NA	2	2	"440803343"	NA
"756106"	756106	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	1	"440809449"	NA
"756110"	756110	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4"	0	NA	NA	2	2	"440801140"	NA
"756111"	756111	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Cl)c4"	0	NA	NA	2	2	"440814914"	NA
"756130"	756130	"gr105659x"	"Oc1ccc2\C(=C\3/C(=O)Nc4ccccc34)\CCc2c1"	0	NA	NA	2	2	"440806337"	NA
"756132"	756132	"gsk1000163a"	"CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440806332"	NA
"756133"	756133	"gsk1007102b"	"CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440814369"	NA
"756134"	756134	"gsk1023156a"	"NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccccc34"	0	NA	NA	1	1	"440803798"	NA
"756135"	756135	"gsk1030058a"	"COC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34"	0	NA	NA	2	1	"440806350"	NA
"756137"	756137	"gsk1030061a"	"CNC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34"	0	NA	NA	2	2	"440811680"	NA
"756139"	756139	"gsk1173862a"	"CCCN1CCCC(C1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2"	0	NA	NA	2	2	"440809205"	NA
"756140"	756140	"gsk1220512a"	"COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)N)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	"440798158"	NA
"756141"	756141	"gsk1326255a"	"CCCN1CCC(CC1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2"	0	NA	NA	2	2	"440814338"	NA
"756142"	756142	"gsk1392956a"	"COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)NCC(O)CO)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	"440798159"	NA
"756143"	756143	"gsk1511931a"	"COc1cc(ccc1Nc2nc(Nc3cccc4ncccc34)c5cc[nH]c5n2)N6CCN(CC6)C(C)C"	0	NA	NA	2	2	"440800611"	NA
"756144"	756144	"gsk1713088a"	"CCCN1CCC(CC1)Oc2cc(Nc3nc(Nc4cccc(F)c4C(=O)N)c5cc[nH]c5n3)c(OC)cc2Cl"	0	NA	NA	2	1	"440814372"	NA
"756145"	756145	"gsk1751853a"	"COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc4nc(Nc5cccc(F)c5C(=O)N)c6cc[nH]c6n4"	0	NA	NA	2	1	"440803790"	NA
"756146"	756146	"gsk180736a"	"CC1=C(C(NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4[nH]ncc4c3"	0	NA	NA	2	1	"440809211"	NA
"756147"	756147	"gsk1819799a"	"COc1cc(ccc1Nc2nc(Nc3cccc(F)c3C(=O)O)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	"440798151"	NA
"756148"	756148	"gsk182497a"	"CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	"440814344"	NA
"756149"	756149	"gsk192082a"	"CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	"440811671"	NA
"756150"	756150	"gsk200398a"	"O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc6ccccc6)c4)c3s2)N7CCOCC7"	0	NA	NA	2	2	"440803797"	NA
"756151"	756151	"gsk204925a"	"COc1cc2ncn(c3cc(OCCc4ccccc4)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	1	"440794829"	NA
"756152"	756152	"gsk2110236a"	"COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3"	0	NA	NA	2	2	"440800623"	NA
"756153"	756153	"gsk2163632a"	"COc1cc2c(cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3)N(CCC2(C)C)C(=O)CN(C)C"	0	NA	NA	2	2	"440811670"	NA
"756154"	756154	"gsk2186269a"	"COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(N4CCc5ccccc45)c6cc[nH]c6n3"	0	NA	NA	2	2	"440800624"	NA
"756155"	756155	"gsk2213727a"	"COc1cc(C)c(NC(=O)CN(C)C)cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2"	0	NA	NA	2	2	"440806323"	NA
"756156"	756156	"gsk2219385a"	"COc1cc(C)c(cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2)N(C)C(=O)CN(C)C"	0	NA	NA	2	2	"440794848"	NA
"756157"	756157	"gsk2220400a"	"CNC(=O)c1ncccc1Nc2nc(Nc3cc4N(CCCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25"	0	NA	NA	2	2	"440800606"	NA
"756158"	756158	"gsk237700a"	"COc1cc2ncn(c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	"440803805"	NA
"756159"	756159	"gsk238583a"	"O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(Cc5ccccc5)cc4)c3s2)N6CCOCC6"	0	NA	NA	2	2	"440794858"	NA
"756160"	756160	"gsk248233a"	"CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)c5nonc5N"	0	NA	NA	2	2	"440794857"	NA
"756161"	756161	"gsk259178a"	"Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(C#C[C@@H]6C[C@H](CN6)OC(=O)N7CCOCC7)sc45)ccc23)c1"	0	NA	NA	2	2	"440794856"	NA
"756162"	756162	"gsk269962b"	"CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)c6nonc6N"	0	NA	NA	2	2	"440800625"	NA
"756163"	756163	"gsk270822a"	"CC1=C(C(CC(=O)N1)c2ccc3ccccc3c2)C(=O)Nc4ccc5[nH]ncc5c4"	0	NA	NA	2	2	"440809213"	NA
"756164"	756164	"gsk299115a"	"CC1=C(C(CC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccc4[nH]ncc4c3"	0	NA	NA	2	2	"440806347"	NA
"756165"	756165	"gsk300014a"	"CS(=O)(=O)CCNCc1cc(cs1)c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2"	0	NA	NA	2	1	"440800588"	NA
"756166"	756166	"gsk312948a"	"COc1cc2ncn(c3cc(OCc4cccs4)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	1	"440800627"	NA
"756167"	756167	"gsk237701a"	"COc1cc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	"440811650"	NA
"756168"	756168	"gsk238063a"	"CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	"440809210"	NA
"756169"	756169	"gsk317314a"	"COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2c1"	0	NA	NA	2	2	"440809193"	NA
"756170"	756170	"gsk317315a"	"COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(=O)N)c2c1"	0	NA	NA	2	2	"440806329"	NA
"756171"	756171	"gsk317354a"	"CC1=C(C(N=C(N1)c2ccc(nc2)C(F)(F)F)c3ccc(F)cc3)C(=O)Nc4ccc5[nH]ncc5c4"	0	NA	NA	2	1	"440803774"	NA
"756173"	756173	"gsk326090a"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	NA	NA	2	2	"440806314"	NA
"756174"	756174	"gsk466314a"	"CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc4[nH]nc(C)c4c3"	0	NA	NA	2	2	"440814360"	NA
"756175"	756175	"gsk466317a"	"CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3cc(Cl)c4[nH]ncc4c3"	0	NA	NA	2	2	"440811649"	NA
"756176"	756176	"gsk554170a"	"CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440806328"	NA
"756178"	756178	"gsk571989a"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5Cl"	0	NA	NA	2	2	"440809192"	NA
"756179"	756179	"gsk579289a"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC4CCN(C)CC4)cc23)c5ccccc5Cl"	0	NA	NA	2	2	"440809191"	NA
"756182"	756182	"gsk614526a"	"CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440798131"	NA
"756183"	756183	"gsk619487a"	"CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440798139"	NA
"756184"	756184	"gsk620503a"	"NC(=O)c1cc(cc(c1N)c2ccncc2)c3ccc(F)cc3"	0	NA	NA	2	1	"440798120"	NA
"756185"	756185	"gsk625137a"	"NC(=O)c1cc(cc(c1N)c2ccccc2)c3ccncc3"	0	NA	NA	2	1	"440794834"	NA
"756188"	756188	"gsk718429a"	"CCn1cc(c2ccnc3[nH]ccc23)c(n1)c4cccc(NC(=O)Nc5ccc(OCc6ccccc6)cc5)c4"	0	NA	NA	2	1	"440806327"	NA
"756189"	756189	"gsk938890a"	"CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	1	"440811648"	NA
"756190"	756190	"gsk949675a"	"CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)c3nonc3N"	0	NA	NA	2	1	"440806326"	NA
"756193"	756193	"gsk978744a"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC[C@@H](O)CO)cc23)c4ccccc4Cl"	0	NA	NA	2	2	"440814359"	NA
"756194"	756194	"gsk980961a"	"NS(=O)(=O)c1cccc(c1)c2cc3ccncc3cc2OCc4ccccc4"	0	NA	NA	2	1	"440800587"	NA
"756195"	756195	"gsk994854a"	"CCCN1CCC=C(C1)c2ccc(Nc3nc(Nc4ccccc4C(=O)N)c5cc[nH]c5n3)c(C)c2"	0	NA	NA	2	2	"440803783"	NA
"756199"	756199	"gw278681x"	"CS(=O)(=O)Nc1ccc(N\C=C\2/C(=O)Nc3ccccc23)cc1"	0	NA	NA	2	1	"440806313"	NA
"756202"	756202	"gw282449a"	"COc1cc2ncnc(Nc3ccc4c(cnn4Cc5ccccc5)c3)c2cc1OC"	0	NA	NA	2	2	"440794831"	NA
"756204"	756204	"gw282974x"	"CN(C)c1cc2c(Nc3ccc4c(cnn4Cc5ccccc5)c3)ncnc2cn1"	0	NA	NA	2	2	"440811667"	NA
"756205"	756205	"gw284372x"	"C(Oc1ccc(Nc2ncnc3ccc(cc23)c4occc4)cc1)c5ccccc5"	0	NA	NA	2	2	"440798118"	NA
"756208"	756208	"gsk943949a"	"CCn1c(nc2c(nc(OC[C@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	"440800596"	NA
"756209"	756209	"gw296115x"	"COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c6C(=O)NC(=O)c6c3c2c1"	0	NA	NA	2	2	"440798152"	NA
"756210"	756210	"gw297361x"	"NS(=O)(=O)c1ccc(N\C=C\2/C(=O)Nc3ccc4ncsc4c23)cc1"	0	NA	NA	2	2	"440800612"	NA
"756211"	756211	"gw300653x"	"CC(C)c1ccc2\C(=N\Nc3ccc(cc3)S(=O)(=O)N)\C(=O)Nc2c1"	0	NA	NA	2	1	"440814349"	NA
"756215"	756215	"gw301789x"	"O=C1Nc2ccccc2/C/1=C/Nc3ccc(cc3)n4cncn4"	0	NA	NA	2	2	"440806333"	NA
"756216"	756216	"gw301888x"	"CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1"	0	NA	NA	2	1	"440800595"	NA
"756217"	756217	"gw305178x"	"NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc4ncccc4c23)cc1"	0	NA	NA	2	2	"440794843"	NA
"756218"	756218	"gw335962x"	"C\C(=C/1\C(=O)Nc2ccccc12)\Nc3ccc(cc3)S(=O)(=O)N"	0	NA	NA	2	2	"440811668"	NA
"756220"	756220	"gw396574x"	"CC(=Cc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c12)C"	0	NA	NA	2	2	"440794823"	NA
"756223"	756223	"gw406731x"	"COC(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1"	0	NA	NA	2	1	"440803804"	NA
"756225"	756225	"gw410563a"	"COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC"	0	NA	NA	2	2	"440803775"	NA
"756226"	756226	"gw416469x"	"CN(C)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1"	0	NA	NA	2	2	"440800621"	NA
"756227"	756227	"gw416981x"	"CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1"	0	NA	NA	2	1	"440806317"	NA
"756233"	756233	"gw435821x"	"Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)N"	0	NA	NA	2	2	"440809207"	NA
"756234"	756234	"gw439255x"	"Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)OC(C)(C)C"	0	NA	NA	2	1	"440800618"	NA
"756235"	756235	"gw440139a"	"Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4"	0	NA	NA	2	2	"440811651"	NA
"756236"	756236	"gw441756x"	"Cn1cc(\C=C\2/C(=O)Nc3cccnc23)c4ccccc14"	0	NA	NA	2	2	"440814377"	NA
"756238"	756238	"gw442130x"	"COc1ccccc1c2cc(\C=C\3/C(=O)Nc4ncc(Br)cc34)cc(Br)c2O"	0	NA	NA	2	1	"440800591"	NA
"756243"	756243	"gw450241x"	"CCc1cccc(CC)c1\C=C\c2cncc(c2)C(=O)NC"	0	NA	NA	2	2	"440803800"	NA
"756245"	756245	"gw458787a"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	"440814357"	NA
"756247"	756247	"gw461104a"	"CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440806341"	NA
"756248"	756248	"gw513184x"	"COc1cc(\C=N\Nc2ncnc3c2cnn3c4ccccc4)ccc1O"	0	NA	NA	2	2	"440794845"	NA
"756251"	756251	"gw559768x"	"Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)S(=O)(=O)C"	0	NA	NA	2	2	"440814375"	NA
"756253"	756253	"gw566221a"	"CS(=O)(=O)CCNCc1coc(c1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	"440809198"	NA
"756254"	756254	"gw567808a"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2"	0	NA	NA	2	1	"440809181"	NA
"756256"	756256	"gw568377a"	"CS(=O)(=O)CCNCc1ccoc1c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	"440803799"	NA
"756258"	756258	"gw569530a"	"CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2"	0	NA	NA	2	1	"440800615"	NA
"756260"	756260	"gw572401x"	"CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3ccccc3)c1"	0	NA	NA	2	2	"440798154"	NA
"756261"	756261	"gw572738x"	"Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N"	0	NA	NA	2	2	"440794851"	NA
"756263"	756263	"gw574783b"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440800614"	NA
"756265"	756265	"gw575808a"	"Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(=O)N)n2)cc1O"	0	NA	NA	2	2	"440803789"	NA
"756267"	756267	"gw576609a"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(CN6CCS(=O)CC6)cc5)cc2Cl)c1"	0	NA	NA	2	2	"440798145"	NA
"756268"	756268	"gw576924a"	"Fc1cc(Nc2ncnc3ccc(cc23)c4oc(CN5CCS(=O)CC5)cc4)ccc1OCc6ccccc6"	0	NA	NA	2	2	"440798144"	NA
"756269"	756269	"gw577921a"	"COc1ccccc1Nc2oc(cn2)c3ccccc3"	0	NA	NA	2	1	"440814374"	NA
"756271"	756271	"gw580496a"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Br)c4)c3c2"	0	NA	NA	2	2	"440803788"	NA
"756272"	756272	"gw580509x"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(OC)c3)c1"	0	NA	NA	2	2	"440814373"	NA
"756274"	756274	"gw583373a"	"Clc1cc(Nc2ncnc3ccc(cc23)c4oc(CN5CCS(=O)CC5)cc4)ccc1OCc6ccccc6"	0	NA	NA	2	2	"440809197"	NA
"756275"	756275	"gw589961a"	"COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1"	0	NA	NA	2	2	"440800622"	NA
"756276"	756276	"gw607049c"	"COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1"	0	NA	NA	2	2	"440798143"	NA
"756278"	756278	"gw612286x"	"COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC"	0	NA	NA	2	2	"440794841"	NA
"756279"	756279	"gw615311x"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(COCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1"	0	NA	NA	2	2	"440800603"	NA
"756280"	756280	"gw616030x"	"CS(=O)(=O)CCN(CC#N)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440806334"	NA
"756282"	756282	"gw620972x"	"O=C(Nc1sc2CCCCc2c1C#N)c3cccc4ccccc34"	0	NA	NA	2	2	"440809203"	NA
"756283"	756283	"gw621431x"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)C(=O)C)c1"	0	NA	NA	1	1	"440814365"	NA
"756284"	756284	"gw621823a"	"CCCN(CCS(=O)(=O)C)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440798142"	NA
"756285"	756285	"gw621970x"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(F)c3)c1"	0	NA	NA	2	2	"440814364"	NA
"756287"	756287	"gw627512b"	"COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1OC"	0	NA	NA	2	2	"440794847"	NA
"756288"	756288	"gw589933x"	"NS(=O)(=O)c1ccc(N\C=C\2/C(=O)Nc3ccc4ncsc4c23)cc1"	0	NA	NA	2	2	"440794850"	NA
"756290"	756290	"gw631581b"	"COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1"	0	NA	NA	2	2	"440798157"	NA
"756292"	756292	"gw632580x"	"COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1"	0	"PK:CSF1R"	""	2	2	"-1"	NA
"756293"	756293	"gw633459a"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(CNCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1"	0	NA	NA	2	2	"440814380"	NA
"756297"	756297	"gw643971x"	"COc1cc(\C=N\Nc2ncnc3c2cnn3Cc4ccccc4)ccc1O"	0	NA	NA	2	2	"440798137"	NA
"756298"	756298	"gw644007x"	"COc1cc(\C=N\Nc2ncnc3c2cnn3C(C)C)ccc1O"	0	NA	NA	2	2	"440794854"	NA
"756300"	756300	"gw654652c"	"CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(n2)N(C)c3ccc4c(C)n[nH]c4c3)c1"	0	NA	NA	2	1	"440809209"	NA
"756301"	756301	"gw659386a"	"COC(=O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)ccc2[nH]1"	0	NA	NA	2	2	"440803802"	NA
"756302"	756302	"gw659893x"	"Nc1ccc(cc1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	1	"440798136"	NA
"756303"	756303	"gw673715x"	"CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1"	0	NA	NA	2	2	"440798156"	NA
"756304"	756304	"gw678313x"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)c4ccccc4F)c1"	0	NA	NA	2	2	"440809199"	NA
"756306"	756306	"gw680191x"	"CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1"	0	NA	NA	2	2	"440811659"	NA
"756309"	756309	"gw682841x"	"CC(C)c1ccc(cc1)c2cc(ccn2)c3c[nH]nc3c4ccccn4"	0	NA	NA	2	1	"440809189"	NA
"756312"	756312	"gw683134a"	"Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F"	0	NA	NA	2	2	"440803776"	NA
"756314"	756314	"gw684626b"	"Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c5cccs5)cc2Cl)c1"	0	NA	NA	2	2	"440800601"	NA
"756316"	756316	"gw693881a"	"Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)c5ccc[nH]5)cc2Cl)c1"	0	NA	NA	2	2	"440794853"	NA
"756317"	756317	"gw693917a"	"COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1"	0	NA	NA	2	2	"440811658"	NA
"756318"	756318	"gw694234a"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1"	0	NA	NA	2	2	"440798134"	NA
"756319"	756319	"gw694590a"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccc2[nH]1"	0	NA	NA	2	2	"440814379"	NA
"756323"	756323	"gw701427a"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(=O)O)cc3)ccc2[nH]1"	0	NA	NA	2	2	"440798133"	NA
"756324"	756324	"gw703087x"	"CC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	"440803801"	NA
"756327"	756327	"gw709042a"	"Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5ccccc5)nc4c3)cc2)C(F)(F)F"	0	NA	NA	2	2	"440800616"	NA
"756332"	756332	"gw768505a"	"COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4"	0	NA	NA	2	2	"440800605"	NA
"756333"	756333	"gw769076x"	"Cc1ccc(NC(=O)c2ccnc(c2)N3CCCC3)cc1c4ccc(cc4)C(=O)NCC5CC5"	0	NA	NA	2	1	"440809201"	NA
"756335"	756335	"gw770249a"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	"440803792"	NA
"756336"	756336	"gw770249x"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	"440798148"	NA
"756337"	756337	"gw771127a"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3"	0	NA	NA	2	1	"440806335"	NA
"756338"	756338	"gw772405x"	"CNC(=O)c1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	"440794835"	NA
"756345"	756345	"gw782612x"	"NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1"	0	NA	NA	2	1	"440803795"	NA
"756346"	756346	"gw782907x"	"Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CCCCC4"	0	NA	NA	2	1	"440806330"	NA
"756348"	756348	"gw784307a"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)C(=O)NCCN(C)C)ncnc23"	0	NA	NA	2	2	"440794836"	NA
"756350"	756350	"gw784752x"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	"440803765"	NA
"756352"	756352	"gw785804x"	"Nc1nc(c2ccc(F)cc2)c(s1)c3ccc4ncccc4n3"	0	NA	NA	2	2	"440798141"	NA
"756355"	756355	"gw794607x"	"CCCNc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	"440798106"	NA
"756356"	756356	"gw794726x"	"CC(=O)Nc1cccc(n1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	"440794809"	NA
"756357"	756357	"gw795486x"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	"440803786"	NA
"756358"	756358	"gw795493x"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	"440798130"	NA
"756362"	756362	"gw801372x"	"COc1cc(Nc2nccc(n2)c3cnn4ncccc34)cc(OC)c1"	0	NA	NA	2	1	"440811643"	NA
"756363"	756363	"gw804482x"	"COc1cccc(COc2cc(sc2C(=O)N)n3cnc4ccccc34)c1"	0	NA	NA	2	2	"440809195"	NA
"756364"	756364	"gw805758x"	"CC(C)c1ccc(Nc2nccc(n2)c3cnn4ncccc34)cc1"	0	NA	NA	2	2	"440814339"	NA
"756366"	756366	"gw806742x"	"CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3"	0	NA	NA	2	2	"440811664"	NA
"756368"	756368	"gw807930x"	"CC(=O)NCc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	"440814363"	NA
"756369"	756369	"gw807982x"	"CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cc(OC)cc(c4)C(F)(F)F)n3"	0	NA	NA	2	2	"440811647"	NA
"756370"	756370	"gw809885x"	"COc1cccc(c1)n2nc(C)c3c(N\N=C(/C)\c4ccncc4)ncnc23"	0	NA	NA	2	2	"440794815"	NA
"756371"	756371	"gw809897x"	"CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c3ccnc(Nc4cccc(CS(=O)(=O)C)c4)n3"	0	NA	NA	2	2	"440800599"	NA
"756372"	756372	"gw810372x"	"COc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3"	0	NA	NA	2	2	"440803781"	NA
"756374"	756374	"gw811168x"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)S(=O)(=O)C)ncnc23"	0	NA	NA	2	2	"440811646"	NA
"756375"	756375	"gw811761x"	"CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(c4)C(F)(F)F)n3"	0	NA	NA	2	2	"440809196"	NA
"756377"	756377	"gw814408x"	"COc1cccc(c1)c2c[nH]c3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	"440809180"	NA
"756384"	756384	"gw827099x"	"Fc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	"440811662"	NA
"756385"	756385	"gw827102x"	"FC(F)(F)c1cccc(c1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	"440798115"	NA
"756387"	756387	"gw827106x"	"COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	"440811645"	NA
"756391"	756391	"gw829055x"	"Clc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	"440803766"	NA
"756394"	756394	"gw829877x"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(C)cc4)ncnc23"	0	NA	NA	2	1	"440800592"	NA
"756395"	756395	"gw829906x"	"Cc1ccc2c(c3ccnc(Nc4cccc(c4)C(F)(F)F)n3)c(nn2n1)c5ccccc5"	0	NA	NA	2	2	"440814358"	NA
"756401"	756401	"gw832467x"	"Cc1ccc2c(c3ccnc(Nc4ccc5OCCOc5c4)n3)c(nn2n1)c6ccc(cc6)C(F)(F)F"	0	NA	NA	2	2	"440800593"	NA
"756402"	756402	"gw833373x"	"Cc1ccc2c(c3ccnc(Nc4ccccc4)n3)c(nn2n1)c5ccc(F)cc5"	0	NA	NA	2	2	"440798113"	NA
"756403"	756403	"gw837331x"	"COc1cc(Nc2ncc3c(C)nc(c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC"	0	NA	NA	2	1	"440814350"	NA
"756404"	756404	"gw843682x"	"COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	"440809176"	NA
"756405"	756405	"gw846105x"	"O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C3CC3)c4cccc5ccccc45"	0	NA	NA	2	2	"440794811"	NA
"756406"	756406	"gw852849x"	"COc1cc2ncn(c3cc(OCc4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	"440806310"	NA
"756407"	756407	"gw853606x"	"NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccc(cc34)C(F)(F)F"	0	NA	NA	2	2	"440811653"	NA
"756409"	756409	"gw856804x"	"Nc1ncc(c2cccc(c2)S(=O)(=O)N)c3scc(c4ccc(F)c(Cl)c4)c13"	0	NA	NA	2	1	"440811654"	NA
"756411"	756411	"gw869810x"	"Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@@H]5C[C@H](CN5)OC(=O)N6CCOCC6)sc34)cc2Cl)c1"	0	NA	NA	2	2	"440814343"	NA
"756413"	756413	"gw876790x"	"CCn1c(nc2cncc(C(=O)NCCNC)c12)c3nonc3N"	0	NA	NA	2	2	"440798111"	NA
"756416"	756416	"sb-220025-a"	"Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4"	0	NA	NA	2	2	"440798110"	NA
"756417"	756417	"sb-220025-r"	"Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4"	0	NA	NA	2	1	"440814348"	NA
"756418"	756418	"sb-220455"	"CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(N)n4"	0	NA	NA	2	1	"440794827"	NA
"756420"	756420	"sb-223133"	"Nc1nccc(n1)c2c(ncn2C3CCC(O)CC3)c4ccc(F)cc4"	0	NA	NA	2	2	"440798108"	NA
"756422"	756422	"sb-236687"	"CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	"440806308"	NA
"756424"	756424	"sb-242717"	"Fc1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1"	0	NA	NA	2	1	"440806320"	NA
"756432"	756432	"sb-253226"	"Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5cccc(c5)C(F)(F)F)n4"	0	NA	NA	2	1	"440794826"	NA
"756437"	756437	"sb-278538"	"CC(C)(C)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1"	0	NA	NA	2	1	"440794817"	NA
"756445"	756445	"sb-361058"	"COc1ccc(cc1)C2=C(N3CCc4ccccc34)C(=O)NC2=O"	0	NA	NA	2	1	"440800586"	NA
"756448"	756448	"sb-390527"	"Oc1cccc(NC2=C(C(=O)NC2=O)c3ccccc3Cl)c1"	0	NA	NA	2	2	"440803787"	NA
"756449"	756449	"sb-400868-a"	"C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1"	0	NA	NA	2	2	"440803778"	NA
"756454"	756454	"sb-437013"	"COc1ccc2cc(ccc2c1)c3c(nc(c4ccc(cc4)S(=O)C)n3C)c5ccncc5"	0	NA	NA	2	1	"440798127"	NA
"756455"	756455	"sb-476429-a"	"NCc1ccc(cc1)c2nc(c3ccc(Cl)c(O)c3)c([nH]2)c4ccncc4"	0	NA	NA	2	1	"440803772"	NA
"756456"	756456	"sb-590885-aad"	"CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4"	0	NA	NA	2	2	"440798126"	NA
"756457"	756457	"sb-610251-b"	"Oc1cccc(c1)c2nc([nH]c2c3ccncc3)c4ccccc4"	0	NA	NA	2	2	"440806321"	NA
"756458"	756458	"sb-614067-r"	"O\N=C\1/CCc2cc(ccc12)c3nc([nH]c3c4ccncc4)C5CCNCC5"	0	NA	NA	2	2	"440809185"	NA
"756462"	756462	"sb-675259-m"	"O=C(Nc1n[nH]c2nnc(cc12)c3cccnc3)C4CC4"	0	NA	NA	2	2	"440794839"	NA
"756463"	756463	"sb-678557-a"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4ccccc4"	0	NA	NA	2	1	"440798125"	NA
"756464"	756464	"sb-682330-a"	"CN(C)CCOc1ccc(cc1)c2oc(c3ccncc3)c(c2)c4ccc5\C(=N\O)\CCc5c4"	0	NA	NA	2	2	"440806315"	NA
"756465"	756465	"sb-686709-a"	"CCN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F"	0	NA	NA	2	2	"440798122"	NA
"756466"	756466	"sb-698596-ac"	"CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F)CC1"	0	NA	NA	2	2	"440806324"	NA
"756468"	756468	"sb-725317"	"Oc1ccc(cc1)c2nc3[nH]nc(NC(=O)C4CC4)c3cc2Br"	0	NA	NA	2	1	"440809190"	NA
"756469"	756469	"sb-732881"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4"	0	NA	NA	2	2	"440803785"	NA
"756470"	756470	"sb-732881-h"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4"	0	NA	NA	2	2	"440794861"	NA
"756471"	756471	"sb-732941"	"O=C(Nc1n[nH]c2cc(ccc12)c3ccccc3)C4CC4"	0	NA	NA	2	2	"440794859"	NA
"756476"	756476	"sb-736302"	"Nc1nonc1c2nc3cnccc3n2C4CC4"	0	NA	NA	2	2	"440811676"	NA
"756477"	756477	"sb-737198"	"CCOc1nccc2c1nc(c3nonc3N)n2CC"	0	NA	NA	2	1	"440806348"	NA
"756480"	756480	"sb-739245-ac"	"CCN1CCC(CC(=O)Nc2n[nH]c3nc(c(Br)cc23)c4cccs4)CC1"	0	NA	NA	2	1	"440811677"	NA
"756481"	756481	"sb-739452"	"Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1c4occc4"	0	NA	NA	2	1	"440811679"	NA
"756482"	756482	"sb-741905"	"NS(=O)(=O)c1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	2	1	"440806345"	NA
"756483"	756483	"sb-742864"	"CS(=O)(=O)Nc1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	2	2	"440814383"	NA
"756487"	756487	"sb-750140"	"NCc1ccc(cc1)n2c(nc3cnccc23)c4nonc4N"	0	NA	NA	2	2	"440806346"	NA
"756488"	756488	"sb-751148"	"CCc1nccc2c1nc(c3nonc3N)n2CC"	0	NA	NA	2	1	"440800608"	NA
"756489"	756489	"sb-751399"	"CN(C)CCCn1c(nc2cnccc12)c3nonc3N"	0	NA	NA	2	1	"440803806"	NA
"756491"	756491	"sb-772077-b"	"CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)c4nonc4N"	0	NA	NA	2	2	"440800626"	NA
"756492"	756492	"sb-814597"	"Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c4ccccc14"	0	NA	NA	2	2	"440798150"	NA
"756501"	756501	""	"NC(=N)NC(=N)NCCc1ccccc1"	0	NA	NA	1	1	"440797914"	NA
"756619"	756619	""	"Fc1ccc(cc1)c2nn3c(nnc3s2)c4cc(cc(c4)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"440803715"	NA
"756641"	756641	"ICG-001"	"Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1"	0	"Apo|Wnt|CTNNB1"	"Clinical trial"	2	2	"-1"	"780757882"
"756642"	756642	"Entinostat"	"Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"209783802"
"756643"	756643	"KX-01"	"O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4"	0	"PK:YK,SRC"	"FDA approved"	2	2	"-1"	"897016829"
"756645"	756645	"Crizotinib"	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl"	0	"PK:YK,MET,ALK"	"FDA approved"	3	3	"54613769"	"877399525"
"756646"	756646	"IWR-1"	"O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@@H](C=C6)[C@H]5C4=O"	0	"Wnt|CTNNB1"	"Clinical trial"	2	2	"-1"	"1127442823"
"756647"	756647	"Quizartinib"	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	"PK:YK,PDGFR,FLT,KIT,FLT3"	"FDA approved"	2	2	"-1"	NA
"756648"	756648	"AZD-1480"	"C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3"	0	"PK:YK,JAK,JAK1,JAK2"	"Clinical trial"	2	2	"-1"	"935666889"
"756652"	756652	"Linsitinib"	"C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	"-1"	"867160712"
"756654"	756654	"ZM-336372"	"CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(O)cc3)c2"	0	"GTPase|PK:BRAF,RAF,RAF1"	"Clinical trial"	2	1	"-1"	"208260291"
"756656"	756656	"MK-2206"	"NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"FDA approved"	3	2	"-1"	"1032349771"
"756657"	756657	"OSU-03012"	"NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F"	0	"PK:STK,PDK1"	"Clinical trial"	2	1	"-1"	"742112330"
"756659"	756659	"Intedanib"	"COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)/c5ccccc5)\C(=O)Nc2c1"	0	"PK:YK,PDGFR,FGFR,VEGFR,FLT3"	"FDA approved"	3	3	"-1"	NA
"756660"	756660	"Quercetin"	"OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3"	0	"TOP2|AO|NonCan:COMT"	"Clinical trial"	2	2	"-1"	"117395"
"756662"	756662	"sr 13654"	"CCOC(=O)c1ccc2[nH]c(Cc3[nH]c4ccc(cc4c3C)C(=O)OCC)c(C)c2c1"	0	"BIRC5|PK:YK"	"Clinical trial"	4	4	"-1"	"666752223"
"756663"	756663	"Obatoclax"	"COC1=CC(=N/C/1=C/c2[nH]c(C)cc2C)c3cc4ccccc4[nH]3"	0	"Apo|BCL2"	"Clinical trial"	2	2	"-1"	"803712790"
"756673"	756673	"Cetylpyridinium Chloride"	"CCCCCCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	2	1	"144074943"	"6004246"
"756688"	756688	"colistimethate sodium (usan)"	"CCC(C)C1NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O"	0	""	""	1	1	"60148381"	"8068288"
"756694"	756694	"ciclopirox olamine (usan)"	"CC1=CC(=O)N(O)C(=C1)C2CCCCC2"	0	NA	NA	1	1	"144074964"	"41621492"
"756698"	756698	"clomid"	"CCN(CC)CCOc1ccc(cc1)\C(=C(/Cl)\c2ccccc2)\c3ccccc3"	0	NA	NA	1	1	"144074968"	"50419"
"756702"	756702	"Colchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	"FDA approved"	2	2	"-1"	"64868"
"756717"	756717	"Daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	2	2	"30323"	"20830813"
"756731"	756731	"Pyrithione Zinc"	"S=C1CC=CC=[N+]1O[Zn]ON2C=CC=CC2=S"	0	""	""	2	1	"6327770"	"13463417"
"756738"	756738	"Digoxin"	"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C"	0	"NonCan:CardG"	"FDA approved"	2	1	"5702042"	"20830755"
"756754"	756754	"emetine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45"	0	""	""	2	1	"60148385"	"316427"
"756765"	756765	"(trans-1,2-cyclohexanediamine)(dihydrogen pyrophosphato)..."	"OP1(=O)OP(=O)(O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	NA	NA	1	1	"440811464"	NA
"756779"	756779	"diphenyl tin benzyl prodigiosene ester"	"COC1=CC2=[N+]3C1=Cc4[nH-](c(C)c(C(=O)OCc5ccccc5)c4C)[Sn+2]3([nH-]6cccc26)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	"441653750"	NA
"756783"	756783	"n-[(8-hydroxy-7-quinolinyl)(4-methylphenyl)methyl]benzamide"	"Cc1ccc(cc1)C(NC(=O)c2ccccc2)c3ccc4cccnc4c3O"	0	NA	NA	2	2	"440794946"	NA
"756784"	756784	"dpc046"	"COc1ccc(cc1)c2oc(nc2)c3ccncc3c4cccc(OC)c4"	0	NA	NA	2	2	"440803714"	NA
"756833"	756833	""	"Cc1ccc(cc1)C2=Nc3ccc(Cl)cc3C(=O)N2N4C(SCC4=O)c5ccccc5Cl"	0	NA	NA	1	1	"440800246"	NA
"756875"	756875	"(+/-)-Nutlin-3"	"COc1ccc(C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5)c(OC(C)C)c1"	0	"Apo|MDM2"	"Clinical trial"	2	1	"-1"	"548472680"
"756876"	756876	"(-)-Nutlin-3"	"COc1ccc(C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5)c(OC(C)C)c1"	0	"Apo|MDM2"	"Clinical trial"	2	2	"-1"	"675576984"
"756877"	756877	"1st Precursor Intermediate to TDP 665759"	"C[C@@H](N1[C@@H](C(=O)Nc2ccc(I)cc2C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4[N+](=O)[O-]"	0	"Apo|MDM2"	"Clinical trial"	1	1	"-1"	NA
"756879"	756879	"Lificguat"	"OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24"	0	"HYP|HIF1|EPAS1"	"Clinical trial"	2	2	"-1"	"170632470"
"756971"	756971	""	"COc1ccc(CNC(=N)NC(=N)N)cc1OC"	0	NA	NA	1	1	"440806095"	"802844639"
"756972"	756972	""	"NC(=N)NC(=N)NCc1occc1"	0	NA	NA	2	1	"440806093"	"5146225"
"756998"	756998	"1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr..."	"Nc1ccc(cc1)C(=C2C[C-]34C5=C6C7=C3[Fe+2]456789%10%11C%12=C8[C-]9(C2)C%10=C%11%12)c%13ccc(O)cc%13"	0	NA	NA	2	2	"441653712"	NA
"757000"	757000	"ww-h1"	"ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)N(CCCl)CCCl"	0	"HDAC"	""	1	1	"-1"	NA
"757002"	757002	"5-chloro-1-(7-chloro-3-methyl-1,4-dioxyquinoxalin-2-yl)-..."	"COc1cc(cc(OC)c1OC)\C(=C\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])\Cl"	0	NA	NA	1	1	"440800501"	NA
"757027"	757027	"Ethinyl estradiol"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#C"	0	"Ho"	"FDA approved"	1	1	"24707"	"57636"
"757036"	757036	"Fluorouracil"	"FC1=CNC(=O)NC1=O"	0	"Ds|Rs|TYMS"	"FDA approved"	1	1	"-1"	"51218"
"757043"	757043	"gramicidin"	"CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C"	0	""	""	3	3	"3851247"	"1405976"
"757050"	757050	"badil"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	""	"FDA approved"	2	1	"11057"	"548629"
"757055"	757055	"Hexachlorophene"	"Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl"	0	NA	NA	1	1	"144075067"	"70304"
"757087"	757087	"Nitrogen mustard"	"CN(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	2	2	"4033"	"51752"
"757098"	757098	"Melphalan"	"N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O"	0	"A7|AlkAg"	"FDA approved"	1	1	"460612"	"148823"
"757113"	757113	"dl-amethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	"4112"	"60388536"
"757148"	757148	"AZD-7762"	"NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3"	0	"PK:STK,CHEK,CHEK1,CHEK2"	"Clinical trial"	4	4	"-1"	"860352018"
"757149"	757149	"Volasertib"	"CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)ncc2N(C)C1=O"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	"755038654"
"757177"	757177	""	"NC(=O)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1"	0	NA	NA	2	2	"440794628"	NA
"757296"	757296	"pyrvinium pamoate (usan)"	"CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1.Oc5c(Cc6c(O)c(cc7ccccc67)C(=O)[O-])c8ccccc8cc5C(=O)[O-]"	0	""	""	2	2	"54720821"	"3546416"
"757306"	757306	"malacid"	"CCc1nc(N)nc(N)c1c2ccc(Cl)cc2"	0	"DHFR"	"FDA approved"	1	1	"-1"	"58140"
"757334"	757334	"Cpd-401"	"CN(C(=O)c1ccc(cc1)C(F)(F)F)c2ccc(Oc3ccc4c(c3)cc(C(=O)N5CCN(Cc6ccc(OC(F)F)cc6)CC5)n4C)nc2"	0	"STAT|STAT3"	"Clinical trial"	4	4	"-1"	NA
"757348"	757348	"6-Thioguanine"	"NC1=Nc2nc[nH]c2C(=S)N1"	0	"Ds|IMPDH2|IMPDH"	"FDA approved"	2	2	"-1"	"154427"
"757350"	757350	"navan"	"CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C/CCN4CCN(C)CC4)\c2c1"	0	""	"FDA approved"	1	1	"941650"	"5591457"
"757363"	757363	"Tyrothricin"	"CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C"	0	"NonCan:Ant"	"FDA approved"	2	2	"16132496"	"1404882"
"757384"	757384	"Vinblastine"	"CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	"9962911"	"143679"
"757387"	757387	"acriflavinium hydrochloride"	"C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	"144075285"	"8018073"
"757391"	757391	"Dichlorophene"	"Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O"	0	NA	NA	1	1	"144075289"	"97234"
"757400"	757400	"pentamidine isethionate"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	"FDA approved"	1	1	"359323"	"140647"
"757402"	757402	"phenylmercuric acetate (usan)"	"CC(=O)O[Hg]c1ccccc1"	0	NA	NA	2	2	"144075300"	"62384"
"757424"	757424	"melbex"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O"	0	""	"FDA approved"	2	2	"-1"	"24280931"
"757425"	757425	"ouabain"	"C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O"	0	""	"FDA approved"	2	1	"12420"	"11018896"
"757427"	757427	"aminopterin"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	"DHFR"	""	2	2	"2154"	"54626"
"757436"	757436	"Cabozantinib"	"Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5[nH]c(cc45)C(=O)NCCN6CCOCC6)cc3)cc1"	0	"PK:YK,MET,AXL,KIT,VEGFR,FLT3,RET"	"FDA approved"	2	2	"-1"	"1021950264"
"757437"	757437	"Salinomycin"	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	"Apo|Ab|CD133"	"FDA approved"	2	2	"-1"	"53003104"
"757438"	757438	"PLX-4720"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F"	0	"GTPase|PK:BRAF"	"Clinical trial"	4	4	"-1"	"918505847"
"757439"	757439	"Neratinib"	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	"PK:YK,EGFR,ERBB2"	"FDA approved"	2	2	"-1"	"698387096"
"757440"	757440	"Deforolimius"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OP(=O)(C)C"	0	"PK:STK,MTOR"	"Clinical trial"	2	2	"-1"	"572924540"
"757441"	757441	"Axitinib"	"CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2"	0	"PK:YK,PDGFR,VEGFR"	"FDA approved"	2	2	"6450551"	"319460850"
"757442"	757442	"Intedanib"	"COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)/c5ccccc5)\C(=O)Nc2c1"	0	"PK:YK,PDGFR,FGFR,VEGFR,FLT3"	"FDA approved"	2	2	"-1"	"928326834"
"757444"	757444	"Barasertib"	"CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"722544516"
"757568"	757568	""	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)OC(C)C)n2"	0	NA	NA	2	2	"440800809"	NA
"757569"	757569	""	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/c3ocnn3)n2"	0	NA	NA	2	2	"440804002"	NA
"757795"	757795	"Berberine Chloride"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	1	1	"144075344"	"633658"
"757804"	757804	"Etoposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26"	0	"TOP2"	"FDA approved"	2	2	"6708815"	"33419420"
"757818"	757818	"Ethaverine Hydrochloride"	"CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC"	0	""	""	1	1	"5702159"	"985137"
"757824"	757824	"fenbendazole (usan)"	"COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1"	0	""	""	2	2	"3334"	"43210679"
"757836"	757836	"puromycin hydrochloride (usan)"	"COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)OC([C@@H]2O)n3cnc4c(ncnc34)N(C)C)cc1"	0	""	""	2	2	"60148403"	"58582"
"757838"	757838	"Mebendazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3"	0	"Tu-stab"	"FDA approved"	2	2	"-1"	"31431397"
"757852"	757852	"suloctidil (usan)"	"CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1"	0	""	""	1	1	"5354"	"54063568"
"757882"	757882	"Econazole Nitrate"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1"	0	""	"FDA approved"	2	1	"68589"	"68797319"
"757908"	757908	""	"CCCN(CCC)c1ccc(C=O)c(C)c1"	0	NA	NA	2	2	"440806090"	NA
"757909"	757909	""	"CCCN(CCC)c1ccc(C=O)c(OC)c1"	0	NA	NA	1	1	"440808963"	NA
"757910"	757910	""	"CCCN(CCC)c1ccc(C=O)c(Cl)c1"	0	NA	NA	2	2	"440797912"	NA
"757911"	757911	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(C)c1"	0	NA	NA	1	1	"440808965"	NA
"757912"	757912	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(OC)c1"	0	NA	NA	1	1	"440808964"	NA
"757913"	757913	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(Cl)c1"	0	NA	NA	2	2	"440800373"	NA
"757914"	757914	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)cc1"	0	NA	NA	1	1	"440803580"	NA
"757915"	757915	""	"CCCN(CCC)c1ccc(C=O)cc1"	0	NA	NA	2	2	"440800372"	NA
"757924"	757924	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(4-bromophenyl)-1h-..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(Cl)cc4)ccc1O"	0	NA	NA	2	2	"440800540"	NA
"757925"	757925	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(4-fluorophenyl)-1h..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(F)cc4)ccc1O"	0	NA	NA	2	1	"440806258"	NA
"757926"	757926	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(2,4-dimethylphenyl..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(C)cc4C)ccc1O"	0	NA	NA	2	2	"440811605"	NA
"757927"	757927	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(3-chloro-4-fluorop..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(F)c(Cl)c4)ccc1O"	0	NA	NA	2	2	"440798070"	NA
"757929"	757929	"3,5-bis(4-hydroxy-3-methoxystyryl)-1h-pyrazole-1-phenyl"	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)c4ccccc4)ccc1O"	0	NA	NA	2	2	"440794779"	NA
"757933"	757933	"1,3-diphenyl-4-(3-phenyl-4,5-dihydro-1h-pyrazol-5-yl)-1h..."	"C1[C@H](NN=C1c2ccccc2)c3cn(nc3c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"440803593"	NA
"757946"	757946	"(1r,2e,6r,10e,11as,13s,14ar)-1,13-dihydroxy-6-(2-hydroxy..."	"OCC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	"440806181"	NA
"757948"	757948	"(1r,2e,6r,10e,11as,13s,14ar)-1,13-dihydroxy-6-(2-methoxy..."	"COCC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	"440800474"	NA
"757949"	757949	"(1r,2e,6r,10e,11as,13s,14ar)-6-(2-(benzyloxy)ethyl)-1,13..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCOCc3ccccc3)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	"440811535"	NA
"757981"	757981	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	"440811521"	NA
"757982"	757982	""	"CN(C)CCN1C(=O)c2ccc3C(=O)N(CCN=C=S)C(=O)c4ccc(C1=O)c2c34"	0	NA	NA	2	2	"440806168"	NA
"757983"	757983	""	"COc1ccc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCN)C(=O)c5ccc(C2=O)c3c45)c(OC)c1OC"	0	NA	NA	1	1	"440797987"	NA
"758005"	758005	"Sapitinib"	"CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	"-1"	"848942610"
"758007"	758007	"Tivozanib"	"COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"	0	"PK:YK,MET,PDGFR,FGFR,KIT,VEGFR,FLT3,KDR"	"FDA approved"	4	4	"-1"	"475108180"
"758025"	758025	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)c5OCOc5c4"	0	NA	NA	2	2	"440814486"	NA
"758026"	758026	""	"COc1ccc2NC3=C(C(c4cc(OC)c5OCOc5c4)c2c1)C(=O)OC3"	0	NA	NA	2	2	"440809333"	NA
"758027"	758027	""	"COc1ccc(cc1O)C(=O)c2cc(OC)c3OCOc3c2"	0	NA	NA	2	2	"440803922"	NA
"758028"	758028	""	"COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6CCCc6cc35"	0	NA	NA	2	2	"440794983"	NA
"758030"	758030	""	"COc1ccc(cc1)c2c(N)onc2c3cc4OCOc4c(OC)c3OC"	0	NA	NA	2	2	"440800735"	NA
"758031"	758031	""	"COc1ccc(cc1)c2c(N)onc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440814487"	NA
"758032"	758032	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c5OCOc5c4"	0	NA	NA	2	2	"440794984"	NA
"758033"	758033	""	"COc1ccc(\C=C(/C#N)\c2cc(OC)c3OCOc3c2)cc1"	0	NA	NA	2	2	"440811785"	NA
"758119"	758119	"(1r,6s,11as,13s,14ar)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](OC(=O)\C=C\[C@@H](O)[C@@H]2C1)C=C"	0	NA	NA	2	2	"440798000"	NA
"758183"	758183	"monensin sodium"	"CC[C@]1(O)OC([C@@H](C)C[C@H]1C)[C@H]2C[C@H](C)C(O2)[C@]3(CC)CC[C@@H](O3)[C@]4(C)CCC5(C[C@H](O)[C@@H](C)[C@H](O5)[C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O4"	0	""	"FDA approved"	2	2	"60148410"	"22373780"
"758186"	758186	"Azacitidine"	"NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O"	0	"DNMT"	"FDA approved"	1	1	"-1"	"320672"
"758187"	758187	"cycloheximide (usan)"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2"	0	NA	NA	2	1	"144075480"	"66819"
"758188"	758188	"azaserin"	"NC(COC(=O)C=[N+]=[N-])C(=O)O"	0	""	""	1	1	"830"	"115026"
"758230"	758230	"Floxuridine"	"OC[C@H]1OC(C[C@H]1O)N2C=C(F)C(=O)NC2=O"	0	"Ds|TYMS"	"FDA approved"	2	2	"5702211"	"50919"
"758242"	758242	"Tivantinib"	"O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56"	0	"PK:YK,MET"	"Clinical trial"	4	2	"-1"	"1000873982"
"758243"	758243	"BMS-754807"	"C[C@]1(CCCN1c2nc(Nc3cc(n[nH]3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	"-1"	"1001350964"
"758244"	758244	"tepotinib"	"CN1CCC(COc2cnc(nc2)c3cccc(CN4N=C(C=CC4=O)c5cccc(c5)C#N)c3)CC1"	0	"PK:YK,MET"	"FDA approved"	3	2	"-1"	"1100598320"
"758245"	758245	"ENMD-2076"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2.O[C@H]([C@@H](O)C(=O)O)C(=O)O"	0	"PK:STK,AURK,KDR"	"Clinical trial"	2	2	"-1"	"934353761"
"758246"	758246	"Trametinib"	"CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	2	2	"-1"	"871700173"
"758247"	758247	"Palbociclib"	"CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O"	0	"PK:STK,CDK,CDK4,CDK6"	"FDA approved"	2	2	"-1"	"571190302"
"758248"	758248	"RO-5126766"	"CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F"	0	"GTPase|PK:STK,YK,BRAF,MAP2K,RAF,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"946128887"
"758249"	758249	"Pracinostat"	"CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"929016966"
"758250"	758250	"SNS-314"	"Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"1146618418"
"758251"	758251	"Amonafide"	"CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23"	0	"TOP2"	"Clinical trial"	2	2	"-1"	"69408817"
"758252"	758252	"Carfilzomib"	"CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]4(C)CO4"	0	"PSM"	"FDA approved"	2	2	"-1"	"868540174"
"758253"	758253	"Homoharringtonine"	"COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	"Apo|Ang|Pi"	"FDA approved"	2	2	"-1"	"26833874"
"758254"	758254	"Ixazomib citrate"	"CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B2OC(=O)CC(CC(=O)O)(O2)C(=O)O"	0	"PSM"	"FDA approved"	2	2	"-1"	"1201902808"
"758255"	758255	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	2	2	"-1"	"29767202"
"758256"	758256	"PKI-587"	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2"	0	"PK:STK,PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1197160783"
"758257"	758257	"LY-2606368"	"COc1cccc(OCCCN)c1c2cc(Nc3cnc(cn3)C#N)n[nH]2"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	3	3	"-1"	"1234015543"
"758356"	758356	"2-(1-(4-chlorophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(py..."	"Clc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	"440800769"	NA
"758357"	758357	"2-oxo-n-(pyridin-4-yl)-2-(1-tosyl-1h-indol-3-yl)acetamide"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	"440811760"	NA
"758359"	758359	"n3-[1-(3-phenoxybenzyl)-1h-1,2,3-triazol-4-yl]methyl-2-(..."	"Fc1ccc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)cc1"	0	NA	NA	1	1	"440794932"	NA
"758367"	758367	"2-(3,5-dimethoxyphenylamino)-n-((1-(3-phenoxybenzyl)-1h-..."	"COc1cc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)cc(OC)c1"	0	NA	NA	1	1	"440811826"	NA
"758370"	758370	"2-(2,4-dimethoxyphenylamino)-n-((1-(3-phenoxybenzyl)-1h-..."	"COc1ccc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)c(OC)c1"	0	NA	NA	2	2	"440800704"	NA
"758376"	758376	"2-(1-(2-fluorophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(py..."	"Fc1ccccc1S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	"440805828"	NA
"758381"	758381	"2-(1-(4-bromophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(pyr..."	"Brc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	"440811762"	NA
"758394"	758394	"dequalinium chloride"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34"	0	""	""	2	2	"5351247"	"522510"
"758399"	758399	"chlorprothixene hydrochloride"	"CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc13"	0	""	""	1	1	"5702223"	"113597"
"758401"	758401	"Cetrimonium Bromide"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	0	NA	NA	2	1	"144075553"	"57090"
"758408"	758408	"pararosaniline pamoate"	"Nc1cccc(c1)C(=C2C=CC(=N)C=C2)c3cccc(N)c3"	0	""	""	2	1	"5702227"	"7232511"
"758423"	758423	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Cc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	"3926765"	"51264143"
"758427"	758427	"methylbenzethonium chloride (usan)"	"Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C"	0	""	""	1	1	"5702238"	"1320441"
"758440"	758440	"niclosamide (usan)"	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]"	0	NA	NA	2	2	"144075592"	"50657"
"758450"	758450	"mitoxantrone hydrochloride (usan)"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	2	2	"5458171"	"70476823"
"758459"	758459	"oxibendazole (usan)"	"CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1"	0	""	""	2	2	"4622"	"20559551"
"758465"	758465	"salinomycin, sodium"	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2OC3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	""	""	2	2	"60148415"	NA
"758480"	758480	"benzalkonium chloride"	"CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	"3014024"	"8001545"
"758484"	758484	"Ezatiostat"	"CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c2ccccc2"	0	"GSTP1|PK:STK,ROS1"	"Clinical trial"	2	1	"-1"	"286942970"
"758485"	758485	"BX-912"	"Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4"	0	"PK:STK,PDK1"	"Clinical trial"	2	2	"-1"	"702674564"
"758486"	758486	"HPI-1"	"COCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccccc4OC"	0	"SMO|Hg-Smo"	"Clinical trial"	2	2	"-1"	"599150206"
"758487"	758487	"Ponatinib"	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	"BCR-ABL|PK:YK"	"FDA approved"	3	2	"-1"	"943319708"
"758488"	758488	"Lexibulin"	"CCC[C@H](Nc1nc(ncc1C)c2ccc(NC(=O)NCC)c(OC)c2)c3cccnc3"	0	"TUBB|Tu-frag|Tu-stab"	"Clinical trial"	2	2	"-1"	"917111445"
"758489"	758489	"Indibulin"	"Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24)cc1"	0	"TUBB|Tu-frag|PK:PTK"	"Clinical trial"	2	2	"-1"	"204205903"
"758516"	758516	""	"Cc1cc(cc(C)c1N)C2=NNC(=O)Cc3cc4OCCOc4cc23"	0	NA	NA	1	1	"440811560"	NA
"758519"	758519	"1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,nÃ¸..."	"CCC[C]12=C3[C-]4C5=C1[Ru+2]23456([N-]C(=NC(=N6)C(F)(F)F)C(F)(F)F)P78CN9CN(CN(C9)C7)C8"	0	NA	NA	1	1	"440811531"	NA
"758534"	758534	""	"CCN(CC)c1ccc2C(C(=C(N)Oc2c1)C#N)c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440814482"	NA
"758535"	758535	""	"COc1cc(cc2OCOc12)\C(=C\c3ccc4OCOc4c3OC)\C#N"	0	NA	NA	2	2	"440805852"	NA
"758538"	758538	""	"COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	1	1	"440814479"	NA
"758539"	758539	""	"COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c3OCOc3c2)cc4OCOc14"	0	NA	NA	1	1	"440814483"	NA
"758540"	758540	""	"COc1ccc(cc1O)C(=O)c2cc(OC)c(OC)c(OC)c2OC"	0	NA	NA	1	1	"440800726"	NA
"758542"	758542	""	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccc(F)cc3"	0	NA	NA	1	1	"440809312"	NA
"758545"	758545	""	"COc1ccc(cc1)c2cnoc2c3ccc(OC)cc3O"	0	NA	NA	1	1	"440814480"	NA
"758546"	758546	""	"COc1ccc(cc1)C2=Cc3c(OC)c(OC)c(OC)cc3OC2=O"	0	NA	NA	1	1	"440809313"	NA
"758548"	758548	""	"COc1ccc(cc1)C2=C(C(=O)CC2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440794959"	NA
"758551"	758551	""	"COc1ccc(cc1)c2c(N)[nH]nc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440811784"	NA
"758553"	758553	""	"COc1ccc(cc1)c2n[nH]c(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	1	1	"440805882"	NA
"758554"	758554	""	"O=C(Nc1ccc2OCCOc2c1)C(=O)c3c[nH]c4ccccc34"	0	NA	NA	2	2	"440803925"	NA
"758556"	758556	""	"Fc1ccc2c(c[nH]c2c1)C(=O)C(=O)Nc3ccc4OCOc4c3"	0	NA	NA	1	1	"440811780"	NA
"758591"	758591	"SGX-523"	"Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2"	0	"PK:YK,MET"	"Clinical trial"	2	2	"-1"	"1022150577"
"758612"	758612	"Bleomycin"	"CC[C@@H]1O[C@H](O[C@H]([C@H](NC(=O)c2nc(nc(N)c2C)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)C(=O)N[C@H](C)[C@H](O)[C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCCNC(=N)N)c5cnc[nH]5)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](OC(=O)N)[C@@H]6O)[C@H](C)[C@@H]1C"	0	"Db"	"FDA approved"	2	2	"60148416"	"11056067"
"758617"	758617	"atorvastatin calcium (usan)"	"c1(c(n(c(c1c1ccccc1)c1ccc(cc1)F)CC[C@H](C[C@H](CC(=O)O)O)O)C(C)C)C(=O)Nc1ccccc1.[Ca]"	0	""	""	2	2	"60148418"	"134523038"
"758630"	758630	"homidium bromide"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	1	1	"144075653"	"1239458"
"758644"	758644	"albendazole (usan)"	"CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1"	0	NA	NA	2	2	"144075667"	"54965218"
"758645"	758645	"Paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	2	2	"441276"	"33069624"
"758662"	758662	"Lovastatin"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	"FDA approved"	1	1	"-1"	"75330755"
"758664"	758664	"Rapamycin"	"COC1CC(CC(C)C2CC(=O)C(C)\C=C(/C)\C(O)C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(/C)\C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O"	0	"PK:STK,MTOR"	"FDA approved"	2	2	"60148419"	"53123889"
"758667"	758667	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	2	2	"6708778"	"29767202"
"758670"	758670	"tannic acid"	"Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10"	0	""	""	1	1	"16134267"	"1401554"
"758671"	758671	"Ancitabine hydrochloride"	"OC[C@@H]1O[C@H]2[C@H](OC3=NC(=N)C=CN23)[C@H]1O"	0	"Ds"	"FDA approved"	1	1	"16667703"	"10212256"
"758682"	758682	"artenimol"	"C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"	0	""	"FDA approved"	2	2	"11832956"	"81496813"
"758706"	758706	"Simvastatin"	"CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	"AM|NonCan:Chol"	"FDA approved"	2	2	"-1"	"79902639"
"758772"	758772	"MIRA-1"	"CCC(=O)OCN1C(=O)C=CC1=O"	0	NA	NA	1	1	"440811459"	"72835268"
"758773"	758773	"Varbulin"	"COc1ccc(cc1)N(C)c2nc(C)nc3ccccc23"	0	"TUBB|Tu-frag"	"Clinical trial"	2	2	"-1"	"827031834"
"758774"	758774	"Belinostat"	"ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc2ccccc2"	0	"HDAC"	"FDA approved"	5	5	"-1"	"414864009"
"758845"	758845	""	"O=C(CNc1ccc2C(=O)c3ccccc3C(=O)c2c1)Nc4ccc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	2	1	"440809152"	NA
"758871"	758871	"AZD-8055"	"COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	"PK:STK,MTOR"	"Clinical trial"	2	1	"-1"	"1009298092"
"758872"	758872	"Saracatinib"	"CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1"	0	"PK:YK,FYN,LYN,FGFR,SRC,BLK,LCK,YES1"	"Clinical trial"	4	4	"-1"	"379231046"
"758873"	758873	"ABT-737"	"CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(Cc5ccccc5c6ccc(Cl)cc6)CC4"	0	"Apo|BCL2"	"Clinical trial"	2	2	"-1"	"852808049"
"758881"	758881	"orlistat (usan)"	"CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O"	0	""	""	1	1	"6710691"	"96829582"
"758889"	758889	"Diacetamate"	"CC(=O)Nc1ccc(OC(=O)C)cc1"	0	NA	NA	3	3	"144075750"	"2623338"
"758896"	758896	"fluvastatin"	"CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13"	0	""	"FDA approved"	2	2	"446155"	"93957541"
"758905"	758905	"mycophenolate mofetil (usan)"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3"	0	NA	NA	2	2	"144075766"	"115007346"
"758932"	758932	"Ethacridine lactate"	"CCOc1ccc2nc3cc(N)ccc3c(N)c2c1"	0	NA	NA	1	1	"144075793"	"1837576"
"758941"	758941	"nonoxynol-9"	"CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1"	0	""	""	2	2	"72385"	"26571119"
"758943"	758943	"oxfendazole (usan)"	"COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c3ccccc3"	0	""	""	1	1	"40854"	"53716500"
"758963"	758963	"Carmofur"	"CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	1	1	"2577"	"61422455"
"758965"	758965	"Cepharanthine"	"COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34"	0	NA	NA	1	1	"144075826"	"481492"
"758968"	758968	"Miltefosine"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	NA	NA	1	1	"144075829"	"58066856"
"759004"	759004	""	"CC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	"440803854"	NA
"759006"	759006	""	"Clc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	"440814419"	NA
"759016"	759016	""	"COc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	"440798186"	NA
"759017"	759017	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	"440798188"	NA
"759018"	759018	""	"Cc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	"440814417"	NA
"759025"	759025	""	"CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1"	0	NA	NA	2	2	"440798104"	NA
"759061"	759061	"mab631"	NA	0	NA	NA	2	2	"440803762"	NA
"759094"	759094	"ENMD-2076 Precursor"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(n2)C#Cc4ccccc4"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"934353750"
"759095"	759095	"JNJ-38877605"	"Cn1cc(cn1)c2ccc3nnc(n3n2)C(F)(F)c4ccc5ncccc5c4"	0	"PK:YK,MET"	"Clinical trial"	2	2	"-1"	NA
"759096"	759096	"Triapine"	"NC(=S)N\N=C\c1ncccc1N"	0	"Dr|CC"	"Clinical trial"	2	2	"-1"	NA
"759135"	759135	"Methylene Blue"	"CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	"FDA approved"	2	2	"6099"	"7220793"
"759155"	759155	"Doxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2	2	"6916127"	"23214928"
"759174"	759174	"Vincristine"	"CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	"9832825"	"2068782"
"759178"	759178	"Pipamperone"	"NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3"	0	"NonCan:Psy"	"FDA approved"	2	2	"4830"	"1893330"
"759195"	759195	"Epirubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2	2	"65348"	"56390091"
"759216"	759216	"(3-(4-bromophenyl)-5-(1,3-diphenyl-1h-pyrazol-4-yl)-4,5-..."	"COc1ccc(cc1)C(=O)N2N=C(CC2c3cn(nc3c4ccccc4)c5ccccc5)c6ccc(Br)cc6"	0	NA	NA	1	1	"440800393"	NA
"759224"	759224	"Idelalisib"	"CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5"	0	"PK:PIK3"	"FDA approved"	2	2	"-1"	"870281826"
"759228"	759228	"Idebenone"	"COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO"	0	""	"FDA approved"	1	1	"3686"	"58186279"
"759261"	759261	"Nifuroxazide"	"Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	"5337997"	"965526"
"759263"	759263	"Topotecan"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	2	2	"60699"	"119413546"
"759274"	759274	"Arsenic trioxide"	"O1[As]2O[As]3O[As](O[As]1O3)O2"	0	"Apo"	"FDA approved"	2	2	"518605"	"1327533"
"759283"	759283	"Clofazimine"	"CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	NA	NA	1	1	"144075993"	"2030639"
"759322"	759322	"mevastatin"	"CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	""	1	1	"5702286"	"73573883"
"759498"	759498	"CYC-116"	"Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	"PK:STK,AURK"	"Clinical trial"	2	1	"-1"	"693228636"
"759591"	759591	"podofilox (usan)"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	2	2	"144076069"	"518285"
"759612"	759612	"hydroxyprogesterone caproate (usan)"	"CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C"	0	""	""	2	1	"5702072"	"630568"
"759614"	759614	"6-Mercaptopurine"	"S=C1NC=Nc2nc[nH]c12"	0	"Ds|PPAT"	"FDA approved"	1	1	"-1"	"6112761"
"759630"	759630	"lanatoside c"	"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5"	0	""	""	2	1	"5702228"	"17575223"
"759657"	759657	"Quisinostat"	"Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14"	0	"HDAC"	"Clinical trial"	3	3	"-1"	"875320299"
"759658"	759658	"6-(4-pyrimidinyl)-1H-indazole derivative"	"CNc1nc(cc(n1)c2ccc3c(N)n[nH]c3c2)N4C[C@H](CC[C@H]4C)C(=O)NC5CCCCC5"	0	"PK:STK,PDK1"	"Clinical trial"	2	2	"-1"	"1227911456"
"759659"	759659	"Navitoclax"	"CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)S(=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7"	0	"Apo|BCL2"	"Clinical trial"	2	2	"-1"	"923564516"
"759660"	759660	"OSI-027"	"COc1cccc2cc([nH]c12)c3nc(C4CCC(CC4)C(=O)O)n5ncnc(N)c35"	0	"PK:STK,MTOR"	"Clinical trial"	2	2	"-1"	"1187559665"
"759661"	759661	"Dovitinib"	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O"	0	"PK:YK,MET,PDGFR,EGFR,FGFR,KIT,VEGFR,FGFR1,FGFR3,FLT3"	"Clinical trial"	2	2	"-1"	NA
"759675"	759675	"KW-2449"	"O=C(N1CCNCC1)c2ccc(\C=C\c3n[nH]c4ccccc34)cc2"	0	"BCR-ABL|PK:STK,AURK,FLT,FLT3"	"Clinical trial"	2	2	"-1"	"1000669726"
"759676"	759676	"PI-103"	"Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"371935749"
"759677"	759677	"Alisertib"	"COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(=O)O)c(OC)c4)nc3c5ccc(Cl)cc25"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"1028486012"
"759762"	759762	""	"COc1cc(NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	"440808846"	NA
"759817"	759817	"artesunate"	"C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"	0	""	"FDA approved"	2	2	"9821433"	"182824335"
"759821"	759821	"thiostrepton (usan)"	"CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)\C(=C/C)\NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O"	0	""	""	1	1	"16129666"	"1393482"
"759822"	759822	"Clioquinol"	"Oc1c(I)cc(Cl)c2cccnc12"	0	NA	NA	1	1	"144076152"	"130267"
"759850"	759850	"Docetaxel"	"CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	2	2	"9877265"	"148408666"
"759852"	759852	"Vorinostat"	"ONC(=O)CCCCCCC(=O)Nc1ccccc1"	0	"HDAC"	"FDA approved"	2	1	"-1"	"149647789"
"759856"	759856	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	"-1"	"184475352"
"759857"	759857	"Clofarabine"	"Nc1nc(Cl)nc2c1ncn2C3O[C@H](CO)[C@@H](O)[C@@H]3F"	0	"Ds"	"FDA approved"	2	2	"60148441"	"123318821"
"759877"	759877	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	"BCR-ABL|PK:YK,PDGFR,KIT"	"FDA approved"	2	2	"-1"	"863127779"
"759878"	759878	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	2	2	"-1"	"136572093"
"759882"	759882	"Nocodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3"	0	"Tu-stab"	""	2	2	"-1"	"31430189"
"759894"	759894	"piroctone olamine (usan)"	"CC(N)O.CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C"	0	""	""	2	2	"51371311"	"68890664"
"759905"	759905	"4SC-202"	"Cc1ccc(cc1)S(=O)(=O)O.Cn2cc(cn2)c3ccc(cc3)S(=O)(=O)n4ccc(\C=C\C(=O)Nc5ccccc5N)c4"	0	"HDAC"	"Clinical trial"	2	2	"-1"	NA
"760014"	760014	"(e)-3-(3,4-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p..."	"COc1ccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1OC"	0	NA	NA	1	1	"440794929"	NA
"760015"	760015	"e)-1-(4-(quinazolin-4-ylamino)phenyl)-3-(2,4,6-trimethox..."	"COc1cc(OC)c(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c(OC)c1"	0	NA	NA	2	2	"440814528"	NA
"760016"	760016	"(e)-3-(3,5-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p..."	"COc1cc(OC)cc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1"	0	NA	NA	1	1	"440800766"	NA
"760057"	760057	"Nitazoxanide"	"CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	"FDA approved"	2	2	"-1"	"55981094"
"760087"	760087	"Vinorelbine"	"CCC1=CC2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	"60780"	"71486221"
"760091"	760091	"mepartricin (usan)"	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2C)O3)C(=O)OC"	0	""	""	1	1	"9941647"	"11121327"
"760143"	760143	"Mocetinostat"	"Nc1ccccc1NC(=O)c2ccc(CNc3nccc(n3)c4cccnc4)cc2"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"726169739"
"760144"	760144	"AT-9283"	"O=C(NC1CC1)Nc2c[nH]nc2c3nc4cc(CN5CCOCC5)ccc4[nH]3"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"896466049"
"760180"	760180	"9-benzyl-7-benzyloxy-2-benzyl-1-methyl-9h-carbolinium br..."	"Cc1c2c(cc[n+]1Cc3ccccc3)c4ccc(OCc5ccccc5)cc4n2Cc6ccccc6"	0	NA	NA	2	2	"440811642"	NA
"760181"	760181	"9-(3-fluorobenzyl)-7-(3-fluorobenzyloxy)-2-(4-fluorobenz..."	"Cc1c2c(cc[n+]1Cc3ccc(F)cc3)c4ccc(OCc5cccc(F)c5)cc4n2Cc6cccc(F)c6"	0	NA	NA	2	2	"440809172"	NA
"760182"	760182	"9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl..."	"Cc1c2c(cc[n+]1Cc3ccccc3)c4ccc(OCC5CCCCC5)cc4n2CC6CCCCC6"	0	NA	NA	2	1	"440806303"	NA
"760183"	760183	"(+)-JQ1"	"Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1268524704"
"760200"	760200	""	"Clc1ccc2Oc3cc(Oc4ccccc4)ccc3C(=O)Nc2c1"	0	NA	NA	1	1	"440794960"	NA
"760216"	760216	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCCOc4c3)nn2)c5cccnc5"	0	NA	NA	2	2	"440800733"	NA
"760217"	760217	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCCOc4c3)nn2)c5ccncc5"	0	NA	NA	2	2	"440803915"	NA
"760220"	760220	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)cc(OC)c4"	0	NA	NA	2	2	"440805860"	NA
"760222"	760222	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	"440809319"	NA
"760223"	760223	""	"O=C1OCC2=C1C(c3ccccc3)c4cc5OCOc5cc4N2"	0	NA	NA	2	2	"440805859"	NA
"760224"	760224	""	"COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5c6CCCCc6ccc35"	0	NA	NA	2	2	"440809318"	NA
"760263"	760263	"6-(3,4-dimethoxylbenzyl)-8-(3,4,5-trimethoxyphenyl)l-5,6..."	"COc1ccc(Cn2nc(c3cc(OC)c(OC)c(OC)c3)c4c2CCc5cnoc45)cc1OC"	0	NA	NA	1	1	"440800519"	NA
"760286"	760286	"3-methoxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5h)..."	"COc1ccc2c(NC(=N)c3c4cc(OC)c(OC)cc4cn23)c1"	0	NA	NA	2	2	"440809106"	NA
"760289"	760289	"3-hydroxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5h)..."	"COc1cc2cn3c(C(=N)Nc4cc(O)ccc34)c2cc1OC"	0	NA	NA	2	2	"440806221"	NA
"760292"	760292	"8,9-dimethyl-pyrido[2,3-e]isoindolo[1,2-a]pyrazin-6(5h)one"	"Cc1cc2cn3c(C(=O)Nc4ncccc34)c2cc1C"	0	NA	NA	1	1	"440811582"	NA
"760313"	760313	"3-[2-(7-azaindol-3-yl)-1,3-thiazol-4-yl)-5-bromo-1-methy..."	"Cn1cc(c2csc(n2)c3c[nH]c4ncccc34)c5cc(Br)cnc15"	0	NA	NA	1	1	"440794749"	NA
"760359"	760359	"thonzide"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2"	0	NA	NA	1	1	"144076352"	"553082"
"760419"	760419	"Fenretinide"	"C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C"	0	"Ds"	"Clinical trial"	2	2	"-1"	"65646686"
"760421"	760421	"Tolonium chloride"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	"144076414"	"92319"
"760423"	760423	"pitavastatin calcium"	"[Ca+2].O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O"	0	""	""	1	1	"9955951"	"147511691"
"760442"	760442	"Daporinad"	"O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	"NAMPT|PK:YK"	"Clinical trial"	2	2	"-1"	NA
"760443"	760443	"Copanlisib"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	"PK:PIK3"	"FDA approved"	2	2	"-1"	NA
"760444"	760444	"Tipifarnib"	"CN1C(=O)C=C(c2cccc(Cl)c2)c3cc(ccc13)[C@](N)(c4ccc(Cl)cc4)c5cncn5C"	0	"FT|PK:YK"	"Clinical trial"	2	2	"-1"	"192185721"
"760474"	760474	"2k2s,s?"	"C\C(=C/C=C/C(=C/C=N/N=C\1/N\C(=N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)\[SH-][Cu+2](O)[SH-]1)/C)\C=C\C3=C(C)CCCC3(C)C.NCCCNCCCCNCCCN"	0	NA	NA	1	1	"441653595"	NA
"760476"	760476	"5,6,7,8-tetrafluoronaphtho[2,3-c][1,2,5]thiadiazole-4,9-..."	"Fc1c(F)c(F)c2C(=O)c3nsnc3C(=O)c2c1F"	0	NA	NA	2	2	"440803660"	NA
"760536"	760536	"PF-04691502"	"COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	NA
"760764"	760764	"Voreloxin"	"CN[C@H]1CN(C[C@@H]1OC)c2ccc3C(=O)C(=CN(c4nccs4)c3n2)C(=O)O"	0	"TOP2"	"FDA approved"	2	2	"-1"	NA
"760765"	760765	"BMS-690514"	"COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1"	0	"PK:YK,EGFR,ERBB2,VEGFR"	"Clinical trial"	2	2	"-1"	"859853308"
"760766"	760766	"Vandetanib"	"COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4"	0	"PK:STK,YK,PDGFR,EGFR,VEGFR,RET"	"FDA approved"	2	2	"-1"	"443913733"
"760841"	760841	"Tandutinib"	"COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5"	0	"PK:YK,PDGFR,FLT,KIT,FLT3"	"Clinical trial"	2	2	"-1"	"387867132"
"760843"	760843	"Motesanib"	"CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12"	0	"PK:YK,PDGFR,KIT,VEGFR,KDR,RET"	"Clinical trial"	2	1	"-1"	NA
"760950"	760950	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCOc4c3)nn2)c5cccnc5"	0	NA	NA	2	2	"440811782"	NA
"760951"	760951	""	"COc1cc(cc2OCOc12)C3C(=C(N)Oc4cc5OCOc5cc34)C#N"	0	NA	NA	2	2	"440805888"	NA
"760952"	760952	""	"COc1cccc(c1)C2C(=C(N)Oc3cc4OCOc4cc23)C#N"	0	NA	NA	2	2	"440803946"	NA
"760953"	760953	""	"NC1=C(C#N)C(c2cccs2)c3cc4OCOc4cc3O1"	0	NA	NA	2	2	"440800727"	NA
"760955"	760955	""	"COc1ccc(cc1)c2c(N)noc2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	"440800728"	NA
"760956"	760956	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c5OCCOc5c4"	0	NA	NA	2	2	"440794989"	NA
"760958"	760958	""	"COc1ccc(cc1)C2NC(=O)c3cc4OCOc4cc3N2"	0	NA	NA	1	1	"440794964"	NA
"760968"	760968	""	"COc1ccc(cc1)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	2	2	"440794979"	NA
"760978"	760978	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	"440809050"	NA
"760979"	760979	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	"440794708"	NA
"760980"	760980	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCOCCCCOCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	1	"440803642"	NA
"761039"	761039	""	"Nc1ccc(cc1Cl)C2=NNC(=O)Cc3cc4OCCOc4cc23"	0	NA	NA	1	1	"440800493"	NA
"761068"	761068	"Cabozantinib"	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC"	0	"PK:YK,MET,AXL,KIT,VEGFR,FLT3,RET"	"FDA approved"	2	2	"-1"	"849217681"
"761069"	761069	"AMG-900"	"Cc1csc(c1)c2nnc(Nc3ccc(Oc4ncccc4c5ccnc(N)n5)cc3)c6ccccc26"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	NA
"761070"	761070	"VE-821"	"CS(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3"	0	"PK:STK,ATR"	"Clinical trial"	2	2	"-1"	"1232410499"
"761083"	761083	""	"CSc1ccc(\C=C\2/C=C(CC(=O)NCc3ccc(cc3)C(=O)c4ccccc4)c5cc(F)ccc25)cc1"	0	NA	NA	2	2	"440798192"	NA
"761116"	761116	"(e)-3-((2-phenylimidazo[1,2-a]pyridin-3-yl)methylene)ind..."	"O=C1Nc2ccccc2/C/1=C\c3c(nc4ccccn34)c5ccccc5"	0	NA	NA	1	1	"440798279"	NA
"761130"	761130	"(e)-6-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin..."	"Fc1ccc(cc1)c2nc3ccccn3c2\C=C/4\C(=O)Nc5cc(Cl)ccc45"	0	NA	NA	2	1	"440800770"	NA
"761137"	761137	"n1-2-methoxy-5-[(z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"440800695"	NA
"761138"	761138	"n1-2-methoxy-5-[(z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440814545"	NA
"761139"	761139	"n1-2-methoxy-5-[(z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3ccc(F)cc3"	0	NA	NA	2	2	"440798278"	NA
"761141"	761141	"n1-2,3-dimethoxy-5-[(z)-2-(3,4,5-trimethoxyphenyl)-1-eth..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)c1OC"	0	NA	NA	1	1	"440814539"	NA
"761142"	761142	"n1-2,3-dimethoxy-5-[(z)-2-(3,4,5-trimethoxyphenyl)-1-eth..."	"COc1ccc(\C=C\C(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1OC"	0	NA	NA	1	1	"440798287"	NA
"761150"	761150	"(1r,2e,6r,10e,11as,13s,14ar)-1,13-dihydroxy-6-(2-(naphth..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3cccc4ccccc34)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	"440811536"	NA
"761152"	761152	"(1r,2e,6r,10e,11as,13s,14ar)-6-acetyl-1,13-dihydroxy-6,7..."	"CC(=O)[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	"440803661"	NA
"761154"	761154	"(1r,2e,6r,10e,11as,13s,14ar)-1,13-dihydroxy-6-(hydroxyme..."	"OC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	1	1	"440806182"	NA
"761156"	761156	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)CCl)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	"440798074"	NA
"761184"	761184	""	"CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)\C=C\c2cccc(Cl)c2"	0	NA	NA	1	1	"440806301"	NA
"761188"	761188	"Rabusertib"	"Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	2	2	"-1"	"911222452"
"761189"	761189	"Teglarinad"	"COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N\C(=N\C#N)\NCCCCCCOc2ccc(Cl)cc2)cc1"	0	"Apo|NAMPT"	"Clinical trial"	2	2	"-1"	NA
"761190"	761190	"Panobinostat"	"Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3"	0	"HDAC"	"FDA approved"	2	2	"-1"	"404950807"
"761191"	761191	"brigatinib"	"COc1cc(OCCCN2CCCC2)ccc1Nc3ncc(Cl)c(Nc4ccccc4P(=O)(C)C)n3"	0	"PK:YK,IGF1R,ALK,EGFR"	"FDA approved"	2	2	"-1"	"1197958363"
"761192"	761192	"Pevonedistat"	"NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n2ccc3c(NC4CCc5ccccc45)ncnc23"	0	"NFkB|NEDD8"	"Clinical trial"	2	2	"-1"	"905579513"
"761193"	761193	"Silmitasertib"	"OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24"	0	"CK2|PK:STK"	"Clinical trial"	2	2	"-1"	"1009820216"
"761194"	761194	"CUDC-305"	"CN(C)c1cc2OCOc2cc1Sc3nc4c(N)nccc4n3CCNCC(C)(C)C"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"1061318817"
"761215"	761215	"TAK-733"	"CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[C@@H](O)CO)C3=O)F"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"1035555635"
"761217"	761217	"Avagacestat"	"NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)S(=O)(=O)c3ccc(Cl)cc3"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	2	2	"-1"	"1146699662"
"761219"	761219	""	"CCCN(CCC)c1ccc(CO)c(Cl)c1"	0	NA	NA	2	2	"440808966"	NA
"761220"	761220	""	"CCCN(CCC)c1ccc(CO)c(C)c1"	0	NA	NA	1	1	"440803581"	NA
"761264"	761264	"mab347"	NA	0	NA	NA	1	1	"440811641"	NA
"761340"	761340	""	"CC1=NN(C(=O)/C/1=C\c2c[nH]c3ccc(Br)cc23)c4cccc(Cl)c4"	0	NA	NA	1	1	"440803866"	NA
"761385"	761385	"Sonidegib"	"C[C@@H]1CN(C[C@H](C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2"	0	"SMO|Hg-Smo"	"FDA approved"	2	1	"-1"	"956697533"
"761386"	761386	"Sonidegib"	"C[C@@H]1CN(C[C@H](C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2"	0	"SMO|Hg-Smo"	"FDA approved"	1	1	"-1"	"1218778778"
"761387"	761387	"CCT-128930"	"NC1(Cc2ccc(Cl)cc2)CCN(CC1)c3ncnc4[nH]ccc34"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	1	"-1"	"885499616"
"761390"	761390	"By-Product of CUDC-305"	"CC(C)(C)CN1CCn2c(S1)nc3c(N)nccc23"	0	"HSP90"	"Clinical trial"	1	1	"-1"	NA
"761393"	761393	"(z)-n-phenyl-3-(3,4,5-trimethoxystyryl)pyridin-2-amine"	"COc1cc(\C=C/c2cccnc2Nc3ccccc3)cc(OC)c1OC"	0	NA	NA	1	1	"440800767"	NA
"761400"	761400	"(e)-1-(4-methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamin..."	"COc1ccc(cc1)C(=O)\C=C\c2cccnc2Nc3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440809348"	NA
"761407"	761407	"n1-4-[(10-oxo-9,10-dihydro-9-anthracenyliden)methyl]phen..."	"FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc(C=C3c4ccccc4C(=O)c5ccccc35)cc2)cc1"	0	NA	NA	1	1	"440795009"	NA
"761409"	761409	"n1-(1,3-benzothiazol-6-yl)-2-(4-(2-(1,3-dioxo-2,3-dihydr..."	"O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)Nc5ccc6ncsc6c5"	0	NA	NA	1	1	"440798222"	NA
"761431"	761431	"Vemurafenib"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F"	0	"PK:YK,BRAF"	"FDA approved"	3	3	"42611257"	"1029872545"
"761526"	761526	""	"CCCCCCCCCCCCNC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@H](C)NC1=O"	0	NA	NA	3	3	"440814249"	NA
"761527"	761527	""	"CCCCCCCCCCCCNC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\OCCNC(=O)\C=C\[C@@H](NC1=O)C(C)C"	0	NA	NA	2	2	"440811530"	NA
"761545"	761545	""	"CC(C)(C)c1nn(c2NC(SCC(=O)c12)c3ccccc3Cl)c4ccccc4"	0	NA	NA	1	1	"440800428"	NA
"761549"	761549	""	"COc1cc(CN(C2OC(=O)c3ccccc23)c4ccc(C)cc4)cc(OC)c1OC"	0	NA	NA	2	2	"440800426"	NA
"761560"	761560	"n-(3-(1h-imidazol-1-yl)propyl)-4-(1-(3,5,5,8,8-pentameth..."	"Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)NCCCn4ccnc4)C(C)(C)CCC2(C)C"	0	NA	NA	2	2	"440806199"	NA
"761582"	761582	"cyclopropane vinblastine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	3	3	"440809005"	NA
"761584"	761584	""	"CC1(C)CN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S(=O)(=O)N1"	0	NA	NA	2	2	"440794557"	NA
"761586"	761586	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCN5CCCNS5(=O)=O)n4"	0	NA	NA	3	3	"440803483"	NA
"761592"	761592	""	"CN1CCCN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S1(=O)=O"	0	NA	NA	3	3	"440797812"	NA
"761618"	761618	""	"CC(C)(C)N1=[O-][Ir+3](C=O)([c-]2cc(Cl)ccc2C=1)(P(c3ccccc3)(c4ccccc4)c5ccccc5)P(c6ccccc6)(c7ccccc7)c8ccccc8.F[Sb](F)(F)(F)(F)[F-]"	0	NA	NA	1	1	"441653600"	NA
"761634"	761634	"n-(4- chlorophenyl)-5-nitro-2-furamide"	"[O-][N+](=O)c1oc(cc1)C(=O)Nc2ccc(Cl)cc2"	0	NA	NA	2	2	"440808959"	"109844920"
"761676"	761676	""	"Clc1ccccc1c2nnc3c(Cc4ccccc4)nc5ccccc5n23"	0	NA	NA	2	2	"440797959"	NA
"761691"	761691	"SCH-1473759"	"CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)c4cn[nH]c4)sn1)C(C)(C)CO"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"1094069994"
"761692"	761692	"MK-8033"	"Cn1cc(cn1)c2cnc3C=Cc4ccc(CS(=O)(=O)NCc5ccccn5)cc4C(=O)c3c2"	0	"PK:YK,MET"	"Clinical trial"	2	1	"-1"	NA
"761693"	761693	"Vertex ATR inhibitor Cpd 45"	"CC(CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3"	0	"PK:STK,ATR"	"Clinical trial"	2	2	"-1"	"1286238558"
"761736"	761736	"4-(2-(4-methyl-2-oxo-2h-chromen-7-yloxy)ethyl)-2-(4-chlo..."	"CC1=CC(=O)Oc2cc(OCCN3C(=NN(C3=O)c4ccc(Cl)cc4)C)ccc12"	0	NA	NA	1	1	"440811856"	NA
"761759"	761759	"TAK-960 analog"	"COc1cc(ccc1Nc2ncc3N(C)C(=O)C(C)(C)CN(C4CCCC4)c3n2)C(=O)N[C@@H]5CCCN(C)C5"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	NA
"761760"	761760	"BMS-536924"	"Cc1cc(cc2[nH]c(nc12)C3=C(NC[C@@H](O)c4cccc(Cl)c4)C=CNC3=O)N5CCOCC5"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	"-1"	"468740434"
"761768"	761768	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	1	1	"440794707"	NA
"761769"	761769	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	"440806166"	NA
"761814"	761814	"3-(4-(5-methoxy-1h-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,..."	"COc1ccc2[nH]c(nc2c1)c3ccc(cc3)c4noc(n4)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	"440809352"	NA
"761816"	761816	"(z)-3-((1-(3,4,5-trimethoxyphenyl)-9h-pyrido[3,4-b]indol..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	2	2	"440800764"	NA
"761817"	761817	"(z)-5-methoxy-3-((1-(3,4,5-trimethoxyphenyl)-9h-pyrido[3..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6cc(OC)c(OC)c(OC)c6)\c2c1"	0	NA	NA	1	1	"440814445"	NA
"761819"	761819	"(z)-5-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9h-pyrido[3,..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440809351"	NA
"761820"	761820	"(z)-3-((1-(4-(trifluoromethyl)phenyl)-9h-pyrido[3,4-b]in..."	"FC(F)(F)c1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440800773"	NA
"761821"	761821	""	"Fc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	2	2	"440798210"	NA
"761822"	761822	"(z)-3-((1-(4-fluorophenyl)-9h-pyrido[3,4-b]indol-3-yl)me..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6ccc(F)cc6)\c2c1"	0	NA	NA	1	1	"440805811"	NA
"761824"	761824	"(z)-3-((1-(4-methoxyphenyl)-9h-pyrido[3,4-b]indol-3-yl)m..."	"COc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440803889"	NA
"761826"	761826	"(z)-3-((1-(4-fluoro-3-methoxyphenyl)-9h-pyrido[3,4-b]ind..."	"COc1cc(ccc1F)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440805821"	NA
"761832"	761832	"(z)-3-((1-(3,5-dimethoxyphenyl)-9h-pyrido[3,4-b]indol-3-..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6cc(OC)cc(OC)c6)\c2c1"	0	NA	NA	1	1	"440809259"	NA
"761834"	761834	"(z)-5-chloro-3-((1-(3,5-dimethoxyphenyl)-9h-pyrido[3,4-b..."	"COc1cc(OC)cc(c1)c2nc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440794922"	NA
"761840"	761840	"(z)-5-methoxy-3-((1-(4-methoxyphenyl)-9h-pyrido[3,4-b]in..."	"COc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccc(OC)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440811745"	NA
"761849"	761849	"(z)-6-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9h-pyrido[3,..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	"440811733"	NA
"761879"	761879	"ITRI-260"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)C4=C5C=CC=CC=C5NC4=O"	0	"PK:YK,FLT,FLT3"	"Clinical trial"	2	2	"-1"	"1253836177"
"761906"	761906	"17e-(4-(bis(2-chloroethyl)amino)benzoyloxyimino)-5-andro..."	"CC(=O)O[C@H]1CCC2(C)C3CCC4(C)C(CC/C/4=N\OC(=O)c5ccc(cc5)N(CCCl)CCCl)C3CC=C2C1"	0	NA	NA	2	2	"440811467"	NA
"761910"	761910	"Ibrutinib"	"Nc1ncnc2c1c(nn2C3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4"	0	"PK:YK,BTK"	"FDA approved"	3	3	"-1"	"936563961"
"761931"	761931	"KHK-Indazole"	"O=C(Nc1ccccc1\C=C\c2n[nH]c3ccccc23)c4ccccc4"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	"-1"	NA
"761942"	761942	"4-(3-(benzo[d]oxazol-2-yl)-1h-indol-2-yl) phenol"	"Oc1ccc(cc1)c2[nH]c3ccccc3c2c4oc5ccccc5n4"	0	NA	NA	2	1	"440806280"	NA
"761980"	761980	""	"Nc1cc(Br)c(c(Br)c1)c2oc(CCC(=O)c3nc4ccccc4[nH]3)nn2"	0	NA	NA	1	1	"440809383"	NA
"761982"	761982	""	"CC1=CNC(=O)N(Cc2oc(CCC(=O)c3nc4ccccc4[nH]3)nn2)C1=O"	0	NA	NA	2	2	"440803993"	NA
"761997"	761997	""	"COc1cc(cc(CN2CCCCC2)c1O)c3oc4ccccc4n3"	0	NA	NA	2	2	"440814181"	NA
"762008"	762008	"copper(ii) complex with a thiosemicarbazone as a ligand"	"[Cl-].CCNC1=S[Cu+2]2([ClH-])[N+](=C(C)c3scc[n+]23)N1"	0	NA	NA	2	1	"441653706"	NA
"762009"	762009	"copper(ii) complex with quin as a ligand"	"[ClH-][Cu+2]1([ClH-])[n+]2c(C=C3C(=O)C4CC[N+]13CC4)ccc5ccccc25"	0	NA	NA	1	1	"441653719"	NA
"762073"	762073	""	"CCOc1ccc(cc1)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	2	2	"440814513"	NA
"762148"	762148	"n-(4-{2-[(1r,6r,11as,13s,14ar)-1,13-dihydroxy-4-oxo-1,6,..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3ccc(NC(=S)Nc4ccc5c(c4)C(=O)OC56c7ccc(O)cc7Oc8cc(O)ccc68)cc3)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	"440800472"	NA
"762149"	762149	"n-(4-{2-[(1r,6r,11as,13s,14ar)-1,13-dihydroxy-4-oxo-1,6,..."	"CC(=O)Nc1ccc(CC[C@H]2CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@H](O)\C=C\C(=O)O2)cc1"	0	NA	NA	2	2	"440800473"	NA
"762150"	762150	"(1r,6r,11as,13s,14ar)-1,13-dihydroxy-6-{2-[4-(trifluorom..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3ccc(cc3)C(F)(F)F)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	1	"440814255"	NA
"762151"	762151	"TAK-901"	"CCS(=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24"	0	"PK:STK,AURK"	"Clinical trial"	2	2	"-1"	"934541318"
"762152"	762152	"ONX-0914"	"COc1ccc(CC(NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)[C@@]4(C)CO4)cc1"	0	"PSM"	"Clinical trial"	2	2	"-1"	NA
"762153"	762153	"ST-3595"	"COc1ccc(cc1)c2ccc(\C=C\C(=O)NO)cc2"	0	"HDAC"	"Clinical trial"	2	2	"-1"	NA
"762154"	762154	"Des-fluoro-TAK-960"	"COc1cc(ccc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	NA
"762346"	762346	""	"Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O"	0	NA	NA	2	1	"440811717"	NA
"762367"	762367	"2-amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxy..."	"COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2"	0	NA	NA	2	2	"440794650"	NA
"762382"	762382	"CH-5132799"	"CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	NA
"762418"	762418	"TAK Plk inhibitor"	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C6CCN(CC7CC7)CC6)ncc3n8cnc(C#N)c18"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	"-1"	NA
"762419"	762419	"CT-32228"	"Cc1ccc(Cl)cc1c2nc(N)nc(Nc3ccc(Br)cc3)n2"	0	"AGPAT2|PK:YK,VEGFR"	"Clinical trial"	2	2	"-1"	"521064346"
"762445"	762445	"(z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triaz..."	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)N3CC(F)(F)C3)n2"	0	NA	NA	2	2	"440804001"	NA
"762458"	762458	""	"O=C1C(c2cccnc2)c3cccc4c3c(cn4Cc5ccccc5)c6ccccc16"	0	NA	NA	1	1	"440809071"	NA
"762463"	762463	""	"COc1c(O)c2CCN(C3Cc4ccccc4c(c1OC)c23)S(=O)(=O)c5ccc(C)cc5"	0	NA	NA	1	1	"440811543"	NA
"762464"	762464	""	"Cc1ccc(cc1)S(=O)(=O)N2CCc3ccc(O)c4c3C2Cc5ccc6OCOc6c45"	0	NA	NA	2	2	"440803664"	NA
"762465"	762465	""	"Cc1ccc(cc1)S(=O)(=O)N2CCc3ccc(O)c4c5ccc(Cl)cc5CC2c34"	0	NA	NA	2	2	"440803665"	NA
"762521"	762521	"RO-4987655"	"OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc3ccc(I)cc3F"	0	"PK:STK,MAP2K"	"Clinical trial"	2	2	"-1"	"874101005"
"762539"	762539	""	"Clc1ccc(cc1)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	"440798183"	NA
"762540"	762540	""	"Clc1ccc2c(Nc3cccc(c3)C4=NN(C=O)C(C4)c5ccccc5)ccnc2c1"	0	NA	NA	2	2	"440798181"	NA
"762541"	762541	""	"COc1ccc(cc1)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	2	2	"440794893"	NA
"762542"	762542	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	2	2	"440800658"	NA
"762545"	762545	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C(=O)C)c5ccc(Cl)cc5"	0	NA	NA	1	1	"440809246"	NA
"762555"	762555	""	"COc1ccc(cc1)C2=NN(C(C2)c3ccc(Oc4ccnc5cc(Cl)ccc45)c(OC)c3)C(=O)C"	0	NA	NA	1	1	"440803846"	NA
"762557"	762557	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C(=O)C)c5ccc(C)cc5"	0	NA	NA	1	1	"440800652"	NA
"762559"	762559	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C=O)c5ccccc5"	0	NA	NA	1	1	"440803842"	NA
"762564"	762564	""	"COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc3nc4N(C)C(=O)N(C)C(=O)c4n3C"	0	NA	NA	1	1	"440798179"	NA
"762566"	762566	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C=O)c5ccc(C)cc5"	0	NA	NA	1	1	"440803848"	NA
"762583"	762583	""	"CN(C)c1nc(c2cccs2)n3nc(cc3n1)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440803841"	NA
"762610"	762610	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)NC(=O)CCl)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	"440806268"	NA
"762611"	762611	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)NC(=O)CI)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	"440809138"	NA
"762673"	762673	"SB-1317"	"CN1C\C=C\CCOc2cccc(c2)c3ccnc(Nc4cccc(C1)c4)n3"	0	"PK:STK,CDK,ERK,FLT,JAK,FLT3"	"Clinical trial"	2	1	"-1"	"1204918728"
"762696"	762696	""	"CN1C(=O)C=C2c3ccccc3C(=O)c4c(NCCCO)ccc1c24"	0	NA	NA	1	1	"440798258"	NA
"762756"	762756	""	"Cc1nn(c2ccccc2)c3ncc4C(=O)N(Cc5ccccc5)C(=O)c4c13"	0	NA	NA	1	1	"440798170"	NA
"762763"	762763	""	"Cc1nn(c2ccc(Cl)cc2)c3nc4c5ccccc5C(=O)C(=O)c4nc13"	0	NA	NA	1	1	"440814403"	NA
"762795"	762795	""	"NCCCOc1cc2ccccc2cc1C(=O)NCCOc3cc4ccccc4cc3C(=O)Nc5ccc(Cl)cc5O"	0	NA	NA	2	1	"440803584"	NA
"762805"	762805	""	"Fc1ccc(cc1)c2nn(cc2c3oc4ccccc4n3)c5ccccc5"	0	NA	NA	1	1	"440800400"	NA
"762829"	762829	"MK-0752"	"OC(=O)CC[C@@H]1CC[C@](CC1)(c2cc(F)ccc2F)S(=O)(=O)c3ccc(Cl)cc3"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	2	1	"-1"	"471905416"
"762831"	762831	"MK-0752"	"COC(=O)CC[C@@H]1CC[C@](CC1)(c2cc(F)ccc2F)S(=O)(=O)c3ccc(Cl)cc3"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	1	1	"-1"	NA
"762832"	762832	"sri-013070"	"OC(=O)CC[C@@H]1CC[C@@](CC1)(c2cc(F)ccc2F)S(=O)(=O)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440796610"	NA
"762858"	762858	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(SCC(=O)Nc5ccc(Cl)cc5)n24)C(=O)N"	0	NA	NA	1	1	"440794775"	NA
"762864"	762864	""	"Cc1ccc(NC(=O)CSc2nnc3N(Cc4ccccc4)C(=O)c5c(C)c(sc5n23)C(=O)N)cc1"	0	NA	NA	1	1	"440811599"	NA
"762870"	762870	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(n24)S(=O)(=O)CC(=O)Nc5ccc(Cl)cc5)C(=O)N"	0	NA	NA	1	1	"440798065"	NA
"762887"	762887	"6-chloro-5-[2-(1h-imidazol-1-yl)ethyl]-1,3-dihydro-2h-in..."	"Clc1cc2NC(=O)Cc2cc1CCn3ccnc3"	0	NA	NA	1	1	"440795038"	NA
"762888"	762888	"6-chloro-5-[2-(4h-1,2,4-triazol-4-yl)ethyl]-1,3-dihydro-..."	"Clc1cc2NC(=O)Cc2cc1CCn3cncn3"	0	NA	NA	1	1	"440814572"	NA
"762889"	762889	"6-chloro-5-[2-(piperazin-1-yl)ethyl]-1,3-dihydro-2h-indo..."	"Clc1cc2NC(=O)Cc2cc1CCN3CCNCC3"	0	NA	NA	1	1	"440795037"	NA
"762901"	762901	"trans-4-{4-[3-(4-chloro-3-trifluoromethyl-phenyl)-ureido..."	"CNC(=O)c1cc(O[C@@H]2CC[C@H](CC2)NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccn1"	0	NA	NA	2	2	"440806174"	NA
"762908"	762908	"2-(4-(methylsulfonyl)phenyl)-6-p-tolyl-4,5-dihydropyrida..."	"Cc1ccc(cc1)C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	2	2	"440795017"	NA
"762911"	762911	"6-(4-ethylphenyl)-2-(4-(methylsulfonyl)phenyl)-4,5-dihyd..."	"CCc1ccc(cc1)C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	2	2	"440803979"	NA
"762914"	762914	"6-(4-hydroxy-2-methylphenyl)-2-(4-(methylsulfonyl)phenyl..."	"Cc1cc(O)ccc1C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	1	1	"440798300"	NA
"762920"	762920	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)N4N=C(NC4=C3C#N)c5oc(C)cc5)c6cccc(Cl)c6"	0	NA	NA	1	1	"440814147"	NA
"762921"	762921	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)N4N=C(NC4=C3C#N)c5ccc(C)cc5)c6cccc(Cl)c6"	0	NA	NA	1	1	"440794634"	NA
"762934"	762934	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)NC(=C3)c4ccccc4)c5cccc(Cl)c5"	0	NA	NA	1	1	"440803556"	NA
"762948"	762948	"4-methyl-n-(3-methyl-5-(4-methyl-1h-imidazol-1-yl)phenyl..."	"Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)c4cccnc4)c2)cc(c1)n5cnc(C)c5"	0	NA	NA	2	2	"440800377"	NA
"762986"	762986	""	"COc1cc2N=C(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)N(Cc4ccccc4)C(=O)c2cc1OC"	0	NA	NA	1	1	"440797796"	NA
"762988"	762988	""	"COc1cc(NC(=O)CSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	"440803458"	NA
"763059"	763059	"paracymene-ruthenium(ii)-[n-(3-(1h-imidazol-1-yl)propyl)..."	"CC(C)c1ccc(C)cc1[Ru+2]([ClH-])([ClH-])[n+]2ccn(CCCNC(=O)c3ccc(cc3)C(=C)c4cc5c(cc4C)C(C)(C)CCC5(C)C)c2"	0	NA	NA	2	2	"441653662"	NA
"763118"	763118	""	"CN(Cc1cccc(C)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814162"	NA
"763120"	763120	""	"CCN(Cc1cccc(OC)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797913"	NA
"763121"	763121	""	"COc1cccc(CN(C)c2ccc(CO)c(Cl)c2)c1"	0	NA	NA	2	2	"440800375"	NA
"763122"	763122	""	"COc1ccc(CN(C)c2ccc(CO)c(Cl)c2)cc1"	0	NA	NA	2	2	"440800374"	NA
"763123"	763123	""	"CCN(Cc1ccc(OC)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440811461"	NA
"763124"	763124	""	"CN(Cc1ccc(C)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814166"	NA
"763125"	763125	""	"CCN(Cc1ccc(C)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814165"	NA
"763126"	763126	""	"CN(Cc1ccc(Cl)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800369"	NA
"763127"	763127	""	"CCN(Cc1ccc(Cl)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814164"	NA
"763128"	763128	""	"CN(Cc1cccc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440803579"	NA
"763129"	763129	""	"CCN(Cc1cccc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806089"	NA
"763130"	763130	""	"CN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797910"	NA
"763131"	763131	"(2-chloro-4-((4-fluorobenzyl)(ethyl)amino)phenyl)methanol"	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800370"	NA
"763132"	763132	""	"CN(Cc1cccc(Cl)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800367"	NA
"763133"	763133	""	"CN(Cc1ccccc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814163"	NA
"763134"	763134	""	"CCN(Cc1ccccc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797909"	NA
"763135"	763135	""	"CCN(Cc1cccc(Cl)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797911"	NA
"763136"	763136	""	"CCN(Cc1cccc(C)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800368"	NA
"763186"	763186	""	"COc1ccc(cc1)c2onc(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440809323"	NA
"763187"	763187	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	"440811803"	NA
"763188"	763188	""	"COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3cc(O)ccc23)C#N"	0	NA	NA	2	2	"440800736"	NA
"763193"	763193	""	"COc1cccc(c1)C2C(=C(N)Oc3cc(N)ccc23)C#N"	0	NA	NA	2	2	"440798241"	NA
"763196"	763196	""	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440809309"	NA
"763198"	763198	""	"COc1ccc(cc1)c2[nH]nnc2c3cc(OC)c4OCOc4c3OC"	0	NA	NA	2	2	"440811778"	NA
"763231"	763231	""	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4cccc(OCc5ccccc5)c4"	0	NA	NA	2	2	"440794564"	NA
"763232"	763232	""	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4cccc(OCc5ccc(F)cc5)c4"	0	NA	NA	2	2	"440806016"	NA
"763234"	763234	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	"440806000"	NA
"763235"	763235	""	"COc1cc2cc(Oc3ccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	"440808852"	NA
"763236"	763236	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	"440808864"	NA
"763238"	763238	""	"COc1cc2cc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	"440794558"	NA
"763241"	763241	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cccc5OCCOc45)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	"440803480"	NA
"763266"	763266	""	"COc1cc2c(Nc3ccc(cc3)c4ccc(N)cc4)ncnc2c(OC)c1OC"	0	NA	NA	2	2	"440809000"	NA
"763271"	763271	"(4e,4ae)-4-(4-chlorobenzylidene)-11-(4-chlorophenyl)-2,3..."	"Clc1ccc(\C=C\2/CCCC3C(Nc4ccccc4N=C23)c5ccc(Cl)cc5)cc1"	0	NA	NA	2	1	"440794520"	NA
"763273"	763273	"(4e,4ae)-4-(3,4,5-trimethoxybenzylidene)-11-(3,4,5-trime..."	"COc1cc(\C=C\2/CCCC3C(Nc4ccccc4N=C23)c5cc(OC)c(OC)c(OC)c5)cc(OC)c1OC"	0	NA	NA	1	1	"440800244"	NA
"763275"	763275	"(e)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7..."	"NC1=NC2=C(CCC/C/2=C\c3ccc(Cl)cc3)C(N1)c4ccc(Cl)cc4"	0	NA	NA	2	2	"440798328"	NA
"763277"	763277	"(e)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C(N)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	2	2	"440809396"	NA
"763278"	763278	"(e)-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyp..."	"COc1cc(\C=C\2/CCCC3=C2N=C(N)NC3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	"440800233"	NA
"763371"	763371	"Ruxolitinib"	"N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34"	0	"PK:YK,JAK,JAK1,JAK2"	"FDA approved"	2	1	"-1"	"941678495"
"763372"	763372	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(2-chlorophenyl)-1h..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccccc4Cl)ccc1O"	0	NA	NA	2	1	"440806255"	NA
"763373"	763373	"3,5-bis(4-hydroxy-3-methoxystyryl)-n-(4-methylphenyl)-1h..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(C)cc4)ccc1O"	0	NA	NA	2	1	"440814308"	NA
"763444"	763444	"PF-477736"	"Cn1cc(cn1)c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc5C(=O)NN=Cc2c35"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	2	2	"-1"	NA
"763494"	763494	"(1r,2e,6r,10e,11as,13s,14ar)-1,13-dihydroxy-6-(trifluoro..."	"O[C@H]1C[C@H]2\C=C\CCC[C@@H](OC(=O)\C=C\[C@@H](O)[C@@H]2C1)C(F)(F)F"	0	NA	NA	2	2	"440806183"	NA
"763504"	763504	""	"OB(O)c1cccc(\C=C\C(=O)c2cccc(c2)B(O)O)c1"	0	NA	NA	1	1	"440806091"	NA
"763525"	763525	"Pluripotin"	"CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C"	0	"GTPase|RAS|RASA1|PK:STK,MAP3K"	"Clinical trial"	3	3	"-1"	"839707378"
"763526"	763526	"Crenolanib"	"CC1(COc2ccc3c(c2)ncn3c4ccc5cccc(N6CCC(N)CC6)c5n4)COC1"	0	"PK:YK,PDGFR,KIT,VEGFR,TEK,FLT3"	"Clinical trial"	2	2	"-1"	"670220889"
"763527"	763527	"JZL-195"	"[O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1"	0	"MGLL"	"Clinical trial"	2	1	"-1"	"1210004128"
"763541"	763541	"(e)-ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trime..."	"CCOC(=O)C1=CSC2=NC3=C(CCC/C/3=C\c4cc(OC)c(OC)c(OC)c4)C(N12)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	"440814574"	NA
"763545"	763545	"(e)-ethyl 9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-m..."	"CCOC(=O)C1=C(C)N2C(C3=C(N=C2S1)\C(=C\c4ccc(Cl)cc4)\CCC3)c5ccc(Cl)cc5"	0	NA	NA	1	1	"440797754"	NA
"763564"	763564	"EMD-534085"	"CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4"	0	"CDH16|KIF11|Kinesin|PK:YK"	"Clinical trial"	2	2	"-1"	NA
"763579"	763579	"AT-13387"	"CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"912999496"
"763582"	763582	""	"COc1ccc(cc1)c2nn(cc2C3CC(=NN3C(=O)C)c4ccccc4)c5cccc(Cl)c5"	0	NA	NA	1	1	"440814145"	NA
"763587"	763587	""	"COc1ccc(cc1)c2nn(cc2\C=C/3\C(=NN(C3=N)c4ccccc4)N)c5cccc(Cl)c5"	0	NA	NA	2	2	"440794632"	NA
"763595"	763595	"2-(1-(3-fluorophenylsulfonyl)-1h-indol-3-yl)-2-oxo-n-(py..."	"Fc1cccc(c1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	"440811819"	NA
"763617"	763617	"(z)-3-((2-(4-fluorophenyl)-3h-benzo[d]imidazol-5-yl)meth..."	"COc1ccc2NC(=O)\C(=C/c3ccc4nc([nH]c4c3)c5ccc(F)cc5)\c2c1"	0	NA	NA	1	1	"440794913"	NA
"763621"	763621	"(z)-3-((2-(4-(trifluoromethyl)phenyl)-3h-benzo[d]imidazo..."	"FC(F)(F)c1ccc(cc1)c2nc3ccc(\C=C/4\C(=O)Nc5ccccc45)cc3[nH]2"	0	NA	NA	1	1	"440811741"	NA
"763633"	763633	"(z)-5-chloro-3-((2-(3,5-difluorophenyl)-3h-benzo[d]imida..."	"Fc1cc(F)cc(c1)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	1	1	"440803907"	NA
"763635"	763635	"n-(benzo[d]thiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)Nc5nc6ccccc6s5"	0	NA	NA	1	1	"440803879"	NA
"763639"	763639	"2-(3-chloro-4-fluorophenyl)-5-(3-(3,4,5-trimethoxyphenyl..."	"COc1cc(cc(OC)c1OC)c2nc(c3oc(nn3)c4ccc(F)c(Cl)c4)c5ccccn25"	0	NA	NA	1	1	"440811767"	NA
"763646"	763646	"(e)-2-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-5-(3-methyl-1h..."	"Cc1cc([nH]n1)c2oc(\C=C\c3ccc4OCOc4c3)nn2"	0	NA	NA	1	1	"440800715"	NA
"763663"	763663	"(e)-5-methoxy-3-((5-methoxy-1h-indol-3-yl)methylene)indo..."	"COc1ccc2NC(=O)\C(=C\c3c[nH]c4ccc(OC)cc34)\c2c1"	0	NA	NA	1	1	"440795005"	NA
"763669"	763669	"n-(benzo[d]thiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyra..."	"Fc1ccc(cc1)c2cc(nc3cc(nn23)c4ccccc4)C(=O)Nc5nc6ccccc6s5"	0	NA	NA	1	1	"440798214"	NA
"763684"	763684	"(z)-5-chloro-3-((2-(4-methoxyphenyl)-3h-benzo[d]imidazol..."	"COc1ccc(cc1)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	1	1	"440811729"	NA
"763692"	763692	"(z)-5-chloro-3-((2-(3,4,5-trimethoxyphenyl)-3h-benzo[d]i..."	"COc1cc(cc(OC)c1OC)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	2	2	"440805806"	NA
"763703"	763703	"(z)-6-chloro-3-((2-(4-methoxyphenyl)-3h-benzo[d]imidazol..."	"COc1ccc(cc1)c2nc3ccc(\C=C\4/C(=O)Nc5cc(Cl)ccc45)cc3[nH]2"	0	NA	NA	1	1	"440798206"	NA
"763728"	763728	""	"Cc1nc2cc(O)c(O)cc2cc1Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3"	0	NA	NA	1	1	"440811358"	NA
"763729"	763729	""	"CCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	"440803760"	NA
"763730"	763730	""	"CCCCCCCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	"440811639"	NA
"763731"	763731	""	"CCCCCCCCCCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	"440814336"	NA
"763743"	763743	""	"CC(C)CCNC(=O)[C@@H](CC(C)C)N1C=CC=C(NC(=O)OCC=C)C1=O"	0	NA	NA	1	1	"440806200"	NA
"763832"	763832	"LOR-253"	"Cc1[nH]c2cc(F)ccc2c1c3nc4c5cccnc5c6ncccc6c4[nH]3"	0	"KLF4|MYC|MTF1"	"Clinical trial"	2	2	"-1"	NA
"763841"	763841	""	"COc1ccc(cc1OC)S(=O)(=O)N(Cc2ccc3OC(C)(C)C=Cc3n2)C4CCC4"	0	NA	NA	2	1	"440800581"	"1342890838"
"763847"	763847	"3-(3-hydroxy-4-methoxyphenyl)-8h-thieno[2,3-b]pyrrolizin..."	"COc1ccc(cc1O)c2csc3C(=O)c4cccn4c23"	0	NA	NA	2	2	"440809052"	NA
"763856"	763856	""	"COc1cc(cc(Br)c1OC)C2CC(=O)Nc3c2ccc4ccccc34"	0	NA	NA	2	2	"440803953"	NA
"763857"	763857	""	"COc1cc(cc(Br)c1OC)C2CC(=O)Nc3c2cc(Br)c4ccccc34"	0	NA	NA	2	2	"440794976"	NA
"763863"	763863	""	"COc1cccc(C2CC(=O)Nc3cc4CCCc4cc23)c1OC"	0	NA	NA	2	1	"440800758"	NA
"763930"	763930	"AS-703569"	"CN1CCN(CC1)c2ccc(Nc3ncc(F)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)cc2C"	0	"PK:AURK"	"Clinical trial"	2	2	"-1"	NA
"763931"	763931	"PF-04217903"	"OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2"	0	"PK:MET"	"Clinical trial"	2	1	"-1"	"956905274"
"764014"	764014	""	"NC(=N)NC(=N)NCCCc1occc1"	0	NA	NA	1	1	"440808971"	NA
"764022"	764022	"(e)-2-methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-t..."	"COc1cc(\C=C\2/CCCCC3=C2N=C4SC(=CN4C3c5cc(OC)c(OC)c(OC)c5)C)cc(OC)c1OC"	0	NA	NA	1	1	"440814022"	NA
"764032"	764032	"(z/e)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4h-1,2,4-tria..."	"COc1ccc(cc1OC)c2nnc(SCC(=O)Nc3ccc(cc3)\C(=N/O)\C)n2c4ccccc4"	0	NA	NA	1	1	"440794624"	NA
"764036"	764036	"Dinaciclib"	"CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCC[C@H]4CCO"	0	"PK:STK,CDK,CDK1,CDK2,CDK5,CDK9"	"Clinical trial"	2	1	"-1"	"779353014"
"764037"	764037	"BP-1-102"	"CN(CC(=O)N(Cc1ccc(cc1)C2CCCCC2)c3ccc(C(=O)O)c(O)c3)S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F"	0	"STAT|IL6|STAT3"	"Clinical trial"	2	1	"-1"	NA
"764039"	764039	"AZD-5363"	"NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCO)c4ccc(Cl)cc4"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	"-1"	"1143532391"
"764040"	764040	"Alectinib"	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	"PK:YK,ALK"	"FDA approved"	2	2	"-1"	"1256580467"
"764041"	764041	"TAE-684"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:YK,ALK"	"Clinical trial"	2	2	"-1"	"761439423"
"764042"	764042	"ARRY-162"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	2	2	"-1"	"606143899"
"764043"	764043	"(+)-JQ1"	"Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1268524704"
"764069"	764069	"phidianidine a"	"NC(=N)NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1"	0	NA	NA	1	1	"440803718"	"1301638414"
"764072"	764072	"phidianidine a amine precursor"	"NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1"	0	NA	NA	1	1	"440806267"	NA
"764090"	764090	"BMS-777607"	"CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)C(=O)N(C=C1)c4ccc(F)cc4"	0	"PK:MET,RON"	"Clinical trial"	2	2	"-1"	"1196681443"
"764091"	764091	"Apitolisib"	"C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1032754930"
"764092"	764092	"GSK-2126458"	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1086062669"
"764110"	764110	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCC(=O)Oc3ccc4C5CC[C@@]6(C)[C@@H](CCC6=O)C5CCc4c3)c7ccc[nH]7"	0	NA	NA	2	2	"440809167"	NA
"764134"	764134	"Dabrafenib"	"CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4"	0	"PK:BRAF"	"FDA approved"	2	2	"-1"	"1195768069"
"764135"	764135	"BMS-599626"	"Cc1c(NC(=O)OC[C@@H]2COCCN2)cn3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c13"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	"-1"	"714971092"
"764136"	764136	"Abexinostat"	"CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc3ccc(cc3)C(=O)NO"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"783355602"
"764154"	764154	""	"CC(C)(C)c1n[nH]c2Nc3ccc(cc3NC(C4=Cc5ccccc5NC4=O)c12)C(=O)OCc6ccccc6"	0	NA	NA	1	1	"440800425"	NA
"764156"	764156	""	"CC(C)(C)c1n[nH]c2Nc3ccc(cc3NC(C4=Cc5ccccc5NC4=O)c12)C(=O)Nc6ccc(Cl)cc6"	0	NA	NA	2	2	"440794689"	NA
"764162"	764162	""	"CC(C)(C)c1cc(n[nH]1)n2c(nc3cc(ccc23)C(=O)Nc4ccc(Cl)cc4)c5ccc(Cl)cc5"	0	NA	NA	1	1	"440797954"	NA
"764230"	764230	"3-(2,4-dimethoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenz..."	"COc1ccc(N2C(=Nc3ccc(C)cc3C2=O)SCc4cc(OC)c(OC)c(OC)c4)c(OC)c1"	0	NA	NA	1	1	"440797763"	NA
"764232"	764232	"6-chloro-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylth..."	"COc1ccccc1N2C(=O)c3cc(Cl)ccc3N=C2SCc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440797764"	NA
"764238"	764238	"6-Bromoindirubin-3'-Acetoxime"	"CC(=O)O\N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14"	0	"PK:GSK3A"	"Clinical trial"	2	2	"-1"	"667463856"
"764239"	764239	"AZD-4547"	"COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N4C[C@@H](C)N[C@@H](C)C4)n[nH]2)cc(OC)c1"	0	"PK:YK,FGFR,FGFR1,FGFR2,FGFR3"	"Clinical trial"	2	2	"-1"	"1035270393"
"764265"	764265	""	"CC(C)(C)[Si](C)(C)OC1[C@@H](COC(=O)NC(=O)CCl)O[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	"440811614"	NA
"764266"	764266	""	"CC(C)(C)[Si](C)(C)OC1[C@@H](CNC(=O)NC(=O)CCl)O[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	"440806271"	NA
"764270"	764270	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)CF)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	1	1	"440809140"	NA
"764276"	764276	"t-dcyd"	"NC1=NC(=O)N(C=C1)[C@H]2C[C@@H](O)[C@@H](CO)S2"	0	""	"Clinical trial"	2	1	"-1"	"134111301"
"764308"	764308	"2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno..."	"O=C1NC(=Nc2sc3CCCCCCc3c12)c4ccccn4"	0	NA	NA	1	1	"440803738"	NA
"764310"	764310	"4-hydrazino-2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocyclooct..."	"NNc1nc(nc2sc3CCCCCCc3c12)c4ccccn4"	0	NA	NA	1	1	"440803737"	NA
"764312"	764312	"4-(4-methylpiperazin-1-yl)-2-(4-pyridyl)-5,6,7,8,9,10-he..."	"CN1CCN(CC1)c2nc(nc3sc4CCCCCCc4c23)c5ccncc5"	0	NA	NA	1	1	"440798085"	NA
"764313"	764313	"4-(morpholin-4-yl)-2-(2-pyridyl)-5,6,7,8,9,10-hexahydroc..."	"C1CCCc2c(CC1)sc3nc(nc(N4CCOCC4)c23)c5ccccn5"	0	NA	NA	1	1	"440803735"	NA
"764316"	764316	"2-(4-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno..."	"O=C1NC(=Nc2sc3CCCCCCc3c12)c4ccncc4"	0	NA	NA	1	1	"440798086"	NA
"764320"	764320	"4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-pyridyl)-5,6,..."	"COc1ccc(cc1)N2CCN(CC2)c3nc(nc4sc5CCCCCCc5c34)c6ccccn6"	0	NA	NA	1	1	"440814319"	NA
"764334"	764334	"delanzomib"	"CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)c2ccccc2)[C@@H](C)O)B(O)O"	0	"PSM"	"Clinical trial"	4	4	"-1"	"847499278"
"764405"	764405	""	"COc1c2C(=O)C=C(Oc2c(\C=C\C=O)c3occc13)c4ccccc4"	0	NA	NA	1	1	"440798078"	NA
"764407"	764407	""	"COc1ccc(cc1)C2=CC(=O)c3c(OC)c4ccoc4c(\C=C\C=O)c3O2"	0	NA	NA	1	1	"440803721"	NA
"764457"	764457	""	"Clc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccsc4"	0	NA	NA	1	1	"440814507"	NA
"764458"	764458	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(OC)c4"	0	NA	NA	1	1	"440803940"	NA
"764459"	764459	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccsc4"	0	NA	NA	2	2	"440805883"	NA
"764463"	764463	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc5OCCOc5c4"	0	NA	NA	2	2	"440814504"	NA
"764481"	764481	"Brivanib"	"C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N"	0	"PK:YK,FGFR,VEGFR,FGFR1,FGFR2,FGFR3,KDR"	"Clinical trial"	2	2	"-1"	"649735637"
"764487"	764487	"NVP-BGJ398"	"CCN1CCN(CC1)c2ccc(Nc3cc(ncn3)N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)cc2"	0	"PK:FGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"FDA approved"	2	2	"-1"	"872511347"
"764490"	764490	"6-methyl-3-phenyl-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(C)cc3C(=O)N2c4ccccc4)cc(OC)c1OC"	0	NA	NA	2	2	"440811332"	NA
"764492"	764492	"3-benzyl-6-chloro-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(Cl)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	"440808826"	NA
"764493"	764493	"3-benzyl-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	"440811330"	NA
"764494"	764494	"3-benzyl-6,7-dimethoxy-2-(3,4,5-trimethoxybenzylthio)qui..."	"COc1cc2N=C(SCc3cc(OC)c(OC)c(OC)c3)N(Cc4ccccc4)C(=O)c2cc1OC"	0	NA	NA	2	2	"440794525"	NA
"764496"	764496	"3-(4-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylth..."	"COc1ccc(cc1)N2C(=O)c3cc(C)ccc3N=C2SCc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440811328"	NA
"764515"	764515	"PP-242"	"CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1092351671"
"764516"	764516	"ZSTK-474"	"FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"475110964"
"764517"	764517	"UNC-0638"	"COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5"	0	"EHMT2|EHMT1/2"	"Clinical trial"	2	1	"-1"	"1255580767"
"764530"	764530	""	"C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c4ccc(Br)cc4"	0	NA	NA	1	1	"440798027"	NA
"764567"	764567	"3-(5,6-dimethyl-1h-benzo[d]imidazol-2-yl)-1-(4-methoxyph..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6cc(C)c(C)cc6[nH]5"	0	NA	NA	1	1	"440805824"	NA
"764568"	764568	"1-(4-methoxyphenyl)-3-(6-methyl-1h-benzo[d]imidazol-2-yl..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccc(C)cc6[nH]5"	0	NA	NA	1	1	"440794920"	NA
"764580"	764580	"MK-2461"	"CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3C=Cc4ncc(cc4C(=O)c3c2)c5cnn(C)c5"	0	"PK:MET,FGFR"	"Clinical trial"	2	2	"-1"	"917879391"
"764581"	764581	"ARRY-380"	"Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc5ccn6ncnc6c5"	0	"PK:ERBB2"	"FDA approved"	2	2	"-1"	"937263439"
"764582"	764582	"10058-F4"	"CCc1ccc(\C=C/2\SC(=S)NC2=O)cc1"	0	"MYC"	"Clinical trial"	2	1	"-1"	"403811552"
"764608"	764608	"BAL-101553"	"NCCCC[C@H](N)C(=O)Nc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)c4nonc4NCCC#N"	0	"Tu-frag"	"Clinical trial"	2	2	"-1"	"1263384435"
"764658"	764658	"INK-128"	"CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14"	0	"PK:MTOR"	"Clinical trial"	2	1	"-1"	NA
"764659"	764659	"SCH-900776"	"Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)C4CCCNC4"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	2	2	"-1"	"891494636"
"764755"	764755	"Cerulenin"	"C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(=O)N"	0	"FAS|FASN|HMGCS1/2"	"Clinical trial"	2	1	"-1"	"17397896"
"764757"	764757	"SM-406"	"CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C"	0	"IAP"	"Clinical trial"	2	2	"-1"	"1071992998"
"764763"	764763	""	"COc1cc([nH-]2c1C=C3C(=C(C(=O)OCc4ccccc4)C(=[N+]3[B+3]2([F-])[F-])C)C)c5ccc[nH]5"	0	NA	NA	2	2	"441653669"	NA
"764764"	764764	"ONX-0801"	"OCC1=Nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)c3cc2C(=O)N1"	0	"TYMS"	"Clinical trial"	2	2	"-1"	"501332690"
"764765"	764765	"ARQ-680"	"Cn1ccc(n1)S(=O)(=O)N2CCC[C@@H](C2)Nc3nccc(n3)c4c(nc5occn45)c6cccc(O)c6"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	NA
"764770"	764770	"n4-(3-allyl-2-methyl-3h-benzoimidazol-5-yl)- n2-(4-fluor..."	"Cc1nc2ccc(Nc3nc(Nc4ccc(F)cc4)nc5ccccc35)cc2n1CC=C"	0	NA	NA	1	1	"440814201"	NA
"764820"	764820	"Gandotinib"	"Cc1cc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)[nH]n1"	0	"PK:JAK,JAK2,JAK3"	"Clinical trial"	2	2	"-1"	NA
"764821"	764821	"Alectinib"	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	"PK:YK,ALK"	"FDA approved"	2	2	"-1"	"1256589748"
"764823"	764823	"Varlitinib"	"C[C@@H]1COC(=N1)Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	"-1"	"845272211"
"764825"	764825	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(C)c2"	0	NA	NA	2	2	"440797898"	NA
"764826"	764826	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(F)c2"	0	NA	NA	2	2	"440800360"	NA
"764827"	764827	""	"CCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800359"	NA
"764828"	764828	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(OC)c2"	0	NA	NA	2	2	"440806076"	NA
"764869"	764869	""	"Cc1nc2sccn2c1c3csc(Nc4ccccc4Cl)n3"	0	NA	NA	1	1	"440811807"	NA
"764879"	764879	""	"COc1cc(\C=C\C2=NC(=O)NC(=C2)C(F)(F)F)ccc1OCc3ccccc3F"	0	NA	NA	1	1	"440794977"	NA
"764901"	764901	"1-(4-chlorobenzyl)-2,5-dimethyl-3-phenyl-1h-pyrrole"	"Cc1cc(c(C)n1Cc2ccc(Cl)cc2)c3ccccc3"	0	NA	NA	1	1	"440814252"	NA
"764902"	764902	"1-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-1h-pyrrole"	"COc1ccc(cc1)n2c(C)cc(c2C)c3ccccc3"	0	NA	NA	1	1	"440806179"	NA
"764903"	764903	"1-cyclopropyl-6-fluoro-4-oxo-7-(4-{[4-(3-phenyl-acryloyl..."	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC(=O)Nc5ccc(cc5)C(=O)\C=C\c6ccccc6)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	"440800346"	NA
"764906"	764906	"1-cyclopropyl-6-fluoro-4-oxo-7-[4-({4-[3-(3,4,5-trimetho..."	"COc1cc(\C=C\C(=O)c2ccc(NC(=O)CN3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)cc2)cc(OC)c1OC"	0	NA	NA	2	2	"440814142"	NA
"764928"	764928	"6-methoxy-benzothiazol-2-yl-carbamic acid ethyl ester"	"CCOC(=O)Nc1nc2ccc(OC)cc2s1"	0	NA	NA	1	1	"440798295"	NA
"764933"	764933	"5-propoxy-benzothiazol-2-yl-carbamic acid methyl ester"	"CCCOc1ccc2sc(NC(=O)OC)nc2c1"	0	NA	NA	2	2	"440809361"	NA
"764934"	764934	"6-ethoxy-benzothiazol-2-yl-carbamic acid ethyl ester"	"CCOC(=O)Nc1nc2cc(OCC)ccc2s1"	0	NA	NA	2	2	"440805913"	NA
"764935"	764935	"1h-benzoimidazol-2-yl-carbamic acid"	"CCOC(=O)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	"440800781"	NA
"765320"	765320	""	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCN(CC2)c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5"	0	NA	NA	1	1	"440814047"	NA
"765339"	765339	"8-azainosine"	"OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2nnc3C(=O)NC=Nc23"	0	NA	NA	1	1	"440811455"	NA
"765369"	765369	"4-(3-{1-[2-(dimethylamino)ethyl]-1h-pyrazol-3-yl}phenyl)..."	"CN(C)CCn1ccc(n1)c2cccc(c2)c3nc(nc(C)c3C)N(C)C"	0	NA	NA	1	1	"440803650"	NA
"765395"	765395	"MPC-3100"	"C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc5c(N)ncnc25)CC1"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"958025666"
"765396"	765396	"BMN-673"	"Cn1ncnc1C2C(Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5"	0	"PARP1|PARP2"	"FDA approved"	2	2	"-1"	"1207454565"
"765405"	765405	""	"CN1C(=O)[C@H]2c3c1cccc3[C@@]4([N+]#[C-])C(=O)[C@H](CCC4(C)C)C2(C)C"	0	NA	NA	1	1	"440803651"	NA
"765406"	765406	""	"CC[C@H](C)[C@H]1NC(=O)[C@@H](N[C@](C)(O)[C@@H](N)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	NA	NA	2	2	"440809114"	NA
"765420"	765420	"ml311"	"CCN1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)c3ccc4cccnc4c3O"	0	NA	NA	1	1	"440809009"	NA
"765428"	765428	"(e)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C(C)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	1	1	"440798327"	NA
"765429"	765429	"(e)-2-methyl-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-tr..."	"COc1cc(\C=C\2/CCCC3=C2N=C(C)NC3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	"440811333"	NA
"765435"	765435	"Ganetespib"	"CC(C)c1cc(C2=NNC(=O)N2c3ccc4c(ccn4C)c3)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"888216259"
"765436"	765436	"YK-4-279"	"COc1ccc(cc1)C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c23"	0	"ERG|ETV"	"Clinical trial"	2	2	"-1"	"1037184443"
"765608"	765608	"(e)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin..."	"Oc1ccccc1\C=N\NC2=NN=CC(=O)N2"	0	NA	NA	2	2	"440814156"	NA
"765609"	765609	"(3e,5e)-1-methyl-3,5-bis(3,4,5-trimethoxybenzylidene)pip..."	"COc1cc(\C=C\2/CN(C)C\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)cc(OC)c1OC"	0	NA	NA	2	1	"440803571"	NA
"765610"	765610	""	"CCN(Cc1ccc(Cl)s1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440794640"	NA
"765611"	765611	""	"CCN(Cc1ccc(F)cc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806080"	NA
"765612"	765612	""	"CCN(Cc1ccc(F)c(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440803566"	NA
"765613"	765613	""	"CCN(Cc1ccccn1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800362"	NA
"765614"	765614	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(c2)C(F)(F)F"	0	NA	NA	1	1	"440800363"	NA
"765615"	765615	""	"CCN(Cc1cccnc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806077"	NA
"765616"	765616	""	"CCN(Cc1ccncc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440794643"	NA
"765617"	765617	""	"CCCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806079"	NA
"765618"	765618	""	"OCc1ccc(cc1Cl)N(CC2CC2)Cc3ccc(F)cc3"	0	NA	NA	2	2	"440806078"	NA
"765619"	765619	""	"COCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440800361"	NA
"765662"	765662	""	"CCN(Cc1cccc(F)c1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440803565"	NA
"765663"	765663	""	"CCN(Cc1cc(F)ccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440794639"	NA
"765664"	765664	""	"CCN(CC)CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797899"	NA
"765665"	765665	""	"OCc1ccc(cc1Cl)N(CCN2CCCC2)Cc3ccc(F)cc3"	0	NA	NA	1	1	"440811452"	NA
"765666"	765666	""	"CCN(Cc1c(F)cccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440808955"	NA
"765667"	765667	""	"CCN(Cc1cc(F)cc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440814153"	NA
"765668"	765668	""	"OCc1ccc(cc1Cl)N(CC2CCC2)Cc3ccc(F)cc3"	0	NA	NA	2	2	"440808954"	NA
"765669"	765669	""	"OCc1ccc(cc1Cl)N(Cc2ccc(F)cc2)Cc3ccc(F)cc3"	0	NA	NA	1	1	"440811451"	NA
"765670"	765670	""	"OCc1ccc(cc1Cl)N(Cc2ccc(F)cc2)C3CCC3"	0	NA	NA	2	2	"440794644"	NA
"765671"	765671	""	"CC(C)N(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440808953"	NA
"765672"	765672	"S-49076"	"O=C1OCCN1Cc2ccc3NC(=O)\C(=C/c4cc(CN5CCOCC5)c[nH]4)\c3c2"	0	"PK:MET,AXL,FGFR,MERTK"	"Clinical trial"	2	2	"-1"	"1266319576"
"765677"	765677	""	"COc1cc(cc(CN2CCCCC2)c1O)c3sc4ccccc4[n+]3[Ni+2]([ClH-])([ClH-])[n+]5c(sc6ccccc56)c7cc(CN8CCCCC8)c(O)c(OC)c7"	0	NA	NA	1	1	"441653731"	NA
"765694"	765694	"Bosutinib"	"COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl"	0	"STAT|BCR-ABL|STAT5A/B|PK:YK,LYN,SRC,HCK"	"FDA approved"	2	2	"-1"	"380843754"
"765695"	765695	"PD 184352"	"Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F"	0	"PK:MAP2K"	"Clinical trial"	2	2	"-1"	"212631793"
"765699"	765699	""	"Nc1nonc1c2nc3ccccc3n2Cc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	"440794970"	NA
"765700"	765700	""	"Nc1nonc1c2nc3ccccc3n2CC(=O)Nc4ccccc4Cl"	0	NA	NA	2	2	"440814499"	NA
"765712"	765712	""	"Clc1cccc(Cc2cn3cc(nc3s2)c4ccccc4)c1Cl"	0	NA	NA	1	1	"440794973"	NA
"765715"	765715	""	"Clc1cccc(Cc2cn3cc(nc3s2)c4ccccc4)c1"	0	NA	NA	1	1	"440805855"	NA
"765718"	765718	""	"Cc1nn(c(N)c1c2ccc(Cl)cc2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	"440805866"	NA
"765722"	765722	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccccc4F"	0	NA	NA	2	2	"440803916"	NA
"765733"	765733	""	"CN1CCN(CCn2c(nc3ccccc23)C(=O)C)CC1"	0	NA	NA	2	2	"440803988"	NA
"765735"	765735	""	"Nc1nc(cc(n1)c2ccc(Cl)cc2Cl)c3ccccc3Cl"	0	NA	NA	1	1	"440809369"	NA
"765762"	765762	"1,4,5,5a,6,7,10,11,11a,13-decahydro-3,5a,6,9,10,13-hexam..."	"CN1c2c(c(C)nn2c3ccccc3)C4(C)[C@H]5CC6(CC1(C)C[C@H]46)N(C)c7c(C5=C)c(C)nn7c8ccccc8"	0	NA	NA	1	1	"440809099"	NA
"765764"	765764	""	"CN1c2c(c(C)nn2c3ccc(cc3)C#CCOC4OC(CO)C(O)C(O)C4O)C5(C)[C@@H]6CC7(CC1(C)C[C@H]57)N(C)c8c(C6=C)c(C)nn8c9ccc(cc9)C#CCOC%10OC(CO)C(O)C(O)C%10O"	0	NA	NA	1	1	"440806210"	NA
"765770"	765770	"(5s,6ar,7s,12s,13s,13as)-3,9-bis(4-methoxyphenyl)-1,4,5,..."	"COc1ccc(cc1)n2nc(C)c3[C@@H](C)[C@H]4CC5(CC6(C)C[C@@H]5C4(C)c7c(C)nn(c8ccc(OC)cc8)c7N6C)N(C)c23"	0	NA	NA	1	1	"440800505"	NA
"765771"	765771	"n-(4-benzylphenyl)-3-(3,3-dimethyltriaz-1-en-1-yl)-1h-in..."	"CN(C)N=Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccccc14"	0	NA	NA	2	2	"440814280"	NA
"765773"	765773	"3,4-di-p-tolylisoxazolo[3,4-d]pyridazin-7(6h)-one"	"Cc1ccc(cc1)C2=NNC(=O)c3noc(c4ccc(C)cc4)c23"	0	NA	NA	1	1	"440814279"	NA
"765775"	765775	"Gemcitabine elaidate"	"CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(F)(F)[C@@H]1O"	0	"Ds"	"Clinical trial"	2	2	"-1"	"210829304"
"765776"	765776	"AZD-3514"	"CC(=O)N1CCN(CCOc2ccc(cc2)C3CCN(CC3)C4=Nn5c(CC4)nnc5C(F)(F)F)CC1"	0	"AR"	"Clinical trial"	2	2	"-1"	"1240299335"
"765797"	765797	"3-(2-phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl)-1-(3..."	"COc1cc(cc(OC)c1OC)c2cc(cc(n2)c3ccccc3)c4cc5c6ccccc6[nH]c5c(n4)c7cc(OC)c(OC)c(OC)c7"	0	NA	NA	1	1	"440805829"	NA
"765798"	765798	"(e)-3-(3-((1-(4-fluorobenzyl)-1h-1,2,3-triazol-4-yl)meth..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc3cn(Cc4ccc(F)cc4)nn3"	0	NA	NA	1	1	"440800678"	NA
"765799"	765799	"(e)-3-(4-methoxy-3-((1-(4-methoxybenzyl)-1h-1,2,3-triazo..."	"COc1ccc(Cn2cc(COc3cc(\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4)ccc3OC)nn2)cc1"	0	NA	NA	1	1	"440798224"	NA
"765800"	765800	"3-(6-methoxy-1h-benzo[d]imidazol-2-yl)-1-(4-methoxypheny..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccc(OC)cc6[nH]5"	0	NA	NA	1	1	"440803900"	NA
"765804"	765804	"(e)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2"	0	NA	NA	1	1	"440803901"	NA
"765805"	765805	"(e)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyp..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\C(=O)c3ccc4OCOc4c3)[nH]n2"	0	NA	NA	1	1	"440805792"	NA
"765806"	765806	"(e)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(n[nH]2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440800707"	NA
"765812"	765812	"(e)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2cc(n[nH]2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440794911"	NA
"765815"	765815	"3-(1h-benzo[d]imidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-..."	"COc1cc(cc(OC)c1OC)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccccc6[nH]5"	0	NA	NA	1	1	"440805803"	NA
"765820"	765820	"(e)-5-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t..."	"Cc1nn2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(nc2s1)c5ccccc5"	0	NA	NA	1	1	"440811736"	NA
"765865"	765865	"ASP-3026"	"COc1cc(ccc1Nc2ncnc(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:ALK"	"Clinical trial"	2	2	"-1"	NA
"765866"	765866	"Refametinib"	"COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(CC(O)CO)CC3"	0	"PK:MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"923032375"
"765876"	765876	"(1s,2s)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di..."	"[Cl-][Pt+2]1([Cl-])N[C@@H](C(C)C)[C@@H](N1)c2ccc(F)cc2"	0	NA	NA	1	1	"440809171"	NA
"765877"	765877	"(1r,2r)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di..."	"[Cl-][Pt+2]1([Cl-])N[C@H](C(C)C)[C@H](N1)c2ccc(F)cc2"	0	NA	NA	1	1	"440800582"	NA
"765878"	765878	"sphaeropsidin a"	"CC1(C)CCC[C@]23[C@H]1[C@](O)(OC2=O)C(=O)C4=C[C@](C)(CC[C@]34O)C=C"	0	NA	NA	1	1	"440806305"	NA
"765884"	765884	""	"CN1C=CN(Cc2ccc(nc2)c3ccccn3)[C-]1[Au+3][C-]4N(C)C=CN4Cc5ccc(nc5)c6ccccn6"	0	NA	NA	2	2	"440803756"	NA
"765885"	765885	""	"CN1C=CN([C-]1[Au+3][C-]2N(C)C=CN2c3ccc4ccccc4n3)c5ccc6ccccc6n5.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	"441653701"	NA
"765888"	765888	"Dacomitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	"PK:EGFR,ERBB2"	"FDA approved"	2	2	"-1"	"1110813314"
"765889"	765889	"ABT-348"	"Nc1ncc(c2cnn(CCO)c2)c3scc(c4ccc(NC(=O)Nc5cccc(F)c5)cc4)c13"	0	"PK:AURK,VEGFR"	"Clinical trial"	2	2	"-1"	"1227939823"
"765898"	765898	"GDC-0152"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3snnc3c4ccccc4"	0	"IAP"	"Clinical trial"	2	2	"-1"	NA
"765911"	765911	"4-(5-(4-chlorophenyl)-5h-thiazolo[3,2-a]pyrimidin-7-yl)a..."	"Nc1ccc(cc1)C2=CC(N3C=CSC3=N2)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440797769"	NA
"765948"	765948	"fluvastatin sodium (usan)"	"CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13"	0	NA	NA	2	2	"440797908"	"93957552"
"765949"	765949	"AEE-788"	"CCN1CCN(Cc2ccc(cc2)c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)CC1"	0	"PK:EGFR,ERBB2,VEGF,VEGFR"	"Clinical trial"	2	2	"-1"	"497839620"
"765954"	765954	"5-(2-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5h-thiaz..."	"COc1ccc(cc1)C2=CC(N3C=CSC3=N2)c4ccc(OC)cc4Br"	0	NA	NA	1	1	"440800236"	NA
"765955"	765955	"5-(2-bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5h-t..."	"COc1ccc(C2C=C(N=C3SC=CN23)c4ccc(OC)c(OC)c4)c(Br)c1"	0	NA	NA	1	1	"440803433"	NA
"765974"	765974	"BYL-719"	"Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F"	0	"PK:PIK3"	"FDA approved"	2	2	"-1"	"1217486617"
"766053"	766053	""	"COc1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(n2)N5CCOCC5)cc1"	0	NA	NA	1	1	"440811533"	NA
"766054"	766054	""	"Cc1ccc(cc1)S(=O)(=O)N2C\C(=C/c3cc(F)cc(F)c3)\C(=O)\C(=C\c4cc(F)cc(F)c4)\C2"	0	NA	NA	2	2	"440814253"	NA
"766055"	766055	""	"Fc1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(n2)N5CCOCC5)cc1"	0	NA	NA	1	1	"440809069"	NA
"766056"	766056	"(3e,5e)-1-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1h-1..."	"COc1ccc(\C=C\2/CN(Cc3cn(CCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)c(OC)c6)\C2=O)cc1OC"	0	NA	NA	1	1	"440811532"	NA
"766074"	766074	""	"CCSc1nnc(c2ccc3ccccc3c2O)n1c4ccc(Cl)cc4"	0	NA	NA	1	1	"440811602"	NA
"766076"	766076	""	"CC(=O)Oc1ccc(C2OC(=NN2C(=O)C)c3ccc4ccccc4c3OC(=O)C)c(OC(=O)C)c1"	0	NA	NA	2	2	"440798068"	NA
"766103"	766103	"6-(4-methoxyphenyl)-3-(3,5-dimethyl-1h-pyrazol-1-yl)-7h-..."	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3n4nc(C)cc4C"	0	NA	NA	2	2	"440808984"	NA
"766118"	766118	"Teriflunomide"	"C\C(=C(/C#N)\C(=O)Nc1ccc(cc1)C(F)(F)F)\O"	0	""	"FDA approved"	1	1	"-1"	"108605625"
"766124"	766124	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440806001"	NA
"766126"	766126	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440811378"	NA
"766129"	766129	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440808858"	NA
"766130"	766130	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	2	1	"440806002"	NA
"766131"	766131	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	2	1	"440814085"	NA
"766132"	766132	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccccc5)c4"	0	NA	NA	2	2	"440811370"	NA
"766133"	766133	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	2	2	"440811380"	NA
"766134"	766134	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)c4"	0	NA	NA	2	2	"440811371"	NA
"766143"	766143	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"440811365"	NA
"766216"	766216	""	"Clc1ccc(\C=C/2\CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=S)Nc4ccccc4)cc1"	0	NA	NA	2	2	"440798080"	NA
"766218"	766218	""	"Clc1ccc(\C=C/2\CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=O)c4ccccc4)cc1"	0	NA	NA	2	2	"440809147"	NA
"766219"	766219	""	"CC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	"440800560"	NA
"766220"	766220	""	"Fc1ccc(\C=C/2\CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)c4ccccc4)cc1"	0	NA	NA	1	1	"440800562"	NA
"766221"	766221	""	"Fc1ccc(\C=C/2\CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)c4ccccc4F)cc1"	0	NA	NA	2	2	"440803726"	NA
"766223"	766223	""	"[O-][N+](=O)c1ccc(cc1)C(=O)N2C\C(=C\c3ccc(F)cc3)\C(=O)\C(=C\c4ccc(F)cc4)\C2"	0	NA	NA	2	2	"440814316"	NA
"766226"	766226	""	"COc1ccc(\C=C/2\CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)c4ccccc4F)cc1"	0	NA	NA	1	1	"440806278"	NA
"766227"	766227	""	"Fc1ccccc1C(=O)N2C\C(=C\c3ccc(Br)cc3)\C(=O)\C(=C\c4ccc(Br)cc4)\C2"	0	NA	NA	2	2	"440811623"	NA
"766228"	766228	""	"Brc1ccc(\C=C/2\CN(CCC#N)C\C(=C/c3ccc(Br)cc3)\C2=O)cc1"	0	NA	NA	1	1	"440806279"	NA
"766229"	766229	""	"COc1ccc(\C=C/2\CN(CCC#N)C\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	NA	NA	1	1	"440803730"	NA
"766230"	766230	""	"Fc1ccccc1C(=O)N2C\C(=C\c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	2	2	"440798082"	NA
"766231"	766231	""	"Cc1ccc(cc1)C(=O)N2C\C(=C\c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	2	2	"440803729"	NA
"766239"	766239	""	"CCOC(=O)N1C\C(=C\c2ccc(OC)cc2)\C(=O)\C(=C\c3ccc(OC)cc3)\C1"	0	NA	NA	2	2	"440811624"	NA
"766240"	766240	""	"CCOC(=O)N1C\C(=C\c2ccc(F)cc2)\C(=O)\C(=C\c3ccc(F)cc3)\C1"	0	NA	NA	1	1	"440811620"	NA
"766241"	766241	""	"CCOC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	1	1	"440803732"	NA
"766243"	766243	""	"CCC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	"440800559"	NA
"766244"	766244	""	"CCC(=O)N1C\C(=C\c2ccc(Br)cc2)\C(=O)\C(=C\c3ccc(Br)cc3)\C1"	0	NA	NA	2	2	"440806276"	NA
"766245"	766245	""	"CCC(=O)N1C\C(=C\c2ccc(OC)cc2)\C(=O)\C(=C\c3ccc(OC)cc3)\C1"	0	NA	NA	1	1	"440803727"	NA
"766246"	766246	""	"O=C(N1C\C(=C\c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)c4ccccc4"	0	NA	NA	1	1	"440800561"	NA
"766247"	766247	""	"O=C1\C(=C/c2ccccc2)\CN(CCC#N)C/C/1=C\c3ccccc3"	0	NA	NA	1	1	"440809146"	NA
"766255"	766255	"CT-GSK183"	"CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25"	0	"PK:IGF1R,ALK"	"Clinical trial"	2	2	"-1"	"1116235972"
"766257"	766257	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	2	2	"440809168"	NA
"766258"	766258	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCCCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	1	1	"440814334"	NA
"766259"	766259	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCCCCCCCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	1	1	"440794807"	NA
"766270"	766270	"ABT-199"	"CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4"	0	"BCL2"	"FDA approved"	2	2	"-1"	"1257044408"
"766271"	766271	"PHA-665752"	"Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6"	0	"PK:MET"	"Clinical trial"	2	2	"-1"	"477575567"
"766272"	766272	""	"COc1cc(NC(=O)CCSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	"440803460"	NA
"766289"	766289	""	"COc1cc(Nc2ncnc(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC"	0	NA	NA	2	2	"440805884"	NA
"766292"	766292	""	"CCC(=O)Nc1nonc1c2nc3ccccc3n2Cc4cccc(F)c4"	0	NA	NA	1	1	"440798267"	NA
"766294"	766294	""	"COc1cccc(Cn2c(nc3ccccc23)c4nonc4N)c1"	0	NA	NA	2	2	"440803943"	NA
"766298"	766298	""	"COc1cc(cc(OC)c1OC)C(=O)n2nc(N)c3c(C)cc(C)nc23"	0	NA	NA	2	2	"440811802"	NA
"766314"	766314	"(e)-3-(4-ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido..."	"COc1cc(\C=C\C2=Nc3ncccc3C(=O)N2c4ccc(cc4)C#C)cc(OC)c1OC"	0	NA	NA	1	1	"440800676"	NA
"766317"	766317	"(e)-3-(4-ethynylphenyl)-2-(2-(naphthalen-2-yl)vinyl)pyri..."	"O=C1N(C(=Nc2ncccc12)\C=C\c3ccc4ccccc4c3)c5ccc(cc5)C#C"	0	NA	NA	1	1	"440794915"	NA
"766325"	766325	"1-(6-fluoro-1h-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(F)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440809258"	NA
"766330"	766330	"6-methoxy-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-..."	"COc1ccc(cc1)c2nc(c3nc4ccc(OC)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440803903"	NA
"766331"	766331	"2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl)-6-(tri..."	"COc1ccc(cc1)c2nc(c3nc4ccc(cc4[nH]3)C(F)(F)F)c5ccccn25"	0	NA	NA	1	1	"440803892"	NA
"766332"	766332	"1-(6-chloro-1h-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440798226"	NA
"766333"	766333	"6-chloro-5-fluoro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]py..."	"COc1ccc(cc1)c2nc(c3nc4cc(F)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440800686"	NA
"766334"	766334	"(e)-3-(4-ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]..."	"Oc1ccc(\C=C\C2=Nc3ncccc3C(=O)N2c4ccc(cc4)C#C)cc1"	0	NA	NA	1	1	"440798227"	NA
"766337"	766337	"5,6-dichloro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin..."	"COc1ccc(cc1)c2nc(c3nc4cc(Cl)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440803904"	NA
"766338"	766338	"3-(4-methoxyphenyl)-1-(6-methyl-1h-benzo[d]imidazol-2-yl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(C)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440798228"	NA
"766343"	766343	""	"NC(=N)c1ccc(cc1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	"440800552"	NA
"766346"	766346	""	"NC(=N)c1ccc(nc1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	"440794788"	NA
"766347"	766347	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccccc3"	0	NA	NA	2	1	"440803720"	NA
"766348"	766348	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	"440806272"	NA
"766397"	766397	""	"CCN(CCc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440808958"	NA
"766399"	766399	""	"OCc1ccc(cc1Cl)N2CCCC2"	0	NA	NA	2	2	"440794641"	NA
"766401"	766401	""	"OCc1ccc(cc1Cl)N2CCOCC2"	0	NA	NA	2	2	"440794642"	NA
"766402"	766402	""	"OCc1ccc(cc1Cl)N2CCc3cc(F)ccc3C2"	0	NA	NA	2	2	"440803564"	NA
"766404"	766404	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Br)c2"	0	NA	NA	2	2	"440808957"	NA
"766407"	766407	""	"OCc1ccc(cc1Cl)N2CCc3ccc(F)cc3C2"	0	NA	NA	2	2	"440808956"	NA
"766408"	766408	""	"CC(C)N(Cc1c(F)cccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797900"	NA
"766411"	766411	"mmv malaria box"	"Cc1ccc(cc1)c2cc3c(SCC(=O)Nc4cc(ccc4Cl)C(F)(F)F)nccn3n2"	0	NA	NA	1	1	"440814100"	NA
"766417"	766417	"mmv malaria box"	"Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(C4CCCC4)C2=O)c(C)n1c5ccc(Cl)cc5"	0	NA	NA	1	1	"440806045"	NA
"766426"	766426	"mmv malaria box"	"CCCCCC(=O)N1C(C2=C(O)CC(CC2=Nc3ccccc13)c4ccc(OC)c(OC)c4)c5ccc(cc5)C(F)(F)F"	0	NA	NA	1	1	"440803526"	NA
"766440"	766440	"mmv malaria box"	"CSC1=N\C(=N/c2c(C)cccc2C)\C3(CCC(CC3)C(C)(C)C)N1c4ccc(Cl)cc4"	0	NA	NA	1	1	"440814113"	NA
"766467"	766467	"mmv malaria box"	"COc1ccc2C(=O)C=C(Oc2c1)C(Cl)(Cl)Cl"	0	NA	NA	1	1	"440797833"	NA
"766470"	766470	"mmv malaria box"	"COc1ccc(cc1)c2nc3cc(Cc4ccc5[nH]c(nc5c4)c6ccc(OC)cc6)ccc3[nH]2"	0	NA	NA	2	2	"440803515"	NA
"766478"	766478	"mmv malaria box"	"Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C"	0	NA	NA	1	1	"440806043"	NA
"766494"	766494	"mmv malaria box"	"CCCCc1ccc(NS(=O)(=O)c2cc3CCN4C(=O)CCc(c2)c34)cc1"	0	NA	NA	1	1	"440803516"	NA
"766497"	766497	"mmv malaria box"	"Oc1ccc(Cl)cc1CNc2nc3ccccc3[nH]2"	0	NA	NA	1	1	"440800300"	NA
"766511"	766511	"mmv malaria box"	"Clc1ccc(cc1)C2(CN3CCC(CC3)NC(=O)CCc4occc4)CCC2"	0	NA	NA	1	1	"440811436"	NA
"766523"	766523	"mmv malaria box"	"CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2"	0	NA	NA	2	2	"440803539"	NA
"766527"	766527	"mmv malaria box"	"Oc1ccccc1NC(=O)c2ccc(Oc3cccc(c3)C(=O)Nc4ccccc4O)cc2"	0	NA	NA	1	1	"440803538"	NA
"766532"	766532	"mmv malaria box"	"CC(CCC(=C)C)N1CCC(CC1)N2CCC(CC2)C(=O)NCCc3ccccc3"	0	NA	NA	1	1	"440797866"	NA
"766538"	766538	"mmv malaria box"	"COc1ccc(CCN2CCC(CN(C)Cc3cnn(c3)c4ccccc4)CC2)cc1"	0	NA	NA	1	1	"440794616"	NA
"766544"	766544	"mmv malaria box"	"COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)NCCN4CCN(CC4)c5ccccc5F"	0	NA	NA	1	1	"440797828"	NA
"766546"	766546	"mmv malaria box"	"CCOc1cc(Cl)c(cc1OCC)C(C)NC(=O)c2cccc(OC)c2"	0	NA	NA	2	2	"440800338"	NA
"766547"	766547	"mmv malaria box"	"CCOc1c(Cl)cc(CNC(C)C(O)c2ccccc2)cc1OC"	0	NA	NA	1	1	"440808889"	NA
"766548"	766548	"mmv malaria box"	"Cc1oc(CN2CCC(CC2)C(=O)Nc3ccc(cc3)c4cc5ccccc5[nH]4)cc1"	0	NA	NA	1	1	"440800297"	NA
"766556"	766556	"mmv malaria box"	"CCOc1cc(Br)c(cc1OCC)C(C)NC(=O)c2cccc(OC)c2"	0	NA	NA	2	2	"440794594"	NA
"766563"	766563	"mmv malaria box"	"CC(C)OCc1cc(CN2CCN(CC2)c3cccc(Cl)c3)c(O)c4ncccc14"	0	NA	NA	1	1	"440811396"	NA
"766564"	766564	"mmv malaria box"	"CCCN(CCC)CCCNC(=O)c1cc2c(nn(C)c2s1)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"440803543"	NA
"766578"	766578	"mmv malaria box"	"COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC"	0	NA	NA	1	1	"440797856"	NA
"766585"	766585	"mmv malaria box"	"Clc1ccc2nc(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1)c5ccncc5"	0	NA	NA	2	2	"440794608"	NA
"766590"	766590	"mmv malaria box"	"CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1"	0	NA	NA	1	1	"440806057"	NA
"766601"	766601	"mmv malaria box"	"CCN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(cc3)C(=O)OC"	0	NA	NA	1	1	"440806042"	NA
"766613"	766613	"mmv malaria box"	"Cc1cc(Nc2cccc(F)c2)nc(NCc3ccccc3)n1"	0	NA	NA	1	1	"440808910"	NA
"766615"	766615	"mmv malaria box"	"Clc1ccc2nc(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1)c5cccnc5"	0	NA	NA	1	1	"440803507"	NA
"766626"	766626	"mmv malaria box"	"Cc1sc2ncnc(Sc3nc4ccccc4[nH]3)c2c1C"	0	NA	NA	1	1	"440800310"	NA
"766634"	766634	"mmv malaria box"	"Oc1c(CN2CCN(CC2)c3ccccc3F)cc(Br)c4cccnc14"	0	NA	NA	2	2	"440794580"	NA
"766649"	766649	"mmv malaria box"	"Oc1c2CCCCc2nc3ccccc13"	0	NA	NA	1	1	"440800304"	NA
"766656"	766656	"mmv malaria box"	"CCOC(=O)c1cnc2ccc(Cl)cc2c1NCCCN(C)C"	0	NA	NA	1	1	"440803508"	NA
"766672"	766672	"mmv malaria box"	"Cc1ccc(OCCCCCCNCCO)c(C)c1"	0	NA	NA	2	2	"440811392"	NA
"766674"	766674	"mmv malaria box"	"COc1ccc(C)c2sc(nc12)N(Cc3cccnc3)C(=O)c4ccc(cc4)C#N"	0	NA	NA	1	1	"440814114"	NA
"766681"	766681	"mmv malaria box"	"CC1=C(CC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)c3ccccc3C1=O"	0	NA	NA	1	1	"440808923"	NA
"766685"	766685	"mmv malaria box"	"COc1ccc(cc1)C2=CC(=O)Oc3c4CN(Cc5ccc(F)cc5)COc4ccc23"	0	NA	NA	1	1	"440811431"	NA
"766689"	766689	"mmv malaria box"	"Clc1ccc2OC(=O)C=C(NC3CCN(CCCc4ccccc4)CC3)c2c1"	0	NA	NA	1	1	"440811430"	NA
"766690"	766690	"mmv malaria box"	"CCOC(=O)c1cnc2c(C)cccc2c1Nc3ccc(cc3)C(=O)C"	0	NA	NA	1	1	"440808922"	NA
"766693"	766693	"mmv malaria box"	"CCOc1ccc2OCN(Cc3ccc(Cl)cc3)Cc2c1"	0	NA	NA	1	1	"440794598"	NA
"766694"	766694	"mmv malaria box"	"CCOC(=O)C1=C(C)N=C2S\C(=C/c3ccccc3O)\C(=O)N2C1c4ccc(OC)c5ccccc45"	0	NA	NA	1	1	"440814099"	NA
"766701"	766701	"mmv malaria box"	"Nc1ccc(cc1)c2nc3cc(Cc4ccc5[nH]c(nc5c4)c6ccc(N)cc6)ccc3[nH]2"	0	NA	NA	1	1	"440808921"	NA
"766704"	766704	"mmv malaria box"	"COc1ccc(cc1CN2CCN(CC2)c3ccc(F)cc3)C4NCCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	"440811423"	NA
"766707"	766707	"mmv malaria box"	"Brc1cccc(c1)C(=O)Nc2ccc(cc2)c3nc4cc5ccccc5cc4[nH]3"	0	NA	NA	1	1	"440814122"	NA
"766721"	766721	"mmv malaria box"	"COc1ccc(CN2CCCC(C2)C(=O)c3ccc(cc3)C(F)(F)F)c(O)c1"	0	NA	NA	1	1	"440808887"	NA
"766722"	766722	"mmv malaria box"	"CCCCCCc1cc2C=C(\C(=N\c3ccccc3C)\Oc2cc1O)c4nc5ccccc5[nH]4"	0	NA	NA	2	2	"440806031"	NA
"766723"	766723	"mmv malaria box"	"Brc1ccc(Nc2nc3ccccc3nc2Nc4ccc(Br)cc4)cc1"	0	NA	NA	1	1	"440794611"	NA
"766734"	766734	"mmv malaria box"	"O=C(NC1CCN(Cc2ccccc2)CC1)c3cc(cc(c3)C(=O)NC4CCN(Cc5ccccc5)CC4)C(=O)NC6CCN(Cc7ccccc7)CC6"	0	NA	NA	1	1	"440800342"	NA
"766744"	766744	"mmv malaria box"	"CC1=CC(=O)Oc2c1ccc3oc(C(=O)c4ccc(C)cc4)c(C)c23"	0	NA	NA	1	1	"440806066"	NA
"766746"	766746	"mmv malaria box"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(\C=C\c4ccccc4)n3"	0	NA	NA	1	1	"440811440"	NA
"766747"	766747	"mmv malaria box"	"COc1ccc(\C=C\2/SC(=NC2=O)Nc3ccccc3)cc1"	0	NA	NA	1	1	"440800341"	NA
"766749"	766749	"mmv malaria box"	"CN1C(=O)N(C)c2cc(CNCCNc3ccnc4cc(Cl)ccc34)ccc12"	0	NA	NA	1	1	"440794621"	NA
"766751"	766751	"mmv malaria box"	"CCOC(=O)C1=CN(C)C=C(C1c2cc(Br)c(OCC)c(OC)c2)C(=O)OCC"	0	NA	NA	1	1	"440811405"	NA
"766755"	766755	"mmv malaria box"	"Clc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4cc(NC(=O)c5ccc(Cl)cc5)ccc4[nH]3"	0	NA	NA	2	2	"440803521"	NA
"766757"	766757	"mmv malaria box"	"Nc1nc(Nc2cccc(F)c2)nc3ccccc13"	0	NA	NA	1	1	"440814098"	NA
"766761"	766761	"mmv malaria box"	"FC(F)(F)c1cc(nc2cc(nn12)C(=O)NC3CCN(Cc4ccccc4)CC3)c5ccc(Cl)s5"	0	NA	NA	1	1	"440794620"	NA
"766765"	766765	"mmv malaria box"	"CC(C)(C)c1ccc(cc1)C2CC(=C3C(N(C(=O)c4ccccc4Cl)c5ccccc5N=C3C2)c6ccc(F)cc6)O"	0	NA	NA	1	1	"440800336"	NA
"766767"	766767	"mmv malaria box"	"Oc1ccc(Br)cc1CN2CCN(Cc3ccc(Cl)cc3)CC2"	0	NA	NA	1	1	"440794613"	NA
"766769"	766769	"mmv malaria box"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	"440803520"	NA
"766775"	766775	"mmv malaria box"	"Cc1ccc(C)c(c1)c2csc(Nc3ccc(C)c(C)c3)n2"	0	NA	NA	1	1	"440797873"	NA
"766777"	766777	"mmv malaria box"	"COc1cc(cc(OC)c1O)c2nc(c3ccccc3)c([nH]2)c4ccccc4"	0	NA	NA	1	1	"440803518"	NA
"766780"	766780	"mmv malaria box"	"CCCCNc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1"	0	NA	NA	1	1	"440803510"	NA
"766782"	766782	"mmv malaria box"	"Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl"	0	NA	NA	1	1	"440808897"	"4300430"
"766788"	766788	"mmv malaria box"	"OCCCCN1C(=O)c2ccc3C(=O)N(CCCCO)C(=O)c4ccc(C1=O)c2c34"	0	NA	NA	1	1	"440794593"	NA
"766790"	766790	"mmv malaria box"	"CCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1"	0	NA	NA	1	1	"440814112"	NA
"766807"	766807	"mmv malaria box"	"Cn1c(nc2ccccc12)C(=O)c3cccc4ccccc34"	0	NA	NA	1	1	"440808939"	NA
"766808"	766808	"mmv malaria box"	"CCc1ccc(CNCC(O)c2ccccc2)cc1"	0	NA	NA	1	1	"440808905"	NA
"766813"	766813	"(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3h-..."	"OC1CCC(CC1)N2C=Nc3c(C2=N)c(c4ccccc4)c(c5ccccc5)n3Cc6ccccc6"	0	NA	NA	2	2	"440803573"	NA
"766820"	766820	"LY-2228820"	"CC(C)(C)Cn1c(N)nc2ccc(nc12)c3nc([nH]c3c4ccc(F)cc4)C(C)(C)C"	0	"PK:MAPK14"	"Clinical trial"	2	2	"-1"	"862505008"
"766821"	766821	"BMS-911543"	"CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6"	0	"PK:JAK,JAK1,JAK2,JAK3"	"Clinical trial"	2	2	"-1"	"1271022902"
"766824"	766824	"CEP-14083"	"CCN1C(=O)CCCc2c(OC)c(Nc3ncc(Cl)c(NC4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)ccc12"	0	"PK:ALK"	"Clinical trial"	2	2	"-1"	"1022957125"
"766871"	766871	"2-(3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl..."	"OC(=O)c1ccccc1Nc2ccc3nnc(c4ccncc4)n3n2"	0	NA	NA	1	1	"440806290"	NA
"766905"	766905	"cyclopropane vinorelbine sulfate"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC"	0	NA	NA	2	2	"440800419"	NA
"766906"	766906	"MLN-2480"	"C[C@@H](NC(=O)c1ncnc(N)c1Cl)c2ncc(s2)C(=O)Nc3cc(c(Cl)cn3)C(F)(F)F"	0	"PK:BRAF,RAF,RAF1"	"Clinical trial"	2	2	"-1"	"1096708712"
"766907"	766907	"Ixazomib"	"CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O"	0	"PSM"	"FDA approved"	2	2	"-1"	"1072833772"
"766908"	766908	"PD 173074"	"CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3"	0	"PK:PDGFR,FGFR,SRC,VEGFR,FGFR1,FGFR3"	"Clinical trial"	2	2	"-1"	"219580117"
"766920"	766920	"(r)-4,11-dihydroxy-3-((pyrrolidin-3-ylamino)methyl)-1h-n..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c(CN[C@@H]5CCCN5)c[nH]c14"	0	NA	NA	2	2	"440803552"	NA
"766921"	766921	"(s)-3-(3-aminopyrrolidine-1-carbonyl)-4,11-dihydroxy-2-m..."	"Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N5CC[C@@H](N)C5"	0	NA	NA	1	1	"440794631"	NA
"766922"	766922	"copper-elesclomol"	"CN(C(=S)c1ccccc1)[N-]2[Cu+2][N-](N(C)C(=S)c3ccccc3)C(=O)CC2=O"	0	NA	NA	2	2	"440809084"	"1224195725"
"766927"	766927	"ethyl 9-(2-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4ccccc4OC"	0	NA	NA	1	1	"440806215"	NA
"766929"	766929	"ethyl 9-(3,4,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrol..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	"440800514"	NA
"766937"	766937	"ethyl 9-benzyl-7-chloro-4,5,6,9-tetrahydropyrrolo[2',3':..."	"CCOC(=O)c1c(Cl)c2CCCc3cnoc3c2n1Cc4ccccc4"	0	NA	NA	1	1	"440794764"	NA
"766939"	766939	"ethyl 7-chloro-9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydr..."	"CCOC(=O)c1c(Cl)c2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	NA	NA	2	2	"440800506"	NA
"766941"	766941	"7-benzyl-6,8-dibromo-5,7-dihydro-4h-[1,3]thiazolo[4,5-e]..."	"Nc1nc2c(CCc3c(Br)n(Cc4ccccc4)c(Br)c23)s1"	0	NA	NA	1	1	"440794765"	NA
"766942"	766942	"6,8-dibromo-7-(4-methoxybenzyl)-5,7-dihydro-4h-[1,3]thia..."	"COc1ccc(Cn2c(Br)c3CCc4sc(N)nc4c3c2Br)cc1"	0	NA	NA	1	1	"440806211"	NA
"766946"	766946	"8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1ccc(Cn2c(Br)c3c(CCc4sc(N)nc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	2	2	"440798039"	NA
"766949"	766949	"7-(phenylsulfonyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydr..."	"COc1cc(cc(OC)c1OC)c2c3CCc4sc(N)nc4c3cn2S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	"440794752"	NA
"766953"	766953	"n-(7-benzyl-6,8-dibromo-5,7-dihydro-4h-[1,3]thiazolo[4,5..."	"Brc1c2CCc3sc(NC(=O)c4ccccc4)nc3c2c(Br)n1Cc5ccccc5"	0	NA	NA	1	1	"440798043"	NA
"766962"	766962	"n-[8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl..."	"COc1ccc(Cn2c(Br)c3c(CCc4sc(NC(=O)C)nc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	1	1	"440798049"	NA
"766977"	766977	"ethyl 9-(3-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cccc(OC)c4"	0	NA	NA	2	2	"440806226"	NA
"766978"	766978	"ethyl 9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrolo[..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	NA	NA	2	2	"440803695"	NA
"766991"	766991	"GSK-690693"	"CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	"-1"	"937174760"
"766992"	766992	"BAY 61-3606"	"COc1ccc(cc1OC)c2cc3nccn3c(Nc4ncccc4C(=O)N)n2"	0	"PK:SYK"	"Clinical trial"	2	1	"-1"	"732983378"
"767006"	767006	"AEW-541"	"Nc1ncnc2c1c(cn2[C@@H]3C[C@H](CN4CCC4)C3)c5cccc(OCc6ccccc6)c5"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	"-1"	"475489168"
"767019"	767019	"silver bis(nhc) bromide"	"CN1C=CN(Cc2ccccc2)C1=[Ag+]=C3N(C)C=CN3Cc4ccccc4"	0	NA	NA	1	1	"440803674"	NA
"767048"	767048	"BMS-387032"	"CC(C)(C)c1oc(CSc2cnc(NC(=O)C3CCNCC3)s2)nc1"	0	"PK:CDK,CDK2,CDK7,CDK9"	"Clinical trial"	2	2	"-1"	"345627807"
"767063"	767063	"3-(1-(3,4-dichlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl)-6..."	"Cc1cc(c(C)n1c2ccc(Cl)c(Cl)c2)c3nnc4CCCCCn34"	0	NA	NA	1	1	"440811463"	NA
"767067"	767067	"ltbr agonist mab"	NA	0	NA	NA	2	2	"440809173"	NA
"767074"	767074	"(e)-6-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t..."	"Cc1nn2c(\C=C/3\C(=O)Nc4cc(Cl)ccc34)c(nc2s1)c5ccccc5"	0	NA	NA	1	1	"440805831"	NA
"767081"	767081	"5-(5,6-dichloro-1h-benzo[d]imidazol-2-yl)-6-(4-fluorophe..."	"Cc1nn2c(c3nc4cc(Cl)c(Cl)cc4[nH]3)c(nc2s1)c5ccc(F)cc5"	0	NA	NA	2	2	"440803894"	NA
"767123"	767123	"Saridegib"	"C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6CC(CC[C@]6(C)[C@H]5CC4=C(C)C3)NS(=O)(=O)C)[C@@H]2C"	0	"SMO"	"Clinical trial"	2	1	"-1"	"1037210937"
"767124"	767124	"Enzastaurin"	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7ccccc17"	0	"PK:PRKCA,STK,PIK3,AKT"	"Clinical trial"	2	2	"-1"	"170364575"
"767125"	767125	"BMN-673"	"Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5"	0	"PARP1|PARP2"	"FDA approved"	3	3	"-1"	"1207456016"
"767128"	767128	"Birinapant"	"CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc2c([nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[C@@H]6C[C@H](O)CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC"	0	"IAP"	"Clinical trial"	2	2	"-1"	"1260251317"
"767160"	767160	""	"COC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=S)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"440814384"	NA
"767161"	767161	""	"COC(=O)[C@H]1CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=S)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"440811682"	NA
"767162"	767162	"ncgc00241410-01"	"Clc1ccc2ncc(c3cccc(NC4CNC4)n3)n2c1"	0	NA	NA	1	1	"440794637"	"1044733370"
"767163"	767163	"ncgc00262376-01"	"C1C[C@H](CN1)Nc2cccc(n2)c3cnc4ccc(cn34)c5cn[nH]c5"	0	NA	NA	2	2	"440814151"	NA
"767188"	767188	"stk440742"	"CCOC(=O)Nc1nc2ccc(OCC)cc2s1"	0	NA	NA	2	2	"440811830"	NA
"767189"	767189	"AZD-2014"	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1009298592"
"767191"	767191	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767193"	767193	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc4ccccc4c3)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767194"	767194	""	"COc1ccc(cc1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767195"	767195	""	"COc1ccc2c(cn(C)c2c1)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767196"	767196	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccsc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767197"	767197	""	"CSc1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767199"	767199	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccc(N)cc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767200"	767200	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc(N)cc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767202"	767202	""	"CS(=O)c1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767203"	767203	""	"CC(=O)Nc1ccc2c(c1)c(cn2C)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767206"	767206	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(N)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767207"	767207	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(c3)[N+](=O)[O-])c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767211"	767211	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4c(N)cccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767213"	767213	""	"Cc1ccc2c(c1)c(cn2C)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767214"	767214	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(N)ccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767215"	767215	""	"Cc1cccc2c(cn(C)c12)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767217"	767217	""	"CC(=O)Nc1ccc2c(cn(C)c2c1)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767218"	767218	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(Cl)ccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767219"	767219	""	"Cc1ccccc1C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767220"	767220	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccc(Cl)cc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767221"	767221	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(Br)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767222"	767222	""	"Cc1ccc(C)c(c1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767224"	767224	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccccc3[N+](=O)[O-])c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767225"	767225	""	"Cc1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767226"	767226	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767227"	767227	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767228"	767228	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccnc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767229"	767229	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767230"	767230	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCO)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767231"	767231	""	"CNCCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767232"	767232	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767236"	767236	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN\C(=N/[N+](=O)[O-])\N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767237"	767237	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767238"	767238	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767239"	767239	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCNC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767240"	767240	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CNCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767242"	767242	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)CCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767243"	767243	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCSC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767244"	767244	""	"CCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767246"	767246	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767247"	767247	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)Cn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767248"	767248	""	"CNCC1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767249"	767249	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767250"	767250	""	"[O-][N+](=O)c1ccc2Nc3n[nH]cc3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767252"	767252	""	"Fc1ccc2NC(=O)\C(=C/c3ccc[nH]3)\c2c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767253"	767253	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccccc23"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767254"	767254	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767255"	767255	""	"CC(C)c1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767256"	767256	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4F)C#N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767257"	767257	""	"COc1ccc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767258"	767258	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(I)c23"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767259"	767259	""	"CNCC#Cc1c(F)ccc2NC(=O)\C(=C/c3[nH]ccc3OC)\c12"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767260"	767260	""	"CC(=O)Nc1ccc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767261"	767261	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#CC4(O)CCOCC4)c23"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767262"	767262	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4F)C(=O)N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767263"	767263	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#CC4(O)CCNCC4)c23"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767264"	767264	""	"CN[C@@H](CO)C#Cc1c(F)ccc2NC(=O)\C(=C/c3[nH]ccc3OC)\c12"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767265"	767265	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c23"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767268"	767268	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ncccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767271"	767271	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCCCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767272"	767272	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(ccc34)C(=O)N)c5ccccc15"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767274"	767274	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCC(CN)CCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767275"	767275	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CN(CCn4c5ccccc35)C(=S)N)c6ccccc16"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767276"	767276	""	"CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c5cn(C)c6ccccc56)c7ccccc7n3C[C@H]2C1"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767287"	767287	""	"COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)c1F"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767288"	767288	""	"CN(C)C[C@H]1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767289"	767289	""	"CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c5cn(C)c6ccccc56)c7ccccc7n3C[C@H]2C1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767290"	767290	""	"OCCOc1cc(c2ccc[nH]2)c3C(=O)Nc4ccc(F)c1c34"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767291"	767291	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(c(N4CC[C@@H](O)C4)c23)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767292"	767292	""	"CN1CCN(CC1)c2ccc(Nc3nc(N)c(s3)C(=O)c4ccc5OCCOc5c4)cc2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767293"	767293	""	"COc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)N4CCN(CC4)C(C)C)nc2N"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767299"	767299	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(c3)C#CCN4CCOCC4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767304"	767304	""	"Fc1ccc(cc1)c2c([nH]c3cccnc23)c4ccncc4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767307"	767307	""	"Fc1ccc(cc1)c2c(c3ccncc3)n(CCN4CCOCC4)c5cccnc25"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767309"	767309	""	"Cc1nn(c(O)c1C(=O)c2ccccc2)c3ccccc3"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767317"	767317	""	"Nc1c(cnn1c2ccc(F)cc2F)C(=O)c3cccc(c3)c4cccnc4"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767318"	767318	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(c3)c4ccncc4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767320"	767320	""	"Nc1c(cnn1c2ccc(F)cc2F)C(=O)c3cccc(c3)c4ccncc4"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767327"	767327	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3ccc(cc3)c4cccnc4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767329"	767329	""	"C[C@H](O)CNc1cc(ccn1)c2[nH]c3cccnc3c2c4ccc(F)cc4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767330"	767330	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(OC[C@@H](O)CO)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767331"	767331	""	"COc1ccc(cc1OC)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767332"	767332	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc(OC[C@@H](O)CO)cc3)c4ccccc14"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767337"	767337	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4cccc(OC)c34"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767339"	767339	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4c(C)cccc34"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767344"	767344	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(NCC(O)CO)c3)c4cc(Cl)ccc14"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767346"	767346	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4cccc(F)c4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767347"	767347	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4F"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767348"	767348	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767352"	767352	""	"CN1C(=O)C(=Cc2cnc(N[C@@H]3CC[C@@H](O)CC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767361"	767361	""	"Cc1cc(C)c2c(n1)sc3c(N)ncnc23"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767364"	767364	""	"COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@H]3CCCNC[C@@H]3NC(=O)c4ccncc4)c1F"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767365"	767365	""	"COc1ccc(cc1)N2Cc3cnc(Nc4ccccc4)nc3N([C@@H]5CC[C@@H](O)C5)C2=O"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767366"	767366	""	"Fc1ccc(OC2=Cc3cnc(NC4CCOCC4)nc3N(C5CC5)C2=O)c(F)c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767367"	767367	""	"O=C1N=C(NCc2ccccc2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767369"	767369	""	"O=C1N=C(Nc2ccccc2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767373"	767373	""	"Clc1ccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)cc1"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767374"	767374	""	"Fc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767375"	767375	""	"Clc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767376"	767376	""	"CCOc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767378"	767378	""	"COc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767380"	767380	""	"Clc1ccccc1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767381"	767381	""	"Brc1ccccc1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767384"	767384	""	"Fc1cccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767385"	767385	""	"O=C1N=C(NCCc2ccccn2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767386"	767386	""	"O=C1N=C(NCCc2cccs2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767387"	767387	""	"Clc1cccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)c1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767389"	767389	""	"OCC(Cc1ccccc1)NC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767390"	767390	""	"COc1ccccc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767391"	767391	""	"COc1ccc(F)cc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767392"	767392	""	"OC[C@H](NC1=NC(=O)\C(=C\c2ccc3ncccc3c2)\S1)c4ccccc4"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767395"	767395	""	"COc1cc(F)c(F)cc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767398"	767398	""	"Clc1cccc(Cl)c1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767399"	767399	""	"COc1cc(F)c(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767400"	767400	""	"COc1cccc(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767401"	767401	""	"O=C1NC(=O)\C(=C\c2ccc3ncccc3c2)\S1"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767404"	767404	""	"O=C1N=C(NCc2cccs2)O/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767408"	767408	""	"CS(=O)(=O)N1CCC(CC1)Nc2ncc(C(=O)c3c(F)cccc3F)c(N)n2"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767409"	767409	""	"OC[C@@H](NC1=NC(=O)\C(=C\c2ccc3ncccc3c2)\S1)c4ccccc4"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767411"	767411	""	"CS(=O)(=O)CCN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767416"	767416	""	"CN1C(=O)C(=Cc2cnc(NC3CCN(CC3)C(=O)C)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	"-1"	NA
"767420"	767420	""	"CC([C@H](N1C(=O)N[C@@H](C1=O)c2ccc(OC[C@H](O)CO)cc2)C(=O)Nc3ccc(I)cc3F)c4ccccc4"	0	"PK:Not Available"	""	2	2	"-1"	NA
"767441"	767441	"copper(ii) terephthalate 1,10-phenanthroline"	"CCO.[O-]C(=O)c1ccc(cc1)C(=O)[O-].O2=C([O-][Cu+2]234([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccc(cc%11)C%12=O[Cu+2]%13%14([O-]%12)([n+]%15cccc%16ccc%17ccc[n+]%13c%17c%15%16)[n+]%18cccc%19ccc%20ccc[n+]%14c%20c%18%19"	0	NA	NA	2	1	"441653733"	NA
"767442"	767442	"copper(ii) ocetanedioate 1,10-phenanthroline perchlorate"	"CCO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(CCCC1=O[Cu+2]23([O-]1)([n+]4cccc5ccc6ccc[n+]2c6c45)[n+]7cccc8ccc9ccc[n+]3c9c78)CCC%10=O[Cu+2]%11%12([O-]%10)([n+]%13cccc%14ccc%15ccc[n+]%11c%15c%13%14)[n+]%16cccc%17ccc%18ccc[n+]%12c%18c%16%17"	0	NA	NA	2	1	"441653718"	NA
"767443"	767443	"copper(ii) phthalate 1,10-phenanthroline"	"O=C1[O-][Cu+2]2([O-]C(=O)c3ccccc13)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	1	1	"441653663"	NA
"767470"	767470	"MLN-0905"	"CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(ccc4c3n2)C(F)(F)F)c1"	0	"PK:PLK1"	"Clinical trial"	2	2	"-1"	"1228960697"
"767478"	767478	""	"[Cl-][Ag+][C-]1=[N+](C=CN1c2c(C)cc(C)cc2C)c3c(C)cc(C)cc3C"	0	NA	NA	2	1	"440797718"	NA
"767483"	767483	""	"CCCCCN(CCCCC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	NA	NA	1	1	"440797720"	NA
"767490"	767490	"3-(2-phenyl-2-((5-phenyl-1,3,4-thiadiazol-2-yl)imino)eth..."	"O=C1Nc2ccccc2/C/1=C/C(=N/c3nnc(s3)c4ccccc4)/c5ccccc5"	0	NA	NA	2	1	"440801177"	NA
"767491"	767491	"5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one"	"O=C1Nc2ccccc2C13CC(=NN3)c4ccccc4"	0	NA	NA	1	1	"440806718"	NA
"767494"	767494	"5-bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyraz..."	"Brc1ccc2NC(=O)C3(CC(=NN3)c4ccccc4)c2c1"	0	NA	NA	1	1	"440801178"	NA
"767496"	767496	"(Z)-3-((Z)-2-((5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)..."	"Clc1ccc(cc1)c2nnc(\N=C(\C=C\3/C(=O)Nc4ccccc34)/c5ccccc5)s2"	0	NA	NA	2	1	"440797721"	NA
"767513"	767513	""	"COc1ccc(\C=C\2/N=C3SC=C(N)N3C2=O)cc1"	0	NA	NA	2	1	"440801180"	NA
"767570"	767570	""	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)cc3Cl)\C2=O)S(=O)(=O)c4ccccc4)c(Cl)c1"	0	NA	NA	2	2	"440812227"	NA
"767593"	767593	"reshimunne"	NA	0	NA	NA	2	2	"440814948"	NA
"767598"	767598	"Momelotinib"	"O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	"PK:JAK,JAK1,JAK2,JAK3"	"Clinical trial"	2	2	"-1"	"1056634684"
"767599"	767599	"I-BET-151"	"COc1cc2c3N([C@H](C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1300031495"
"767600"	767600	"Fedratinib"	"Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C"	0	"PK:FLT,JAK,FLT3,JAK2,RET"	"FDA approved"	2	2	"-1"	"936091268"
"767601"	767601	"VX-944"	"CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(c(OC)c2)c3ocnc3)c1"	0	"IMPDH2|IMPDH1|IMPDH"	"Clinical trial"	2	2	"-1"	"297730177"
"767642"	767642	""	"COc1ccc(cc1)c2c3c(N)nc(nc3nc4c2c(C)nn4c5ccccc5)c6ccncc6"	0	NA	NA	1	1	"440801182"	NA
"767647"	767647	""	"Cc1ccc(cc1)c2c3c(N)nc(nc3nc4c2c(C)nn4c5ccccc5)c6ccncc6"	0	NA	NA	1	1	"440795481"	NA
"767650"	767650	""	"CSC1=Nc2nc3C(=O)c4ccccc4C(=O)c3nc2C(=O)N1C"	0	NA	NA	2	2	"440812231"	NA
"767658"	767658	""	"Cc1ccc(cc1)c2c3c(N)c4CCCc4nc3nc5c2c(C)nn5c6ccccc6"	0	NA	NA	2	2	"440812233"	NA
"767745"	767745	"Pelitrexol"	"Cc1cc(sc1CC[C@@H]2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	"-1"	"446022339"
"767746"	767746	"ADW-742"	"Nc1ncnc2c1c(cn2[C@@H]3C[C@@H](CN4CCCC4)C3)c5cccc(OCc6ccccc6)c5"	0	"PK:IGF1R,KIT"	"Clinical trial"	2	2	"-1"	"475488234"
"767769"	767769	"2-[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-[1,2,4]triazol-3-..."	"COc1ccc(cc1OC)c2nnc(SCC(=O)Nc3ccc(cc3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)n2c5ccccc5"	0	NA	NA	1	1	"440812236"	NA
"767776"	767776	""	"CC#Cc1nc(Nc2cc(C)[nH]n2)c3ccccc3n1"	0	NA	NA	2	1	"440803386"	NA
"767781"	767781	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2Oc3ccc(Cl)cc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	2	"440812237"	NA
"767783"	767783	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2Oc3ccc(OC)cc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	1	"440803387"	NA
"767784"	767784	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2OCc3ccccc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	2	"440809509"	NA
"767826"	767826	""	"CCC(C)[C@H](NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)OC"	0	NA	NA	2	1	"440806732"	NA
"767838"	767838	"6-Nitro-2-(3-chloropropyl)-1H-benz[de]isoquinoline-1,3-d..."	"[O-][N+](=O)c1ccc2C(=O)N(CCCCl)C(=O)c3cccc1c23"	0	NA	NA	1	1	"440801196"	NA
"767874"	767874	"4-chloro-2-[5-(2-chlorophenyl)-1h-pyrazol-3-yl]phenol"	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccccc3Cl"	0	NA	NA	1	1	"440803398"	NA
"767896"	767896	"LY-2940680"	"CN(C1CCN(CC1)c2nnc(c3ccnn3C)c4ccccc24)C(=O)c5ccc(F)cc5C(F)(F)F"	0	"SMO"	"Clinical trial"	2	1	"-1"	"1258861209"
"767897"	767897	"BPR1J-097"	"CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4cccc(NS(=O)(=O)c5ccccc5)c4"	0	"PK:FLT,FLT3"	"Clinical trial"	2	2	"-1"	"1327167190"
"767898"	767898	"ipatasertib"	"CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	"-1"	"1001264896"
"767951"	767951	"GSK-1904529A"	"CCc1cc(Nc2nccc(n2)c3c(nc4ccccn34)c5ccc(OC)c(c5)C(=O)Nc6c(F)cccc6F)c(OC)cc1N7CCC(CC7)N8CCN(CC8)S(=O)(=O)C"	0	"PK:IGF1R"	"Clinical trial"	2	1	"-1"	"1089283497"
"767952"	767952	"rocilinostat"	"ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"1316214524"
"767953"	767953	"R-1530"	"COc1cc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2cc1F"	0	"PK:PDGFR,CDK,FGFR,VEGFR,KDR,Multikinase"	"Clinical trial"	2	2	"-1"	"882531875"
"767954"	767954	"EMD-1204831"	"Cn1cc(cn1)C2=NN(Cc3cccc(c3)c4ncc(OCCN5CCOCC5)cn4)C(=O)C=C2"	0	"PK:MET"	"Clinical trial"	2	2	"-1"	"1100598159"
"767972"	767972	""	"Nc1c(C#N)c2CCCCn2c1C(=O)c3ccc4OCCOc4c3"	0	NA	NA	2	2	"440812247"	NA
"767978"	767978	""	"COc1ccc(cc1)c2noc(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440795497"	NA
"767979"	767979	""	"COc1ccc(cc1)c2[nH]nc(N)c2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440803405"	NA
"767980"	767980	""	"COc1ccc(cc1)c2[nH]nnc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440809520"	NA
"767985"	767985	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc5OCOc5c4"	0	NA	NA	1	1	"440801201"	NA
"767986"	767986	""	"COc1ccc(cc1)c2cnnn2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440801202"	NA
"767991"	767991	""	"COc1ccc(cc1OC)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	1	1	"440795500"	NA
"768002"	768002	""	"COc1cccc(c1)C2C(=C(N)Oc3cc(OC)ccc23)C#N"	0	NA	NA	2	2	"440801208"	NA
"768003"	768003	""	"COc1ccc(cc1)c2nc([nH]c2c3ccc(OC)cc3)c4cc(OC)cc(OC)c4"	0	NA	NA	1	1	"440803407"	NA
"768012"	768012	""	"CCN(Cc1c(F)cccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440795504"	NA
"768013"	768013	""	"CCN(Cc1c(Cl)cccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440797747"	NA
"768014"	768014	""	"CCN(Cc1c(F)cccc1C(F)(F)F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440803408"	NA
"768015"	768015	""	"CCN(Cc1c(F)cccc1OC)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806738"	NA
"768016"	768016	""	"OCc1ccc(cc1Cl)N2CCC2c3ccc(F)cc3"	0	NA	NA	2	2	"440814967"	NA
"768017"	768017	""	"OCc1ccc(cc1Cl)N2CCCC2c3ccccc3"	0	NA	NA	2	2	"440801210"	NA
"768018"	768018	""	"CCN(Cc1ccccc1C)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440809524"	NA
"768019"	768019	""	"CCN(Cc1ccccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440803409"	NA
"768020"	768020	""	"CCN(Cc1ccccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440806739"	NA
"768021"	768021	""	"CCN(Cc1ccccc1OC)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	"440809525"	NA
"768022"	768022	""	"CCN(C(C)c1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	1	1	"440806740"	NA
"768023"	768023	""	"OCc1ccc(cc1Cl)N2CCc3ccccc3C2"	0	NA	NA	2	2	"440814968"	NA
"768025"	768025	""	"OCc1ccc(cc1Cl)N2CCc3cccc(F)c3C2"	0	NA	NA	2	2	"440803410"	NA
"768051"	768051	""	"FC(F)(F)c1ccc(cc1)c2cnc(nc2NC3CCCCCC3)C#N"	0	NA	NA	1	1	"440797748"	NA
"768068"	768068	"Cobimetinib (isomer 1)"	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	"-1"	"934660932"
"768069"	768069	"Cobimetinib (isomer 1)"	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@H]4CCCCN4"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	"-1"	NA
"768070"	768070	"enantiomer of PF-4176340"	"CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12"	0	"PK:AKT"	"Clinical trial"	2	2	"-1"	"1004990286"
"768071"	768071	"enantiomer of PF-4176340"	"CCc1c[nH]c2ncnc(N3CC[C@@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12"	0	"PK:AKT"	"Clinical trial"	2	1	"-1"	NA
"768072"	768072	"TAK-960"	"COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc3ncc4N(C)C(=O)C(F)(F)CN(C5CCCC5)c4n3"	0	"PK:PLK1"	"Clinical trial"	2	2	"-1"	"1137868520"
"768073"	768073	"LY-2835219"	"CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)CC1"	0	"PK:PIM1,CDK,CDK4,CDK6"	"FDA approved"	2	2	"-1"	"1231929977"
"768093"	768093	"1,3-diphenylbenzo[e]-[1,2,4]triazin-7(1h)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccc3)c4ccccc4"	0	NA	NA	2	2	"440800811"	NA
"768098"	768098	"stk066211"	"O=C(COc1ccccc1)NNc2ccccc2"	0	NA	NA	3	3	"440797318"	NA
"768100"	768100	"SAR-245409"	"COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(NC(=O)c5ccc(C)c(OC)c5)cc4)cc(OC)c1"	0	"PK:PIK3"	"Clinical trial"	1	1	"-1"	"1123889871"
"768102"	768102	"Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-..."	"COc1cc(OC)c2C(=O)[C@]3(Oc2c1Cl)[C@H](C)CC(=O)C=C3OCc4ccccc4"	0	NA	NA	1	1	"440811862"	"888042135"
"768112"	768112	"SAR-402674"	"CNCCN1C(=O)c2cc(OC)c(OC)cc2c3cnc4cc5OCOc5cc4c13"	0	"TOP1"	"Clinical trial"	2	2	"-1"	"529488286"
"768123"	768123	"2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin..."	"COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2"	0	NA	NA	2	2	"440814581"	NA
"768124"	768124	""	"COc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1"	0	NA	NA	1	1	"440808498"	NA
"768126"	768126	""	"CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(NS(=O)(=O)C)c3"	0	NA	NA	1	1	"440814582"	NA
"768136"	768136	"(S)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid..."	"COc1cc2nc(nc(N)c2cc1OC)N3CCC[C@H](C3)NC4=CC(=O)c5ccccc5C4=O"	0	NA	NA	1	1	"440808499"	NA
"768137"	768137	"(R)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid..."	"COc1cc2nc(nc(N)c2cc1OC)N3CCC[C@@H](C3)NC4=CC(=O)c5ccccc5C4=O"	0	NA	NA	2	2	"440814583"	NA
"768313"	768313	"3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie..."	"COc1cccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c1"	0	NA	NA	2	2	"440797326"	NA
"768314"	768314	"3-amino-N-(3-bromophenyl)-5-oxo-5,6,7,8-tetrahydrothieno..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	"440795052"	NA
"768400"	768400	"2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[..."	"COc1cc(cc(OC)c1OC)c2cc([nH]n2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	"440811875"	NA
"768407"	768407	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(4-methoxyphenyl)-1H-py..."	"COc1ccc(cc1)c2cc(\C=C\C(=O)c3ccc(OC)c(OC)c3)[nH]n2"	0	NA	NA	1	1	"440808512"	NA
"768410"	768410	"2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluor..."	"Fc1ccc2[nH]c(nc2c1)c3cc(n[nH]3)c4ccc5OCOc5c4"	0	NA	NA	2	2	"440797338"	NA
"768465"	768465	""	"CCOC(=O)c1ccc2c(c1)nc(\C=C\c3ccc(Cl)cc3)n2c4cc([nH]n4)C(C)(C)C"	0	NA	NA	1	1	"440806369"	NA
"768473"	768473	""	"Clc1ccc(\C=C\C(=O)\C=C\C2=Cc3ccccc3NC2=O)cc1"	0	NA	NA	1	1	"440795064"	NA
"768488"	768488	""	"COc1ccc(cc1)N(Cc2cc(OC)c(OC)c(OC)c2)C3OC(=O)c4ccccc34"	0	NA	NA	2	2	"440800836"	NA
"768508"	768508	"GSK-2636771"	"Cc1c(Cn2c(C)nc3c(cc(cc23)N4CCOCC4)C(=O)O)cccc1C(F)(F)F"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1372540254"
"768509"	768509	"SNX-5422"	"CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(=O)N)c(N[C@@H]4CC[C@H](CC4)OC(=O)CN)c3"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"908115275"
"768539"	768539	"IDH1-Comp 301"	"Cc1ccccc1C(N(C(=O)CNc2ncccc2F)c3cccc(F)c3)C(=O)NC4CCCCC4"	0	"IDH1"	"Clinical trial"	2	2	"-1"	"1355324876"
"768557"	768557	""	"Cc1ccn2c(c(C)nc2c1)c3csc(Nc4cccc(O)c4)n3"	0	NA	NA	2	2	"440803011"	NA
"768562"	768562	""	"NC1=C(C#N)C(c2cccs2)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	"440811892"	NA
"768565"	768565	""	"COc1ccc(cc1)c2cnoc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	1	"440814610"	NA
"768567"	768567	""	"COc1c(OC)c(cc2OCOc12)C3CC(=O)Nc4c3cnn4Cc5occc5"	0	NA	NA	2	1	"440797354"	NA
"768570"	768570	""	"COc1cc(cc(OC)c1OC)C2CC(=O)c3c(C)nn(c3C2)c4nc5ccccc5[nH]4"	0	NA	NA	1	1	"440803015"	NA
"768571"	768571	""	"COc1ccc(cc1)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	"440797355"	NA
"768572"	768572	""	"Cc1nn(c2NC(=O)CC(c3ccc4OCOc4c3)c12)c5nc6ccccc6[nH]5"	0	NA	NA	2	2	"440814611"	NA
"768573"	768573	""	"COc1ccc(cc1OC)C(=O)c2sc3nc(ccc3c2N)c4ccccc4OC"	0	NA	NA	1	1	"440800846"	NA
"768574"	768574	""	"COc1ccc(cc1OC)C(=O)c2sc3nc4CCCCc4cc3c2N"	0	NA	NA	1	1	"440808531"	NA
"768584"	768584	""	"COc1cccc(C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4)c1OC"	0	NA	NA	2	2	"440806374"	NA
"768585"	768585	""	"COc1ccc(cc1OC)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	"440806375"	NA
"768586"	768586	""	"Cc1ccc(C(=O)c2sc3nc4CCCCc4cc3c2N)c(C)c1"	0	NA	NA	2	2	"440795074"	NA
"768587"	768587	""	"COc1ccc(OC)c(c1)C(=O)c2oc3ccc(Br)cc3c2N"	0	NA	NA	2	2	"440814613"	NA
"768591"	768591	""	"COc1ccc(cc1)c2cn[nH]c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440808535"	NA
"768592"	768592	""	"COc1ccc(cc1)c2oncc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440800847"	NA
"768593"	768593	"CEP-9722"	"COc1cccc2[nH]c3c4CCCc4c5C(=O)N(CN6CCN(C)CC6)C(=O)c5c3c12"	0	"PARP1"	"Clinical trial"	2	1	"-1"	"916574839"
"768600"	768600	"(E)-1-(4-methoxyphenyl)-3-(4-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)C(=O)\C=C\c2ccc(\C=C\c3cc(OC)c(OC)c(OC)c3)cc2"	0	NA	NA	1	1	"440800849"	NA
"768637"	768637	"(R)-2-chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfon..."	"CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)NCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)c(Cl)c2)c5ncn(C(C)C)c5n1"	0	NA	NA	2	2	"440814615"	NA
"768649"	768649	"2-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)-7-(3-(..."	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	"440806379"	NA
"771426"	771426	"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-cyclopropyl-4,5..."	"COc1ccc(cc1OC2CCCC2)c3nc(c4ccccc4)c(c5ccccc5)n3C6CC6"	0	NA	NA	1	1	"440795085"	NA
"771434"	771434	"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-4,5-diphenyl-1H-i..."	"COc1ccc(cc1OC2CCCC2)c3nc(c4ccccc4)c([nH]3)c5ccccc5"	0	NA	NA	1	1	"440795086"	NA
"771442"	771442	""	"COC1=NC2=C(C(C=C(N2)c3ccc(OC)cc3)c4ccc(Oc5ccnc6cc(Cl)ccc56)c(OC)c4)C(=O)N1"	0	NA	NA	1	1	"440795088"	NA
"771458"	771458	""	"COc1ccc(cc1)C2=NNC(C2)c3sc(Cl)nc3Cl"	0	NA	NA	1	1	"440808549"	NA
"771480"	771480	""	"COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	"440806389"	NA
"771483"	771483	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)c4cc(nc5N=C(N)NC(=O)c45)c6cc(OC)c(OC)c(OC)c6"	0	NA	NA	1	1	"440797375"	NA
"771508"	771508	""	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440808558"	NA
"771512"	771512	""	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440814629"	NA
"771516"	771516	""	"Oc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440795096"	NA
"771531"	771531	"RG-7112"	"CCOc1cc(ccc1C2=N[C@@](C)(c3ccc(Cl)cc3)[C@](C)(N2C(=O)N4CCN(CCS(=O)(=O)C)CC4)c5ccc(Cl)cc5)C(C)(C)C"	0	"MDM2"	"Clinical trial"	2	2	"-1"	NA
"771532"	771532	"GDC-0349"	"CCNC(=O)Nc1ccc(cc1)c2nc3CN(CCc3c(n2)N4CCOC[C@@H]4C)C5COC5"	0	"PK:MTOR,PIM3"	"Clinical trial"	2	2	"-1"	"1207360891"
"771536"	771536	"3-amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	"440795100"	NA
"771538"	771538	"3-amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro..."	"COc1cccc(NC(=O)c2sc3nc4CCCC(O)c4cc3c2N)c1"	0	NA	NA	2	2	"440803031"	NA
"771539"	771539	"3-amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydroth..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	"440800861"	NA
"771540"	771540	"3-amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrot..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	2	2	"440803032"	NA
"771546"	771546	"3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah..."	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	"440806396"	NA
"771550"	771550	"3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothie..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	"440795103"	NA
"771556"	771556	"3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie..."	"COc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	"440811909"	NA
"771557"	771557	"3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(F)c4"	0	NA	NA	2	2	"440797384"	NA
"771558"	771558	"3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4Cl"	0	NA	NA	2	2	"440800864"	NA
"771559"	771559	"3-AMINO-N-PHENYL-5,6,7,8-TETRAHYDROTHIENO(2,3-B)QUINOLIN..."	"Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	"440795104"	NA
"771562"	771562	""	"CC1N(CCc2ccccc12)c3ccc(CO)c(Cl)c3"	0	NA	NA	2	2	"440800865"	NA
"771598"	771598	""	"NCCCOc1cc2ccccc2cc1C(=O)NCCOc3nc4ccccc4cc3C(=O)Nc5ccc(Cl)cc5O"	0	NA	NA	2	2	"440795111"	NA
"771644"	771644	"ARQ-621"	"NCCCN([C@H](CC#C)C1=Nc2cc(Cl)ccc2C(=O)N1Nc3ccccc3)C(=O)c4cccc(Cl)c4F"	0	"CDH16|KIF11"	"Clinical trial"	2	2	"-1"	NA
"771650"	771650	"AT-13148"	"NC[C@@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3cn[nH]c3"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	3	3	"-1"	NA
"771651"	771651	"VX-322"	"Nc1nc(Nc2ccc(cc2)[C@@H]3CC[C@H](CC3)N4CCOCC4)nn1c5ccccn5"	0	"PK:FLT,KIT,FLT3"	"Clinical trial"	2	2	"-1"	NA
"771652"	771652	"SAR-125844"	"Fc1ccc(cc1)c2ccc3nnc(Sc4ccc5nc(NC(=O)NCCN6CCOCC6)sc5c4)n3n2"	0	"PK:MET"	"Clinical trial"	2	2	"-1"	"1116743464"
"771657"	771657	"N-(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-N'-(4-fluorop..."	"Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(n3)c5cccs5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	"440803042"	NA
"771660"	771660	"(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-(4-morpholin-4-..."	"Cc1nc2cc(Nc3nc(nc(n3)N4CCOCC4)N5CCCCC5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	"440806403"	NA
"771717"	771717	"7-(2-chlorophenyl)-2-methoxy-3-(phenylsulfonyl)-6,7-dihy..."	"COc1nc2c(CCc3c2cnn3c4ccccc4Cl)cc1S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	"440814649"	NA
"771750"	771750	"LY-2874455"	"C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl"	0	"PK:FGFR,VEGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"Clinical trial"	2	2	"-1"	"1254473647"
"771762"	771762	"{2-[4-(7-chloro-quinolin-4-yl)-piperazin-1-yl]-pyrmidin-..."	"COc1cc(Nc2ccnc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc(OC)c1"	0	NA	NA	2	2	"440795126"	NA
"771787"	771787	""	"COc1ccc(cc1OC)C(=O)c2sc3nc(ccc3c2N)c4cccs4"	0	NA	NA	1	1	"440806412"	NA
"771790"	771790	""	"COc1ccc(cc1)c2[nH]ncc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	1	"440806414"	NA
"771791"	771791	""	"COc1ccc(cc1)c2oncc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	"440795128"	NA
"771795"	771795	""	"Cc1nc2sccn2c1c3csc(Nc4cccc(Cl)c4C)n3"	0	NA	NA	1	1	"440808584"	NA
"771796"	771796	""	"COc1cc(cc(Br)c1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N"	0	NA	NA	1	1	"440814655"	NA
"771803"	771803	""	"Cc1ccc(cc1)S(=O)(=O)Nc2cccc3nc([nH]c23)C(F)(F)F"	0	NA	NA	2	2	"440795131"	NA
"771807"	771807	""	"COc1ccc(cc1OC)c2cc(O)n(n2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	"440797404"	NA
"771820"	771820	""	"COc1cc(cc(OC)c1O)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	"440808587"	NA
"771827"	771827	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(Cl)c4"	0	NA	NA	2	2	"440803066"	NA
"771829"	771829	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc(F)cc4"	0	NA	NA	2	2	"440795135"	NA
"771835"	771835	"2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propyl-1,4-dihydropyr..."	"CCCC1=CC(=O)N=C(N1)n2nc(C)cc2C"	0	NA	NA	1	1	"440806418"	NA
"771858"	771858	"TAK-441"	"CCC1=Cc2c(C(=O)N1CC(=O)c3ccccc3)c(OCC(F)(F)F)c(C(=O)NC4CCN(CC4)C(=O)CO)n2C"	0	"SMO"	"Clinical trial"	2	1	"-1"	"1186231833"
"772196"	772196	"Lestaurtinib"	"C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35"	0	"PK:YK,FLT,NTRK,FLT3,JAK2"	"Clinical trial"	2	2	"-1"	"111358884"
"772197"	772197	"LY-2801653"	"CC1=CC=C(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3c5cn[nH]c5)c(F)c2)C(=O)N1c6ccc(F)cc6"	0	"PK:MET,AXL,FLT3,MERTK,MST1R,Multikinase"	"Clinical trial"	2	2	"-1"	"1206799156"
"772198"	772198	"LY-2090314"	"Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c5cnc6ccccn56)c(c1)c23)C(=O)N7CCCCC7"	0	"PK:GSK3A,GSK3B"	"Clinical trial"	2	2	"-1"	"603288228"
"772205"	772205	""	"CC(C)C[C@H](NC(=O)CN1C=CC(=CC1=O)Nc2ccccc2)B(O)O"	0	NA	NA	1	1	"440808592"	NA
"772209"	772209	""	"CC(C)C[C@H](NC(=O)CCN1C=Cc2ncccc2C1=O)B(O)O"	0	NA	NA	2	2	"440800885"	NA
"772254"	772254	"ARRY-520 Isomer A"	"CON(C)C(=O)N1N=C(SC1(CCCN)c2ccccc2)c3cc(F)ccc3F"	0	"CDH16"	"Clinical trial"	2	2	"-1"	NA
"772255"	772255	"ARRY-520 Isomer A"	"CON(C)C(=O)N1N=C(SC1(CCCN)c2ccccc2)c3cc(F)ccc3F"	0	"CDH16"	"Clinical trial"	2	2	"-1"	NA
"772257"	772257	"(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-be..."	"Cn1c(\C=C\2/Oc3ccccc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	"440814661"	NA
"772258"	772258	"(Z)-5-Chloro-2-(1-methyl-5-nitroimidazole-2-ylmethylene)..."	"Cn1c(\C=C\2/Oc3ccc(Cl)cc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	"440806427"	NA
"772259"	772259	"(Z)-5-Bromo-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-..."	"Cn1c(\C=C\2/Oc3ccc(Br)cc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	"440795143"	NA
"772260"	772260	"(Z)-7-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1cccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc12"	0	NA	NA	2	2	"440800889"	NA
"772261"	772261	"(Z)-5-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1ccc2O\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	2	"440806428"	NA
"772262"	772262	"(Z)-7-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"Cc1cccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc12"	0	NA	NA	2	2	"440800890"	NA
"772264"	772264	"(Z)-5-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cc1ccc2O\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	2	"440800891"	NA
"772265"	772265	"(Z)-6-Chloro-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cn1c(\C=C\2/Oc3cc(Cl)ccc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	"440800892"	NA
"772266"	772266	"(Z)-6,7-Dimethoxy-2-(1-methyl-5-nitroimidazole-2-ylmethy..."	"COc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc2c1OC"	0	NA	NA	2	2	"440806429"	NA
"772268"	772268	"(Z)-7-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cc1cccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc12"	0	NA	NA	2	2	"440806430"	NA
"772271"	772271	"(Z)-5-Bromo-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzofu..."	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccc(Br)cc3C2=O)cc1"	0	NA	NA	1	1	"440806432"	NA
"772274"	772274	"(Z)-6-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc2c1"	0	NA	NA	2	2	"440803073"	NA
"772277"	772277	"(Z)-5-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo..."	"COc1ccc2O\C(=C/c3oc(cc3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	2	2	"440806433"	NA
"772278"	772278	"(Z)-6-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo..."	"COc1ccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	2	2	"440803074"	NA
"772279"	772279	"(Z)-6-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"Cc1ccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	1	1	"440808596"	NA
"772280"	772280	"(Z)-5-Chloro-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccc(Cl)cc3C2=O)cc1"	0	NA	NA	2	2	"440814663"	NA
"772281"	772281	"(z)-2-(5-nitrofuran-2-ylmethylene)-3(2h)-benzofuranone"	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccccc3C2=O)cc1"	0	NA	NA	2	2	"440808597"	NA
"772282"	772282	"(z)-2-(5-nitrothiophene-2-ylmethylene)-3(2h)-benzofuranone"	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccccc3C2=O)s1"	0	NA	NA	2	2	"440803075"	NA
"772283"	772283	"(Z)-5-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccc(Cl)cc3C2=O)s1"	0	NA	NA	2	2	"440814664"	NA
"772284"	772284	"(Z)-7-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1cccc2C(=O)\C(=C\c3ccc(s3)[N+](=O)[O-])\Oc12"	0	NA	NA	2	2	"440803076"	NA
"772285"	772285	"(Z)-6-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3cc(Cl)ccc3C2=O)s1"	0	NA	NA	2	2	"440803077"	NA
"772286"	772286	"(Z)-6-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1ccc2C(=O)\C(=C\c3ccc(s3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	2	2	"440811928"	NA
"772287"	772287	"(Z)-5-Bromo-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-ben..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccc(Br)cc3C2=O)s1"	0	NA	NA	2	2	"440811929"	NA
"772288"	772288	"(Z)-5-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1ccc2O\C(=C/c3ccc(s3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	2	2	"440795146"	NA
"772289"	772289	"2-(3-aminopropyl)-7-(3-((2-methoxybenzyl)amino)propyl)be..."	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	1	"440795147"	NA
"772290"	772290	"Pelitrexol isomer A"	"Cc1cc(sc1CCC2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	"-1"	NA
"772291"	772291	"Pelitrexol isomer B"	"Cc1cc(sc1CCC2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	"-1"	NA
"772296"	772296	"imap"	"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5"	0	NA	NA	1	1	"440811930"	"1841196"
"772317"	772317	""	"CC1=CC(=O)N2N=Nc3c(ccc4ccccc34)N12"	0	NA	NA	1	1	"440808602"	NA
"772330"	772330	""	"Fc1ccc(Nc2c(cnc3ccc(NCc4c[nH]cn4)cc23)C#N)cc1Cl"	0	NA	NA	1	1	"440811932"	NA
"772341"	772341	""	"c1cccc2c1cc1c([N]3=Cc4cc(ccc4[O-][Ni+2]43[N]1=Cc1c(ccc(c1)C[N+](CC)(CC)CC)[O-]4)C[N+](CC)(CC)CC)c2.[Cl](=O)(=O)(=O)[O-].[Cl](=O)(=O)(=O)[O-]"	0	NA	NA	1	1	"441653681"	NA
"772344"	772344	""	"Fc1ccc(cc1Cl)N2N=Nc3c(sc4ccccc34)C2=O"	0	NA	NA	1	1	"440803083"	NA
"772345"	772345	""	"Cc1ccc(cc1)N2N=Nc3c(sc4ccccc34)C2=O"	0	NA	NA	1	1	"440814673"	NA
"772351"	772351	"XL-888"	"CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c4ccc(cn4)C(=O)C5CC5)c(C)cc1C(=O)N"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"1149705714"
"772438"	772438	""	"NC(=N)c1ccc(cc1F)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	"440814680"	NA
"772451"	772451	"(r)-methyl 2-cinnamamido-3-(1h-indol-3-yl)propanoate"	"COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c3ccccc3"	0	NA	NA	1	1	"440803090"	NA
"772469"	772469	"IPI-145"	"C[C@H](Nc1ncnc2[nH]cnc12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5"	0	"PK:PIK3"	"FDA approved"	2	2	"-1"	"1201438563"
"772488"	772488	"3-amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydroth..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(c4)[N+](=O)[O-]"	0	NA	NA	2	2	"440803092"	NA
"772489"	772489	"3-amino-5-hydroxy-N-(3-(trifluoromethyl)phenyl)-5,6,7,8-..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	"440814683"	NA
"772490"	772490	"3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrot..."	"Cc1ccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)cc1C"	0	NA	NA	2	2	"440803093"	NA
"772491"	772491	"3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno..."	"CCc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	"440808613"	NA
"772494"	772494	"3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahy..."	"CCc1cccc(C)c1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	"440811939"	NA
"772496"	772496	"3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrot..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Cl)c4Cl"	0	NA	NA	1	1	"440803094"	NA
"772499"	772499	"Vatalanib"	"n1nc(c2c(c1Cc1ccncc1)cccc2)Nc1ccc(cc1)Cl.C(CC(=O)O)C(=O)O"	0	"CYP19A1|PK:YK,PDGFR,KIT,VEGFR,KDR"	"Clinical trial"	2	1	"-1"	"212142182"
"772533"	772533	""	"COc1cccc(c1)n2cc(nn2)c3nc(Nc4cc(C)[nH]n4)c5ccccc5n3"	0	NA	NA	2	2	"440797428"	NA
"772536"	772536	""	"CC#CC1=Nc2ccccc2C(=O)N1"	0	NA	NA	1	1	"440806445"	NA
"772537"	772537	""	"Cc1cc(Nc2nc(nc3ccccc23)C#C)n[nH]1"	0	NA	NA	2	1	"440808614"	NA
"772538"	772538	""	"O=C1NC(=Nc2ccccc12)C#C"	0	NA	NA	2	2	"440808615"	NA
"772541"	772541	""	"Cc1cc(Nc2nc(nc3ccccc23)c4cccnc4)n[nH]1"	0	NA	NA	2	2	"440795158"	NA
"772542"	772542	""	"Cc1cc(Nc2nc(nc3ccccc23)c4ccncc4)n[nH]1"	0	NA	NA	1	1	"440803096"	NA
"772543"	772543	""	"Cc1cc(Nc2nc(nc3ccccc23)c4ccc(F)cc4)n[nH]1"	0	NA	NA	2	2	"440800904"	NA
"772544"	772544	""	"COc1ccc(cc1)c2nc(Nc3cc(C)[nH]n3)c4ccccc4n2"	0	NA	NA	2	2	"440797431"	NA
"772545"	772545	""	"CCOC(=O)N1CCN(CC1)c2nc(Nc3cc(C)[nH]n3)c4ccccc4n2"	0	NA	NA	1	1	"440800905"	NA
"772548"	772548	""	"Cc1cc(Nc2nc(nc3ccccc23)C(=O)Nc4ccccc4)n[nH]1"	0	NA	NA	1	1	"440806446"	NA
"772555"	772555	""	"Cc1cc(Nc2nc(nc3ccccc23)N4CCOCC4)n[nH]1"	0	NA	NA	1	1	"440800906"	NA
"772557"	772557	""	"Cc1cc(Nc2nc(nc3ccccc23)c4cn(nn4)c5ccc(Cl)cc5)n[nH]1"	0	NA	NA	1	1	"440814688"	NA
"772561"	772561	"3-(3,5-dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)p..."	"Cc1onc(C)c1c2cc(O)cc(c2)C(O)c3ccccc3"	0	NA	NA	1	1	"440797433"	NA
"772563"	772563	"ARRY-704"	"CN1C(=O)C(=CC(=C1Nc2ccc(I)cc2F)C(=O)NOCCO)C"	0	"PK:MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	"-1"	"869357686"
"772564"	772564	"IDH-C227"	"Cc1ccccc1C(N(C(=O)CNc2ccc(cc2)C#N)c3cccc(F)c3)C(=O)NC4CCCCC4"	0	"IDH1"	"Clinical trial"	2	2	"-1"	"1355324149"
"772595"	772595	"KPT-185"	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)OC(C)C)n2"	0	"XPO1"	"Clinical trial"	2	2	"-1"	"1333151737"
"772637"	772637	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(F)c4"	0	NA	NA	1	1	"440811945"	NA
"772643"	772643	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccccc4Cl"	0	NA	NA	1	1	"440803102"	NA
"772654"	772654	""	"Nc1nonc1c2nc3ccccc3n2CC(=O)Nc4ccc(F)cc4F"	0	NA	NA	1	1	"440814692"	NA
"772664"	772664	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccc(F)cc4"	0	NA	NA	1	1	"440806456"	NA
"772665"	772665	""	"COc1cc(NC(=O)Cn2c(nc3ccccc23)c4nonc4N)cc(OC)c1OC"	0	NA	NA	1	1	"440795168"	NA
"772666"	772666	""	"COc1cccc(Cn2c(nc3ccccc23)c4nonc4NC(=O)C)c1"	0	NA	NA	1	1	"440803104"	NA
"772801"	772801	""	"COc1ccc(\C=C\C(=N\OCC(=O)Nc2ccc(Cl)cc2)\C)cc1"	0	NA	NA	2	1	"440806469"	NA
"772810"	772810	""	"COc1ccc(cc1)S(=O)(=O)NCCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	"440808629"	NA
"772811"	772811	""	"Cc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	"440814706"	NA
"772812"	772812	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc6ccccc6c5)n4"	0	NA	NA	1	1	"440806473"	NA
"772813"	772813	""	"Oc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	"440795180"	NA
"772816"	772816	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"440811961"	NA
"772821"	772821	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	2	1	"440803115"	NA
"772823"	772823	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc6OCCOc6c5)c4"	0	NA	NA	1	1	"440795181"	NA
"772825"	772825	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440795182"	NA
"772827"	772827	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440803116"	NA
"772828"	772828	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440811962"	NA
"772839"	772839	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	1	1	"440795183"	NA
"772840"	772840	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc6OCCOc6c5)c4"	0	NA	NA	1	1	"440797450"	NA
"772842"	772842	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(Cl)c(Cl)c5)c4"	0	NA	NA	1	1	"440797451"	NA
"772843"	772843	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440800930"	NA
"772844"	772844	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"440800931"	NA
"772847"	772847	""	"O=C1Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C4=C1CCCCC4"	0	NA	NA	1	1	"440811964"	NA
"772850"	772850	""	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	"440800934"	NA
"772852"	772852	""	"O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)C34CC5CC(CC(C5)C3)C4"	0	NA	NA	1	1	"440797452"	NA
"772868"	772868	"LCL-161"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)C(=O)c4ccc(F)cc4"	0	"IAP"	"Clinical trial"	2	2	"-1"	"1005342460"
"772885"	772885	"PF-4942847"	"Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1c3nc(N)nc4CN(Cc34)C(=O)NCC(C)(F)F"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"1207961338"
"772886"	772886	"Apatinib"	"O=C(Nc1ccc(cc1)C2(CCCC2)C#N)c3cccnc3NCc4ccncc4"	0	"PK:VEGFR"	"Clinical trial"	2	1	"-1"	"1218779759"
"772887"	772887	"XL-019"	"O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C5CCCN5"	0	"PK:JAK,JAK2"	"Clinical trial"	2	2	"-1"	"945750130"
"772920"	772920	"ONX-0805"	"C(CN1CCCC1)Oc2ccc3Nc4nccc(n4)c5oc(COC\C=C\COCc2c3)cc5"	0	"PK:JAK,JAK2"	"Clinical trial"	2	1	"-1"	"937273046"
"772991"	772991	"PKM2 (9)"	"COc1ccccc1N2CCN(CC2)C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3"	0	"PKM"	"Clinical trial"	2	2	"-1"	"1260074869"
"772992"	772992	"Fostamatinib"	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(=O)(O)O)c4n3)n2)cc(OC)c1OC"	0	"Ds|Rs|PK:YK,SYK"	"Clinical trial"	2	2	"-1"	"914295162"
"773076"	773076	""	"COc1ccc(Nc2nccc(n2)N3CCN(CC3)c4c5ccc(Cl)cc5nc6ccc(OC)cc46)cc1"	0	NA	NA	1	1	"440814725"	NA
"773094"	773094	"R-547"	"COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:CDK,CDK1,CDK2,CDK4"	"Clinical trial"	2	2	"-1"	"741713406"
"773096"	773096	"IDH-C35"	"Cc1ccccc1C(N(C(=O)Cn2ccnc2C)c3cccc(F)c3)C(=O)NC4CCCCC4"	0	"IDH1"	"Clinical trial"	2	1	"-1"	"1355326350"
"773097"	773097	"(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2ccc(s2)c3oc(CO)cc3"	0	NA	NA	2	2	"440806496"	NA
"773102"	773102	"8-Ethoxy-4-hydroxy-3-[1,3,4]oxadiazol-2-yl-6-phenyl-2H-[..."	"CCOc1nc(cc2C(=C(NC(=O)c12)c3ocnn3)O)c4ccccc4"	0	NA	NA	2	2	"440800948"	NA
"773148"	773148	"2-ethyl-7-(3-((2-methoxybenzyl)amino)propyl)benzo[lmn][3..."	"CCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	2	2	"440797465"	NA
"773177"	773177	"(E)-N-((E)-3-((1-methyl-1H-pyrrol-2-yl)methylene)-2-oxoi..."	"COc1cc(\C=C\C(=O)Nc2ccc3NC(=O)\C(=C\c4cccn4C)\c3c2)cc(OC)c1OC"	0	NA	NA	1	1	"440811989"	NA
"773187"	773187	"(E)-1-(6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]t..."	"COc1cc(\C=C\C(=O)c2c(nc3sc(C)nn23)c4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	1	1	"440806499"	NA
"773189"	773189	"(E)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3ccc(OC(F)(F)F)cc3)c1OC"	0	NA	NA	1	1	"440806500"	NA
"773195"	773195	"9,10-dimethoxy-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d..."	"COc1cc2c(C#N)n3c4ccccc4OC(C(=O)c3c2cc1OC)c5ccccc5"	0	NA	NA	1	1	"440795208"	NA
"773201"	773201	""	"COc1cc(C2=NN(C(O2)c3ccc(OC(=O)C)cc3OC(=O)C)C(=O)C)c(OC(=O)C)c4ccccc14"	0	NA	NA	2	2	"440808654"	NA
"773204"	773204	"3,4,5-trihydroxy-n-(4-phenyl-thiazol-2-yl)-benzamide"	"Oc1cc(cc(O)c1O)C(=O)Nc2nc(cs2)c3ccccc3"	0	NA	NA	1	1	"440803138"	NA
"773205"	773205	"3,4,5-Trihydroxy-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-b..."	"COc1ccc(cc1)c2csc(NC(=O)c3cc(O)c(O)c(O)c3)n2"	0	NA	NA	1	1	"440803139"	NA
"773206"	773206	"N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4,5-trihydroxy-be..."	"Oc1cc(cc(O)c1O)C(=O)Nc2nc(cs2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440797469"	NA
"773228"	773228	""	"COc1ccccc1c2c(C)nn3c(NCc4ccccn4)cc(C)nc23"	0	NA	NA	2	2	"440795213"	NA
"773230"	773230	"AZD-2461"	"COC1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F"	0	"PARP1|PARP2"	"Clinical trial"	2	1	"-1"	"1174043163"
"773241"	773241	""	"COc1cc2C(=CC(=O)Oc2c(C)c1OC)c3nc4cc(Cl)c(F)cc4s3"	0	NA	NA	2	1	"440814737"	NA
"773242"	773242	""	"COc1c(Cl)ccc2C(=CC(=O)Oc12)c3nc4cc(Cl)c(F)cc4s3"	0	NA	NA	2	2	"440800957"	NA
"773260"	773260	"KPT-251"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/c3ocnn3)n2"	0	"XPO1"	"Clinical trial"	2	2	"-1"	"1388841506"
"773261"	773261	"GSK-921"	"CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2"	0	"CDH16|KIF11"	"Clinical trial"	2	2	"-1"	"940929339"
"773262"	773262	"VX-689"	"OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc4cccc(Cl)c4F"	0	"PK:AURK"	"Clinical trial"	2	2	"-1"	"1010085138"
"773263"	773263	"Bafetinib"	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4ncc(cn4)c5cncnc5)c3)C1"	0	"BCR-ABL|PK:YK,FYN,LYN"	"Clinical trial"	2	2	"-1"	"887650057"
"773264"	773264	"R-306465"	"ONC(=O)c1cnc(nc1)N2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3"	0	"HDAC"	"Clinical trial"	2	2	"-1"	"604769019"
"773265"	773265	"B-7100"	"COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"848695250"
"773277"	773277	"5-chloro-2-(2-phenoxyacetamido)benzamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)COc2ccccc2"	0	NA	NA	1	1	"440800958"	NA
"773278"	773278	"5-iodo-2-(2-phenoxyacetamido)benzamide"	"NC(=O)c1cc(I)ccc1NC(=O)COc2ccccc2"	0	NA	NA	2	2	"440811992"	NA
"773279"	773279	"5-methoxy-2-(2-phenoxyacetamido)benzamide"	"COc1ccc(NC(=O)COc2ccccc2)c(c1)C(=O)N"	0	NA	NA	2	2	"440797471"	NA
"773280"	773280	"4,5-dimethoxy-2-(2-phenoxyacetamido)benzamide"	"COc1cc(NC(=O)COc2ccccc2)c(cc1OC)C(=O)N"	0	NA	NA	1	1	"440803142"	NA
"773315"	773315	"4-bromo-n'-butylbenzohydrazide"	"CCCCNNC(=O)c1ccc(Br)cc1"	0	NA	NA	2	2	"440800964"	NA
"773319"	773319	""	"Oc1ccccc1NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2"	0	NA	NA	2	1	"440808660"	NA
"773381"	773381	""	"CN1CCc2c(Sc3ccc(cc3)C(=O)NO)c4ccccc4n2C1"	0	NA	NA	2	1	"440797480"	NA
"773382"	773382	""	"CN1CCc2c(Sc3ccc(cc3)C(=O)NO)c4cc(C)ccc4n2C1"	0	NA	NA	2	1	"440797481"	NA
"773383"	773383	""	"CN1CCn2c(C1=O)c(Sc3ccc(cc3)C(=O)NO)c4ccccc24"	0	NA	NA	2	1	"440800969"	NA
"773385"	773385	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CNC4)C3)c5c(Cl)ccc(F)c5Cl"	0	NA	NA	2	2	"440795220"	NA
"773386"	773386	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CCNCC4)C3)c5c(F)ccc(Cl)c5Cl"	0	NA	NA	2	2	"440811999"	NA
"773388"	773388	""	"Nc1ncnc2c1c(nn2C3CCC4(CC3)CN(C4)C(=O)C=C)c5ccc(Oc6ccccc6)cc5"	0	NA	NA	2	2	"440795221"	NA
"773389"	773389	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CCCNC4)C3)c5c(Cl)ccc(F)c5Cl"	0	NA	NA	2	2	"440797482"	NA
"773392"	773392	"(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2ccc([se]2)c3oc(CO)cc3"	0	NA	NA	2	2	"440797483"	NA
"773393"	773393	"5,5'-(selenophene-2,5-diyl)bis(furan-2-carbaldehyde)"	"O=Cc1oc(cc1)c2ccc([se]2)c3oc(C=O)cc3"	0	NA	NA	2	2	"440806507"	NA
"773394"	773394	"AT-7519"	"Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3"	0	"RNA polymerase I|PK:CDK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	2	2	"-1"	"844442382"
"773409"	773409	""	"CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccccc2"	0	NA	NA	1	1	"440795223"	NA
"774651"	774651	"Cilengitide"	"CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O"	0	"Ang|ITG"	"Clinical trial"	2	2	"-1"	"188968516"
"774702"	774702	""	"COc1ccc(cc1)c2cn[nH]c2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	"440795230"	NA
"774714"	774714	""	"Nc1nonc1c2nc3ccccc3n2Cc4cccc(Br)c4"	0	NA	NA	2	2	"440814746"	NA
"774719"	774719	""	"COc1cc(Cn2c(nc3ccccc23)c4nonc4N)ccc1C"	0	NA	NA	2	2	"440808670"	NA
"774730"	774730	""	"COc1ccc(OC)c(Nc2nc(cs2)c3c(C)nc4sccn34)c1"	0	NA	NA	1	1	"440814748"	NA
"774736"	774736	""	"COc1ccc(cc1)c2cnc3ccnn3c2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440795235"	NA
"774769"	774769	"NMS-E628"	"CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC6CCOCC6)c2"	0	"PK:ROS1,ALK"	"FDA approved"	2	2	"-1"	"1108743607"
"774788"	774788	""	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	"440814751"	NA
"774790"	774790	""	"Fc1ccc(cc1)S(=O)(=O)Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2"	0	NA	NA	2	2	"440812012"	NA
"774816"	774816	"mito-chromanol acetate"	"CC(=O)Oc1c(C)c(C)c2OC(C)(CC(=O)OCCCCCCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)CCc2c1C"	0	NA	NA	2	1	"440806523"	NA
"774818"	774818	""	"CCC(C)CC(C)C(=O)C1=C(O)C=CN(O)C1=O"	0	NA	NA	1	1	"440814754"	NA
"774829"	774829	"I-BET-762"	"CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1260907172"
"774830"	774830	"Milciclib"	"CNC(=O)c1nn(C)c2c3nc(Nc4cccc(c4)N5CCN(C)CC5)ncc3CC(C)(C)c12"	0	"PK:CDK,CDK1,CDK2,CDK4,CDK5,Multikinase"	"Clinical trial"	2	2	"-1"	"802539817"
"774831"	774831	"Rebastinib"	"CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1"	0	"BCR-ABL|PK:LYN,FGFR,SRC,VEGFR,TEK"	"Clinical trial"	2	2	"-1"	"1020172079"
"774841"	774841	""	"COc1ccc(\C=C\2/CN(Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)cc6)\C2=O)cc1"	0	NA	NA	1	1	"440797502"	NA
"774842"	774842	""	"COc1ccc(\C=C\2/CN(Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)c(OC)c6)\C2=O)cc1OC"	0	NA	NA	1	1	"440800987"	NA
"774861"	774861	"N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-6-(4-chloro-..."	"Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(n3)c5ccc(Cl)cc5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	"440795249"	NA
"774862"	774862	"N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-N'-(4-fluoro..."	"COc1ccc(cc1)c2nc(Nc3ccc(F)cc3)nc(Nc4ccc5c(c4)nc(C)n5Cc6ccccc6)n2"	0	NA	NA	1	1	"440797503"	NA
"774901"	774901	"AZD-2858"	"c1(cnccc1)NC(=O)c1c(ncc(n1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N.C(C)S(=O)(=O)O.C(C)S(=O)(=O)O"	0	"Wnt|PK:GSK3A"	"Clinical trial"	2	2	"-1"	"486424208"
"774912"	774912	"(Z)-N1-(3-((1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)..."	"ONC(=O)CCCCCCC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)\c2c1"	0	NA	NA	2	2	"440814758"	NA
"774913"	774913	"(Z)-N1-(3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo..."	"Cc1cc(C)c(\C=C\2/C(=O)Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)[nH]1"	0	NA	NA	2	2	"440795253"	NA
"774914"	774914	"(Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(3-(met..."	"CSCCCNC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)cc3C)\c2c1"	0	NA	NA	1	1	"440806528"	NA
"774918"	774918	"(Z)-N1-(3-((1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)..."	"Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccc3NC(=O)\C(=C/c4ccc[nH]4)\c3c2"	0	NA	NA	1	1	"440797504"	NA
"774933"	774933	"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((3-(methylami..."	"CNCCCNCCCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	1	1	"440795254"	NA
"774934"	774934	"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((4-((3-(methy..."	"CNCCCNCCCCNCCCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	1	1	"440812021"	NA
"774952"	774952	"3-phenyl-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl..."	"FC(F)(F)c1ccc2nc([nH]c2c1)c3nc(c4ccccc4)n5ccccc35"	0	NA	NA	1	1	"440795255"	NA
"774957"	774957	"5,6-dichloro-2-(3-(4-(trifluoromethyl)phenyl)imidazo[1,5..."	"FC(F)(F)c1ccc(cc1)c2nc(c3nc4cc(Cl)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	"440803170"	NA
"774958"	774958	"(Z)-6-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met..."	"COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2"	0	NA	NA	1	1	"440800992"	NA
"774959"	774959	"(Z)-5-methoxy-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)me..."	"COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(OC)cc34)[nH]n2"	0	NA	NA	1	1	"440814765"	NA
"774960"	774960	"(Z)-5-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2"	0	NA	NA	1	1	"440795256"	NA
"774979"	774979	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)-1..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(n[nH]2)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"440812025"	NA
"774980"	774980	"(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5..."	"COc1ccc(cc1OC)c2cc(\C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]n2"	0	NA	NA	1	1	"440797510"	NA
"774981"	774981	"(E)-1-(4-aminophenyl)-3-(3-(3,4-dimethoxyphenyl)-1H-pyra..."	"COc1ccc(cc1OC)c2cc(\C=C\C(=O)c3ccc(N)cc3)[nH]n2"	0	NA	NA	1	1	"440812026"	NA
"774982"	774982	"(E)-5-fluoro-3-((6-(4-methoxyphenyl)-2-(3,4,5-trimethoxy..."	"COc1ccc(cc1)c2nc3sc(nn3c2\C=C/4\C(=O)Nc5ccc(F)cc45)c6cc(OC)c(OC)c(OC)c6"	0	NA	NA	1	1	"440795259"	NA
"774989"	774989	"(E)-5-chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo..."	"Clc1ccc(cc1)c2nc3sc(nn3c2\C=C/4\C(=O)Nc5ccc(Cl)cc45)C6CC6"	0	NA	NA	1	1	"440800998"	NA
"774998"	774998	"(Z)-4-methoxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)ccc2OC"	0	NA	NA	1	1	"440803174"	NA
"775002"	775002	"2-cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethox..."	"COc1ccc(cc1OC)c2c(nc3sc(nn23)C4CC4)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	"440797514"	NA
"775003"	775003	"(E)-3-((6-p-tolyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-..."	"COc1cc(cc(OC)c1OC)c2nn3c(\C=C/4\C(=O)Nc5ccccc45)c(nc3s2)c6ccc(C)cc6"	0	NA	NA	1	1	"440800999"	NA
"775010"	775010	"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-4..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC"	0	NA	NA	1	1	"440808707"	NA
"775011"	775011	"(Z)-4-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c3ccc(Cl)cc3)c1OC"	0	NA	NA	1	1	"440812028"	NA
"775014"	775014	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)S(=O)(=O)Nc2c(O)c(OC)ccc2\C=C/c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440797515"	NA
"775015"	775015	"(Z)-4-chloro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(Cl)cc3)c1O"	0	NA	NA	1	1	"440803178"	NA
"775029"	775029	"3-(benzylthio)-5-(pyridin-3-yl)-8,9,10,11,12,13-hexahydr..."	"C(Sc1nnc2c3c4CCCCCCc4sc3nc(c5cccnc5)n12)c6ccccc6"	0	NA	NA	1	1	"440795266"	NA
"775293"	775293	"N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-N4-(4-methox..."	"COc1ccc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1"	0	NA	NA	1	1	"440795272"	NA
"775294"	775294	"N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(3,5-dimet..."	"COc1cc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc(OC)c1"	0	NA	NA	1	1	"440814777"	NA
"775296"	775296	"N4-(4-chlorophenyl)-N2-(2-((7-chloroquinolin-4-yl)amino)..."	"Clc1ccc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc1"	0	NA	NA	1	1	"440812032"	NA
"775353"	775353	"e/z-norendoxifen"	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN)cc2)\c3ccccc3"	0	NA	NA	2	2	"440812035"	"1217237983"
"775429"	775429	"4-chloro-2-[5-(4-chlorophenyl)-1h-pyrazol-3-yl]phenol"	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440797521"	NA
"775437"	775437	"3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-..."	"Cc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1"	0	NA	NA	1	1	"440797523"	NA
"775440"	775440	"3-amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta..."	"Cc1cccc(NC(=O)c2sc3nc4CCCc4cc3c2N)c1C"	0	NA	NA	1	1	"440795274"	NA
"775441"	775441	"3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thie..."	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	1	1	"440795275"	NA
"775443"	775443	"3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1"	0	NA	NA	1	1	"440801008"	NA
"775444"	775444	"3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4cccc(F)c4)c(N)c3cc2C1"	0	NA	NA	1	1	"440812038"	NA
"775445"	775445	"3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3..."	"COc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1"	0	NA	NA	1	1	"440808717"	NA
"775446"	775446	"3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1"	0	NA	NA	1	1	"440812039"	NA
"775460"	775460	""	"CCN(CC)c1cc(\C=C\c2ccc(OC)c(OC)c2)nc3cc(F)c(F)cc13"	0	NA	NA	1	1	"440795277"	NA
"775463"	775463	""	"Clc1ccc(\C=C\c2cc(N3CCOCC3)c4cc(Cl)c(Cl)cc4n2)cc1"	0	NA	NA	2	2	"440803193"	NA
"775467"	775467	""	"COc1ccc(\C=C\c2nc(N3CCOCC3)c4cc(F)c(F)cc4n2)cc1OC"	0	NA	NA	1	1	"440795279"	NA
"775507"	775507	"14,15-cyclopropano-1-n-formyl-vinorelbine-sulfate"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC"	0	NA	NA	2	2	"440806544"	NA
"775548"	775548	"1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene"	"C(=C(CCCO)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(c1ccc(cc1)O)c1ccc(cc1)O"	0	NA	NA	1	1	"441653642"	NA
"775609"	775609	"14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate"	"CC[C@]1(O)C[C@@H]2CN(Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	2	2	"440808722"	NA
"775632"	775632	"3-Allylsalicylaldehyde"	"Oc1c(CC=C)cccc1C=O"	0	NA	NA	1	1	"440812045"	"24019667"
"775636"	775636	"SCH-772984"	"O=C(CN1CC[C@H](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7"	0	"PK:ERK,MAP3K,MAPK1"	"Clinical trial"	2	2	"-1"	"942183804"
"775637"	775637	"AMD-070"	"NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]3CCCc4cccnc34"	0	"CXCR4"	"Clinical trial"	2	1	"-1"	"558447260"
"775664"	775664	"hemolysin bl proteins"	NA	0	NA	NA	2	2	"440801015"	NA
"775723"	775723	"3,7-dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo[3,2-..."	"COc1cc(cc(OC)c1OC)C2C=C(C)N=C3SC=C(C)N23"	0	NA	NA	1	1	"440812050"	NA
"775733"	775733	""	"COc1cc(CN2C(=Nc3ccccc3C2=O)SCC(=O)Nc4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	1	1	"440806554"	NA
"775739"	775739	""	"COc1cc(CNC(=O)CCSC2=Nc3ccccc3C(=O)N2Cc4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	"440801019"	NA
"775760"	775760	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)Oc3ccc4C5CC[C@]6(C)[C@@H](O)CC[C@H]6C5CCc4c3)c7ccc[nH]7"	0	NA	NA	1	1	"440803202"	NA
"775761"	775761	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCC(=O)Oc3ccc4C5CC[C@]6(C)[C@@H](O)CC[C@H]6C5CCc4c3)c7ccc[nH]7"	0	NA	NA	1	1	"440808731"	NA
"775762"	775762	""	"c12=Cc3[n-]4c(cc3OC)c3[n-](c5c(c3)cccc5)[Sn+4]4([n]2c(c(c1C)CCCCC)C)([CH-]CCC)[CH-]CCC"	0	NA	NA	1	1	"441653760"	NA
"775763"	775763	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2OC)c3cc4ccccc4[nH]3)\N=C1C"	0	NA	NA	1	1	"440814789"	NA
"775771"	775771	"BMS-863233"	"Clc1ccc2oc3C(=O)NC(=Nc3c2c1)C4CCCN4"	0	"PK:CDC7,CDK7,CDK9"	"Clinical trial"	2	2	"-1"	"1169558386"
"775877"	775877	"2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]..."	"COc1ccc(cc1)C2=Nc3sc4CCCCCCc4c3C(=O)N2"	0	NA	NA	1	1	"440806556"	NA
"775878"	775878	"2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclooc..."	"COc1cc(cc(OC)c1OC)C2=Nc3sc4CCCCCCc4c3C(=O)N2"	0	NA	NA	1	1	"440812054"	NA
"775905"	775905	""	"CC(C)C[C@H](NC(=O)\C=C\CN1C=Cc2ccccc2C1=O)B(O)O"	0	NA	NA	1	1	"440795287"	NA
"775913"	775913	"4-((4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dien-1..."	"C\C(=C/CC\C(=C\CCc1cocc1)\C)\CCCC2=CC(=O)OC2"	0	NA	NA	1	1	"440814792"	NA
"775951"	775951	"N-cyclohexyl-4-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-..."	"O=C(NC1CCCCC1)c2ccc(Nc3ncnc4c3cnn4c5ccccc5)cc2"	0	NA	NA	1	1	"440814796"	NA
"775978"	775978	""	"COc1ccc(cc1)c2cnoc2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	"440812060"	NA
"776002"	776002	""	"Fc1cc(Br)ccc1C(=O)Nc2cccc3[nH]c(nc23)C(F)(F)F"	0	NA	NA	1	1	"440808741"	NA
"776008"	776008	""	"CCOc1ccc(Nc2nc(cs2)c3c(C)nc4ncccn34)cc1"	0	NA	NA	1	1	"440801029"	NA
"776015"	776015	""	"Oc1cc(nn1c2nc3ccccc3[nH]2)c4ccccc4"	0	NA	NA	1	1	"440797543"	NA
"776017"	776017	"Telatinib"	"CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c4ccoc24)ccn1"	0	"PK:PDGFR,KIT,VEGFR,KDR"	"Clinical trial"	2	2	"-1"	"332012405"
"776043"	776043	"CEP-32496"	"COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	"1188910760"
"776053"	776053	"(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-(4-chloro-6-mo..."	"Cc1nc2ccc(Nc3nc(Cl)nc(n3)N4CCOCC4)cc2n1Cc5ccccc5"	0	NA	NA	1	1	"440806567"	NA
"776066"	776066	"AZD-1208"	"N[C@@H]1CCCN(C1)c2c(\C=C\3/SC(=O)NC3=O)cccc2c4ccccc4"	0	"PK:PIM1,PIM2,PIM3"	"Clinical trial"	2	1	"-1"	"1204144284"
"776415"	776415	"[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca..."	"[Ru+2]1([S]=C(c2cccc[n]12)Nc1ccc(cc1)F)([Cl-])c1c(ccc(c1)C(C)C)C.[Cl-]"	0	NA	NA	1	1	"441653699"	NA
"776422"	776422	"LDK-378"	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	"PK:ALK"	"FDA approved"	2	2	"-1"	"1032900256"
"776445"	776445	""	"COc1ccc(cc1)C2=NN(C=O)C(C2)c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3"	0	NA	NA	1	1	"440797548"	NA
"776452"	776452	""	"COc1ccc(cc1)C2CC(=NN2c3ccccc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	"440797550"	NA
"776453"	776453	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccccc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	"440814809"	NA
"776455"	776455	""	"COc1ccc(cc1)C2CC(=NN2c3ccc(Cl)cc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	"440795296"	NA
"776456"	776456	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccc(Cl)cc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	"440806571"	NA
"776469"	776469	""	"Nc1nc(N)c2N=C(CC(Nc2n1)c3sc(Cl)nc3Cl)c4ccc5OCOc5c4"	0	NA	NA	1	1	"440795300"	NA
"776480"	776480	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccc(Cl)cc3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	"440806573"	NA
"776678"	776678	""	"Cc1cc(C)c2c(n1)sc3c(Nc4ccc(Cl)cc4)ncnc23"	0	NA	NA	2	2	"440803220"	NA
"776733"	776733	"(E)-9-(3,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C4SC(=NN4C3c5ccc(OC)c(OC)c5)C)cc1OC"	0	NA	NA	1	1	"440801034"	NA
"776744"	776744	"(E)-9-(3,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C4SC=NN4C3c5ccc(OC)c(OC)c5)cc1OC"	0	NA	NA	1	1	"440814824"	NA
"776751"	776751	"2-(phenylamino)-10-methyl-5,6,7,10-tetrahydropyrrolo[3',..."	"Cn1c(cc2CCCc3cnc(Nc4ccccc4)nc3c12)C(=O)N"	0	NA	NA	1	1	"440795306"	NA
"776762"	776762	"EXEL-7647"	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC4C[C@H]5CN(C)C[C@H]5C4"	0	"PK:EGFR,ERBB2,SRC,VEGFR"	"Clinical trial"	2	2	"-1"	"781613238"
"776763"	776763	"Ariad Alk/EGFR inhibitor related to AP-26113"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N(C)C"	0	"PK:ALK,EGFR"	""	2	2	"-1"	"1197958125"
"776787"	776787	"AZD-3463"	"COc1cc(ccc1Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34)N5CCC(N)CC5"	0	"PK:IGF1R,ALK"	"Clinical trial"	2	2	"-1"	"1356962203"
"776790"	776790	"MK-0429"	"COc1ccc(cn1)[C@H](CC(=O)O)N2CCN(CCCc3ccc4CCCNc4n3)C2=O"	0	"ITG"	"Clinical trial"	2	2	"-1"	NA
"776800"	776800	"4-[5-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-4..."	"Cc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)c6ccc(cc6)S(=O)(=O)N"	0	NA	NA	1	1	"440795310"	NA
"776817"	776817	""	"CC(=O)Nc1ccc(cc1)S(=O)(=O)N2C(CCC2=O)C(=O)Nc3ccccc3"	0	NA	NA	2	2	"440808755"	NA
"776825"	776825	"methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17- {[(2E..."	"CCC(=O)Oc1cc(\C=C\C(=O)O[C@H]2C[C@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H]([C@@H]2OC)C(=O)OC)ccc1OC"	0	NA	NA	1	1	"440803230"	NA
"776877"	776877	""	"Cc1cc(nc(NC2CCCCC2)n1)N3CCN(CC3)c4ccnc5cc(Cl)ccc45"	0	NA	NA	1	1	"440797562"	NA
"776878"	776878	""	"COc1cc(Nc2cc(C)nc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc(OC)c1"	0	NA	NA	2	2	"440797563"	NA
"776879"	776879	""	"COc1ccc(Nc2cc(C)nc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc1"	0	NA	NA	1	1	"440814827"	NA
"776928"	776928	"N-{4-[(1e)-N-Carbamimidoylbutanehydrazonoyl]phenyl}-5-Me..."	"CCC\C(=N\NC(=N)N)\c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1"	0	NA	NA	1	1	"440803235"	NA
"776971"	776971	"3-[5-(2-Phenoxymethyl-benzoimidazol-1-ylmethyl)-[1,3,4]o..."	"Cc1ccc(Oc2nc3ccccc3cc2c4oc(Cn5c(COc6ccccc6)nc7ccccc57)nn4)cc1"	0	NA	NA	1	1	"440808764"	NA
"776996"	776996	"PI-103"	"Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"371935794"
"776999"	776999	""	"CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N2C=CC(=CC2=O)Nc3ccccc3)B(O)O"	0	NA	NA	1	1	"440795319"	NA
"777000"	777000	""	"CC(C)C[C@H](NC(=O)CN1C=CC=C(CNC(=O)c2ccccc2)C1=O)B(O)O"	0	NA	NA	2	2	"440814831"	NA
"777001"	777001	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N2C=CC(=CC2=O)N3CCCCC3)B(O)O"	0	NA	NA	1	1	"440797571"	NA
"777002"	777002	""	"CC(C)C[C@H](NC(=O)CN1C=CC(=CC1=O)NCc2ccccc2)B(O)O"	0	NA	NA	2	2	"440814832"	NA
"777081"	777081	"3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b..."	"Nc1c(sc2nc3CCN(Cc4ccccc4)Cc3cc12)C(=O)Nc5ccccc5"	0	NA	NA	1	1	"440806587"	NA
"777082"	777082	"3-amino-6-benzyl-n-mesityl-5,6,7,8-tetrahydrothieno[2,3-..."	"Cc1cc(C)c(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c(C)c1"	0	NA	NA	1	1	"440812094"	NA
"777084"	777084	"3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrot..."	"COc1cccc(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c1"	0	NA	NA	1	1	"440812095"	NA
"777085"	777085	"3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b..."	"Cc1cccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c1"	0	NA	NA	2	2	"440795324"	NA
"777095"	777095	"4,4'-((1E,4E)-3-oxopenta-1,4-diene-1,5-diyl)bis(4,1-phen..."	"OB(O)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)B(O)O)cc1"	0	NA	NA	1	1	"440814836"	NA
"777096"	777096	"(E)-4-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron..."	"COc1ccc(\C=C\C(=O)c2ccc(cc2)B(O)O)cc1O"	0	NA	NA	2	1	"440797575"	NA
"777174"	777174	"(Z)-1-(1H-indol-3-yl)-3-(2-methoxy-5-(3,4,5-trimethoxyst..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N\C=C/C(=O)c3c[nH]c4ccccc34"	0	NA	NA	1	1	"440795330"	NA
"777176"	777176	"(3-amino-5-ethynyl-6-methoxy-1H-indol-2-yl)(3,4,5-trimet..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#C"	0	NA	NA	1	1	"440801047"	NA
"777178"	777178	"(3-amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-y..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#CCO"	0	NA	NA	1	1	"440797577"	NA
"777179"	777179	"(3-amino-5-(cyclopropylethynyl)-6-methoxy-1H-indol-2-yl)..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#CC4CC4"	0	NA	NA	1	1	"440795331"	NA
"777180"	777180	"(Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c1OC"	0	NA	NA	1	1	"440797578"	NA
"777183"	777183	"Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylamin..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3c[nH]c4ccccc34)c1OC"	0	NA	NA	1	1	"440806593"	NA
"777185"	777185	"(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-(3,4,5-trimet..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(ccc2OC)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440812098"	NA
"777187"	777187	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(3,4,5-t..."	"COc1ccc(cc1\C=C\C(=O)c2ccc3OCOc3c2)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440808772"	NA
"777193"	777193	"LDK-378"	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	"PK:ALK"	"FDA approved"	2	2	"-1"	"1380575438"
"777194"	777194	"Daporinad"	"O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	"NAMPT|PK:YK"	"Clinical trial"	2	2	"-1"	"658084641"
"777195"	777195	"aurantimycin a"	"COC[C@@H]1N(O)C(=O)[C@H]2CCCNN2C(=O)[C@@H](NC(=O)[C@](C)(O)[C@]3(O)CC[C@@H](CC(C)C)[C@H](C)O3)[C@@H](OC(=O)[C@@H](C)N(O)C(=O)[C@@H]4CCCNN4C(=O)CNC1=O)C(C)C"	0	NA	NA	2	1	"440808773"	"162478504"
"777196"	777196	"(5-(5'-(hydroxymethyl)-[2,2'-bifuran]-5-yl)thiophen-2-yl..."	"OCc1oc(cc1)c2oc(cc2)c3ccc(CO)s3"	0	NA	NA	2	2	"440812100"	NA
"777306"	777306	""	"CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	"440801049"	NA
"777312"	777312	""	"Fc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	"440814843"	NA
"777323"	777323	""	"Fc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCc3oc(nn3)c4ccccc4"	0	NA	NA	1	1	"440808777"	NA
"777334"	777334	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccccc5)n4"	0	NA	NA	1	1	"440812107"	NA
"777380"	777380	"e/z-endoxifen"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	NA	NA	2	2	"440801053"	NA
"777389"	777389	"5'-hydroxy-5-nitro indirubin oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(cc23)[N+](=O)[O-])/Nc4ccc(O)cc14"	0	NA	NA	2	2	"440814848"	NA
"777407"	777407	"5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(3,4,5-trimeth..."	"COc1cc(cc(OC)c1OC)c2nn[nH]c2c3ccc4OCCOc4c3"	0	NA	NA	1	1	"440797587"	NA
"777408"	777408	"5-(benzo[d][1,3]dioxol-5-yl)-4-(3,5-dimethoxyphenyl)-1H-..."	"COc1cc(OC)cc(c1)c2nn[nH]c2c3ccc4OCOc4c3"	0	NA	NA	1	1	"440814849"	NA
"777422"	777422	"(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2cscc2c3oc(CO)cc3"	0	NA	NA	2	2	"440803248"	NA
"777425"	777425	"GDC-0032"	"CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1282512484"
"777445"	777445	"GSK-1070916"	"CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5"	0	"PK:AURK"	"Clinical trial"	2	2	"-1"	"942918072"
"777448"	777448	"PFI-1"	"COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1403764726"
"777486"	777486	""	"COc1ccc(c2nc(O)c3c4CCCCc4sc3n2)c5ccccc15"	0	NA	NA	2	2	"440801057"	NA
"777571"	777571	"BIX-01294"	"COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5"	0	"EHMT2|EHMT1/2"	"Clinical trial"	2	1	"-1"	"935693622"
"777572"	777572	"AZD-8186"	"C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C"	0	"PI3KB|PK:PIK3"	"Clinical trial"	2	2	"-1"	"1627494136"
"777573"	777573	"E-7820"	"Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13"	0	"Ang|ITG"	"Clinical trial"	2	2	"-1"	"289483698"
"777574"	777574	"tx262"	"CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)c2cc3c4ccccc4ccc3c5ccccc25)c6ccccn6"	0	NA	NA	1	1	"440797598"	NA
"777586"	777586	"5-aza-T-dCyd"	"NC1=NC(=O)N(C=N1)[C@H]2CC(O)[C@@H](CO)S2"	0	""	"Clinical trial"	1	1	"-1"	"169514765"
"777638"	777638	"AZD-6738"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)S(=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	1	1	"-1"	NA
"777639"	777639	"LGK-974"	"Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(cn3)c4cnccn4)cc2C"	0	"Wnt|PORCN"	"Clinical trial"	1	1	"-1"	"1243244145"
"777718"	777718	"VE-822"	"CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)C"	0	"PK:ATR"	"Clinical trial"	2	2	"-1"	"1232416259"
"777877"	777877	"PF-4989216"	"Fc1cc(ccc1c2c(C#N)c(sc2c3nnc[nH]3)N4CCOCC4)C#N"	0	"PK:PIK3"	"Clinical trial"	1	1	"-1"	"1276553093"
"777879"	777879	"AM-5992"	"CN(CCO)C1CCN(CC1)c2ccc(Nc3ncc4c5ccnc(F)c5n(C6CCCC6)c4n3)nc2"	0	"PK:CDK,FLT,FLT3"	"Clinical trial"	2	2	"-1"	"1169694987"
"777886"	777886	""	"CC(C)C[C@H](NC(=O)CCN1C=Cc2ccccc2C1=O)B(O)O"	0	NA	NA	1	1	"440797604"	NA
"777944"	777944	""	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)c4ccc(Cl)cc4)ccc1O"	0	NA	NA	1	1	"440795356"	NA
"777946"	777946	""	"COc1ccc(cc1)C(=O)n2nc(\C=C\c3ccc(O)c(OC)c3)cc2\C=C\c4ccc(O)c(OC)c4"	0	NA	NA	1	1	"440806617"	NA
"777947"	777947	""	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)N)ccc1O"	0	NA	NA	1	1	"440803263"	NA
"778252"	778252	"Ethyl 3-((5H-pyrrolo[3,2-d]pyrimidin-4-yl)disulfanyl)-2-..."	"CCOC(=O)[C@H](CSSc1ncnc2cc[nH]c12)NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3"	0	NA	NA	2	2	"440806626"	NA
"778301"	778301	""	"Cc1sc(C)c(c2oc(CO)cc2)c1c3oc(CO)cc3"	0	NA	NA	2	2	"440803271"	NA
"778304"	778304	"Encorafenib"	"COC(=O)N[C@@H](C)CNc1nccc(n1)c2cn(nc2c3cc(Cl)cc(NS(=O)(=O)C)c3F)C(C)C"	0	"PK:BRAF"	"FDA approved"	2	2	"-1"	NA
"778305"	778305	"Afuresertib"	"Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	"-1"	"1047644621"
"778314"	778314	"3-amino-N-(3-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro..."	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"440808807"	NA
"778317"	778317	"3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocyclooc..."	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccc4Cl"	0	NA	NA	1	1	"440808808"	NA
"778318"	778318	"3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thien..."	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	"440803272"	NA
"778351"	778351	""	"CCCCCCC[C@@H](O)CC(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N4CCCC4C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc6c[nH]cn6)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc7ccccc7)C(=O)O"	0	NA	NA	2	1	"440808809"	NA
"778364"	778364	"Defactinib"	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	"PK:FAK"	"Clinical trial"	2	2	"-1"	"1073160265"
"778366"	778366	"EXEL-2280"	"CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C4CC4)cc(n2)N5CCN(C)CC5)on1"	0	"PK:IGF1R,AURK,FGFR,SRC"	"Clinical trial"	2	2	"-1"	"898280074"
"778367"	778367	"ARRY-614"	"Cc1ccc(cc1)n2nc(cc2NC(=O)NCc3cc(F)ccc3Oc4ccc5c(cnn5CCO)c4)C(C)(C)C"	0	"PK:MAPK14"	"Clinical trial"	2	2	"-1"	"945614120"
"778368"	778368	"GSK-2141795"	"Cn1ncc(Cl)c1c2cc(oc2Cl)C(=O)N[C@H](CN)Cc3ccc(F)c(F)c3"	0	"PK:AKT"	"Clinical trial"	2	2	"-1"	"1047634650"
"778406"	778406	"1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]..."	"Cn1cc(c2csc(n2)c3cn(C)c4ncccc34)c5ccccc15"	0	NA	NA	2	2	"440803276"	NA
"778407"	778407	"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrro..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ccccc34)c5cccnc15"	0	NA	NA	2	2	"440797618"	NA
"778410"	778410	"3,3'-(1H-pyrrole-2,5-diyl)bis(1-methyl-1H-pyrrolo[2,3-b]..."	"Cn1cc(c2ccc([nH]2)c3cn(C)c4ncccc34)c5cccnc15"	0	NA	NA	2	2	"440795370"	NA
"778436"	778436	""	"CN(C)CC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CN(C)C)cc5)C(=O)c23)cc1"	0	NA	NA	1	1	"440801086"	NA
"778437"	778437	""	"O=C(CCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	"440803278"	NA
"778438"	778438	""	"CCN(CC)CCC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CCN(CC)CC)cc5)C(=O)c23)cc1"	0	NA	NA	2	2	"440812147"	NA
"778439"	778439	""	"O=C(CN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	"440808811"	NA
"778440"	778440	""	"O=C(CCCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	1	1	"440803279"	NA
"778441"	778441	""	"O=C(CCCCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCCCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	"440808812"	NA
"778442"	778442	""	"CN(C)CCCC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CCCN(C)C)cc5)C(=O)c23)cc1"	0	NA	NA	1	1	"440803280"	NA
"778448"	778448	"Ombrabulin"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO"	0	"TUBB|Tu-frag"	"Clinical trial"	2	2	"-1"	"253426243"
"778538"	778538	""	"COc1ccc2nc3cc(Cl)ccc3c(N4CCN(CC4)c5ccnc(n5)N6CCOCC6)c2c1"	0	NA	NA	1	1	"440812150"	NA
"778540"	778540	""	"COc1ccc2nc3cc(Cl)ccc3c(N4CCN(CC4)c5ccnc(n5)N6CCN(C)CC6)c2c1"	0	NA	NA	1	1	"440814877"	NA
"778566"	778566	""	"CC(=O)N1CC(=CC1=O)Nc2ccc(OC(F)(F)F)cc2"	0	NA	NA	1	1	"440803286"	NA
"778590"	778590	"Cobimetinib (isomer 1)"	"OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	"-1"	"1168091686"
"778653"	778653	"(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c..."	"[Cl-][Au+]C1N(Cc2ccccc2)C(=C(N1Cc3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"440801093"	NA
"778665"	778665	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCCCCCC(=O)O[C@H]3CC[C@H]4C5CCc6cc(O)ccc6C5CC[C@]34C)c7ccc[nH]7"	0	NA	NA	2	2	"440806634"	NA
"778746"	778746	"FH-535"	"Cc1cc(ccc1NS(=O)(=O)c2cc(Cl)ccc2Cl)[N+](=O)[O-]"	0	"PPARG"	"Clinical trial"	2	1	"-1"	"108409832"
"778747"	778747	"OTX-015"	"Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(O)cc3)c4nnc(C)n24)c5ccc(Cl)cc5)c1C"	0	"BRD"	"Clinical trial"	2	2	"-1"	"202590985"
"778770"	778770	""	"Clc1ccc(Nc2ncnc3c4cccnc4sc23)c(Cl)c1"	0	NA	NA	2	2	"440803294"	NA
"778776"	778776	""	"Oc1ccc(Nc2ncnc3c4cccnc4sc23)cc1"	0	NA	NA	2	2	"440803297"	NA
"778809"	778809	"TAK-632"	"Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	"1228591307"
"778810"	778810	"VS-5584"	"CC(C)n1c(C)nc2c(nc(nc12)N3CCOCC3)c4cnc(N)nc4"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1246560337"
"778843"	778843	"N-(2-carbamoyl-4-chlorophenyl)biphenyl-2-carboxamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)c2ccccc2c3ccccc3"	0	NA	NA	1	1	"440801102"	NA
"778871"	778871	"NCGC00350716-01"	"COc1cccc(c1)c2oc3ccc(NC(=O)c4ccc(Cl)c(c4)C#N)cc3n2"	0	NA	NA	1	1	"440806643"	NA
"778909"	778909	"LEE-011"	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5"	0	"PK:CDK,CDK4,CDK6"	"FDA approved"	1	1	"-1"	"1211441983"
"779185"	779185	""	"c1(cc2c(cc1)c1cc[n+](c(c1n2CCC)C)CCC(C)C)OCCC(C)C.[Br-]"	0	NA	NA	1	1	"441653666"	NA
"779217"	779217	"osimertinib"	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34"	0	"PK:EGFR"	"FDA approved"	2	2	"-1"	"1421373650"
"779218"	779218	"CEP-28122"	"COc1c2CC[C@H](CCc2ccc1Nc3ncc(Cl)c(N[C@@H]4[C@@H]5CC(C=C5)[C@@H]4C(=O)N)n3)N6CCOCC6"	0	"PK:ALK"	"Clinical trial"	2	2	"-1"	"1022958606"
"779306"	779306	""	"COc1cc2OC(=CC(=O)c2c(OC)c1OC)c3cccc(c3)C(=O)Nc4ccc(C)cc4"	0	NA	NA	1	1	"440795394"	NA
"779374"	779374	"4-(3, 5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin..."	"COc1cc(OC)cc(c1)N2CCN(CC2)C(=O)Nc3nc4cc(F)ccc4nc3OC"	0	NA	NA	2	2	"440806654"	"888478453"
"779401"	779401	""	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	"440795401"	NA
"779404"	779404	"RG-7388"	"COc1cc(ccc1NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c3cccc(Cl)c3F)c4ccc(Cl)cc4F)C(=O)O"	0	"MDM2"	"Clinical trial"	2	2	"-1"	"1229705069"
"779405"	779405	"CO-1686"	"COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C"	0	"PK:EGFR"	"FDA approved"	2	2	"-1"	"1374640706"
"779407"	779407	"GNE-617"	"Fc1cc(F)cc(c1)S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2"	0	"NAMPT"	"Clinical trial"	2	2	"-1"	NA
"779704"	779704	"K287"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	NA	NA	2	2	"440814895"	"75330755"
"779705"	779705	"I518"	"CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	NA	NA	2	2	"440803316"	"73573883"
"779706"	779706	"Pitavastatin calcium"	"O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O"	0	NA	NA	2	2	"440795402"	"147526327"
"779708"	779708	"Rosuvastatin calcium"	"CC(C)c1nc(nc(c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(=O)(=O)C"	0	NA	NA	2	2	"440809422"	"147098202"
"779709"	779709	"H004"	"CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"	0	NA	NA	2	2	"440795403"	"134523038"
"780019"	780019	"PD183805"	"Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl"	0	"PK:EGFR,ERBB2"	"Clinical trial"	2	2	"-1"	"289499452"
"780020"	780020	"spebrutinib"	"COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1"	0	"PK:BTK"	"Clinical trial"	2	2	"-1"	"1202757898"
"780022"	780022	"4-fluoro-N-(3-(4-(6-(4-hydroxyphenyl)imidazo[2,1-b]thiaz..."	"Oc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"440814897"	NA
"780027"	780027	"4-methoxy-N-(2-((4-(6-phenylimidazo[2,1-b]thiazol-5-yl)p..."	"COc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccccc5"	0	NA	NA	1	1	"440803317"	NA
"780035"	780035	"N-(2-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)..."	"COc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(cc5)C(F)(F)F)n4"	0	NA	NA	1	1	"440814899"	NA
"780042"	780042	"CP-724714"	"COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1"	0	"PK:ERBB2"	"Clinical trial"	2	2	"-1"	"383432380"
"780108"	780108	"PF-06463922"	"C[C@H]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N"	0	"PK:ROS1,ALK"	"FDA approved"	2	2	"-1"	"1454846355"
"780163"	780163	"SOMCL-12-81"	"CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cccc(NC(=O)CN)c3)ncc2Cl"	0	"PK:ALK"	"Clinical trial"	2	2	"-1"	NA
"780167"	780167	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)a..."	"Clc1ccc(NCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3)cc1"	0	NA	NA	2	2	"440801120"	NA
"780168"	780168	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2,6-dichlorophen..."	"Clc1cccc(Cl)c1NCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3"	0	NA	NA	2	2	"440806660"	NA
"780175"	780175	"(E)-1-(4-hydroxyphenyl)-3-(2-methoxy-5-(3,4,5-trimethoxy..."	"COc1ccc(cc1\C=C\C(=O)c2ccc(O)cc2)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440795408"	NA
"780176"	780176	"(Z)-4-tert-butyl-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimeth..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c1O"	0	NA	NA	1	1	"440806662"	NA
"780182"	780182	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c1O"	0	NA	NA	2	2	"440795409"	NA
"780183"	780183	"(Z)-4-fluoro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(F)cc3)c1O"	0	NA	NA	2	2	"440806665"	NA
"780184"	780184	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(C)cc3)c1O"	0	NA	NA	2	2	"440795410"	NA
"780185"	780185	"(Z)-3-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c3cccc(Cl)c3)c1OC"	0	NA	NA	1	1	"440797660"	NA
"780186"	780186	"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-3..."	"COc1ccc(cc1OC)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC"	0	NA	NA	1	1	"440801122"	NA
"780198"	780198	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(1-(3,4,..."	"COc1ccc(cc1\C=C\C(=O)c2ccc3OCOc3c2)C(=C)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440803323"	NA
"780203"	780203	"selinexor"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)NNc3cnccn3)n2"	0	"XPO1"	"FDA approved"	2	2	"-1"	"1393477729"
"780204"	780204	"TAS-116"	"CCc1cc(ccc1n2nc(C(C)C)c3c(ccnc23)n4cnc(c4)c5cnn(C)c5)C(=O)N"	0	"HSP90"	"Clinical trial"	2	2	"-1"	"1260533365"
"780205"	780205	"dimethylfasudil"	"C[C@H]1CNCCCN1S(=O)(=O)c2cccc3cncc(C)c23"	0	"RHO"	"Clinical trial"	2	2	"-1"	"451462581"
"780249"	780249	"AZD-6738"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	2	2	"-1"	"1352226880"
"780250"	780250	"AZD-6738 ( R,S-isomer)"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@@](=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	2	2	"-1"	NA
"780290"	780290	"SAR-260301 (enantiomer 1)"	"CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4"	0	"PI3KB"	"Clinical trial"	2	2	"-1"	NA
"780291"	780291	"SAR-260301 (enantiomer 1)"	"CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4"	0	"PI3KB"	"Clinical trial"	2	2	"-1"	NA
"780369"	780369	"3-methyl-5-(1-methyl-4-(6-morpholino-2-(pyridin-3-yl)pyr..."	"Cc1cc(O)cc(c1)c2nn(C)cc2c3cc(nc(n3)c4cccnc4)N5CCOCC5"	0	NA	NA	1	1	"440804295"	NA
"780381"	780381	"(1R,2R,4aS,5R,8aS)-5-((E)-2-((S)-4-acetoxy-2-oxodihydrof..."	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](C\C=C\3/[C@@H](COC3=O)OC(=O)C)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440812486"	NA
"780404"	780404	"AZ-505"	"Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)c4OCC(=O)Nc14"	0	"SETD8|SMYD2"	"Clinical trial"	2	2	"-1"	"1035227430"
"780423"	780423	""	"CC(C)[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C(C)C"	0	NA	NA	1	1	"440810397"	NA
"780450"	780450	"4-((2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)benz..."	"CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)sc3c2)ccn1"	0	NA	NA	1	1	"440801698"	NA
"780453"	780453	"MTMSA"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)O"	0	NA	NA	1	1	"440815851"	NA
"780454"	780454	"mithramycin SA-methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)OC"	0	NA	NA	2	2	"440812672"	NA
"780455"	780455	"mithramycin SA-L-alanine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](C)C(=O)OC"	0	NA	NA	1	1	"440816475"	NA
"780456"	780456	"mithramycin SA-L-glycine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)NCC(=O)OC"	0	NA	NA	1	1	"440816457"	NA
"780457"	780457	"mithramycin SA-L-valine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](C(C)C)C(=O)OC"	0	NA	NA	1	1	"440810173"	NA
"780458"	780458	"mithramycin SA-L-tryptophan methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9c[nH]c%10ccccc9%10)C(=O)OC"	0	NA	NA	2	2	"440807653"	NA
"780459"	780459	"mithramycin SA-L-phenylalanine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9ccccc9)C(=O)OC"	0	NA	NA	1	1	"440813063"	NA
"780461"	780461	"mithramycin SA-L-lysine-O-tBu"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](CCCCNC(=O)OCc9ccccc9)C(=O)OC(C)(C)C"	0	NA	NA	1	1	"440813049"	NA
"780462"	780462	"mithramycin SA-L-tyrosine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)OC"	0	NA	NA	1	1	"440802062"	NA
"780549"	780549	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(F)c1"	0	NA	NA	1	1	"440804459"	NA
"780556"	780556	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(OC)c1"	0	NA	NA	1	1	"440812646"	NA
"780569"	780569	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(c1)C(F)(F)F"	0	NA	NA	1	1	"440816044"	NA
"780575"	780575	"N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]-4-methoxyb..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c5ccccc25"	0	NA	NA	1	1	"440809826"	NA
"780576"	780576	""	"Cc1cc(F)ccc1S(=O)(=O)Nc2cc(c(O)c3ccccc23)c4c(O)ccc5ccccc45"	0	NA	NA	1	1	"440804386"	NA
"780580"	780580	""	"Oc1c(Br)cc(NS(=O)(=O)c2ccc(F)cc2)c3ccccc13"	0	NA	NA	1	1	"440801259"	NA
"780720"	780720	"4-(2-(2,6-dichlorobenzylthio)-4-oxothieno[3,2-d]pyrimidi..."	"OC(=O)CCCN1C(=Nc2ccsc2C1=O)SCc3c(Cl)cccc3Cl"	0	NA	NA	1	1	"440795566"	NA
"780813"	780813	"1-phenyl-3-(trifluoromethyl)-1,2,4-benzotriazin-7(1H)-one"	"FC(F)(F)C1=NN(C2=CC(=O)C=CC2=N1)c3ccccc3"	0	NA	NA	1	1	"440795998"	NA
"780815"	780815	"1-phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccc3)c4ccccn4"	0	NA	NA	1	1	"440810134"	NA
"780816"	780816	"3-phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccn3)c4ccccc4"	0	NA	NA	1	1	"440815919"	NA
"780876"	780876	""	"CN(C1CCCCC1)c2cc3N=CC(=O)Nc3cc2NC(=N)NCc4ccc(Cl)cc4"	0	NA	NA	1	1	"440804179"	NA
"780879"	780879	"3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin..."	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	1	1	"440801257"	"1009298592"
"780880"	780880	"3-(2-aminobenzo[d]oxazol-5-yl)-1-isopropyl-1H-pyrazolo[3..."	"CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14"	0	NA	NA	2	1	"440796109"	"1224844385"
"780881"	780881	"1-(4-(4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)phen..."	"O=C(Nc1ccc(cc1)c2nc(N3CCOCC3)c4cccn4n2)Nc5cccnc5"	0	NA	NA	1	1	"440806889"	NA
"780882"	780882	"1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(..."	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(N5CCOCC5)c6cccn6n4)cc2"	0	NA	NA	2	2	"440807534"	NA
"780883"	780883	"1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(4-morp..."	"CN1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(N5CCOCC5)c6cccn6n4)cc2"	0	NA	NA	2	2	"440804766"	NA
"780889"	780889	"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,6]naphthy..."	"CN(C)CCCN1C(=O)c2ccncc2C3=C1c4ccccc4C3=O"	0	NA	NA	1	1	"440799461"	NA
"780891"	780891	"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,7]naphthy..."	"CN(C)CCCN1C(=O)c2cnccc2C3=C1c4ccccc4C3=O"	0	NA	NA	1	1	"440798661"	NA
"780892"	780892	"6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-5H-[1,3]dioxolo[..."	"Clc1ccc2C3=C(N(CCCn4ccnc4)C(=O)c2c1)c5cc6OCOc6cc5C3=O"	0	NA	NA	1	1	"440815287"	NA
"780893"	780893	"(S)-3-chloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo[4',..."	"OC[C@@H](O)CN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440804626"	NA
"780895"	780895	"6-(3-((2-hydroxyethyl)amino)propyl)-9-methoxy-5H-pyrido[..."	"COc1cnc2C3=C(C(=O)c2c1)c4cnccc4C(=O)N3CCCNCCO"	0	NA	NA	1	1	"440799455"	NA
"780897"	780897	"(S)-6-(2,3-dihydroxypropyl)-3-(methylthio)-5H-indeno[1,2..."	"CSc1ccc2C3=C(N(C[C@H](O)CO)C(=O)c2c1)c4ccccc4C3=O"	0	NA	NA	1	1	"440815382"	NA
"780901"	780901	"(1'S,7a'R)-7'-methoxy-6'-methyl-1'-phenyl-1'H-spiro[cycl..."	"COC1=C(C)C(=O)N2[C@@H]1[C@@H](OC23C=CC(=O)C=C3)c4ccccc4"	0	NA	NA	2	2	"440807116"	NA
"780927"	780927	"(2Z,4E)-5-(3-chlorophenyl)-2-(methylsulfinyl)penta-2,4-d..."	"CS(=O)\C(=C/C=C/c1cccc(Cl)c1)\C#N"	0	NA	NA	1	1	"440804670"	NA
"780928"	780928	"(2E)-2-{(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-yl..."	"FC(F)(F)c1cccc(\C=C\C=C/2\C(=O)NCCS2(=O)=O)c1"	0	NA	NA	1	1	"440802765"	NA
"780931"	780931	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)NCCCCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440804479"	NA
"780932"	780932	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-5-yl)methyl) octane-1,8-diyldicarbamate"	"C[C@@]12CC\C=C(\COC(=O)NCCCCCCCCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440807841"	NA
"780953"	780953	"4-((2-(3-(2,4-difluorophenyl)ureido)quinolin-5-yl)oxy)-N..."	"CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4F)ccc23)ccn1"	0	NA	NA	1	1	"440809553"	NA
"780956"	780956	"4-((2-(3-(3,4-dichlorophenyl)ureido)benzo[d]thiazol-6-yl..."	"CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1"	0	NA	NA	1	1	"440796318"	NA
"780957"	780957	"N6-(3,5-dimethylphenyl)-N2-(2-morpholinoethyl)-3-nitropy..."	"Cc1cc(C)cc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+](=O)[O-])c1"	0	NA	NA	2	2	"440796006"	NA
"780958"	780958	"N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitro..."	"Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+](=O)[O-])c1"	0	NA	NA	2	2	"440807410"	NA
"780965"	780965	"MK-0731"	"CN([C@H]1CCN(C)C[C@H]1F)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(F)ccc4F"	0	"CDH16|KIF11"	"Clinical trial"	2	2	"-1"	"845256657"
"780982"	780982	"(9-ethyl-9H-carbazol-3-yl)(quinolin-5-yl)methanol"	"CCn1c2ccccc2c3cc(ccc13)C(O)c4cccc5ncccc45"	0	NA	NA	2	2	"440807435"	NA
"780985"	780985	""	"COc1ncc2cc1NS(=O)(=O)c3cccc(c3)C(=O)NCc4ccc(s4)c5ncnc6c(C)c2sc56"	0	NA	NA	1	1	"440813455"	NA
"781008"	781008	"maritoclax"	"Oc1ccccc1C(=O)c2[nH]c(Cl)c(Cl)c2n3c(Cl)c(Cl)cc3C(=O)c4ccccc4O"	0	"MCL1"	"Clinical trial"	1	1	"-1"	"1227962620"
"781009"	781009	"MI-773"	"CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]13C(=O)Nc4cc(Cl)ccc34)C(=O)N[C@@H]5CC[C@@H](O)CC5"	0	"MDM2"	"Clinical trial"	1	1	"-1"	"1303607079"
"781010"	781010	"2-Allyl-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione"	"C=CCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4"	0	NA	NA	1	1	"440809737"	NA
"781016"	781016	"BAY-87-2243"	"Cc1cc(nn1Cc2ccnc(c2)N3CCN(CC3)C4CC4)c5onc(n5)c6ccc(OC(F)(F)F)cc6"	0	"HIF1"	"Clinical trial"	2	2	"-1"	"1227158851"
"781076"	781076	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccccc4N)\C"	0	NA	NA	2	2	"440810141"	NA
"781077"	781077	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4)\C"	0	NA	NA	2	2	"440801852"	NA
"781078"	781078	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4F)\C"	0	NA	NA	2	2	"440796140"	NA
"781079"	781079	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)c(c4)C(F)(F)F)\C"	0	NA	NA	2	2	"440807652"	NA
"781080"	781080	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)c(F)c4)\C"	0	NA	NA	2	2	"440805481"	NA
"781084"	781084	""	"OC1CSSC1Cn2cnc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc23"	0	NA	NA	2	2	"440804109"	NA
"781085"	781085	""	"Nc1ncnc2c1c(nn2CC3SSCC3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440801588"	NA
"781097"	781097	""	"COC12CCCCCCCCC(=O)\C(=C\3/OC(CCCCCCCCC(=O)\C(=C(/O1)\C=C2)\C(=O)OCc4ccncc4)(OC)C=C3)\C(=O)OCc5ccncc5"	0	NA	NA	1	1	"440802718"	NA
"781102"	781102	""	"COC12CCCCCCCCC(=O)\C(=C\3/OC(CCCCCCCCC(=O)\C(=C(/O1)\C=C2)\C(=O)OCc4csc(SC)n4)(OC)C=C3)\C(=O)OCc5cnc(SC)s5"	0	NA	NA	1	1	"440801637"	NA
"781113"	781113	"7-chloro-3-phenyl-5-(pyridin-3-yl)-thiazolo[4,5-d]pyrimi..."	"Clc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4cccnc4"	0	NA	NA	1	1	"440804092"	NA
"781114"	781114	"7-amino-5-(4-chlorophenyl)-3-phenyl-thiazolo[4,5-d]pyrim..."	"Nc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440804746"	NA
"781136"	781136	""	"COc1ccc(CCN2CCCN3C(=O)c4ccccc4N=C23)cc1"	0	NA	NA	2	2	"440796994"	NA
"781137"	781137	""	"COc1ccc(CCN2CCCN3C2=Nc4ccccc4S3(=O)=O)cc1"	0	NA	NA	1	1	"440812371"	NA
"781140"	781140	""	"COc1ccc(CCN2CC=CN3C(=O)c4ccccc4N=C23)cc1"	0	NA	NA	2	2	"440809919"	NA
"781141"	781141	"N-(4-(morpholinomethyl)phenyl)-4-(thieno[2,3-d]pyrimidin..."	"O=C(Nc1ccc(CN2CCOCC2)cc1)c3n[nH]cc3Nc4ncnc5sccc45"	0	NA	NA	1	1	"440798642"	NA
"781142"	781142	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[2..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5sccc45)cc2)CC1"	0	NA	NA	1	1	"440799279"	NA
"781143"	781143	"4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-meth..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5[nH]ccc45)cc2)CC1"	0	NA	NA	1	1	"440801836"	NA
"781144"	781144	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[3..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ccnc5ccsc45)cc2)CC1"	0	NA	NA	1	1	"440804365"	NA
"781146"	781146	"4-((6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5CCCc45)cc2)CC1"	0	NA	NA	1	1	"440815405"	NA
"781147"	781147	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(quinazol..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5ccccc45)cc2)CC1"	0	NA	NA	1	1	"440815825"	NA
"781148"	781148	"CEP-37440"	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc4C[C@H](CCCc4c3OC)N5CCN(CCO)CC5)ncc2Cl"	0	"PK:ALK,FAK"	"Clinical trial"	1	1	"-1"	"1391712609"
"781168"	781168	"4-((2-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoro..."	"CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"440801997"	NA
"781303"	781303	""	"Clc1ccc(NC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1"	0	NA	NA	1	1	"440815140"	NA
"781335"	781335	"6-(6-Hydroxy-13-methyl-5,7-dioxo-6,7-dihydro-5H-indolo[2..."	"Cn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6n(CCCCCC#N)c5c13"	0	NA	NA	1	1	"440801490"	NA
"781336"	781336	"6-(6-Hydroxy-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrro..."	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CCCCCC#N)c3c5[nH]c6ccccc6c25"	0	NA	NA	1	1	"440798542"	NA
"781339"	781339	"13,14-dimethyl-13,14-dihydroindolo[2,3-a]pyrimido[4,5-c]..."	"Cn1c2ccccc2c3c4NC(=O)NC(=O)c4c5c6ccccc6n(C)c5c13"	0	NA	NA	1	1	"440807723"	NA
"781343"	781343	"GDC-0994"	"Cn1nccc1Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(Cl)c(F)c4"	0	"PK:ERK,MAP3K,MAPK1"	"Clinical trial"	2	2	"-1"	"1453848264"
"781344"	781344	"NMS-1286937"	"CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(CCO)c5c4n3)C(=O)N)c2"	0	"PK:PLK1"	"Clinical trial"	2	2	"-1"	"1034616186"
"781401"	781401	"6-(3-(dimethylamino)propoxy)-9-methyl-11H-indeno[1,2-c]q..."	"CN(C)CCCOc1nc2ccccc2c3C(=O)c4cc(C)ccc4c13"	0	NA	NA	1	1	"440813198"	NA
"781402"	781402	"6-(2-(dimethylamino)ethoxy)-3,9-dimethoxy-11H-indeno[1,2..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4cc(OC)ccc34"	0	NA	NA	1	1	"440815691"	NA
"781403"	781403	"9-chloro-6-(3-(dimethylamino)propoxy)-3-methoxy-11H-inde..."	"COc1ccc2c3C(=O)c4cc(Cl)ccc4c3c(OCCCN(C)C)nc2c1"	0	NA	NA	1	1	"440799058"	NA
"781404"	781404	"3-bromo-6-(3-(dimethylamino)propoxy)-9-methoxy-11H-inden..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCCN(C)C)nc4cc(Br)ccc34"	0	NA	NA	1	1	"440815229"	NA
"781405"	781405	"N-hydroxy-7-(9-methoxy-6,11-dioxo-6,11-dihydro-5H-indeno..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4N(CCCCCCC(=O)NO)C3=O"	0	NA	NA	1	1	"440815915"	NA
"781406"	781406	"2,4-difluoro-N-(2-methoxy-5-(4-(3-(4-(methylsulfonyl)pip..."	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCN5CCN(CC5)S(=O)(=O)C)c4c3"	0	""	""	2	2	"127025628"	NA
"781411"	781411	"(S,E)-methyl 5-(4-chlorophenyl)-2-hydroxy -3-oxo-2-(2-ph..."	"COC(=O)[C@](O)(CC(=C)c1ccccc1)C(=O)\C=C\c2ccc(Cl)cc2"	0	NA	NA	1	1	"440812988"	NA
"781421"	781421	"COG112"	NA	0	NA	NA	1	1	"441653722"	NA
"781429"	781429	"OP449"	NA	0	NA	NA	1	1	"440801243"	NA
"781433"	781433	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccccc17"	0	NA	NA	2	2	"440798350"	NA
"781434"	781434	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(F)cc17"	0	NA	NA	2	2	"440801317"	NA
"781435"	781435	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(Cl)cc17"	0	NA	NA	2	2	"440804866"	NA
"781436"	781436	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(Br)cc16"	0	NA	NA	1	1	"440815814"	NA
"781437"	781437	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(Br)cc17"	0	NA	NA	2	2	"440815114"	NA
"781439"	781439	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(F)cc16"	0	NA	NA	1	1	"440798734"	NA
"781440"	781440	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(Cl)cc16"	0	NA	NA	2	2	"440806825"	NA
"781445"	781445	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440815620"	NA
"781466"	781466	""	"CC(C)C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)C2CNCCN2)B3OC4CCC(C[C@H](N)C(=O)N[C@@H](Cc5ccc6OB(Oc6c5)[C@@H](CC(C)C)NC(=O)[C@@H](Cc7ccccc7)NC(=O)c8cnccn8)C(=O)N[C@@H](Cc9ccc%10OB(Oc%10c9)[C@@H](CC(C)C)NC(=O)[C@@H](Cc%11ccccc%11)NC(=O)c%12cnccn%12)C(=O)NCCCC[C@@H]%13NC(=O)[C@@H](Cc%14ccccc%14)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC%13=O)CC4O3"	0	NA	NA	2	1	"440796544"	NA
"781468"	781468	"CUDC-427"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3sc(nc3c4ccccc4)c5occn5"	0	"IAP"	"Clinical trial"	2	2	"-1"	"1446182940"
"781470"	781470	"PF-03758309"	"CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5"	0	"PK:PAK4"	"Clinical trial"	2	2	"-1"	"1279034842"
"781471"	781471	""	"CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@@H]4[C@H](CN)O[C@@H]([C@@H](O)[C@@H]4O3)C(=O)NCCCC[C@@H]5NC(=O)[C@@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC5=O"	0	NA	NA	2	2	"440795972"	NA
"781480"	781480	""	"COc1ccc(cc1F)C2=CC(=O)Oc3ccc(Cl)cc23"	0	NA	NA	2	2	"440812312"	NA
"781481"	781481	""	"CNc1ccc(cc1)C2=CC(=O)Oc3ccc(Cl)cc23"	0	NA	NA	2	2	"440816048"	NA
"781491"	781491	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cc(n(n3)c4ccc(N)cc4)C(F)(F)F)\C"	0	NA	NA	2	2	"440815585"	NA
"781492"	781492	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4C(F)(F)F)\C"	0	NA	NA	1	1	"440815090"	NA
"781493"	781493	""	"C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C#C)c5ccc(cc5)C6CC6"	0	NA	NA	2	2	"440813190"	NA
"781494"	781494	""	"CC(=O)c1ccc(cc1)[C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C#C)[C@@H]4CCC5=CC(=O)CCC5=C24"	0	NA	NA	2	2	"440812886"	NA
"781515"	781515	"AMG-232"	"CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3"	0	"MDM2"	"Clinical trial"	2	2	"-1"	"1352066682"
"781516"	781516	"entosplenitib"	"C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2"	0	"PK:SYK"	"Clinical trial"	1	1	"-1"	"1229208449"
"781517"	781517	"3-fluoro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio..."	"OCCNCCCN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440810261"	NA
"781519"	781519	"3-fluoro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440802723"	NA
"781520"	781520	"3-chloro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440804018"	NA
"781521"	781521	"3-chloro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio..."	"OCCNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440806816"	NA
"781522"	781522	"3-fluoro-6-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440810046"	NA
"781551"	781551	""	"CCCOC(=O)c1[nH]c2ccc(OC)cc2c1\C=C\C(=O)c3ccncc3"	0	NA	NA	2	2	"440809747"	NA
"781556"	781556	"JNJ-42756493"	"COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4"	0	"PK:FGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"FDA approved"	1	1	"-1"	"1346242816"
"781590"	781590	"9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole"	"CCn1c2ccccc2c3cc(ccc13)C(=O)c4ccc(C)c5ccccc45"	0	NA	NA	1	1	"440805177"	NA
"781595"	781595	""	"COc1ccc2[nH]c(cc2c1)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	"440801396"	NA
"781596"	781596	""	"C[C@@]12CC\C=C(\COC(=O)c3cc4cc(Cl)ccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440804436"	NA
"781599"	781599	"4-(benzo[b]thiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-1,2..."	"COc1ccc(cc1OC)c2n[nH]nc2c3csc4ccccc34"	0	NA	NA	1	1	"440804313"	NA
"781600"	781600	"4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyph..."	"COc1cc(cc(OC)c1OC)c2nn(C)nc2c3cc4ccccc4s3"	0	NA	NA	1	1	"440813262"	NA
"781615"	781615	""	"CCCOc1cc2ccccc2cc1C(=O)Nc3nc(N)c4c(ccc5[nH]ccc45)n3"	0	NA	NA	1	1	"440801904"	NA
"781616"	781616	""	"CCCOc1cc2ccccc2cc1C(=O)Nc3nc(NC)c4c(ccc5[nH]ccc45)n3"	0	NA	NA	1	1	"440812455"	NA
"781619"	781619	"14-15-Cyclopropanovindesine-sulfate"	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)N)C1"	0	NA	NA	2	2	"440815197"	NA
"781623"	781623	""	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CCSS5"	0	NA	NA	2	2	"440802326"	NA
"781627"	781627	"GSK-2606414"	"Cn1cc(c2ccc3N(CCc3c2)C(=O)Cc4cccc(c4)C(F)(F)F)c5c(N)ncnc15"	0	"PK:EIF2AK3"	"Clinical trial"	1	1	"-1"	"1337531368"
"781665"	781665	"2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8..."	"c1ccc2c(c1O)nc(cc2C(=O)/C=C/c1c2c(c(cc1)O)nc(cc2)C)C.Cl"	0	NA	NA	1	1	"441653689"	NA
"781666"	781666	"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(4-morpholinyl-me..."	"Oc1cccc2ccc(N\N=C\c3cc(CN4CCOCC4)c(O)c5ncccc35)nc12"	0	NA	NA	2	2	"440801562"	NA
"781667"	781667	"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(1-piperidinyl-me..."	"Oc1cccc2ccc(N\N=C\c3cc(CN4CCCCC4)c(O)c5ncccc35)nc12"	0	NA	NA	1	1	"440815929"	NA
"781668"	781668	"2-propen-1-one, 1,3-bis[8-hydroxy-7-(4-morpholinylmethyl..."	"Oc1c(CN2CCOCC2)cc(\C=C\C(=O)c3cc(CN4CCOCC4)c(O)c5ncccc35)c6cccnc16"	0	NA	NA	2	2	"440801958"	NA
"781671"	781671	"2-Propen-1-one, 1,3-bis[8-hydroxy-2-methyl-7-(4-morpholi..."	"Cc1ccc2c(\C=C\C(=O)c3cc(CN4CCOCC4)c(O)c5nc(C)ccc35)cc(CN6CCOCC6)c(O)c2n1"	0	NA	NA	1	1	"440798828"	NA
"781761"	781761	"LY-3009120"	"CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C"	0	"PK:BRAF,RAF1"	"Clinical trial"	2	2	"-1"	"1454682724"
"781769"	781769	""	"C=CC\N=C\1/NC(=O)\C(=C/c2c[nH]c3ncccc23)\S1"	0	NA	NA	1	1	"440810491"	NA
"781773"	781773	""	"O=C1N\C(=N/CCc2ccccc2)\S/C/1=C/c3c[nH]c4ncccc34"	0	NA	NA	1	1	"440802316"	NA
"781776"	781776	""	"ICC(=O)NC(=O)NC(=O)NCc1ccccc1"	0	NA	NA	1	1	"440810543"	NA
"781861"	781861	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440796465"	NA
"781862"	781862	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4nccc(C)n4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440813330"	NA
"781894"	781894	"ethyl [6-(pentylsulfanyl)-1,3-benzothiazol-2-yl]carbamate"	"CCCCCSc1ccc2nc(NC(=O)OCC)sc2c1"	0	NA	NA	1	1	"440796161"	NA
"781929"	781929	"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,..."	"Nc1nc2c3ccncc3CC(c4cccc(Br)c4)c2c5cnccc15"	0	NA	NA	1	1	"440804123"	NA
"781932"	781932	"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[4,3-c][1..."	"Nc1nc2c3ccncc3CC(c4cccc(Cl)c4)c2c5cnccc15"	0	NA	NA	1	1	"440798861"	NA
"781933"	781933	"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-..."	"Nc1nc2c3ccncc3CC(c4ccc(Cl)c(Cl)c4)c2c5cnccc15"	0	NA	NA	1	1	"440807438"	NA
"781954"	781954	""	"COc1cc2ncnc(c2cc1OC)n3ncc4cc(NC(=O)Nc5ccccc5)ccc34"	0	NA	NA	1	1	"440799372"	NA
"781956"	781956	""	"COc1cc2ncnc(c2cc1OC)n3ncc4cc(NC(=O)Nc5ccc(Cl)c(Cl)c5)ccc34"	0	NA	NA	1	1	"440807783"	NA
"781960"	781960	""	"OC(Cn1cc(\C=C\2/C(=O)Nc3ccccc23)c4ccccc14)Cn5cc(\C=C\6/C(=O)Nc7ccccc67)c8ccccc58"	0	NA	NA	1	1	"440807402"	NA
"782006"	782006	"PTC-691"	"FC(F)(F)c1ccc(Nc2nc(cs2)c3c(nc4ccccn34)C(F)(F)F)cc1"	0	"PK:RET"	"Clinical trial"	2	2	"-1"	"420126303"
"782007"	782007	"AZ-628"	"CN1C=Nc2ccc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)cc2C1=O"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	"878739061"
"782011"	782011	""	"NC(=N)c1ccc(cc1)c2ccc(s2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	1	1	"440801987"	NA
"782013"	782013	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440802188"	NA
"782052"	782052	"11,13-dimethoxy-5,8,9,13b-tetrahydro-6H-isoquinolino[2,1..."	"COc1cc2CCN3C(c4ccccc4NC3=O)c2c(OC)c1"	0	NA	NA	1	1	"440796617"	NA
"782074"	782074	"2-(2-hydroxy-3-methoxy-13-oxo-[1,3]dioxolo[4',5':4,5]ben..."	"COc1cc2c(cc1O)C(=O)N(CCN(C)C)c3c2cnc4cc5OCOc5cc34"	0	NA	NA	2	2	"440811036"	NA
"782118"	782118	NA	"NNCCc1ccc(NC(=O)CCCc2ccc(cc2)C(=O)Nc3ccccc3N)cc1"	0	NA	NA	1	1	"440809918"	NA
"782120"	782120	"3-Bromopyruvic acid"	"OC(=O)C(=O)CBr"	0	NA	NA	1	1	"440805493"	"1113593"
"782121"	782121	"volitinib"	"C[C@@H](c1ccc2nccn2c1)n3nnc4ncc(nc34)c5cnn(C)c5"	0	"PK:MET"	"Clinical trial"	1	1	"-1"	"1313725880"
"782122"	782122	"AMG-511"	"COc1ncc(Nc2ncc(cc2c3nc(C)nc(N)n3)[C@@H](C)N4CCN(CC4)S(=O)(=O)C)cc1F"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1253573533"
"782125"	782125	"JNJ-54302833"	"Cn1cc(cn1)c2ccc(cc2)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7"	0	"FASN"	"Clinical trial"	1	1	"-1"	"1579514161"
"782133"	782133	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440815252"	NA
"782134"	782134	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCCO)C=CC1=O"	0	NA	NA	1	1	"440816406"	NA
"782135"	782135	""	"CC\C=C/C[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	2	2	"440801474"	NA
"782137"	782137	""	"COC(=O)CCC\C=C/C[C@H]1C=CC(=O)/C/1=C/C[C@@H](O)C\C=C/CC(F)(F)F"	0	NA	NA	1	1	"440800003"	NA
"782138"	782138	""	"CC\C=C/C\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)O)C=CC1=O"	0	NA	NA	1	1	"440804223"	NA
"782139"	782139	""	"CC\C=C/C\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440810199"	NA
"782153"	782153	"MG-132"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O"	0	"PSM"	"Clinical trial"	1	1	"-1"	"133407826"
"782154"	782154	"3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2..."	"Oc1ccc(cc1F)C2(C(=O)Nc3ccccc23)c4ccc(O)c(F)c4"	0	"ESR"	""	2	2	"-1"	NA
"782164"	782164	"CX-5461"	"CN1CCCN(CC1)c2ccc3C(=O)C(=C4Sc5ccccc5N4c3n2)C(=O)NCc6cnc(C)cn6"	0	"RNA polymerase I"	"Clinical trial"	2	2	"-1"	"1138549366"
"782180"	782180	"5-(((4-isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmet..."	"CC(C)c1ccc(COCc2cc(CN3CCCC3)c(O)c4ncccc24)cc1"	0	"IAP"	""	2	2	"-1"	NA
"782181"	782181	"5-((benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-..."	"Oc1c(CN2CCCC2)cc(COCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	"440807733"	NA
"782182"	782182	"5-(((4-bromobenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)..."	"Oc1c(CN2CCCC2)cc(COCc3ccc(Br)cc3)c4cccnc14"	0	NA	NA	1	1	"440809954"	NA
"782183"	782183	""	"Oc1c(CN2CCOCC2)cc(COCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	"440802143"	NA
"782184"	782184	""	"Oc1c(CN2CCCC2)cc(CSCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	"440802256"	NA
"782185"	782185	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440813212"	NA
"782186"	782186	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2[nH]cc(C(=O)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	3	2	"440796429"	NA
"782187"	782187	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3cn(Cc4ccccc4)c5ccccc35)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440801381"	NA
"782188"	782188	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440801624"	NA
"782189"	782189	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"Cn1cc(C(=O)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c5cc(Cl)ccc15"	0	NA	NA	1	1	"440815885"	NA
"782190"	782190	"((1ar,7as,10as,10bs,e)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2c(c1)c(cn2C)C(=O)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	3	2	"440798407"	NA
"782200"	782200	""	"COc1cc(\C=C/c2cc(\C=C/c3ccc(O)c(OC)c3)n(n2)C(=O)COc4ccc(Cl)cc4Cl)ccc1O"	0	NA	NA	1	1	"440798996"	NA
"782203"	782203	"8-Quinolinol, 5,5'-methylenebis-[7-[4-(4-morpholinyl)-1-..."	"Oc1c(CN2CCC(CC2)N3CCOCC3)cc(Cc4cc(CN5CCC(CC5)N6CCOCC6)c(O)c7ncccc47)c8cccnc18"	0	NA	NA	1	1	"440812743"	NA
"782249"	782249	"(6-amino-3-(4-methoxyphenyl)-1H-indazol-1-yl)(3,4,5-trim..."	"COc1ccc(cc1)c2nn(C(=O)c3cc(OC)c(OC)c(OC)c3)c4cc(N)ccc24"	0	NA	NA	2	2	"440806808"	NA
"782250"	782250	"(5-amino-3-(4-methylpiperazin-1-yl)-1H-indazol-1-yl)(3,4..."	"COc1cc(cc(OC)c1OC)C(=O)n2nc(N3CCN(C)CC3)c4cc(N)ccc24"	0	NA	NA	1	1	"440807381"	NA
"782285"	782285	""	"CC\C=C/C\C=C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440801237"	NA
"782289"	782289	""	"CC\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440807498"	NA
"782290"	782290	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)N(C)C)C=CC1=O"	0	NA	NA	1	1	"440807641"	NA
"782291"	782291	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OCCS(=O)(=O)c2ccccc2)C=CC1=O"	0	NA	NA	1	1	"440799136"	NA
"782311"	782311	""	"O=C(N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)c4cccnc4"	0	NA	NA	1	1	"440815650"	NA
"782330"	782330	""	"C[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N1C)c4ccccc4"	0	NA	NA	2	2	"440815713"	NA
"782342"	782342	""	"C[C@@]12CC\C=C(\COC(=O)c3cc4ccccc4s3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440809771"	NA
"782349"	782349	"4-(N)-docosahexaenoyl gemcitabine"	"CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F"	0	NA	NA	3	3	"440798691"	NA
"782360"	782360	""	"FC(F)(F)c1cccc(c1)[C@@H]2C[C@]3(O[C@@H](O2)c4cccc(c4)C(F)(F)F)OC(=O)C=C3"	0	NA	NA	1	1	"440799002"	NA
"782361"	782361	""	"COc1cccc2cc(ccc12)N(C)c3nc(C)nc4CCCc34"	0	NA	NA	2	2	"440797059"	NA
"782362"	782362	"PWT-33597"	"COc1cccc2c1nc(C(F)F)n2c3nc(nc(n3)c4ccc(NS(=O)(=O)CCN(C)C)cc4)N5CCOCC5"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1246203326"
"782363"	782363	"CH-5183284"	"Cc1nc2cc(ccc2[nH]1)n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N"	0	"PK:PDGFR,FGFR,VEGFR,FGFR1,FGFR2,FGFR3"	"Clinical trial"	1	1	"-1"	"1265229251"
"782369"	782369	"(2Z,4E)-5-phenyl-2-(phenylsulfinyl)penta-2,4-dienenitrile"	"O=S(\C(=C/C=C/c1ccccc1)\C#N)c2ccccc2"	0	NA	NA	1	1	"440812397"	NA
"782371"	782371	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccccc14"	0	NA	NA	1	1	"440795543"	NA
"782372"	782372	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4cccc(F)c14"	0	NA	NA	1	1	"440807160"	NA
"782378"	782378	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)OC(C)(C)C)cc14"	0	NA	NA	1	1	"440796706"	NA
"782379"	782379	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)CCN5CCCC5)cc14"	0	NA	NA	1	1	"440798634"	NA
"782392"	782392	"variamycin SK"	"CO[C@H]([C@@H](O)C(=O)C)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6"	0	NA	NA	2	2	"440801508"	NA
"782393"	782393	"variamycin SDK"	"CO[C@@H](C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(=O)C"	0	NA	NA	2	2	"440813760"	NA
"782394"	782394	"variamycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](O)[C@H](OC)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	"440804699"	"12677111"
"782482"	782482	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Sc3ccccc3)C4=CCOC4=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440799467"	NA
"782483"	782483	""	"C[C@H](O)C(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]3CCC(=C3[C@@H]2OC(=O)\C=C\c4ccccc4)C)C(C)C"	0	NA	NA	2	2	"440813740"	NA
"782487"	782487	""	"CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]3CCC(=C3[C@@H]2OC(=O)C4CC4c5ccccc5)C"	0	NA	NA	2	2	"440799536"	NA
"782488"	782488	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@](C[C@H]3OC(=O)CO)(C4CCCCC4)[C@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	"440797084"	NA
"782489"	782489	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@](C[C@H]3OC(=O)CO)(C4CC4)[C@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	"440804984"	NA
"782490"	782490	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@@](C[C@H]3OC(=O)CO)([C@H]2OC(=O)\C=C\c4ccccc4)c5ccccc5"	0	NA	NA	2	2	"440796203"	NA
"782512"	782512	""	"NC1=C(C#N)C(c2ccc(F)cc2)c3sc4c(Br)cccc4c3O1"	0	NA	NA	1	1	"440795981"	NA
"782513"	782513	""	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4c(Br)cccc34)C#N"	0	NA	NA	1	1	"440811086"	NA
"782522"	782522	""	"COc1cc(\C=C/c2cc(\C=C/c3ccc(O)c(OC)c3)n(n2)C(=O)CNc4ccc(Cl)cc4)ccc1O"	0	NA	NA	1	1	"440798984"	NA
"782533"	782533	"4-chloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[..."	"CC1Cc2c(Cl)ncnc2N(C)c3ccccc13"	0	NA	NA	1	1	"440801466"	NA
"782535"	782535	"4-chloro-6,8,11-trimethyl-6,11-dihydro-5H-benzo[b]pyrimi..."	"CC1Cc2c(Cl)ncnc2N(C)c3ccc(C)cc13"	0	NA	NA	1	1	"440801687"	NA
"782537"	782537	"4-chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5H-benzo[b..."	"COc1ccc2N(C)c3ncnc(Cl)c3CC(C)c2c1"	0	NA	NA	2	2	"440804200"	NA
"782539"	782539	"4-chloro-8-methoxy-2,6,11-trimethyl-6,11-dihydro-5H-benz..."	"COc1ccc2N(C)c3nc(C)nc(Cl)c3CC(C)c2c1"	0	NA	NA	1	1	"440804287"	NA
"782548"	782548	"4-(1H-benzo[d]imidazol-1-yl)-8-methoxy-6,11-dimethyl-6,1..."	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4cnc5ccccc45"	0	NA	NA	1	1	"440795632"	NA
"782549"	782549	"Defactinib"	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	"PK:FAK"	"Clinical trial"	2	2	"-1"	"1073154854"
"782636"	782636	""	"COc1c(C)cnc(Cn2cc(Cc3ccccc3)c4c(Cl)nc(N)nc24)c1C"	0	NA	NA	1	1	"440802265"	NA
"782638"	782638	""	"Nc1nc(Nc2ccccc2)c3ncn(Cc4cc5OCOc5cc4Br)c3n1"	0	NA	NA	2	2	"440801440"	NA
"782647"	782647	""	"COC(=O)[C@@H](NC(=O)NC(=O)NC(=O)CI)C(C)C"	0	NA	NA	1	1	"440812393"	NA
"782648"	782648	""	"CCC(C)[C@H](NC(=O)NC(=O)NC(=O)CI)C(=O)OC"	0	NA	NA	1	1	"440796175"	NA
"782649"	782649	""	"COC(=O)[C@H](CC(C)C)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	"440796990"	NA
"782650"	782650	""	"CC1(C)OC2[C@@H](CNC(=O)NC(=O)NC(=O)CI)O[C@H]([C@H]2O1)n3cnc4c(NC(=O)Nc5ccccc5)ncnc34"	0	NA	NA	1	1	"440804011"	NA
"782674"	782674	""	"CC(C)[C@@]12C[C@@H](OC(=O)C)[C@@](C)(O1)[C@@H]3CCC(=C3[C@@H]2OC(=O)\C=C\c4ccccc4)C"	0	NA	NA	1	1	"440802410"	NA
"782680"	782680	""	"C1CC2=Cc3ccccc3OC24Oc5ccccc5C=C4C1"	0	NA	NA	1	1	"440811041"	NA
"782694"	782694	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	1	1	"440799277"	NA
"782695"	782695	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccc4ccccc4c3"	0	NA	NA	1	1	"440802701"	NA
"782696"	782696	""	"COc1ccc2cc(ccc2c1)c3ccc(s3)c4ccc(s4)C(=N)N"	0	NA	NA	1	1	"440802353"	NA
"782698"	782698	""	"COc1ccc(cc1)c2oc(cc2)c3oc(cc3)C(=N)N"	0	NA	NA	1	1	"440801224"	NA
"782709"	782709	""	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCc4cc3c2N"	0	NA	NA	2	2	"440815293"	NA
"782736"	782736	"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[3,2-c][1..."	"Nc1nc2c3cccnc3CC(c4cccc(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	"440798459"	NA
"782739"	782739	"11-(3,4,5-Trimethoxyphenyl)-5,6,11,12-tetrahydropyrido[3..."	"COc1cc(cc(OC)c1OC)C2Cc3ncccc3C4=C2c5ncccc5C(=O)N4"	0	NA	NA	2	2	"440812367"	NA
"782755"	782755	""	"CN1CCN(CC1)c2cc(C)nc(NCc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3F)n2"	0	NA	NA	1	1	"440801989"	NA
"782757"	782757	"7-chloro-N-(2-(4-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)pipe..."	"Clc1ccc2c(NCCN3CCN(CC3)c4ccnc(n4)N5CCCC5)ccnc2c1"	0	NA	NA	1	1	"440813145"	NA
"782762"	782762	"E-3810"	"CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12"	0	"PK:PDGFR,FGFR,VEGFR"	"Clinical trial"	2	2	"-1"	"1058137237"
"782763"	782763	"cs-1730"	"C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c3cc(ccc3N1C(=O)C)c4ccc(cc4)C(=O)O"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1300031520"
"782769"	782769	"6-(3-(1H-imidazol-1-yl)propyl)-2,3-difluoro-5H-[1,3]diox..."	"Fc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1F"	0	NA	NA	1	1	"440799229"	NA
"782770"	782770	"(S)-6-(2,3-dihydroxypropyl)-2,3-difluoro-5H-[1,3]dioxolo..."	"OC[C@@H](O)CN1C(=O)c2cc(F)c(F)cc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440802172"	NA
"782771"	782771	"6-(3-(1H-imidazol-1-yl)propyl)-2,3-dichloro-5H-[1,3]diox..."	"Clc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1Cl"	0	NA	NA	1	1	"440801692"	NA
"782772"	782772	"(S)-2,3-dichloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo..."	"OC[C@@H](O)CN1C(=O)c2cc(Cl)c(Cl)cc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	"440810238"	NA
"782785"	782785	""	"CC\C=C/C[C@H](F)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440802158"	NA
"782786"	782786	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)NC)C=CC1=O"	0	NA	NA	1	1	"440812738"	NA
"782788"	782788	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC(C)C)C=CC1=O"	0	NA	NA	1	1	"440814991"	NA
"782789"	782789	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)N)C=CC1=O"	0	NA	NA	1	1	"440816020"	NA
"782844"	782844	"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[3,2-c][1,..."	"Nc1nc2c3cccnc3CC(c4cccc(Br)c4)c2c5ncccc15"	0	NA	NA	1	1	"440815249"	NA
"782845"	782845	"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[3,2-..."	"Nc1nc2c3cccnc3CC(c4ccc(Cl)c(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	"440802759"	NA
"782846"	782846	"(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2csc(c2)c3oc(CO)cc3"	0	NA	NA	2	2	"440815905"	NA
"782880"	782880	""	"CNc1nc(C)c(s1)c2nc(Nc3cccc(c3)S(=O)(=O)N)ncc2F"	0	NA	NA	3	1	"440802109"	NA
"782881"	782881	""	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1"	0	NA	NA	2	2	"440797024"	NA
"782882"	782882	""	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1"	0	NA	NA	2	2	"440813695"	NA
"782885"	782885	"2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-..."	"FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N4[C@H](\C=C\c5ccccc5)[C@H](N6[C@H](COC6=O)c7ccccc7)C4=O)c1"	0	NA	NA	1	1	"440815063"	"512784202"
"782886"	782886	"[1,4'-Bipiperidine]-1'-butanamide, alpha-[(3S,4R)-3-meth..."	"C[C@@]1([C@@H](\C=C\c2ccccc2)N([C@H](CC(=O)N3CCC(CC3)N4CCCCC4)C(=O)NCc5cccc(c5)C(F)(F)F)C1=O)N6[C@H](COC6=O)c7ccccc7"	0	NA	NA	1	1	"440804932"	"850355112"
"782890"	782890	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)CCN5CCCCC5)cc14"	0	NA	NA	2	2	"440811004"	NA
"782892"	782892	""	"O=C(OCCN1CCCCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	"440799410"	NA
"782893"	782893	""	"O=C(OCCN1CCOCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	"440810241"	NA
"782896"	782896	"ATRN-119"	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)N(C)CCOCCOCCOc12"	0	NA	NA	1	1	"440810303"	NA
"782919"	782919	"N-[3-[[2-[4-[2-(difluoromethoxy)ethoxy]anilino]-5-fluoro..."	"FC(F)OCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1"	0	NA	NA	1	1	"440810395"	NA
"782920"	782920	"methysulfinylpentenl Isothiocyanate"	"CS(=O)CCCCCN=C=S"	0	NA	NA	1	1	"440799275"	"646231"
"782942"	782942	""	"CCNCCNc1cc(C2CCCCC2)c(C#N)c3nc4ccccc4n13"	0	NA	NA	1	1	"440804426"	NA
"782947"	782947	""	"CCOC(=O)C#Cc1c(nnn1[C@@H]2O[C@H](CO)[C@H]3OC4(CCCCC4)O[C@@H]23)C(=O)OCC"	0	NA	NA	1	1	"440810281"	NA
"782948"	782948	""	"CCOC(=O)C#Cc1c(nnn1Cc2ccc(cc2)[N+](=O)[O-])C(=O)OCC"	0	NA	NA	1	1	"440796225"	NA
"782949"	782949	""	"CCOC(=O)C#Cc1c(nnn1Cc2ccc(cc2)C(F)(F)F)C(=O)OCC"	0	NA	NA	1	1	"440807573"	NA
"782950"	782950	""	"CCOC(=O)Cc1nnn([C@H]2O[C@@H](CO)[C@@H]3OC(C)(C)O[C@H]23)c1C#CC(=O)OCC"	0	NA	NA	1	1	"440806949"	NA
"782951"	782951	""	"CCOC(=O)C#Cc1c(nnn1[C@@H]2O[C@H](COC)[C@@H](OC)[C@H]2OC)C(=O)OCC"	0	NA	NA	1	1	"440812979"	NA
"782954"	782954	"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (1N)"	"CC1OC(CC(O)C1O)n2c3ccccc3c4c5C(=O)N(CCN6CCOCC6)C(=O)c5c7c8ccccc8[nH]c7c24"	0	NA	NA	1	1	"440796998"	NA
"782957"	782957	"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (2N)"	"CC12OC(CC(O)C1O)n3c4ccccc4c5c6C(=O)N(CCN7CCOCC7)C(=O)c6c8c9ccccc9n2c8c35"	0	NA	NA	1	1	"440810376"	NA
"782958"	782958	"N-[2-(pyrrolidin-1-yl)-ethyl]-L-olivosyl-AF (2N)"	"CC12OC(CC(O)C1O)n3c4ccccc4c5c6C(=O)N(CCN7CCCC7)C(=O)c6c8c9ccccc9n2c8c35"	0	NA	NA	1	1	"440798623"	NA
"782960"	782960	"N-[N',N'-(dimethylamino)ethyl]-L-olivosyl-AF (2N)"	"CN(C)CCN1C(=O)c2c(C1=O)c3c4ccccc4n5c3c6c2c7ccccc7n6C8CC(O)C(O)C5(C)O8"	0	NA	NA	1	1	"440811033"	NA
"782961"	782961	"N-[2-(((1R,2R)-2-aminocyclopentyl)amino)ethyl]-L-olivosy..."	"CC1OC(CC(O)C1O)n2c3ccccc3c4c5C(=O)N(CCN[C@@H]6CCC[C@H]6N)C(=O)c5c7c8ccccc8[nH]c7c24"	0	NA	NA	1	1	"440811037"	NA
"782965"	782965	"8-Quinolinol, 5,5'-methylenebis-"	"Oc1ccc(Cc2ccc(O)c3ncccc23)c4cccnc14"	0	NA	NA	1	1	"440816001"	"2536712"
"782967"	782967	"8-Quinolinol, 5,5'-methylenebis-[7-([1,4'-bipiperidin]-1..."	"Oc1c(CN2CCC(CC2)N3CCCCC3)cc(Cc4cc(CN5CCC(CC5)N6CCCCC6)c(O)c7ncccc47)c8cccnc18"	0	NA	NA	1	1	"440798830"	NA
"782968"	782968	"8-Quinolinol, 5-[[1,4'-bipiperidin]-1'-ylmethyl]-"	"Oc1ccc(CN2CCC(CC2)N3CCCCC3)c4cccnc14"	0	NA	NA	1	1	"440812680"	NA
"783015"	783015	"CGM-097"	"COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c4ccc(cc4)N(C)C[C@@H]5CC[C@H](CC5)N6CCN(C)C(=O)C6"	0	"MDM2"	"Clinical trial"	2	2	"-1"	"1313363540"
"783072"	783072	""	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCNCC5)[N+](=O)[O-]"	0	NA	NA	1	1	"440810502"	NA
"783073"	783073	"7-Aza-5, 6-dihydro-6-(3-bromopropyl)-9-methoxy-3-nitro-5..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	NA	NA	1	1	"440806788"	NA
"783074"	783074	"7-Aza-5,6-dihydro-6-[3-(4-pyrrolidine-1-yl)propyl]-9-met..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCCC5)[N+](=O)[O-]"	0	NA	NA	1	1	"440813214"	NA
"783075"	783075	"7-Aza-5,6-dihydro-6-[3-(3H-methylpiperazine-1-yl)propyl]..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCN(C)CC5)[N+](=O)[O-]"	0	NA	NA	1	1	"440814995"	NA
"783076"	783076	""	"CNCCCN1C(=O)c2cc(ccc2C3=C1c4ncc(OC)cc4C3=O)[N+](=O)[O-]"	0	NA	NA	1	1	"440810382"	NA
"783085"	783085	""	"CCCCCCCCCCCCCC(=O)C(C)N"	0	NA	NA	1	1	"440801736"	NA
"783086"	783086	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4ccc(Cl)nn4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	"440813356"	NA
"783090"	783090	"2-(4-chlorophenyl)-5,7-dihydroxy-4H-chromene-4-thione"	"Oc1cc(O)c2C(=S)C=C(Oc2c1)c3ccc(Cl)cc3"	0	NA	NA	2	2	"440809648"	NA
"783091"	783091	"2-(4-bromophenyl)-7,8-dihydroxy-4H-chromene-4-thione"	"Oc1ccc2C(=S)C=C(Oc2c1O)c3ccc(Br)cc3"	0	NA	NA	1	1	"440815346"	NA
"783093"	783093	""	"C\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCC3)cc2)\c4ccccc4"	0	NA	NA	1	1	"440801291"	NA
"783094"	783094	""	"CCCCCCCCCC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccccc2)\c3ccc(OCCN4CCCC4)cc3"	0	NA	NA	1	1	"440809613"	NA
"783098"	783098	"4-(2-benzyl-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)but-1..."	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCC3)cc2)\Cc4ccccc4"	0	NA	NA	1	1	"440810305"	NA
"783099"	783099	""	"CC[n+]1ccc2c(c1)C(=O)c3nccc4c5ccccc5nc2c34"	0	NA	NA	2	2	"440815729"	NA
"783100"	783100	""	"O=C1c2c[n+](Cc3ccccc3)ccc2c4nc5ccccc5c6ccnc1c46"	0	NA	NA	2	2	"440801916"	NA
"783102"	783102	"VS-4718"	"CNC(=O)c1ccccc1Nc2cc(Nc3ccc(cc3OC)N4CCOCC4)ncc2C(F)(F)F"	0	"PK:FAK"	"Clinical trial"	2	2	"-1"	"1061353681"
"783105"	783105	""	"COc1ccc(cc1OC)\C(=C\c2ccc3ccccc3c2)\c4nnn[nH]4"	0	NA	NA	1	1	"440796168"	NA
"783107"	783107	"E-7449"	"O=C1NNc2nc(CN3Cc4ccccc4C3)nc5cccc1c25"	0	"PARP1|PARP2"	"Clinical trial"	1	1	"-1"	"1140964993"
"783154"	783154	"7-bromo-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)-4..."	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)\C(=C/4\C(=O)Nc5ccc(Cl)cc45)\S3)c6ccc7ccccc7c6"	0	NA	NA	2	2	"440809672"	NA
"783155"	783155	"5-methoxy-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)..."	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)\C(=C/4\C(=O)Nc5ccc(OC)cc45)\S3)c6ccc7ccccc7c6"	0	NA	NA	2	2	"440801509"	NA
"783178"	783178	""	"O=C1CC(Nc2cc3OCOc3cc12)c4ccc5OCOc5c4"	0	NA	NA	1	1	"440808243"	NA
"783191"	783191	"N-(2-aminoethyl)-3-(3,5-di-tert-butylbenzamido)-2-naphth..."	"CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cc3ccccc3cc2C(=O)NCCN"	0	NA	NA	1	1	"440809924"	NA
"783200"	783200	"Alternol"	"Oc1cccc2[C@H](CCC(=O)c12)c3ccc(O)c4C(=O)[C@H]5O[C@H]5C(=O)c34"	0	NA	NA	1	1	"440799627"	NA
"783206"	783206	""	"Cc1cn2c(\C=C/3\C(=O)Nc4c3ccc5ccccc45)c(nc2s1)C(F)(F)F"	0	NA	NA	1	1	"440810492"	NA
"783209"	783209	""	"CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)ccc23)ccn1"	0	NA	NA	1	1	"440807341"	NA
"783219"	783219	"Coumarin Derivative of Gichigamin A"	"CCN(CC)c1ccc2C=C(NC(=O)OCCNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)NC(=O)CCNC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@@](C)(CC)NC(=O)[C@H](Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(C)(C)NC(=O)C6CCCN6C(=O)C(C)(C)NC(=O)C)C(=O)Oc2c1"	0	NA	NA	1	1	"440812392"	NA
"783223"	783223	"FC101a"	"CC1(C)CC(=O)c2c(N)c(ccc2O1)C(=O)C[C@@H](N)CO"	0	NA	NA	2	2	"440807193"	NA
"783224"	783224	"FC01e"	"CC1(C)CC(=O)c2c(N)c(ccc2O1)C(=O)C[C@H](N)CO"	0	NA	NA	2	2	"440815196"	NA
"783229"	783229	"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin..."	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCCCCC(=O)NO)c4c3"	0	NA	NA	3	2	"440809610"	NA
"783230"	783230	"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin-3-yl)quinolin-4-yl)hept-6-ynoic acid"	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCCCCC(=O)O)c4c3"	0	NA	NA	1	1	"440807807"	NA
"783233"	783233	""	"Clc1cccc(Cl)c1N2C(=O)\C(=C/c3cccn3Cc4ccccc4)\c5ccccc25"	0	NA	NA	2	2	"440796648"	NA
"783239"	783239	"2-(1H-indol-3-yl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-..."	"C[C@@]12CC\C=C(\CNC(=O)Cc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440804489"	NA
"783241"	783241	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNC(=O)c3cc4ccccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440798667"	NA
"783249"	783249	"JNJ-26483327"	"COc1cc2ncnc3Nc4cc(Br)ccc4CN(C)CCCCCOc1cc23"	0	"PK:EGFR,ERBB2,SRC,VEGFR,RET,Multikinase"	"Clinical trial"	1	1	"-1"	"807640875"
"783272"	783272	"JNJ-47117096"	"c1(ccc(c(c1)OC)C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1"	0	"PK:MELK"	"Clinical trial"	1	1	"-1"	NA
"783294"	783294	"VT-464"	"CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[nH]nn3"	0	"CYP17A1"	"Clinical trial"	1	1	"-1"	"1610537159"
"783296"	783296	"poziotinib"	"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C"	0	"PK:EGFR,ERBB2,Multikinase"	"Clinical trial"	2	2	"-1"	"1092364389"
"783297"	783297	"3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8CC(OC)[C@@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	"440807154"	NA
"783298"	783298	"3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](O)[C@@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	"440808250"	NA
"783299"	783299	"4C-hydroxy-variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](OC)[C@H](O)C(C)O8)[C@@H](O)C(C)O7)C(O)(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	"440802390"	NA
"783300"	783300	"5A-hydroxy-variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)(O)O4)cc(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](OC)[C@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	"440807554"	NA
"783303"	783303	""	"COc1ccc(cc1O)c2nnc3N(C)C(=O)c4ccccc4n23"	0	NA	NA	2	2	"440810541"	NA
"783304"	783304	""	"COc1ccc(cc1N)c2nnc3N(C)C(=O)c4ccccc4n23"	0	NA	NA	1	1	"440815316"	NA
"783333"	783333	"SGI-1027"	"Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1"	0	"DNMT"	"Clinical trial"	1	1	"-1"	"1020149738"
"783356"	783356	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(C[C@@H](O)[C@H]5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	"440807478"	NA
"783407"	783407	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(CN(Cc3ccc(Cl)cc3)CC(=O)N[C@@H](C(C)C)C(=O)O1)n2"	0	NA	NA	1	1	"440816413"	NA
"783415"	783415	"CB-839"	"FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1"	0	"GLS"	"Clinical trial"	1	1	"-1"	"1439399582"
"783430"	783430	"(1aR,7aS,10aS,10bS,E)-5-((4-(4-fluorophenyl)-1H-1,2,3-tr..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccc(F)cc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440798766"	NA
"783431"	783431	"(1aR,7aS,10aS,10bS,E)-5-((4-(4-methoxyphenyl)-1H-1,2,3-t..."	"COc1ccc(cc1)c2cn(C\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)nn2"	0	NA	NA	1	1	"440802437"	NA
"783432"	783432	"(1aR,7aS,10aS,10bS,E)-5-((4-(3-chlorophenyl)-1H-1,2,3-tr..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4cccc(Cl)c4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440813759"	NA
"783510"	783510	"12,13-Diallyl-6-hydroxy-12,13-dihydro-5H-indolo[2,3-a]py..."	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CC=C)c3c5c2c6ccccc6n5CC=C"	0	NA	NA	1	1	"440799039"	NA
"783515"	783515	"N,N-Diethyl-6-(6-hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-1..."	"CCN(CC)C(=O)CCCCCn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6[nH]c5c13"	0	NA	NA	1	1	"440798645"	NA
"783516"	783516	"Methyl (5a,12b,19a)-15-acetoxy-16-methoxy-2,3,6,7-tetrad..."	"CC[C@@]12CC(=C3Nc4cc(OC)c(OC(=O)C)cc4[C@@]35CCN(CC=C1)[C@@H]25)C(=O)OC"	0	NA	NA	1	1	"440811020"	NA
"783523"	783523	""	"Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	"440798566"	NA
"783532"	783532	""	"CSc1ccc(cc1)N(C)c2nc(C)nc3CCCc23"	0	NA	NA	1	1	"440795901"	NA
"783538"	783538	"silvestrol"	"CO[C@@H]1OC[C@@H](O[C@H]1Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c5ccccc5)c6ccc(OC)cc6)c2)[C@H](O)CO"	0	NA	NA	2	2	"440809436"	NA
"783549"	783549	"4-chloro-N-(2-(4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazo..."	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCNS(=O)(=O)c4ccc(Cl)cc4)c3)c5ccccc5"	0	NA	NA	1	1	"440802735"	NA
"783553"	783553	"3-fluoro-N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyraz..."	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4cccc(F)c4)c3)c5ccccc5"	0	NA	NA	1	1	"440805512"	NA
"783554"	783554	NA	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3)c5ccccc5"	0	NA	NA	1	1	"440815802"	NA
"783604"	783604	"Azonafides"	"COc1ccc2C(=O)N(CCN(C)CCN)C(=O)c3c4ccccc4cc1c23"	0	NA	NA	1	1	"440795559"	NA
"783616"	783616	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(c(c3)C#Cc4cnc5cccnn45)C(C)(C)C)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"440812660"	NA
"783617"	783617	NA	"CN1[C@@H](CSSC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC1=O)C(=O)NCCc4nc5ccccc5cc4O"	0	NA	NA	2	2	"440808232"	NA
"783624"	783624	NA	"COc1ccc(cc1OC)c2oc(COc3ccc(Cl)cc3Cl)nn2"	0	NA	NA	1	1	"440816086"	NA
"783628"	783628	NA	"NC1=C(C#N)C(c2ccc(cc2)[N+](=O)[O-])c3sc4c(Br)cccc4c3O1"	0	NA	NA	2	2	"440795675"	NA
"783630"	783630	NA	"NC1=C(C#N)C(c2ccc(Br)cc2)c3sc4c(Br)cccc4c3O1"	0	NA	NA	1	1	"440810369"	NA
"783634"	783634	NA	"CC\C=C/C[C@@H](O)C\C=C\1/[C@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440813342"	NA
"783635"	783635	NA	"CC\C=C/C[C@@H]1C\C=C\2/[C@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	1	1	"440809895"	NA
"783636"	783636	NA	"O[C@@H](CCc1cccc(c1)C(F)(F)F)C\C=C\2/[C@@H](C\C=C/CCCC(=O)O)C=CC2=O"	0	NA	NA	1	1	"440796354"	NA
"783638"	783638	NA	"FC(F)(F)c1cccc(CC[C@H]2C\C=C\3/[C@@H](C\C=C/CCCC(=O)O2)C=CC3=O)c1"	0	NA	NA	1	1	"440804726"	NA
"783640"	783640	NA	"COC1=C(C)C(=O)c2c(C1=O)c(CCCl)c3C(O)CCn23"	0	NA	NA	2	2	"440799204"	NA
"783641"	783641	NA	"COC1=C(C)C(=O)c2c(C1=O)c(CCCl)c3C(CCn23)OC(=O)C"	0	NA	NA	2	2	"440798454"	NA
"783651"	783651	NA	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4c(C)nc5ccccc45"	0	NA	NA	1	1	"440813046"	NA
"783681"	783681	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C(=O)Nc5nc(cs5)c6ccccc6)c(F)cc3C1=O"	0	NA	NA	1	1	"440813241"	NA
"783685"	783685	NA	"COC(=O)[C@H](C)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	"440804097"	NA
"783686"	783686	NA	"COC(=O)C(Cc1ccccc1)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	"440795722"	NA
"783696"	783696	NA	"COc1ccc(\C=C\2/C=C(N(CCc3ccccc3)C2=O)c4ccccc4)cc1OC"	0	NA	NA	1	1	"440807021"	NA
"783699"	783699	NA	"CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(NC[C@@H]4CCCO4)n3)cc2"	0	NA	NA	1	1	"440807883"	NA
"783700"	783700	NA	"CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)n3)cc2"	0	NA	NA	2	2	"440801893"	NA
"783733"	783733	NA	"CCOc1ccc2nc(nc(Nc3ccc(cc3)c4cn[nH]c4)c2c1)c5cccc(OCC(=O)NC(C)C)c5"	0	NA	NA	2	2	"440816016"	NA
"783765"	783765	NA	"CN(C)c1ccc2cc(c(N)nc2c1)c3ccccc3F"	0	NA	NA	1	1	"440809666"	"1630743735"
"783774"	783774	NA	"CCNCCNc1cc(c2ccc(cc2)C(=O)OC)c(C#N)c3nc4ccccc4n13"	0	NA	NA	1	1	"440796184"	NA
"783799"	783799	NA	"CN1CCN(CCCOC(=O)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25)CC1"	0	NA	NA	2	2	"440807612"	NA
"783800"	783800	NA	"O=C(OCCCN1CCOCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	"440815752"	NA
"783801"	783801	NA	"O=C(OCCCN1CCCCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	"440815084"	NA
"783804"	783804	NA	"CN1CCN(CCCNC(=O)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25)CC1"	0	NA	NA	2	2	"440802045"	NA
"783805"	783805	NA	"O=C(OCCc1ccccn1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	"440797057"	NA
"783806"	783806	NA	"O=C(NCCn1ccnc1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	1	1	"440799111"	NA
"783807"	783807	NA	"CCN(CC)CCCNC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccccc14"	0	NA	NA	1	1	"440812908"	NA
"783833"	783833	NA	"COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)\[C@@H](O)CCc2c1"	0	NA	NA	2	2	"440805189"	NA
"783834"	783834	NA	"COc1ccc2c(CCc3n[nH]c(c4cc(OC)c(OC)c(OC)c4)c23)c1"	0	NA	NA	1	1	"440802234"	NA
"783835"	783835	NA	"COc1ccc(\C=C/2\[C@@H](O)CCc3c(OC)c(OC)c(OC)cc23)cc1F"	0	NA	NA	1	1	"440814993"	NA
"783840"	783840	NA	"COC(=O)CCC(=O)C(=O)OC"	0	NA	NA	1	1	"440809967"	"13192046"
"783854"	783854	NA	"COCCn1cc(c2csc(n2)c3c[nH]c4ccccc34)c5cccnc15"	0	NA	NA	1	1	"440812664"	NA
"783857"	783857	NA	"COCCn1cc(c2nc(cs2)c3cc4cccnc4[nH]3)c5cc(OC)ccc15"	0	NA	NA	2	2	"440812628"	NA
"783865"	783865	NA	"COCCn1cc(c2csc(n2)c3c[nH]c4ccc(F)cc34)c5cccnc15"	0	NA	NA	1	1	"440816428"	NA
"783893"	783893	NA	"COc1ccc(CCN(CC(=O)N(CC(=O)N)C2CCC[C@@H]2OCc3ccccc3)C(=O)CN([C@H](C)C4CCCCC4)C(=O)CN(CCc5ccc(Cl)cc5)C(=O)CN([C@H](C)C6CCCCC6)C(=O)CN(C)Cc7ccccc7F)cc1OC"	0	NA	NA	1	1	"440805125"	NA
"783894"	783894	NA	"COc1ccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)cc1"	0	NA	NA	1	1	"440812372"	NA
"783903"	783903	NA	"CC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440795579"	NA
"783904"	783904	NA	"COc1ccc(Nc2ncnc3ccc(cc23)c4cncc(NS(=O)(=O)C)c4)cc1Cl"	0	NA	NA	1	1	"440813023"	NA
"783905"	783905	NA	"CS(=O)(=O)Nc1cncc(c1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	"440812530"	NA
"783906"	783906	NA	"CS(=O)(=O)Nc1cncc(c1)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2"	0	NA	NA	1	1	"440813076"	NA
"783908"	783908	NA	"Nc1ncc(cn1)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	2	1	"440810688"	NA
"783912"	783912	NA	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440799434"	NA
"783913"	783913	NA	"C[C@@]12CC\C=C(\CNC(=O)c3c[nH]c4ccc(F)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440805071"	NA
"783914"	783914	NA	"C[C@@]12CC\C=C(\CNS(=O)(=O)c3ccc4ccccc4c3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440795773"	NA
"783915"	783915	NA	"COc1cc(\C=C\C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc(OC)c1OC"	0	NA	NA	1	1	"440801705"	NA
"783916"	783916	"pyridoclax"	"Cc1cc(cnc1c2cccnc2)c3ncc(cc3\C=C\c4ccccc4)c5cccnc5"	0	"MCL1"	"Clinical trial"	2	1	"-1"	"1651890446"
"783919"	783919	"1-Methoxy-3-(2-nitrovinyl)benzene"	"COc1cccc(\C=C\[N+](=O)[O-])c1"	0	NA	NA	1	1	"440810255"	NA
"783921"	783921	NA	"COc1cccc(NCc2nnc(Nc3ccc(Cl)cc3)c4ccccc24)c1"	0	NA	NA	1	1	"440801714"	NA
"784013"	784013	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440805176"	NA
"784014"	784014	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440810670"	NA
"784015"	784015	NA	"CC[C@H](C)[C@H](NC(=O)C12CC(C1)(C2)NC)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c3nc(cs3)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc4ccccc4)C(C)C"	0	NA	NA	2	2	"440804270"	NA
"784016"	784016	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)NC34C5C6C3C7C4C5C67C(=O)OC)C(C)C"	0	NA	NA	2	2	"440811064"	NA
"784017"	784017	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)NC34CC(C3)(C4)C(=O)OC)C(C)C"	0	NA	NA	2	2	"440799116"	NA
"784021"	784021	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)CN(C)C)C3CC3)OC(=O)C"	0	NA	NA	2	2	"440797036"	NA
"784022"	784022	NA	"CNC12C3C4C1C5C2C3C45C(=O)N[C@@H](C6CC6)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c7nc(cs7)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc8ccccc8)C(C)C"	0	NA	NA	2	2	"440810586"	NA
"784076"	784076	NA	"Cc1cc(nc(n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4ccc5OCOc5c4)N6CCOCC6"	0	NA	NA	1	1	"440815157"	NA
"784085"	784085	NA	"Cc1ccc(cc1)c2csc(NC(=O)N3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)n2"	0	NA	NA	1	1	"440804334"	NA
"784141"	784141	NA	"CCN1CCN(CC1)c2cc(C)nc(NCc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3F)n2"	0	NA	NA	1	1	"440812376"	NA
"784145"	784145	NA	"Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(Nc4ccc(cc4)C(=O)N5CCCCC5)n1"	0	NA	NA	1	1	"440802170"	NA
"784146"	784146	NA	"Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(Nc4ccc(cc4)C(=O)N5CCCC5)n1"	0	NA	NA	1	1	"440799249"	NA
"784147"	784147	NA	"Clc1ccc2c(NCCCCNc3ccnc(Nc4ccc(cc4)C(=O)N5CCCCC5)n3)ccnc2c1"	0	NA	NA	1	1	"440806795"	NA
"784174"	784174	NA	"Brc1ccc(\C=C\2/C=C(N(CCc3ccccc3)C2=O)c4ccccc4)cc1"	0	NA	NA	1	1	"440815150"	NA
"784186"	784186	NA	"CCCCOc1nc2ccccc2cc1C3CNC(=O)c4ccccc4N3"	0	NA	NA	2	1	"440796105"	NA
"784215"	784215	NA	"CN(C)CC1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)c4cc5ccccc5[nH]4"	0	NA	NA	2	2	"440815386"	NA
"784216"	784216	NA	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccc(Cl)cc3Cl)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440812370"	NA
"784222"	784222	NA	"O[C@@H]1CC[C@@H](CC1)Oc2cccc3cnc(Nc4ccc5nc[nH]c5c4)nc23"	0	NA	NA	1	1	"440799040"	NA
"784230"	784230	NA	"Cc1nc2CCCc2c(n1)N3CCCc4ccccc34"	0	NA	NA	1	1	"440802381"	NA
"784252"	784252	NA	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]4C[C@@H]5CN(C)C[C@@H]5C4"	0	NA	NA	2	2	"440810403"	NA
"784260"	784260	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(CC(=O)[C@H]5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	"440799928"	NA
"784263"	784263	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(CC=C5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	"440802195"	NA
"784289"	784289	NA	"COc1ccc(cc1)C2=NC3=C(C(c4ccc(Cl)cc4)c5sc6c(Cl)cccc6c5O3)C(=O)N2C(=O)C"	0	NA	NA	1	1	"440795642"	NA
"784310"	784310	NA	"Cc1ccc(cc1)S(=O)(=O)N2CC3=C(c4ccccc4)c5ccccc5C3=C(C2)S(=O)(=O)c6ccc(C)cc6"	0	NA	NA	1	1	"440806841"	NA
"784318"	784318	NA	"CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n3"	0	NA	NA	2	2	"440815861"	NA
"784319"	784319	NA	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)N1"	0	NA	NA	2	2	"440816066"	NA
"784320"	784320	NA	"CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c3"	0	NA	NA	2	2	"440795569"	NA
"784348"	784348	NA	"Nc1ncnc2c1c(nn2C[C@@H]3SSC[C@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440815167"	NA
"784349"	784349	NA	"Nc1ncnc2c1c(nn2C[C@H]3SSC[C@@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440799422"	NA
"784350"	784350	NA	"Nc1ncnc2c1c(nn2C[C@@H]3SSC[C@@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440810229"	NA
"784351"	784351	NA	"Nc1ncnc2c1c(nn2C[C@H]3SSC[C@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440806982"	NA
"784390"	784390	NA	"OC(=O)\C(=C\c1cn(c2ccccc2)c3ccccc13)\C#N"	0	NA	NA	1	1	"440796535"	"56396351"
"784400"	784400	NA	"CCCC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	"440801925"	NA
"784403"	784403	NA	"Nc1ncc(cn1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	"440796145"	NA
"784404"	784404	NA	"Fc1ccc(Nc2ncnc3ccc(cc23)c4cnc5[nH]ccc5c4)cc1Cl"	0	NA	NA	2	2	"440812977"	NA
"784405"	784405	NA	"CS(=O)(=O)Nc1cccc(c1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440804651"	NA
"784409"	784409	NA	"CS(=O)(=O)Nc1cccc(c1)c2ccc3ncnc(Nc4cncc(Cl)c4)c3c2"	0	NA	NA	1	1	"440815564"	NA
"784415"	784415	"Danusertib"	"CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5"	0	"BCR-ABL|PK:YK,AURK,FGFR,RET"	"Clinical trial"	2	2	"-1"	"827318978"
"784474"	784474	NA	"CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3C(=O)C4=C[C@@H]5C[C@H]6C(C)(C)O[C@@](C\C=C(\C)/C(=O)O)(C5=O)[C@@]46Oc13)C"	0	NA	NA	1	1	"497399990"	NA
"784527"	784527	NA	"CC[C@H](C)[C@H](NC(=O)c1ccccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440804069"	NA
"784528"	784528	NA	"CC[C@H](C)[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440804387"	NA
"784529"	784529	NA	"CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440815808"	NA
"784530"	784530	NA	"CC[C@H](C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc2ccccc2)C(C)C"	0	NA	NA	2	2	"440804945"	NA
"784531"	784531	NA	"CC[C@H](C)[C@H](NC(=O)C12CC(C1)(C2)NC(=O)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c3nc(cs3)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc4ccccc4)C(C)C"	0	NA	NA	2	2	"440813186"	NA
"784532"	784532	NA	"CC[C@H](C)[C@H](NC(=O)C12C3C4C1C5C2C3C45NC(=O)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c6nc(cs6)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc7ccccc7)C(C)C"	0	NA	NA	2	2	"440804826"	NA
"784533"	784533	NA	"CC[C@H](C)[C@H](NC(=O)C12C3C4C1C5C2C3C45NC)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c6nc(cs6)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc7ccccc7)C(C)C"	0	NA	NA	2	2	"440812519"	NA
"784574"	784574	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNC5=NCCS5)[N+](=O)[O-]"	0	NA	NA	1	1	"440804713"	NA
"784575"	784575	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNCCN5CCOCC5)[N+](=O)[O-]"	0	NA	NA	1	1	"440811040"	NA
"784576"	784576	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNC(C)C)[N+](=O)[O-]"	0	NA	NA	1	1	"440813160"	NA
"784577"	784577	NA	"CCNCCCN1C(=O)c2cc(ccc2C3=C1c4ncc(OC)cc4C3=O)[N+](=O)[O-]"	0	NA	NA	1	1	"440802440"	NA
"784584"	784584	NA	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O"	0	NA	NA	1	1	"440804899"	NA
"784590"	784590	"altiratinib"	"Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3cc(F)c(Oc4ccnc(NC(=O)C5CC5)c4)cc3F)cc1"	0	"PK:MET,NTRK,VEGFR,TEK,KDR"	"Clinical trial"	2	2	"-1"	"1345847939"
"784591"	784591	"CCT-251545"	"Cn1cc(cn1)c2ccc(cc2)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4"	0	"Wnt|PK:CDK19"	"Clinical trial"	1	1	"-1"	NA
"784601"	784601	NA	"COc1cc(cc(OC)c1OC)c2cc3ncccc3c4NC(=O)c5cccnc5c24"	0	NA	NA	1	1	"440809877"	NA
"784602"	784602	NA	"COc1cc(cc(OC)c1OC)c2cc3ncccc3c4nc(N)c5cccnc5c24"	0	NA	NA	1	1	"440807374"	NA
"784604"	784604	NA	"Clc1cccc(c1)c2cc3cnccc3c4NC(=O)c5ccncc5c24"	0	NA	NA	1	1	"440816420"	NA
"784694"	784694	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ncccc13"	0	NA	NA	2	2	"440801551"	NA
"784697"	784697	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ccccc13"	0	NA	NA	2	2	"440804644"	NA
"784698"	784698	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)cc(OC)c2)n3ncccc13"	0	NA	NA	1	1	"440812535"	NA
"784700"	784700	NA	"Cc1cccc2c1NC(=O)C2(c3ccc(O)cc3)c4ccc(O)cc4"	0	NA	NA	2	2	"440810036"	NA
"784722"	784722	"aldoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCCCCN6C(=O)C=CC6=O)\CO"	0	"TOP2"	"Clinical trial"	2	2	"-1"	"1361644269"
"784743"	784743	NA	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)N5CCNCC5"	0	NA	NA	1	1	"440812595"	NA
"784812"	784812	NA	"CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)C(C)C"	0	NA	NA	2	2	"440816030"	NA
"784814"	784814	NA	"CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)NC23CC(C2)(C3)C(=O)OC)C(C)C"	0	NA	NA	2	2	"440805515"	NA
"784815"	784815	"AZD-3147"	"C[C@H]1COCCN1c2cc(nc(n2)c3ccc(NC(=S)NCCO)cc3)C4(CC4)S(=O)(=O)C5CC5"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1101810029"
"784817"	784817	"A-1210477"	"CN(C)S(=O)(=O)N1CCN(CC1)c2ccc(OCc3c(c(C)nn3C)c4cccc5c(CCCOc6cccc7ccccc67)c(C(=O)O)n(CCN8CCOCC8)c45)cc2"	0	"MCL1"	"Clinical trial"	1	1	"-1"	NA
"784818"	784818	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	1	1	"440815318"	NA
"784856"	784856	"CPI-0610"	"Cc1noc2[C@H](CC(=O)N)N=C(c3ccc(Cl)cc3)c4ccccc4c12"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1380087897"
"784874"	784874	NA	"OC[C@H]1O[C@@H](O[C@@H](CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O"	0	NA	NA	1	1	"440807448"	NA
"784928"	784928	NA	"COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5[nH]ccc45"	0	NA	NA	1	1	"440815187"	NA
"784929"	784929	NA	"COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4ccc5cc[nH]c5c4"	0	NA	NA	1	1	"440807124"	NA
"784961"	784961	NA	"CCOC(=O)c1c(C)nc2N(Cc3ccc(OC)cc3)C(=O)Cc2c1N"	0	NA	NA	1	1	"440812936"	NA
"784983"	784983	NA	"COc1ccc(CN2c3ccccc3Sc4ccccc24)cc1F"	0	NA	NA	2	2	"440815914"	NA
"785004"	785004	"MLN-7243"	"NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[C@H](O)[C@@H]1O"	0	"UB-activating"	"Clinical trial"	2	2	"-1"	"1450833552"
"785025"	785025	NA	"Cc1cc2c(NC(=O)C#C)cccc2n1c3nc4CCCCc4c(NCc5ccccc5)n3"	0	NA	NA	2	2	"440798410"	NA
"785026"	785026	NA	"O=C(Nc1cccc(Nc2nc3CCCCc3c(NCc4ccccc4)n2)c1)C#C"	0	NA	NA	2	2	"440795657"	NA
"785117"	785117	"PQR-309"	"Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1225037397"
"785119"	785119	NA	"[Cl-][Pt+2]1([Cl-])NC2CCC(CC2)N1"	0	NA	NA	2	2	"440810172"	NA
"785142"	785142	NA	"CC1=C(Cl)C[C@]2(CC1)C(=C)C[C@H](O)[C@H](Br)C2(C)C"	0	NA	NA	1	1	"440807001"	NA
"785224"	785224	NA	"COc1ccc2[nH]c(cc2c1)C(=O)NC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	"440801227"	NA
"785225"	785225	NA	"Cc1cc(C)c(cc1C)c2cn(C\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)nn2"	0	NA	NA	1	1	"440810604"	NA
"785285"	785285	NA	"COc1ccc2c(CCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	2	2	"440798503"	NA
"785286"	785286	NA	"COc1ccc2c(CCCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	1	1	"440812615"	NA
"785287"	785287	NA	"COc1ccc2c(CCCc3ccc(Cl)cc3Cl)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC"	0	NA	NA	1	1	"440815806"	NA
"785288"	785288	NA	"COc1ccc2c(CCCCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	1	1	"440812529"	NA
"785294"	785294	NA	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	"440804487"	NA
"785295"	785295	NA	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	"440812662"	NA
"785296"	785296	NA	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)N1"	0	NA	NA	1	1	"440799384"	NA
"785297"	785297	NA	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2occ(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	"440799505"	NA
"785299"	785299	"EPZ-015666"	"O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN3CCc4ccccc4C3"	0	"PRMT5"	"Clinical trial"	1	1	"-1"	"1616391651"
"785304"	785304	NA	"COc1ccc(cc1O)C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	2	2	"440796327"	NA
"785305"	785305	NA	"COc1ccc(C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c(O)c1"	0	NA	NA	1	1	"440804478"	NA
"785306"	785306	"TAS-115"	"CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OC"	0	"PK:MET,VEGFR"	"Clinical trial"	2	2	"-1"	"1190836340"
"785307"	785307	NA	"c1(c(cc2c(c1)nccc2Oc1c(cc(cc1)NC(=S)NC(=O)Cc1ccccc1)F)C(=O)NC)OC.Cl"	0	NA	NA	2	2	"441653732"	NA
"785323"	785323	NA	"C(=C(\CCCO)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(\c1ccc(cc1)O)c1ccc(cc1)OCCCN(C)C"	0	NA	NA	1	1	"441653695"	NA
"785345"	785345	"Bet-BAY-002"	"Cc1oc(C[C@@H]2C=C(c3ccc(Cl)cc3)c4ccccc4n5c(C)nnc25)nn1"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1588521781"
"785346"	785346	NA	"Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5c1cc(C#N)n5Cc6cn[nH]c6"	0	NA	NA	2	2	"440801357"	NA
"785352"	785352	NA	"CC(C)[C@@H]1CC[C@]2(CO2)[C@H]3[C@H]1C=C(COC3=O)C(=O)O"	0	NA	NA	2	2	"440812880"	"57710573"
"785364"	785364	NA	"Nc1c(sc2nc(ccc12)c3cccs3)C(=O)c4ccccc4"	0	NA	NA	1	1	"440802694"	NA
"785367"	785367	NA	"COc1ccc(cc1N)c2c[nH]nc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440812677"	NA
"785386"	785386	NA	"COc1ccc(cc1)c2nocc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440804206"	NA
"785389"	785389	NA	"CC1(C)[C@H](O)[C@H](F)C[C@@]2(C)Oc3ccc(cc3C[C@H]12)C(=O)Nc4ccc5c(NC(=O)C56CCN(CCCCC#N)CC6)c4"	0	NA	NA	2	2	"440807724"	NA
"785401"	785401	NA	"N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC3CCN(Cc4c[nH]c5ccc(Cl)cc45)CC3"	0	NA	NA	1	1	"440809531"	NA
"785453"	785453	NA	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c[nH]c3ccccc23"	0	NA	NA	2	2	"440802271"	NA
"785454"	785454	NA	"COc1cc(cc(OC)c1OCC#C)C(=O)\C(=C\c2cccc(c2)N=[N+]=[N-])\C"	0	NA	NA	1	1	"440802712"	NA
"785455"	785455	NA	"COc1cc(cc(OC)c1OC)C(=O)\C(=C\c2c[nH]c3ccccc23)\C"	0	NA	NA	2	2	"440798799"	NA
"785507"	785507	NA	"CNC(=O)c1cc(Oc2ccc3c(c2)sc4nc(cn34)c5ccc(N)cc5)ccn1"	0	NA	NA	2	2	"440815903"	NA
"785510"	785510	NA	"FC(F)(F)c1cc(NC(=O)Nc2scc(c3ccc(Cl)cc3)c2C#N)ccc1Cl"	0	NA	NA	1	1	"440805113"	NA
"785527"	785527	NA	"C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c2ccc3C(=NO)c4ccc(cc4C(=NO)c3c2)S(=O)(=O)N5C[C@H](C)C[C@H](C)C5"	0	NA	NA	1	1	"440802301"	NA
"785541"	785541	NA	"COc1ccc(\C=C\C(=O)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC"	0	NA	NA	1	1	"440815223"	NA
"785543"	785543	NA	"COc1ccc(\C=C\c2oc(\C=C\c3ccc(OC)c(OC)c3)nn2)cc1OC"	0	NA	NA	1	1	"440810289"	NA
"785570"	785570	"LOXO-101"	"O[C@H]1CCN(C1)C(=O)Nc2cnn3ccc(nc23)N4CCC[C@@H]4c5cc(F)ccc5F"	0	"PK:NTRK"	"FDA approved"	1	1	"-1"	"1223403584"
"785589"	785589	NA	"NC1CC1c2ccc(NC(=O)CCCc3ccc(cc3)C(=O)Nc4ccccc4N)cc2"	0	NA	NA	1	1	"440799426"	NA
"785590"	785590	NA	"NC1CC1c2ccc(NC(=O)CCCc3ccc(cc3)C(=O)Nc4cc(ccc4N)c5cccs5)cc2"	0	NA	NA	1	1	"440801933"	NA
"785594"	785594	NA	"OP1(=O)OP(=O)(O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	NA	NA	2	2	"440799175"	NA
"785615"	785615	NA	"Nc1nc(cc(c2ccc(Cl)cc2)c1C#N)c3cc(O)ccc3O"	0	NA	NA	2	2	"440809567"	NA
"785623"	785623	NA	"COc1cc2C(=O)N(C3CCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	"440798468"	NA
"785628"	785628	NA	"COc1cc2C(=O)N([C@@H]3CCOC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	"440804435"	NA
"785657"	785657	"RX-3117"	"NC1=NC(=O)N(C=C1)[C@H]2[C@H](O)[C@H](O)C(=C2F)CO"	0	"DNMT"	"Clinical trial"	1	1	"-1"	"865838262"
"785682"	785682	NA	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CCCCCCN5CCOCC5)c3c6[nH]c7ccccc7c26"	0	NA	NA	2	2	"440798637"	NA
"785685"	785685	NA	"CC(C)[n+]1ccc2c(C)c3c4ccccc4[nH]c3c(C)c2c1"	0	NA	NA	1	1	"440810654"	NA
"785690"	785690	NA	"CCn1c2ccc(O)cc2c3c(C)c4c[n+](C)ccc4c(C)c13"	0	NA	NA	1	1	"440804483"	NA
"785901"	785901	NA	"O=C(CNC(=O)c1cccc2ccccc12)Nc3ccccc3Oc4ccccc4"	0	NA	NA	1	1	"440807615"	NA
"785965"	785965	NA	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCCOC(F)F"	0	NA	NA	2	2	"440801544"	NA
"785966"	785966	NA	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCCOC(F)F"	0	NA	NA	2	2	"440799330"	NA
"785967"	785967	NA	"FC(F)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	NA	NA	2	2	"440795564"	NA
"786033"	786033	NA	"N1(CCN(CC1)C)CCCCN1C(=O)N(CC1=O)N=Cc1ccc(o1)c1ccc(cc1)Cl.Cl.Cl"	0	NA	NA	1	1	"441653747"	"149888948"
"786054"	786054	NA	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=C(Cl)C1=O"	0	NA	NA	1	1	"440805196"	NA
"786055"	786055	NA	"CC\C=C/C[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C2=O"	0	NA	NA	1	1	"440807080"	NA
"786057"	786057	NA	"CCC#CC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	1	1	"440795864"	NA
"786078"	786078	NA	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccsc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440804103"	NA
"786079"	786079	NA	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccc(N)cc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440813694"	NA
"786080"	786080	NA	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccccc4C(F)(F)F)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440815809"	NA
"786094"	786094	NA	"COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4ccccc34"	0	NA	NA	2	2	"440802127"	"1415262075"
"786095"	786095	NA	"COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5ccccc35"	0	NA	NA	2	2	"440812956"	NA
"786096"	786096	NA	"CCNc1nc(N2CC(=O)Nc3cc(OC)ccc23)c4ccccc4n1"	0	NA	NA	2	2	"440815592"	NA
"786098"	786098	"BAY-1143572"	"COc1cc(F)ccc1c2ncnc(Nc3cccc(CS(=N)(=O)C)c3)n2"	0	"PK:CDK,CDK9"	"Clinical trial"	1	1	"-1"	"1414943886"
"786099"	786099	"AZD-8835"	"CCn1nc(nc1c2cnc(N)c(n2)c3oc(nn3)C(C)(C)C)C4CCN(CC4)C(=O)CCO"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1620576648"
"786106"	786106	NA	"COc1ccc(\C(=N/O)\c2cc(OC)c(OC)c(OC)c2)c(OC)c1N"	0	NA	NA	1	1	"440807469"	NA
"786110"	786110	NA	"COc1ccc(cc1O)\C(=N\O)\c2cc(F)c(F)c(OC)c2F"	0	NA	NA	1	1	"440807347"	NA
"786111"	786111	NA	"COc1ccc(\C(=N\O)\c2cc(OC)c(OC)c(OC)c2)c(OC)c1N"	0	NA	NA	1	1	"440804673"	NA
"786113"	786113	NA	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5cc(C)ccn15"	0	NA	NA	1	1	"440815398"	NA
"786114"	786114	NA	"CC1Cc2c(ncnc2n3cnc4ccccc34)N(C)c5ccc(C)cc15"	0	NA	NA	1	1	"440812348"	NA
"786138"	786138	NA	"CC1Cc2c(ncnc2N(C)c3ccc(Cl)cc13)N(C)C"	0	NA	NA	1	1	"440806773"	NA
"786144"	786144	NA	"CC1Cc2c(ncnc2n3cnc4cc(C)ccc34)N(C)c5ccccc15"	0	NA	NA	1	1	"440804970"	NA
"786147"	786147	NA	"CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12O"	0	NA	NA	2	2	"440799076"	NA
"786148"	786148	NA	"CCN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Cl)n4[C@@H]3C[C@@]12O"	0	NA	NA	1	1	"440796498"	NA
"786959"	786959	"AZD-9496"	"C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c4c(F)cc(\C=C\C(=O)O)cc4F"	0	"SERD"	"Clinical trial"	2	2	"-1"	"1639042082"
"787025"	787025	"BAY-1161909"	"COc1cc(ccc1Nc2nc3ccc(cn3n2)c4ccc(NC(=O)[C@H](C)c5ccc(F)cc5)cc4)S(=O)(=O)C"	0	"IDUA"	"Clinical trial"	2	2	"-1"	"1443763607"
"787026"	787026	"BAY-1217389"	"COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F"	0	"IDUA"	"Clinical trial"	2	2	"-1"	"1554458535"
"787027"	787027	"EGF-816"	"CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n2c(NC(=O)c3ccnc(C)c3)nc4cccc(Cl)c24"	0	"PK:EGFR"	"Clinical trial"	2	2	"-1"	"1508250712"
"787039"	787039	"MI-503"	"Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5c1cc(C#N)n5Cc6cn[nH]c6"	0	"KMT2A"	"Clinical trial"	2	2	"-1"	NA
"787046"	787046	NA	"C[C@@H](CCO)[C-]12C3=C4C5=[C]1(CCN6C=C(C)C(=O)NC6=O)[Fe+2]2345789%10[C-]%11C7=C8C9=C%10%11"	0	NA	NA	1	1	"441612771"	NA
"787047"	787047	"AZD-3965"	"CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C@](C)(O)CO4"	0	"SLC16A1|SLC16A7"	"Clinical trial"	1	1	"-1"	"1448671315"
"787048"	787048	"azd5582"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](Cc4ccccc34)OCC#CC#CCO[C@@H]5Cc6ccccc6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@H](C)NC)C8CCCCC8"	0	"IAP"	"Clinical trial"	2	2	"-1"	"1258392538"
"787050"	787050	NA	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	2	2	"497400096"	NA
"787080"	787080	NA	"CC(=O)OCC1OC([SH-][Au+]C2N(Cc3ccccc3)C(=C(N2Cc4ccccc4)c5ccccc5)c6ccccc6)C(OC(=O)C)C(OC(=O)C)C1OC7OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C7OC(=O)C"	0	NA	NA	2	2	"440810556"	NA
"787092"	787092	NA	"Oc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4cccc5ccccc45)c3)c6ccccc6"	0	NA	NA	1	1	"440815283"	NA
"787104"	787104	NA	"CS(=O)(=O)N(c1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)S(=O)(=O)C"	0	NA	NA	1	1	"440799431"	NA
"787105"	787105	NA	"COc1ncc(cc1NS(=O)(=O)C)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	1	1	"440816117"	NA
"787108"	787108	NA	"COc1ncc(cc1NS(=O)(=O)CCN2CCOCC2)c3ccc4ncnc(Nc5cccc(Cl)c5)c4c3"	0	NA	NA	1	1	"440801762"	NA
"787137"	787137	"AMG-319"	"C[C@H](Nc1ncnc2[nH]cnc12)c3cc4ccc(F)cc4nc3c5ccccn5"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1608125218"
"787217"	787217	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](OC(=O)c6occc6)[C@@]7(C)COC(=C57)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	"440816446"	NA
"787221"	787221	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	"440798635"	NA
"787230"	787230	NA	"CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35"	0	NA	NA	1	1	"440812479"	NA
"787231"	787231	NA	"CC(C)Oc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35"	0	NA	NA	1	1	"440807100"	NA
"787232"	787232	NA	"CCOc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35"	0	NA	NA	1	1	"440801461"	NA
"787236"	787236	NA	"COc1cc2ncnc(Nc3ccc(Oc4ccnc(C)c4)c(C)c3)c2cc1NC(=O)CC5CCSS5"	0	NA	NA	2	2	"440812299"	NA
"787237"	787237	NA	"OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CSSC5"	0	NA	NA	2	2	"440799176"	NA
"787238"	787238	NA	"OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CSSC5"	0	NA	NA	2	2	"440810407"	NA
"787239"	787239	NA	"OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C5CCCC5"	0	NA	NA	1	1	"440807010"	NA
"787247"	787247	NA	"Fc1ccc(Nc2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)N6CCCC6)cc1"	0	NA	NA	1	1	"440796148"	NA
"787248"	787248	NA	"C1CN(CCO1)c2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)c6ccccc6"	0	NA	NA	1	1	"440807089"	NA
"787250"	787250	NA	"Fc1ccc(cc1)c2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)N6CCOCC6"	0	NA	NA	1	1	"440795869"	NA
"787252"	787252	"TAE-226"	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl"	0	"PK:IGF1R,FAK"	"Clinical trial"	2	2	"-1"	"761437289"
"787278"	787278	NA	"CCC1=Nc2cc(\C=C\C(=O)NO)c(F)cc2C(=O)N1CCc3ccccc3"	0	NA	NA	1	1	"440815657"	NA
"787282"	787282	NA	"COc1ccc(cc1)N2C(=O)N(Cc3ccc(cc3)C(=O)NO)c4ccccc4C2=O"	0	NA	NA	1	1	"440816039"	NA
"787302"	787302	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCOCC5"	0	NA	NA	1	1	"440813040"	NA
"787303"	787303	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCn5ccnc5"	0	NA	NA	1	1	"440795878"	NA
"787304"	787304	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCNC5=NCCS5"	0	NA	NA	1	1	"440815612"	NA
"787305"	787305	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCC(O)CC5"	0	NA	NA	1	1	"440815842"	NA
"787306"	787306	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCN(CCO)CC5)[N+](=O)[O-]"	0	NA	NA	1	1	"440813140"	NA
"787326"	787326	"GDC-0810"	"CC\C(=C(\c1ccc(\C=C\C(=O)O)cc1)/c2ccc3[nH]ncc3c2)\c4ccc(F)cc4Cl"	0	"SERD"	"Clinical trial"	2	2	"-1"	"1365888067"
"787450"	787450	NA	"CCN(CC)Cc1cc(Nc2cc(c(C#N)c3nc4ccccc4n23)C(F)(F)F)ccc1O"	0	NA	NA	1	1	"440815343"	NA
"787457"	787457	"brigatinib"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:YK,IGF1R,ALK,EGFR"	"FDA approved"	2	2	"-1"	"1197953540"
"787490"	787490	NA	"OCCNC(=S)Nc1ccc(cc1)c2nc(N3C[C@@H]4CC[C@H](C3)O4)c5cccn5n2"	0	NA	NA	2	2	"440801676"	NA
"787491"	787491	NA	"OCCNC(=O)Nc1ccc(cc1)c2nc(N3CCOCC3)c4cccn4n2"	0	NA	NA	2	2	"440802428"	NA
"787533"	787533	NA	"COc1cc(CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc(OC)c1"	0	NA	NA	1	1	"440804486"	NA
"787534"	787534	NA	"COc1cccc(CCNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c1"	0	NA	NA	1	1	"440813700"	NA
"787535"	787535	NA	"C[C@@]12CC\C=C(\COC(=O)NCCc3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440806894"	NA
"787536"	787536	NA	"COc1ccc(CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc1"	0	NA	NA	2	2	"440804077"	NA
"787537"	787537	NA	"COc1ccccc1CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	"440799034"	NA
"787539"	787539	NA	"COc1ccc(CCNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc1"	0	NA	NA	1	1	"440799926"	NA
"787553"	787553	NA	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5ccc(cc5)C#N)C(=O)c12"	0	NA	NA	2	2	"440798737"	NA
"787554"	787554	NA	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5cccnc5)C(=O)c12"	0	NA	NA	2	2	"440796558"	NA
"787555"	787555	NA	"NC(=O)c1cccc(c1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	3	3	"440809638"	NA
"787583"	787583	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	"440795662"	NA
"787771"	787771	NA	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ccccc34)\Oc2c1C[C@@H]5CCNC[C@H]5F"	0	NA	NA	1	1	"440802311"	NA
"787772"	787772	NA	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ncccc34)\Oc2c1C[C@@H]5CCNC[C@H]5F"	0	NA	NA	2	2	"440813030"	NA
"787774"	787774	NA	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ncccc34)\Oc2c1C[C@H]5CCNC[C@H]5F"	0	NA	NA	2	2	"440802168"	NA
"787780"	787780	"sabutoclax"	"C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)c3c(C)cc4c(C(=O)NC[C@H](C)c5ccccc5)c(O)c(O)cc4c3O)c6ccccc6"	0	"MCL1"	"Clinical trial"	2	2	"-1"	"1228108653"
"787794"	787794	NA	"COC(=O)\C=C\c1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	NA	NA	2	2	"440809637"	NA
"787798"	787798	NA	"COC(=O)\C=C\c1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	NA	NA	3	3	"440795993"	NA
"787807"	787807	NA	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)[C@@](C)(CO)[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	"440807123"	NA
"787809"	787809	NA	"CCCCCCOC(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	1	1	"440815437"	NA
"787813"	787813	NA	"CCN(CC)C(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	1	1	"440804231"	NA
"787814"	787814	NA	"COC1=CC(=N/C/1=C\c2[nH]c(C)c(C)c2CCC(=O)OCc3ccccc3)c4ccc[nH]4"	0	NA	NA	1	1	"440815771"	NA
"787817"	787817	NA	"COC(=O)CCc1c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)[nH]c(C)c1C(=O)OCc4ccccc4"	0	NA	NA	3	2	"440799224"	NA
"787832"	787832	NA	"Cc1nc2cc(ccc2n1Cc3ccccc3)N4C(=O)c5ccccc5N=C4c6ccc(F)cc6"	0	NA	NA	1	1	"440816033"	NA
"787834"	787834	NA	"Sc1cccc2cc(cnc12)C(=O)NCCc3nccs3"	0	NA	NA	1	1	"440815589"	NA
"787835"	787835	NA	"CCOc1ccc(cc1)n2cc(c3ccc(cc3)N(C)C)[n+]4CCCCCc24"	0	NA	NA	2	2	"440815727"	NA
"787846"	787846	"gilteritinib"	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	"PK:AXL,FLT3"	"FDA approved"	2	2	"-1"	"1254053434"
"787850"	787850	NA	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCCCBr)[O-]C(=O)CCCCCBr"	0	NA	NA	2	2	"440799494"	NA
"787851"	787851	NA	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCNC(=O)CCCCC[P+](c5ccccc5)(c6ccccc6)c7ccccc7)[O-]C(=O)CCCCCn8nnc9c%10ccccc%10N(Cc%11ccccc%11c89)C(=O)CCNC(=O)CCCCC[P+](c%12ccccc%12)(c%13ccccc%13)c%14ccccc%14"	0	NA	NA	1	1	"440816483"	NA
"787852"	787852	NA	"CN(C)c1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc4N(C)CCCc4c3"	0	NA	NA	1	1	"440811002"	NA
"787853"	787853	NA	"CN(C)c1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc4OCCc4c3"	0	NA	NA	2	2	"440804772"	NA
"787854"	787854	NA	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	NA	NA	2	2	"440815849"	NA
"787867"	787867	NA	"C[C@@]12CC\C=C(\COC(=O)OCCCCCOC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440810136"	NA
"787877"	787877	NA	"NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@@H]%10C[C@@H](O[C@@H]%10COP(=O)(O)O[C@@H]%11C[C@@H](O[C@@H]%11COP(=O)(O)O[C@@H]%12C[C@@H](O[C@@H]%12COP(=O)(O)OCCOCCOCCOCCOCCOCCO)N%13C=C(F)C(=O)NC%13=O)N%14C=C(F)C(=O)NC%14=O)N%15C=C(F)C(=O)NC%15=O)N%16C=C(F)C(=O)NC%16=O)N%17C=C(F)C(=O)NC%17=O)N%18C=C(F)C(=O)NC%18=O)N%19C=C(F)C(=O)NC%19=O)N%20C=C(F)C(=O)NC%20=O)N%21C=C(F)C(=O)NC%21=O)N%22C=C(F)C(=O)NC%22=O)[C@H](O)C2O"	0	NA	NA	2	2	"440812893"	NA
"787880"	787880	"OTS-964"	"C[C@@H](CN(C)C)c1ccc(cc1)c2c(O)cc(C)c3NC(=O)c4sccc4c23"	0	"PK:PBK"	"Clinical trial"	4	4	"-1"	"1338545075"
"787955"	787955	NA	NA	0	NA	NA	1	1	"440809997"	NA
"787956"	787956	NA	"CCOC(=O)Nc1ccc2Oc3ccccc3N(CC)C(=O)c2c1"	0	NA	NA	2	2	"440815126"	NA
"787957"	787957	NA	"COCCOC(=O)NC(=O)Nc1ccc(cc1)\C(=N\O)\c2ccc(Cl)cc2"	0	NA	NA	3	2	"440813334"	NA
"787960"	787960	"UMI-77"	"OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c3ccccc3c1O"	0	"MCL1"	"Clinical trial"	2	1	"-1"	"518303203"
"787962"	787962	"KU-55933"	"O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5"	0	"PK:ATM"	"Clinical trial"	2	1	"-1"	"587871269"
"787975"	787975	NA	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4occc4)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	"440807838"	"1448338188"
"787977"	787977	NA	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4ccccc4O)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	"440796987"	"1448338257"
"787978"	787978	NA	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4cccs4)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	"440810665"	"1448338202"
"787979"	787979	NA	"CC(C)c1n[nH]c2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN(C)C)nc12"	0	NA	NA	2	2	"440807752"	NA
"787980"	787980	NA	"CC(C)c1n[nH]c2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN)nc12"	0	NA	NA	2	2	"440816091"	NA
"787982"	787982	NA	"Cc1ccc(cc1)n2c(S)nnc2c3cc4c5ccccc5[nH]c4c(n3)c6cccc(O)c6"	0	NA	NA	1	1	"440798767"	NA
"788054"	788054	NA	"COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O)OCCN(C)C"	0	NA	NA	1	1	"440807403"	NA
"788065"	788065	NA	"COc1ccc(CN2c3ccccc3Sc4ccccc24)cc1O"	0	NA	NA	1	1	"440799585"	NA
"788066"	788066	NA	"COc1ccc(CN2c3ccccc3Sc4ccccc24)c(c1)C(F)(F)F"	0	NA	NA	1	1	"440806943"	NA
"788069"	788069	NA	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)n5ccccc15"	0	NA	NA	2	2	"440812596"	NA
"788104"	788104	NA	"CS(=O)(=O)c1ccc(cc1NC(=O)Nc2cnc(Oc3ccc(cc3)c4cc(Cl)cnc4N)nc2)C(F)(F)F"	0	NA	NA	2	2	"440811090"	NA
"788105"	788105	NA	"CCOc1ccc(cc1NC(=O)c2cccc(c2)c3nnn(CC)n3)C(=O)C"	0	NA	NA	1	1	"440812314"	NA
"788110"	788110	NA	"CCC#CC[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	"440796254"	NA
"788121"	788121	"AZD-3759"	"COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N4CCN(C)C[C@H]4C"	0	"PK:EGFR"	"Clinical trial"	2	2	"-1"	"1626387801"
"788186"	788186	"Bafetinib"	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cncnc5)c3)C1"	0	"BCR-ABL|PK:YK,FYN,LYN"	"Clinical trial"	2	2	"-1"	"859212161"
"788200"	788200	NA	"FCCOc1ccc(Nc2nc(cs2)C3=Cc4cccc(c4OC3=O)C(F)(F)F)cc1"	0	NA	NA	2	2	"440795851"	NA
"788201"	788201	NA	"COc1ccccc1Nc2nc(cs2)C3=Cc4cccc(c4OC3=O)C(F)(F)F"	0	NA	NA	2	2	"440796674"	NA
"788203"	788203	"sitravatinib"	"COCCNCc1ccc(nc1)c2cc3nccc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)cc4F)c3s2"	0	"PK:PDGFR,AXL,NTRK,KDR,RET"	"Clinical trial"	2	2	"-1"	"1123837842"
"788205"	788205	NA	"CC1OC(O[C@@H]2[C@H](O)C(CO)OC(O[C@H]3COC(O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)[C@H](O)C[C@@]68C)C4(C)C)[C@@H](OC%10OC(CO)[C@@H](O)[C@@H](O)[C@@H]%10O)[C@@H]3O)[C@H]2OC%11OC[C@@H](O)[C@@H](O)[C@@H]%11O)[C@@H](O)[C@@H](O)[C@H]1O"	0	NA	NA	1	1	"497400049"	NA
"788207"	788207	NA	"COc1cc2c(O[C@@H]3OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3O)c4COC(=O)c4c(c5ccc6OCOc6c5)c2cc1OC"	0	NA	NA	2	2	"497400070"	NA
"788210"	788210	NA	"C\C=C(\C)/C(=O)O[C@H]1C[C@@](C)(OC(=O)C)C(=O)\C=C/[C@H](C)C[C@H]2OC(=O)C(=C)[C@H]12"	0	NA	NA	1	1	"497400072"	NA
"788211"	788211	"Goyazensolide"	"CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(=C/[C@H]3OC(=O)C(=C)[C@H]13)\CO"	0	NA	NA	2	2	"497400102"	NA
"788212"	788212	NA	"CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(=C/[C@H]3OC(=O)C(=C)[C@H]13)\C"	0	NA	NA	2	2	"497400067"	NA
"788213"	788213	NA	"C\C=C(\C)/C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(=C/[C@H]3OC(=O)C(=C)[C@H]13)\C"	0	NA	NA	1	1	"497399910"	NA
"788216"	788216	"Quercetin 3,4'-dimethyl ether"	"COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(OC)c(O)c3"	0	NA	NA	1	1	"497400015"	NA
"788320"	788320	NA	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@@H](O[C@@H]5C[C@@H](NC(=O)CCCN(C)C6(CC7CCC6C7)c8ccc(F)cc8)[C@H](O)[C@@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	"440815232"	NA
"788321"	788321	NA	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@@H](O[C@@H]5C[C@@H](NC(=O)CCCCCN(C)C6(CC7CCC6C7)c8ccc(F)cc8)[C@H](O)[C@@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	"440812769"	NA
"788324"	788324	NA	"CN(C)C(=N)\N=C(/N)\NSC1CCC(CC1)OC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c3ccccc3)C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]7[C@@]8(CO[C@@H]8C[C@H](O)[C@@]7(C)C(=O)[C@H](OC(=O)C)C(=C4C)C5(C)C)OC(=O)C"	0	NA	NA	2	2	"440796286"	NA
"788351"	788351	NA	"COc1ccc2OC(=O)C=C(C3c4ccc([nH]4)C(C5=CC(=O)Oc6ccc(OC)cc56)c7ccc([nH]7)C(C8=CC(=O)Oc9ccc(OC)cc89)c%10ccc([nH]%10)C(C%11=CC(=O)Oc%12ccc(OC)cc%11%12)c%13ccc3[nH]%13)c2c1"	0	NA	NA	1	1	"440807379"	NA
"788353"	788353	NA	"COc1ccc2OC(=O)C=C(C(c3ccc[nH]3)c4ccc[nH]4)c2c1"	0	NA	NA	3	2	"440804170"	NA
"788356"	788356	NA	"Cc1ccc2OC(=O)C=C(C3c4ccc([nH]4)C(C5=CC(=O)Oc6ccc(C)cc56)c7ccc([nH]7)C(C8=CC(=O)Oc9ccc(C)cc89)c%10ccc([nH]%10)C(C%11=CC(=O)Oc%12ccc(C)cc%11%12)c%13ccc3[nH]%13)c2c1"	0	NA	NA	2	1	"440798995"	NA
"788365"	788365	"PF-06747775"	"COc1nn(C)cc1Nc2nc(nc3c2ncn3C)N4C[C@@H](F)[C@@H](C4)NC(=O)C=C"	0	"PK:EGFR"	"Clinical trial"	2	2	"-1"	"1776112903"
"788432"	788432	NA	"O=C(Nc1cn(cn1)c2ccc(cc2)C#N)[C@H]3CCN(C3)C#N"	0	NA	NA	2	2	"440805102"	NA
"788433"	788433	NA	"O=C(Nc1ncc(s1)c2ccncc2)[C@H]3CCN(C3)C#N"	0	NA	NA	2	2	"440812918"	NA
"788434"	788434	NA	"NC(=O)c1ccc2cnc(NC(=O)[C@H]3CCN(C3)C#N)cc2c1"	0	NA	NA	2	2	"440804718"	NA
"788435"	788435	NA	"O=C([C@@H]1CCCN1C#N)N2CCc3c2cccc3c4n[nH]c5ncccc45"	0	NA	NA	2	1	"440811060"	NA
"788436"	788436	NA	"C[C@@H]1CN(C[C@H](C)N1)c2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C#N)cc2"	0	NA	NA	2	2	"440798510"	NA
"788437"	788437	NA	"O=C(N\N=C/1\C=COc2cccnc12)N3CCN(CC3)c4ncccn4"	0	NA	NA	2	2	"440810152"	NA
"788512"	788512	NA	"CN(C)CCOc1nc2c3cccnc3cc(c4cccc(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	"440801720"	NA
"788586"	788586	NA	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)C(=O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	"440810266"	NA
"788604"	788604	NA	"CC(C)[C@@]12C[C@@H](OC(=O)C3CO3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	1	1	"440802104"	NA
"788605"	788605	NA	"CC(C)[C@@]12C[C@@H](OC(=O)[C@H]3CO3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	"440812773"	NA
"788638"	788638	NA	"CCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440815298"	NA
"788646"	788646	NA	"Oc1c(I)cc(I)cc1CN(Cc2ccccn2)Cc3ccccn3"	0	NA	NA	3	1	"440802386"	NA
"788649"	788649	NA	"Oc1ccc(cc1CN(Cc2ccccn2)Cc3ccccn3)c4nc5ccccc5s4"	0	NA	NA	1	1	"440807356"	NA
"788650"	788650	NA	"COc1ccccc1[n+]2cc(c3ccc(cc3)c4ccccc4)n5CCCCCc25"	0	NA	NA	1	1	"440802372"	NA
"788689"	788689	NA	"Cl[Cu](c1c(C(=[O]\[Cu](Cl)Cl)/OC2C3(CC(OC4=[O][Cu](OC4[N]4(C(c5c6[Cu](Cl)(c6ccc5)Cl)O[Cu]4(Cl)Cl)Cc4c5c([Cu]5(Cl)Cl)ccc4)(Cl)Cl)C(=C(C3(C)C)C(OC(C)O[Cu](Cl)Cl)/C(=[O]\[Cu](Cl)Cl)[C@@]3(C2C2(OC(O[Cu](Cl)Cl)C)COC2CC3)C)C)O[Cu](Cl)Cl)cccc1)Cl"	0	NA	NA	2	2	"441653770"	NA
"788710"	788710	NA	"CC1Cc2c(ncnc2n3cnc4cc(C)ccc34)N(C)c5ccc(C)cc15"	0	NA	NA	2	2	"440809718"	NA
"788712"	788712	NA	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4cnc5cc(C)ccc45"	0	NA	NA	1	1	"440795745"	NA
"788725"	788725	NA	"CC1(C)[C@@H](OC(=O)N)C=C[C@]2(CO)[C@H]3CC[C@]4(C)[C@H]([C@@H](Cl)C[C@]4(O)C3=CC[C@@H]12)C5=COC(=O)C=C5"	0	NA	NA	2	1	"440809772"	NA
"788781"	788781	NA	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCc1ccc(cc1)N(CCCl)CCCl)[O-]C(=O)CCCc2ccc(cc2)N(CCCl)CCCl"	0	NA	NA	1	1	"440798431"	NA
"788794"	788794	"A-911"	"COc1ccc(F)cc1c2ccnc3[nH]c(cc23)C4=CCN(CC4)[C@@H]5CC[C@@H](CC(=O)O)CC5"	0	"PK:CDK,CDK9"	"Clinical trial"	1	1	"-1"	"1628301847"
"788805"	788805	NA	"COc1ccc(cc1O)C(c2cc(OC)c(OC)c(OC)c2)n3cncn3"	0	NA	NA	1	1	"440807493"	NA
"788806"	788806	NA	"COc1ccc(cc1O)C(c2cc(OC)c(OC)c(OC)c2)n3ccnc3"	0	NA	NA	1	1	"440807185"	NA
"788807"	788807	NA	"COc1ccc(\C=C\C(c2cc(OC)c(OC)c(OC)c2)n3cncn3)cc1O"	0	NA	NA	1	1	"440807650"	NA
"788811"	788811	NA	"COc1ccc(\C=C(\C(=O)N2CCNCC2)/c3cc(OC)c(OC)c(OC)c3)cc1O"	0	NA	NA	1	1	"440799135"	NA
"788815"	788815	NA	"COc1cc(cc(OC)c1OC)C2C(=C(C)NC(=C2C(=O)OCc3ccccc3)C)C(=O)OCc4ccccc4"	0	NA	NA	1	1	"440815329"	NA
"788816"	788816	NA	"COc1cc(cc(OC)c1OC)N2C([C@@H](O)C2=O)c3ccc(SC)cc3"	0	NA	NA	1	1	"440806806"	NA
"788817"	788817	NA	"COc1cc(cc(OC)c1OC)N2C([C@H](C2=O)c3ccccc3)c4ccc(SC)cc4"	0	NA	NA	1	1	"440813088"	NA
"788818"	788818	NA	"COc1cc(cc(OC)c1OC)N2C([C@@H](Cl)C2=O)c3ccc(SC)cc3"	0	NA	NA	1	1	"440805156"	NA
"788819"	788819	NA	"COc1ccc(cc1F)C2[C@H](C(=O)N2c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	NA	NA	1	1	"440808192"	NA
"788820"	788820	NA	"COc1ccc(cc1Cl)C2[C@@H](Cl)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440801902"	NA
"788821"	788821	NA	"[O-][N+](=O)OCc1ccc(OC(=O)c2ccccc2)cc1"	0	NA	NA	1	1	"440798630"	NA
"788822"	788822	NA	"ClCc1ccc(OC(=O)c2ccccc2)cc1"	0	NA	NA	1	1	"440813147"	NA
"788870"	788870	NA	"COc1ccc(Cn2c3ccccc3[n+]4c5ccc(N)cc5ccc24)c(OC)c1OC"	0	NA	NA	1	1	"440801519"	NA
"788899"	788899	NA	"CCn1c(S)nnc1c2cc3c4ccccc4[nH]c3c(n2)c5cccc(O)c5"	0	NA	NA	1	1	"440815199"	NA
"788900"	788900	"napabucasin"	"CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1"	0	"CTNNB1|STAT3"	"Clinical trial"	2	2	"-1"	"83280653"
"788907"	788907	NA	"C(CCCCCn1cc[n+](Cc2ccc3ccccc3c2)c1)CCCCn4cc[n+](Cc5ccc6ccccc6c5)c4"	0	NA	NA	1	1	"440796441"	NA
"788908"	788908	NA	"Clc1c(Cl)n(Cc2ccc3ccccc3c2)c[n+]1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440799098"	"1404549014"
"788909"	788909	NA	"C(c1ccc2ccccc2c1)[n+]3cn(Cc4ccc5ccccc5c4)c6ccccc36"	0	NA	NA	1	1	"440815952"	"1665295726"
"788910"	788910	NA	"Cc1c[n+](Cc2ccc3ccccc3c2)cn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440795849"	NA
"788911"	788911	NA	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5c4)c3"	0	NA	NA	1	1	"440810691"	"1215070191"
"788912"	788912	NA	"CCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	1	1	"440804798"	NA
"788913"	788913	NA	"C(c1ccc2ccccc2c1)[n+]3cn(Cc4ccc5ccccc5c4)c(c6ccccc6)c3c7ccccc7"	0	NA	NA	1	1	"440804309"	NA
"788914"	788914	NA	"COc1ccc2cc(Cn3cc[n+](Cc4ccc5ccccc5c4)c3)ccc2c1"	0	NA	NA	1	1	"440815148"	NA
"788915"	788915	NA	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5n4)c3"	0	NA	NA	1	1	"440812991"	NA
"788966"	788966	NA	"CO\N=C(\C)/c1ccc(NC(=O)CSc2nnc(c3ccncc3)n2c4ccccc4)cc1"	0	NA	NA	1	1	"440799036"	NA
"788999"	788999	NA	"COc1ccc(cc1)c2cc(C(=O)N3N=C(CC3c4ccc(Cl)cc4)c5ccc(N)cc5)c6ccccc6n2"	0	NA	NA	1	1	"440809547"	NA
"789000"	789000	NA	"Cc1ccc(cc1)c2cc(C(=O)N3N=C(CC3c4ccc(Cl)cc4)c5ccc(N)cc5)c6ccccc6n2"	0	NA	NA	1	1	"440798598"	NA
"789001"	789001	NA	"COc1cc(ccc1Cl)c2nc(NC(=O)C)sc2c3ccnc(NCCNS(=O)(=O)c4ccccc4)n3"	0	NA	NA	1	1	"440804821"	NA
"789012"	789012	NA	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCOCC5)c4"	0	NA	NA	1	1	"440807782"	NA
"789013"	789013	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCN(C)CC5)c4"	0	NA	NA	1	1	"440813191"	NA
"789041"	789041	"GSK-295"	"CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(cc2)c3cn4cccc([C@H](C)O)c4n3"	0	"CENP"	"Clinical trial"	1	1	"-1"	"1088965370"
"789042"	789042	"LOR-253"	"Cc1[nH]c2ccc(F)cc2c1c3nc4c5cccnc5c6ncccc6c4[nH]3"	0	"KLF4|MYC|MTF1"	"Clinical trial"	2	2	"-1"	"916151990"
"789043"	789043	"ARV-825"	"Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(OCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc3)c7nnc(C)n27)c8ccc(Cl)cc8)c1C"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1818885287"
"789044"	789044	"CCT-271850"	"COc1cc(ccc1Nc2ncc3ccnc(N[C@@H](C)C(C)(C)C)c3n2)c4cnn(C)c4"	0	"IDUA"	"Clinical trial"	2	2	"-1"	"1578244344"
"789099"	789099	"LY-3154567"	"CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc3cccnc3"	0	"NAMPT"	"Clinical trial"	2	2	"-1"	"1698878146"
"789115"	789115	NA	"CCCCN1C(=O)NC(=C([C@@H]2C3=C(NC(=O)N(CCCC)C3=O)Oc4ccc5ccccc5c24)C1=O)N"	0	NA	NA	1	1	"440815310"	NA
"789120"	789120	NA	"COc1cc(C(=O)Nc2cc3NC(=O)[C@H](CC(=O)N(C)O)N(C)C(=O)c3cc2Oc4cc(C)cc(C)c4)c(Br)c(OC)c1OC"	0	NA	NA	1	1	"440799447"	NA
"789149"	789149	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440815730"	NA
"789150"	789150	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440799313"	NA
"789178"	789178	NA	"NC(=O)OCCn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5ccccc15"	0	NA	NA	1	1	"440799044"	NA
"789194"	789194	NA	"COc1ccc2c(c1)c(cn2CCCCN3CCOCC3)c4nc(cs4)c5cn(C)c6ncccc56"	0	NA	NA	2	1	"440807637"	NA
"789195"	789195	NA	"COc1ccc2c(c1)c(cn2CCCCN3CCOCC3)c4nc(cs4)c5c[nH]c6ncccc56"	0	NA	NA	1	1	"440808265"	NA
"789210"	789210	NA	"COc1cc2cc(NCc3cccc(Cl)c3)nc(C)c2cc1OC"	0	NA	NA	1	1	"440812293"	NA
"789224"	789224	NA	"O=C1NC=Cc2nc(c3ccc(CN4CCC(CC4)c5n[nH]c(n5)c6ccccn6)cc3)c(cc12)c7ccccc7"	0	NA	NA	2	2	"440801570"	"893422474"
"789237"	789237	NA	"CCCCCSC1C2C(=O)C(=CC13CCNC4=C3C5=[N+]2CCc6c[nH]c(C4=O)c56)Br"	0	NA	NA	1	1	"440807360"	NA
"789274"	789274	NA	"O=C1CCCC2=C1C(C3=C(O2)C(=O)c4ccccc4C3=O)c5ccc(cc5)C#N"	0	NA	NA	1	1	"440802036"	NA
"789276"	789276	NA	"NC(=O)c1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	"440799364"	NA
"789277"	789277	NA	"NS(=O)(=O)c1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	"440813204"	NA
"789278"	789278	NA	"Clc1ccc2OC3=C(N(Cc2c1)c4ccc(cc4)C#N)C(=O)N(Cc5ccccc5)C3=O"	0	NA	NA	1	1	"440801663"	NA
"789279"	789279	NA	"Fc1ccc(CN2C(=O)C3=C(N(Cc4cc(Cl)ccc4O3)c5ccc(cc5)C#N)C2=O)cc1"	0	NA	NA	2	2	"440805185"	NA
"789291"	789291	NA	"C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(cc4)C5NCCc6c5[nH]c7ccccc67"	0	NA	NA	1	1	"440796671"	NA
"789518"	789518	NA	"Oc1cccc2C(=O)c3cc(NC(=O)CCl)cc(O)c3C(=O)c12"	0	NA	NA	2	2	"440807063"	NA
"789520"	789520	NA	"ClCC(=O)Nc1cc(OCCN=[N+]=[N-])c2C(=O)c3c(OCCN=[N+]=[N-])cccc3C(=O)c2c1"	0	NA	NA	1	1	"440805194"	NA
"789521"	789521	NA	"ClCC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1"	0	NA	NA	2	1	"440795977"	NA
"789549"	789549	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCNCC5"	0	NA	NA	1	1	"440812325"	NA
"789550"	789550	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCCC5"	0	NA	NA	1	1	"440810020"	NA
"789551"	789551	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCN(C)CC5"	0	NA	NA	1	1	"440813382"	NA
"789552"	789552	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCNC(C)C"	0	NA	NA	1	1	"440801284"	NA
"789553"	789553	NA	"CNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	"440804136"	NA
"789554"	789554	NA	"CCNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	"440813119"	NA
"789645"	789645	NA	"CC1(C)CCC(CC1)S(=O)(=O)c2ccc3c(c2)\C(=N/O)\c4cc(ccc34)S(=O)(=O)N5CCN(CC5)c6ccc(F)cc6O"	0	NA	NA	1	1	"440802291"	NA
"789646"	789646	NA	"CC1(C)CCC(CC1)S(=O)(=O)c2ccc3c4ccc(cc4\C(=N\O)\c3c2)S(=O)(=O)N5CCC(O)(CC5)c6cccc(c6)C(F)(F)F"	0	NA	NA	2	2	"440796119"	NA
"789684"	789684	NA	"FC(F)(F)C(=O)Nc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440804659"	NA
"789694"	789694	NA	"Oc1ccc(cc1C2=NCC(O2)c3ccc(cc3)c4ccccc4)C#N"	0	NA	NA	1	1	"440798356"	NA
"789696"	789696	NA	"Oc1ccc(cc1C2=NCC(O2)c3cccc(Oc4ccccc4)c3)C#N"	0	NA	NA	1	1	"440807699"	NA
"789703"	789703	NA	"Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc3ccc(F)cc3)s1"	0	NA	NA	1	1	"440807710"	NA
"789722"	789722	"Litronesib"	"CCNCCS(=O)(=O)NC[C@]1(SC(=NN1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c2ccccc2"	0	"TUBB|CDH16|KIF11"	"Clinical trial"	2	2	"-1"	"910634412"
"789741"	789741	NA	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5c(C)cc(C)cn15"	0	NA	NA	2	2	"440801455"	NA
"789742"	789742	NA	"COc1ccn2c(cc(C(=O)c3ccc4Nc5ccccc5Sc4c3)c2c1)C(=O)C"	0	NA	NA	2	2	"440810267"	NA
"789744"	789744	NA	"COc1ccc(CN2c3ccccc3CCc4ccccc24)cc1F"	0	NA	NA	1	1	"440796576"	NA
"789766"	789766	NA	"C(CCCCCCn1cc[n+](Cc2ccc3ccccc3c2)c1)CCCCCn4cc[n+](Cc5ccc6ccccc6c5)c4"	0	NA	NA	1	1	"440812309"	NA
"789793"	789793	NA	"COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3ccc4cc[nH]c4c3"	0	NA	NA	2	2	"440801981"	NA
"789794"	789794	NA	"COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3cccc4[nH]ccc34"	0	NA	NA	2	2	"440812582"	NA
"789796"	789796	NA	"COc1cccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)c1"	0	NA	NA	1	1	"440802341"	NA
"789797"	789797	"SW-044248"	"CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc4ccccc4OC"	0	"TOP1"	"Clinical trial"	2	2	"-1"	"522650835"
"789800"	789800	NA	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	"440812917"	NA
"789801"	789801	NA	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	"440807884"	NA
"789803"	789803	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)C3(CC3)NC(=O)[C@H]4CCCCN4C)OC(=O)C"	0	NA	NA	2	2	"440813318"	NA
"789804"	789804	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)C3(CCC3)NC(=O)[C@H]4CCCCN4C)OC(=O)C"	0	NA	NA	2	2	"440815615"	NA
"789805"	789805	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)c4ccc(F)cc4)OC(=O)C"	0	NA	NA	3	2	"440815766"	NA
"789806"	789806	NA	"COC(=O)[C@H](Cc1ccccc1)NNC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	3	2	"440808227"	NA
"789833"	789833	NA	"Cc1cc[n]2c3c1ccc1c(C)cc[n](c31)[Ru+2]13452([Cl-])([C-]2C1=C3C4=C52)P(c1ccccc1)(c1ccccc1)c1ccccc1"	0	NA	NA	2	2	"441653673"	NA
"789834"	789834	NA	"[Cl-][Ru+2]12345([C-]6C1=C2C3=C46)(P(c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccc2ccc3ccc[n]5c3c12"	0	NA	NA	1	1	"441653670"	NA
"789852"	789852	NA	"CCOC(=O)c1[nH]c(cc1c2cccnc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440801724"	NA
"789871"	789871	NA	"CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	"440810588"	NA
"789880"	789880	NA	"CN(C)CCS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	"440804969"	NA
"789881"	789881	NA	"Fc1ccc(Nc2ncnc3ccc(cc23)c4cnc(Cl)c(NS(=O)(=O)CCN5CCOCC5)c4)cc1Cl"	0	NA	NA	1	1	"440798504"	NA
"789925"	789925	"ABL-001"	"O[C@@H]1CCN(C1)c2ncc(cc2c3ccn[nH]3)C(=O)Nc4ccc(OC(F)(F)Cl)cc4"	0	"BCR-ABL"	"FDA approved"	1	1	"-1"	"1492952767"
"789941"	789941	NA	"COc1ccc(cc1)c2nnc(SCC(=O)Nc3ccc(cc3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)n2CC=C"	0	NA	NA	2	2	"440800025"	NA
"789944"	789944	NA	"CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]2C[C@@H](O)[C@H](O)C(C)O2)[C@@H](C)[C@H](O)[C@H](C)[C@H]3OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]3C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]4(O)C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](CC)[C@@H](C)O4"	0	NA	NA	1	1	"440815637"	NA
"789947"	789947	NA	"CC(=O)c1cc2c3cccc(O)c3C(=O)C(=O)c2c(O)c1C"	0	NA	NA	2	1	"440799417"	NA
"789948"	789948	NA	"CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4\C=C\C(=O)C5=C(O)[C@H](CCCNC(=O)\C=C/C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O"	0	NA	NA	2	1	"440806877"	NA
"789949"	789949	NA	"CO[C@@H]1CC(=O)NC2=CC(=O)C=C(CC\C=C(\C)/[C@H](O)[C@@H](C)[C@H](C\C=C\C=C\C=C\1)OC(=O)[C@@H](C)NC(=O)C3CCCCC3)C2=O"	0	NA	NA	1	1	"440798617"	NA
"789968"	789968	"LY-3023414"	"CO[C@@H](C)CN1C(=O)N(C)c2cnc3ccc(cc3c12)c4cncc(c4)C(C)(C)O"	0	"PK:PIK3,MTOR"	"Clinical trial"	1	1	"-1"	"1386874061"
"789969"	789969	"SB-202190"	"Oc1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4"	0	"PK:MAPK14"	"Clinical trial"	1	1	"-1"	"152121307"
"790009"	790009	NA	"CCn1c(SC)nnc1c2cc3c4ccccc4[nH]c3c(n2)c5cccc(O)c5"	0	NA	NA	1	1	"440799593"	NA
"790031"	790031	NA	"Nc1c(sc(Nc2ccccc2)c1c3nc4ccccc4s3)C(=O)c5ccc(Cl)cc5"	0	NA	NA	2	2	"440816011"	NA
"790090"	790090	NA	"COc1ccc(cc1)C2=CC(N3NC=NC3=N2)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440807584"	NA
"790091"	790091	NA	"Cc1c2ccncc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	1	1	"440795577"	NA
"790093"	790093	NA	"CCCCCCCCCCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c4cc(O)ccc4n3CC"	0	NA	NA	1	1	"440798465"	NA
"790102"	790102	NA	"COC(=O)c1ccc2c(c1)c3c(C)c4ccncc4c(C)c3n2C"	0	NA	NA	1	1	"440815840"	NA
"790110"	790110	NA	"Nc1cccc2c(N\N=C\c3ccc(N)c4ncccc34)ccnc12"	0	NA	NA	1	1	"440812539"	NA
"790130"	790130	NA	"CC[C@H](C)[C@H](NC(=O)c1ncccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440809867"	NA
"790131"	790131	NA	"CC[C@H](C)[C@H](NC(=O)c1cnccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	1	"440810182"	NA
"790132"	790132	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2cccc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	3	2	"440798485"	NA
"790133"	790133	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2cccc(n2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440796384"	NA
"790134"	790134	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2cccc(n2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440798693"	NA
"790135"	790135	NA	"CC[C@H](C)[C@H](NC(=O)c1cccn1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440815095"	NA
"790136"	790136	NA	"CC[C@H](C)[C@H](NC(=O)c1nccn1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440812323"	NA
"790137"	790137	NA	"COC(=O)C12C3C4C1C5C2C3C45NC(=O)c6csc(n6)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]7CCCCN7C)C8CC8)OC(=O)C"	0	NA	NA	2	2	"440799991"	NA
"790138"	790138	NA	"COC(=O)C12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C5CC5)OC(=O)C"	0	NA	NA	2	2	"440804844"	NA
"790139"	790139	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440798595"	NA
"790144"	790144	NA	"CC\C(=C(/c1ccc(Cl)cc1)\c2ccc(OCCN3CCCCC3)cc2)\c4ccc(O)cc4"	0	NA	NA	1	1	"440801388"	NA
"790148"	790148	NA	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCCC3)cc2)\c4ccc(OC)cc4"	0	NA	NA	1	1	"440810344"	NA
"790429"	790429	NA	"COc1ccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)cc1"	0	NA	NA	1	1	"440801528"	NA
"790430"	790430	NA	"Oc1ccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)cc1"	0	NA	NA	1	1	"440802135"	NA
"790431"	790431	NA	"Oc1cccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)c1"	0	NA	NA	1	1	"440807750"	NA
"790434"	790434	NA	"Clc1ccc(cc1)C2=NN(C=O)C(C2)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	"440807645"	NA
"790435"	790435	NA	"COc1ccc(cc1)C2=NN(C=O)C(C2)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	"440804623"	NA
"790458"	790458	NA	"Cc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440798546"	NA
"790459"	790459	NA	"CCCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440812597"	NA
"790460"	790460	NA	"CCCCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440811034"	NA
"790461"	790461	NA	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5c4)c3c6ccccc6"	0	NA	NA	1	1	"440812477"	NA
"790462"	790462	NA	"OCCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440806802"	NA
"790463"	790463	NA	"Cc1cc2c(cc1C)n(Cc3ccc4ccccc4c3)c[n+]2Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440813028"	NA
"790464"	790464	NA	"Cc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440810635"	NA
"790465"	790465	NA	"C(c1ccc2ccccc2n1)[n+]3cn(Cc4ccc5ccccc5n4)c6ccccc36"	0	NA	NA	1	1	"440798406"	NA
"790466"	790466	NA	"Cc1cc2c(cc1C)n(Cc3ccc4ccccc4n3)c[n+]2Cc5ccc6ccccc6n5"	0	NA	NA	1	1	"440805142"	NA
"790485"	790485	NA	"C[C@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)NC3CC(C)(C)NC(C)(C)C3)c4ccc(c(F)c4)c5ccccc5"	0	NA	NA	1	1	"440813085"	"1333205858"
"790508"	790508	NA	"C[C@@H]1[C@H]2[C@@H](O[C@]13CCC(C)(C)O3)C=C4[C@@H]5CC[C@H]6Cc7nc8C[C@@]9(C)[C@@H](CC[C@@H]%10[C@@H]9C[C@@H](O)[C@@]%11(C)C%10=C[C@@H]%12O[C@@]%13(CC[C@](C)(CO)O%13)[C@@H](C)[C@@]%11%12O)Cc8nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]24C"	0	NA	NA	2	2	"440802756"	NA
"790509"	790509	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCOCC5"	0	NA	NA	1	1	"440813027"	NA
"790510"	790510	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCn5ccnc5"	0	NA	NA	1	1	"440805149"	NA
"790511"	790511	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCNCC5"	0	NA	NA	1	1	"440810641"	NA
"790512"	790512	NA	"CNCCCN1C(=O)c2cc(F)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	"440807076"	NA
"790513"	790513	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCNC5=NCCS5"	0	NA	NA	1	1	"440809720"	NA
"790514"	790514	NA	"CCNCCCN1C(=O)c2cc(F)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	"440801392"	NA
"790515"	790515	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCCC5"	0	NA	NA	1	1	"440812447"	NA
"790516"	790516	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCC(O)CC5"	0	NA	NA	1	1	"440802147"	NA
"790517"	790517	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCNC(C)C"	0	NA	NA	1	1	"440798622"	NA
"790562"	790562	NA	"Cc1ccc(\C=C(\C#N)/n2nnc3ncccc23)cc1"	0	NA	NA	1	1	"440807092"	NA
"790632"	790632	NA	"CN1CCC(CNc2cc(ncn2)C3(CC3)C(=O)Nc4cc(ccc4F)C(=O)Nc5ccc(Cl)c(c5)C(F)(F)F)CC1"	0	NA	NA	1	1	"440808242"	NA
"790633"	790633	NA	"COC(=O)C1CCc2sc3ncnc(Nc4c[nH]nc4C(=O)Nc5ccc(CN6CCN(C)CC6)cc5)c3c12"	0	NA	NA	1	1	"440804016"	NA
"790634"	790634	NA	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5sc6CCCCc6c45)cc2)CC1"	0	NA	NA	1	1	"440815468"	NA
"790649"	790649	NA	"CC12O[C@H](C[C@@H](OC(=O)CCC(=O)O)[C@H]1O)n3c4ccccc4c5c6C(=O)NC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	1	1	"440812952"	NA
"790650"	790650	NA	"COC1[C@H](C[C@H]2OC1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)C=C"	0	NA	NA	2	2	"440796353"	NA
"790651"	790651	NA	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCCC5)ccnc2c1"	0	NA	NA	2	1	"440812254"	NA
"790652"	790652	NA	"CN1CCN(CC1)c2nc(NCCNc3ccnc4cc(Cl)ccc34)c5ccccc5n2"	0	NA	NA	1	1	"440796703"	NA
"790653"	790653	NA	"COc1cc(cc(OC)c1OC)c2cc(nc(n2)N3CCOCC3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	"440812513"	NA
"790654"	790654	NA	"CCN1CCN(CC1)c2cc(C)nc(n2)N(CCCNc3ccnc4cc(Cl)ccc34)Cc5ccc6OCOc6c5"	0	NA	NA	1	1	"440815097"	NA
"790659"	790659	NA	"CCN1CCN(CC1)c2nc(C)cc(n2)N(CCNc3ccnc4cc(Cl)ccc34)Cc5ccc6OCOc6c5"	0	NA	NA	1	1	"440812516"	NA
"790660"	790660	NA	"Clc1ccc2c(NCCCNCc3ccc4OCOc4c3)ccnc2c1"	0	NA	NA	1	1	"440804106"	NA
"790661"	790661	NA	"Cc1cc(nc(n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4ccc5OCOc5c4)N6CCCC6"	0	NA	NA	1	1	"440795924"	NA
"790663"	790663	NA	"Cc1cc(nc(Cl)n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4cccs4"	0	NA	NA	1	1	"440809941"	NA
"790668"	790668	NA	"Cc1cc(nc(n1)N(CCNc2ccnc3cc(Cl)ccc23)Cc4cccs4)N5CCOCC5"	0	NA	NA	1	1	"440807765"	NA
"790669"	790669	NA	"CC(=CCc1cc2OC(C=C(C)C)C3=C(C(=O)C4=C(NCCS4(=O)=O)C3=O)c2cc1O)C"	0	NA	NA	2	2	"440805198"	NA
"790671"	790671	NA	"CC(=CCc1cc(O)cc2C3=C(C(Oc12)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C"	0	NA	NA	1	1	"440804920"	NA
"790707"	790707	NA	"CC1=CC(=O)C(=CC2=C1C[C@H]3C[C@H](O)[C@@]4(C)OC5=C(C[C@H]4CC(C)(C)\C=C\C[C@]3(C)O2)C(=CC(=O)C(=C5)O)C)O"	0	NA	NA	2	2	"497399984"	NA
"790709"	790709	NA	"COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@@H](O)[C@@H](O)C[C@H]3O[C@@H]3c2c1"	0	NA	NA	2	2	"497399946"	NA
"790710"	790710	NA	"CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C)C(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)CC2CCCCC2"	0	NA	NA	2	2	"497399892"	NA
"790711"	790711	NA	"CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)CC2CCCCC2"	0	NA	NA	1	1	"497399945"	NA
"790713"	790713	NA	"CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)C)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)Cc3ccccc3"	0	NA	NA	1	1	"497399987"	NA
"790714"	790714	NA	"CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)C)C(C)C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)Cc3ccccc3"	0	NA	NA	1	1	"497399916"	NA
"790855"	790855	NA	"C[C@H]1C\C=C\[C@H]2[C@H](O)C(=C)[C@@H](C)C3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](OC(=O)C)\C=C\[C@@](C)(O)C1=O"	0	NA	NA	2	2	"497399886"	NA
"790865"	790865	"EPZ-020411"	"CNCCN(C)Cc1c[nH]nc1c2ccc(O[C@@H]3C[C@H](C3)OCCC4CCOCC4)cc2"	0	"PRMT6"	"Clinical trial"	2	1	"-1"	"1700663417"
"790901"	790901	NA	"Cc1cc2c(c(O)c(O)cc2c(O)c1c3c(C)cc4c(c(O)c(O)cc4c3O)c5nc6ccccn6c5N)c7nc8ccccn8c7N"	0	NA	NA	1	1	"440816115"	NA
"790909"	790909	NA	"COC(=O)C1=C(C(=O)OC)C23C=C(C)C1C2=C(C)C4(CC4)[C@@](C)(O)C3=O"	0	NA	NA	2	2	"440796395"	NA
"790910"	790910	NA	"CC1=C(CCCNS(=O)(=O)C)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	"440810357"	NA
"790911"	790911	NA	"[Pt+2]1(Cl)(NCCCN1)N=C(N(CCNc1c2c(cccc2)nc2c1cccc2)C)C"	0	NA	NA	2	2	NA	NA
"790912"	790912	NA	"[Cl-][Pt+2](N)(N)\N=C(/CC)\N(C)CCNc1c2ccccc2nc3c1ccc4ccccc34"	0	NA	NA	1	1	"441612823"	NA
"790949"	790949	NA	"Cc1ccc(NC2=Nn3c(SC2)nnc3c4csc5CCCCc45)cc1"	0	NA	NA	1	1	"440811091"	NA
"790965"	790965	NA	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(OC(=O)c2ccccc2)C1=O"	0	NA	NA	1	1	"440815383"	NA
"790966"	790966	NA	"CCCC1=Cc2cc(cc(NC3CCC(O)CC3)c2C(=O)N1)n4nc(C)c5C(=O)CC(C)(C)Cc45"	0	NA	NA	2	2	"440805094"	NA
"790970"	790970	NA	"CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23"	0	NA	NA	2	2	"440815843"	NA
"790974"	790974	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccc(F)cc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440810011"	NA
"790975"	790975	NA	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440804796"	NA
"790976"	790976	NA	"COC(=O)[C@@H](C)C[C@H](Cc1cn(C)c2ccccc12)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440809995"	NA
"790978"	790978	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(CC[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)n2"	0	NA	NA	2	2	"440798793"	NA
"790980"	790980	NA	"COC(=O)C12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440809860"	NA
"790981"	790981	NA	"COC(=O)CC12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440805520"	NA
"790982"	790982	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccc(F)cc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	"440801869"	NA
"790983"	790983	NA	"COC(=O)[C@@H]1CC[C@H](CC1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440795599"	NA
"790988"	790988	NA	"CCN1\C(=C\C=C\c2[n+](CC)c3cc(ccc3n2c4ccccc4)c5nc6ccccc6s5)\N(c7ccccc7)c8ccc(cc18)c9nc%10ccccc%10s9"	0	NA	NA	2	2	"440807541"	NA
"790989"	790989	NA	"C[n+]1c(\C=C\2/SC(=C(N2CC=C)c3ccccc3)c4ccccc4)sc5ccccc15"	0	NA	NA	1	1	"440795703"	NA
"790990"	790990	NA	"COc1ccc2S\C(=C\C=C\C3=[N+](C)c4ccccc4C3(C)C)\N(CC=C)c2c1"	0	NA	NA	2	2	"440798849"	NA
"791000"	791000	NA	"CCCCC[C@H]1CCCCCCC(=O)CCC(=O)OCC2O[C@@H](O[C@@H]3C(O)[C@@H](OC(=O)C)C(C)O[C@H]3O1)C(O)[C@@H](OC(=O)\C(=C\C)\C)[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	2	2	"440806807"	NA
"791001"	791001	NA	"CCCCC[C@@H](CC=C)O[C@@H]1OC(C)[C@H](OC(=O)C)C(O)[C@H]1O[C@@H]2OC(COC(=O)CCC(=O)CCCC=C)[C@@H](OC(=O)\C=C\c3ccccc3)[C@H](OC(=O)\C(=C\C)\C)C2O"	0	NA	NA	2	2	"440815877"	NA
"791021"	791021	NA	"CSC1=C(N)C(=O)c2[nH]cc(CO)c2C1=N"	0	NA	NA	1	1	"440804636"	NA
"791022"	791022	NA	"OCc1c[nH]c2C(=O)C3=C(SCCN3)C(=N)c12"	0	NA	NA	1	1	"440805145"	NA
"791023"	791023	NA	"OCc1c[nH]c2C(=O)C3=C(C(=N)c12)S(=O)CCN3"	0	NA	NA	1	1	"440801699"	NA
"791024"	791024	NA	"O=C1C=C(Oc2c(csc12)c3ccc4OCCOc4c3)N5CCOCC5"	0	NA	NA	2	1	"440801991"	NA
"791047"	791047	NA	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccccc3)/c4cc(OC)c(OC)c(OC)c4)cc1O"	0	NA	NA	1	1	"440809690"	NA
"791048"	791048	NA	"COc1ccc(cc1F)[C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440798656"	NA
"791049"	791049	NA	"COc1ccc(cc1C)[C@@H]2[C@@H](Cl)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440809838"	NA
"791050"	791050	NA	"CCSc1ccc(cc1)[C@@H]2[C@@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"440813424"	NA
"791052"	791052	NA	"CCOc1ccc(cc1)[C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	"440807169"	NA
"791053"	791053	NA	"CCSc1ccc(cc1)[C@@H]2[C@@H](N)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440815082"	NA
"791055"	791055	NA	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccccc3)/c4cc(OC)c(OC)c(OC)c4)cc1N"	0	NA	NA	1	1	"440801522"	NA
"791059"	791059	"MGCD-265"	"COCCNCc1ccc(nc1)c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2"	0	"PK:MET,VEGFR"	"Clinical trial"	2	2	"-1"	NA
"791068"	791068	NA	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(C)c(OC)c(C)c2"	0	NA	NA	2	2	"440806968"	NA
"791077"	791077	NA	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5c(C)cccn15"	0	NA	NA	2	2	"440812517"	NA
"791093"	791093	NA	"Cc1ccc(NC(=O)c2nc(oc2c3ccc(F)cc3)S(=O)C)cc1Nc4nccc(n4)c5cccnc5"	0	NA	NA	1	1	"440799235"	NA
"791095"	791095	NA	"CN1C=Nc2ccc(Nc3cc(NC(=O)c4nc(oc4c5ccc(F)cc5)S(=O)(=O)C)ccc3C)cc2C1=O"	0	NA	NA	1	1	"440799508"	NA
"791097"	791097	NA	"CN(C)CCSc1nc(C(=O)Nc2ccc(C)c(c2)C#Cc3cnc4cccnn34)c([nH]1)c5ccc(F)cc5"	0	NA	NA	1	1	"440812533"	NA
"791100"	791100	NA	"CCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	2	2	"440802078"	NA
"791101"	791101	NA	"CCCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	2	2	"440801913"	NA
"791102"	791102	NA	"Cc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	2	2	"440805477"	NA
"791103"	791103	NA	"CCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"440815178"	NA
"791106"	791106	NA	"COCCOCCOCc1[n+](Cc2ccc3ccccc3n2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440801937"	NA
"791107"	791107	NA	"CCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440801543"	NA
"791114"	791114	NA	"CCOC(=O)c1c(C)nc2N(CCc3ccccc3)C(=O)Cc2c1N"	0	NA	NA	1	1	"440807451"	NA
"791128"	791128	NA	"COc1ccc2C=C3CCCC4=Cc5ccc(OC)cc5OC34Oc2c1"	0	NA	NA	1	1	"440809562"	NA
"791131"	791131	NA	"CC(C)C[C@@H](N)C(=O)OCCCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(=C12)C"	0	NA	NA	2	2	"440796144"	NA
"791134"	791134	NA	"CC1=C(CCCOC(=O)NCCCl)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	1	1	"440807756"	NA
"791135"	791135	NA	"CC(C)(C#N)c1cc(F)cc(c1)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	1	1	"440815983"	NA
"791136"	791136	NA	"Fc1ccc(Nc2ncccc2c3ncnc4[nH]cnc34)cc1NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"440804474"	NA
"791140"	791140	NA	"C[C@@]12CC\C=C(/CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]1O2)\C=N\c4c(N)cc(cc4Br)C(F)(F)F"	0	NA	NA	1	1	"440801739"	NA
"791142"	791142	NA	"C[C@@]12CC\C=C(/CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]1O2)\C=N\c4ncc(Br)cc4N"	0	NA	NA	1	1	"440807593"	NA
"791143"	791143	NA	"C[C@@]12CC\C=C(\COC(=O)c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440815179"	NA
"791144"	791144	NA	"Cn1cc(C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c5ccccc15"	0	NA	NA	1	1	"440798666"	NA
"791145"	791145	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C\c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440796190"	NA
"791146"	791146	NA	"C[C@@]12CC\C=C(\COC(=O)c3cccnc3N)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440813277"	NA
"791147"	791147	NA	"C[C@@]12CC\C=C(\COC(=O)c3oc4ccccc4c3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440799139"	NA
"791151"	791151	NA	"CC(=O)c1ccc(NC(=O)CSc2oc(nn2)c3cc(nc4ccccc34)c5ccc(C)cc5)cc1"	0	NA	NA	1	1	"440795741"	NA
"791152"	791152	NA	"COc1ccc(cc1)c2cc(c3oc(SCC(=O)Nc4ccc(cc4)C(=O)C)nn3)c5ccccc5n2"	0	NA	NA	1	1	"440809757"	NA
"791156"	791156	NA	"COc1ccc(\C=C\C(=O)c2ccc(NC(=O)CSc3nnc(c4ccc(OC)c(OC)c4)n3c5ccccc5)cc2)cc1"	0	NA	NA	1	1	"440799416"	NA
"791163"	791163	"RG-7602"	"CCN1CCC(CC1)Oc2c(ncc3[nH]c4ncccc4c23)C#N"	0	"PK:CHEK1"	"Clinical trial"	1	1	"-1"	"1200129481"
"791164"	791164	"acalabrutinib"	"CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25"	0	"PK:BTK"	"FDA approved"	2	2	"-1"	"1420477606"
"791172"	791172	NA	"Oc1ccc(Cl)cc1C(=O)Nc2nc3ccc(cc3s2)C(F)(F)F"	0	NA	NA	1	1	"440801364"	NA
"791202"	791202	NA	"COc1ccc(cc1)N(C)c2nc(Cl)nc3ccn(C)c23"	0	NA	NA	1	1	"440813133"	NA
"791210"	791210	NA	"COc1cc(NC(=O)c2cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	NA	NA	2	2	"440801730"	NA
"791211"	791211	NA	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)C(=O)Nc4cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c4"	0	NA	NA	3	3	"440801949"	NA
"791226"	791226	"SAR-245409"	"CCN1C(=O)C(=Cc2c(C)nc(N)nc12)c3ccn[nH]3"	0	"PK:PIK3"	"Clinical trial"	1	1	"-1"	"934493762"
"791227"	791227	"XL-147"	"COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c4cccc(NC(=O)C(C)(C)N)c4)c1"	0	"PK:PIK3"	"Clinical trial"	1	1	"-1"	NA
"791228"	791228	NA	"CC1(C)\C(=C\C=C\2/CCCC(=C2Cl)\C=C\C3=[N+](CCCCCC(=O)SCCCN(CCCOc4ccc(Cl)cc4Cl)CC#C)c5ccccc5C3(C)C)\N(CCCCCC(=O)O)c6ccccc16"	0	NA	NA	1	1	"440795815"	"1647112137"
"791252"	791252	NA	"Nc1ncnc2c1ccn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	1	1	"440804649"	NA
"791253"	791253	NA	"Nc1ncnc2c1c(F)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	1	1	"440801748"	NA
"791254"	791254	NA	"Nc1ncnc2c1c(Cl)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	"440799442"	NA
"791255"	791255	NA	"Nc1ncnc2c1c(Br)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	"440816025"	NA
"791256"	791256	NA	"Nc1ncnc2c1c(I)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	"440807888"	NA
"791267"	791267	NA	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NC(=O)C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	"440816461"	NA
"791268"	791268	NA	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NC(=O)CCCCCC#C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	1	1	"440801417"	NA
"791275"	791275	NA	"Clc1ccc2NC(=O)c3c(oc4C(=O)c5ccccc5C(=O)c34)c2c1"	0	NA	NA	1	1	"440809731"	NA
"791328"	791328	"ARQ-092"	"Nc1ncccc1c2nc3ccc(nc3n2c4ccc(cc4)C5(N)CCC5)c6ccccc6"	0	"PK:AKT"	"Clinical trial"	2	2	"-1"	"1313881707"
"791345"	791345	NA	"Oc1ccc(Cl)cc1C(=O)Nc2cnc(cn2)C(F)(F)F"	0	NA	NA	1	1	"440795944"	NA
"791346"	791346	NA	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5ccc(nc5)N6CCOCC6)C(=O)c12"	0	NA	NA	2	2	"440798366"	NA
"791347"	791347	NA	"CN(CCO)c1ccc(cn1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	2	2	"440801331"	NA
"791348"	791348	NA	"CN(C)c1ccc(cn1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	2	2	"440796132"	NA
"791349"	791349	NA	"CN1CCN(CC1)c2ccc(cn2)N3Cc4ccccc4OC5=C3C(=O)c6c(O)ccc(O)c6C5=O"	0	NA	NA	2	2	"440813312"	NA
"791452"	791452	NA	"CCCCN1CCCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@@H]3CC[C@H](CC3)C(=O)OC)C(C)C"	0	NA	NA	1	1	"440797043"	NA
"791456"	791456	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440810417"	NA
"791458"	791458	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccc2ccccc2c1)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	1	1	"440811099"	NA
"791459"	791459	NA	"COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440807842"	NA
"791460"	791460	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C(F)(F)F)C(F)(F)F)OC(=O)C"	0	NA	NA	1	1	"440810621"	NA
"791461"	791461	NA	"C(=C(\CCCN1C(=O)CCC1=O)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(\c1ccc(cc1)O)c1ccc(cc1)O"	0	NA	NA	1	1	"441653658"	NA
"791465"	791465	NA	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCCc4cc3c2N"	0	NA	NA	1	1	"440807481"	NA
"791468"	791468	NA	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	"440815617"	NA
"791469"	791469	NA	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCCCc4cc3c2N"	0	NA	NA	1	1	"440802015"	NA
"791470"	791470	NA	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	"440812709"	NA
"791484"	791484	NA	"COCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440804663"	NA
"791485"	791485	NA	"CCCCCCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440801977"	NA
"791486"	791486	NA	"COC(=O)CCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440808189"	NA
"791488"	791488	NA	"COC(=O)c1ccc2c(c1)n(Cc3ccc4ccccc4c3)c[n+]2Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440809765"	NA
"791489"	791489	NA	"COCCOCCOCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	"440807787"	NA
"791492"	791492	NA	"COCCOCCOCc1[n+](Cc2ccc3ccccc3n2)c4ccccc4n1Cc5ccc6ccccc6n5"	0	NA	NA	1	1	"440813149"	NA
"791495"	791495	"GDC-0339"	"Cn1ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4CC[C@@H](N)[C@H](F)CC4"	0	"PK:PIM1,PIM2,PIM3"	"Clinical trial"	2	2	"-1"	"1428569850"
"791496"	791496	"APR-246"	"COCC1(CO)N2CCC(CC2)C1=O"	0	"Apo"	"Clinical trial"	2	1	"-1"	"5291327"
"791511"	791511	NA	"Cc1cccc(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c1C"	0	NA	NA	1	1	"440810169"	NA
"791513"	791513	NA	"Cc1c(Br)cccc1NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N"	0	NA	NA	1	1	"440798805"	NA
"791526"	791526	NA	"CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	1	1	"440816496"	NA
"791529"	791529	NA	"CN1CCC(=CC1)c2cc(NC(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)cc(c2)C(F)(F)F"	0	NA	NA	1	1	"440812949"	NA
"791538"	791538	NA	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(OCCCC5CCCCN5)nc4)c1F"	0	NA	NA	1	1	"440796481"	NA
"791540"	791540	NA	"Fc1ccc(cc1)S(=O)(=O)C(C(=O)Nc2ccc(cc2)S(=O)(=O)NC3CCCCCC3)c4ccccc4"	0	NA	NA	1	1	"440809592"	NA
"791547"	791547	NA	"CCOC(=O)\C=C\1/S\C(=N/c2ccc(cc2)C#N)\N(CCN3\C(=N\c4ccc(cc4)C#N)\S\C(=C/C(=O)OCC)\C3=O)C1=O"	0	NA	NA	2	2	"440801277"	NA
"791561"	791561	NA	"COc1ccc(cc1O)\C(=N/O)\c2cc(C)c(OC)c(C)c2"	0	NA	NA	1	1	"440796330"	NA
"791577"	791577	NA	"Nc1ccccc1NC(=O)c2ccc(CN3CCC\C(=C/c4cccc(Cl)c4)\C3=O)cc2"	0	NA	NA	1	1	"440796322"	NA
"791579"	791579	NA	"Cc1cc(Nc2nc(SCc3ccc(cc3)C(=O)Nc4ccc(F)cc4N)nn5cccc25)n[nH]1"	0	NA	NA	1	1	"440807887"	NA
"791580"	791580	NA	"Nc1ccccc1NC(=O)c2ccc(CSc3nc(N4CCOCC4)c5cccn5n3)cc2"	0	NA	NA	1	1	"440801757"	NA
"791616"	791616	NA	"COc1cc(\C=C\C(=O)c2ccc(NC(=O)CSc3nnc(c4ccc(Cl)cc4)n3CC=C)cc2)cc(OC)c1OC"	0	NA	NA	1	1	"440802119"	NA
"791638"	791638	NA	"CN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)c5ccn[nH]5"	0	NA	NA	1	1	"440810244"	NA
"791639"	791639	NA	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)c5ccn[nH]5"	0	NA	NA	1	1	"440804363"	NA
"791648"	791648	"PF-2771"	"CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(cc2)c3cn(C)c(n3)C(=O)C"	0	"CENP"	"Clinical trial"	2	2	"-1"	NA
"791682"	791682	NA	"Cc1ccc(CS\C(=C/c2ccc(cc2)[N+](=O)[O-])\C(=O)c3ccc(F)cc3)cc1"	0	NA	NA	1	1	"440807140"	NA
"791686"	791686	NA	"[O-][N+](=O)c1ccc(\C=C(/SCc2ccc(F)cc2)\C(=O)c3ccc(Cl)cc3)cc1"	0	NA	NA	1	1	"440804332"	NA
"791687"	791687	NA	"[O-][N+](=O)c1ccc(\C=C(/SCc2ccc(Cl)cc2)\C(=O)c3ccc(F)cc3)cc1"	0	NA	NA	2	2	"440804129"	NA
"791692"	791692	NA	"Cc1cnc([nH]1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5c(F)cc(F)cc5F)cc4F"	0	NA	NA	1	1	"440812994"	"1616428239"
"791765"	791765	NA	"Nc1c(F)cc(cc1Br)c2nc3cc(F)ccc3[se]2"	0	NA	NA	2	2	"440812425"	NA
"791771"	791771	NA	"C[C@@]12CC\C=C(\COC(=O)CCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440796594"	NA
"791772"	791772	NA	"C[C@@]12CC\C=C(\COC(=O)CCCCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440809659"	NA
"791773"	791773	NA	"C[C@@]12CC\C=C(\COC(=O)CCCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440799326"	NA
"791774"	791774	NA	"C[C@@]12CC\C=C(\COC(=O)CCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440815338"	NA
"791776"	791776	NA	"C[C@@]12CC\C=C(\COC(=O)CCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440810518"	NA
"791785"	791785	"Sapacitabine"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N"	0	"Ds"	"Clinical trial"	2	2	"-1"	"151823142"
"791789"	791789	NA	"CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@@H](C[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4)OC(=O)[C@H](C)N(C)C(=O)CCS"	0	NA	NA	2	2	"440796232"	NA
"791792"	791792	NA	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C"	0	NA	NA	2	2	"440809572"	NA
"791840"	791840	NA	"COc1ccc2nc(cc(c3oc(SCC(=O)Nc4ccc(cc4)\C(=N/O)\C)nn3)c2c1)c5ccc(Cl)cc5"	0	NA	NA	1	1	"440798755"	NA
"791856"	791856	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"440807741"	NA
"791858"	791858	NA	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"440815583"	NA
"791860"	791860	NA	"C[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OCCOCCOCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=C)C)C1(C)C"	0	NA	NA	2	2	"440807187"	NA
"791871"	791871	NA	"COC(=O)\C=C\c1cc(OC)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	"440805180"	"165817312"
"791945"	791945	NA	"COc1cc(cc(OC)c1OC)[C@H](C)c2ccc3ccccc3c2"	0	NA	NA	1	1	"440808278"	NA
"791946"	791946	NA	"COc1ccc(cc1)C(C)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	1	1	"440804027"	NA
"791947"	791947	NA	"COc1cc(cc(OC)c1OC)C(C)c2ccc3c(ccn3C)c2"	0	NA	NA	1	1	"440812612"	NA
"791966"	791966	"CFI-400945"	"COc1ccc2NC(=O)[C@@]3(C[C@H]3c4ccc5c(\C=C\c6ccc(CN7C[C@@H](C)O[C@@H](C)C7)cc6)n[nH]c5c4)c2c1"	0	"PK:PLK1"	"Clinical trial"	2	2	"-1"	"1338806737"
"791967"	791967	"TAK-659 (isomer 1)"	"Cn1cc(cn1)c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c4CNC(=O)c24"	0	"PK:SYK"	"Clinical trial"	2	2	"-1"	"1312691410"
"791968"	791968	"TAK-659 (isomer 1)"	"Cn1cc(cn1)c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c4CNC(=O)c24"	0	"PK:SYK"	"Clinical trial"	2	2	"-1"	"1312691330"
"792733"	792733	NA	"Cn1cc(cn1)c2ccc3c(c2)ncn3c4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4"	0	NA	NA	2	2	"440798997"	NA
"792769"	792769	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3nc(C)ccc13"	0	NA	NA	1	1	"440799264"	NA
"792770"	792770	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)cc(OC)c2)n3nc(C)ccc13"	0	NA	NA	1	1	"440809664"	NA
"792784"	792784	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ccc(cc13)c4cc[n+](CC(=O)c5cc(OC)c(OC)c(OC)c5)cc4"	0	NA	NA	1	1	"440811003"	NA
"792786"	792786	NA	"CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n3c1ccc4ccc5cccnc5c34"	0	NA	NA	1	1	"440815625"	NA
"792789"	792789	NA	"Cc1nc2ccccc2nc1N=Nc3ccccc3"	0	NA	NA	1	1	"440798815"	NA
"792790"	792790	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCNS(=O)(=O)c5ccc(F)cc5)cc4"	0	NA	NA	1	1	"440797062"	NA
"792792"	792792	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCCNC(=O)c5ccccc5)cc4"	0	NA	NA	1	1	"440815400"	NA
"792793"	792793	NA	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCNC(=O)c5ccc(F)cc5)cc4"	0	NA	NA	1	1	"440804169"	NA
"792796"	792796	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)NCCNS(=O)(=O)c5ccc(Cl)cc5)c4"	0	NA	NA	1	1	"440796139"	NA
"792797"	792797	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)NCCNC(=O)c5ccccc5)c4"	0	NA	NA	1	1	"440799173"	NA
"792798"	792798	NA	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCN(Cc6ccccc6)CC5)c4"	0	NA	NA	1	1	"440799291"	NA
"792810"	792810	NA	"COc1cccc(Oc2nc(Nc3ccc(cc3)N4CCOCC4)ncc2NC(=O)Nc5cc(OC)cc(OC)c5)c1"	0	NA	NA	1	1	"440801536"	NA
"792813"	792813	NA	"Fc1ccc(cc1)c2c(\C=C\C=C\C(=O)c3cccs3)c(nc4ccccc24)C5CC5"	0	NA	NA	1	1	"440806991"	NA
"792847"	792847	"INCB-047775"	"Cn1ncc(C#N)c1c2ccc3C(=O)N(Cc3c2)[C@H](CN)Cc4cccc(F)c4"	0	"PK:AKT"	"Clinical trial"	2	2	"-1"	"1430056544"
"792848"	792848	"olmutinib"	"CN1CCN(CC1)c2ccc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c5sccc5n3)cc2"	0	"PK:EGFR,BTK,JAK3"	"FDA approved"	1	1	"-1"	"1353550136"
"792850"	792850	NA	"COc1ccc(cc1OC)C(=O)\C=C\c2ccc(OCc3ccc(Cl)cc3)cc2"	0	NA	NA	1	1	"440796334"	NA
"792852"	792852	NA	"COc1ccc(cc1OC)C(=O)\C=C\c2ccc(OCc3cccc(c3)C(F)(F)F)c(OC)c2"	0	NA	NA	1	1	"440804860"	NA
"792853"	792853	NA	"CCN(Cc1ccccc1)c2ccc(\C=C\3/COc4ccccc4C3=O)cc2"	0	NA	NA	1	1	"440813137"	NA
"792854"	792854	NA	"CC(=O)\C=C\c1ccc(OCc2ccc(cc2)C(C)(C)C)cc1"	0	NA	NA	1	1	"440816042"	NA
"792898"	792898	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCNC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)n6ccnc6"	0	NA	NA	1	1	"440815051"	NA
"792955"	792955	"GSK-2194069"	"O=C(C1CC1)N2CC[C@@H](CC3=NNC(=O)N3c4ccc(cc4)c5ccc6occc6c5)C2"	0	"FAS|FASN"	"Clinical trial"	2	2	"-1"	"1332331211"
"792956"	792956	"AZD-0156"	"CN(C)CCCOc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(C5CCOCC5)c4c3c2"	0	"PK:ATM"	"Clinical trial"	2	2	"-1"	"1821428356"
"792957"	792957	NA	"COc1ccc(cc1I)C2C(C(=O)N2c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	NA	NA	1	1	"440807220"	NA
"792959"	792959	NA	"COc1ccc(cc1F)[C@H]2[C@@H](F)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440802356"	NA
"792961"	792961	NA	"CCSc1ccc(cc1)C2C(Br)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440801537"	NA
"792970"	792970	"KPT-9274"	"Nc1ccc(\C=C\C(=O)NCc2oc3c(cc(cc3c2)c4ccc(cc4)C(=O)N5CCC(F)(F)CC5)c6ccc(F)cc6)cn1"	0	"PK:PAK4"	"Clinical trial"	2	2	"-1"	"1643913932"
"792971"	792971	"CC-223"	"CO[C@@H]1CC[C@H](CC1)N2C(=O)CNc3ncc(nc23)c4ccc(nc4)C(C)(C)O"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1228013306"
"792974"	792974	NA	"C[C@@]12CC\C=C(\COC(=O)CCCc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440801275"	NA
"792975"	792975	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C\c3cccnc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440802080"	NA
"792987"	792987	"GDC-0084"	"CC1(C)OCCn2c1nc3c(nc(nc23)c4cnc(N)nc4)N5CCOCC5"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	"-1"	"1382979443"
"792996"	792996	"ARQ-087"	"COCCNCCc1cccc(Nc2ncc3CC(c4ccccc4F)c5ccccc5c3n2)c1"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1234356694"
"793099"	793099	NA	"COc1ccc2NC(=O)C(=Cc2c1)\C=C\C(=O)c3ccccc3OC"	0	NA	NA	1	1	"440804037"	NA
"793103"	793103	"ABBV-075"	"CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4[nH]ccc34"	0	"BRD"	"Clinical trial"	2	2	"-1"	"1445993269"
"793122"	793122	NA	"COc1ccc(OC)c(NCC(=O)n2nc(\C=C/c3ccc(O)c(OC)c3)cc2\C=C/c4ccc(O)c(OC)c4)c1"	0	NA	NA	1	1	"440809809"	NA
"793129"	793129	NA	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(C)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	1	1	"440812706"	NA
"793130"	793130	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C(C)C)OC(=O)C"	0	NA	NA	1	1	"440804457"	NA
"793131"	793131	NA	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(C)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C(C)C"	0	NA	NA	1	1	"440801564"	NA
"793132"	793132	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	1	1	"440795973"	NA
"793136"	793136	NA	"CCCC[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OCC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440801295"	NA
"793137"	793137	NA	"CCCC[C@H](NC(=O)[C@H]1CCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OCC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	"440795764"	NA
"793138"	793138	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](CCC(C)C)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	1	1	"440804117"	NA
"793139"	793139	NA	"CCCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	2	2	"440813002"	NA
"793140"	793140	NA	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5n4)c3c6ccccc6"	0	NA	NA	1	1	"440797040"	NA
"793141"	793141	NA	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5c4)c3c6ccccc6"	0	NA	NA	2	2	"440798578"	NA
"793142"	793142	NA	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5c4)c3"	0	NA	NA	1	1	"440815017"	NA
"793144"	793144	NA	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NS(=O)(=O)C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	"440807412"	NA
"793145"	793145	NA	"CN[C@@H]1C[C@@]2(C)\C=C\C(=C/C=C/C(=O)O[C@@H]([C@H](C)[C@H](O)[C@@H](C)NC(=O)C)[C@H](C)\C=C\C(=C\[C@H]2C=C1)\C)\C"	0	NA	NA	2	2	"440810454"	NA
"793146"	793146	NA	"COC(=O)N[C@@H]1C[C@@]2(C)\C=C\C(=C/C=C/C(=O)O[C@@H]([C@H](C)[C@H](O)[C@@H](C)NC(=O)C)[C@H](C)\C=C\C(=C\[C@H]2C=C1)\C)\C"	0	NA	NA	2	2	"440801290"	NA
"793147"	793147	NA	"CC(C)C(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)CCC=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	"440796303"	NA
"793148"	793148	"RX-5902"	"COc1cc(OC)cc(c1)N2CCN(CC2)C(=O)Nc3nc4cc(F)ccc4nc3OC"	0	""	"Clinical trial"	2	2	"-1"	"888478453"
"793149"	793149	"BAY-876"	"Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(=O)N)c(nn1Cc4ccc(cc4)C#N)C(F)(F)F"	0	"SLC2A1"	"Clinical trial"	2	2	"-1"	"1799753846"
"793150"	793150	"ensartinib"	"C[C@@H](Oc1cc(nnc1N)C(=O)Nc2ccc(cc2)C(=O)N3C[C@@H](C)N[C@@H](C)C3)c4c(Cl)ccc(F)c4Cl"	0	"PK:ALK"	"Clinical trial"	1	1	"-1"	"1370651209"
"793151"	793151	"CC-115"	"CCN1C(=O)CNc2ncc(nc12)c3ccc(nc3C)c4ncn[nH]4"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1228013157"
"793176"	793176	NA	"COc1ccc(\C=C\C(=C\C(=O)\C=C\c2ccc(OC)c(OC)c2OC)\OB(F)F)c(OC)c1OC"	0	NA	NA	1	1	"440801975"	NA
"793309"	793309	NA	"C[C@@]12CC\C=C(\COC(=O)CCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440797033"	NA
"793311"	793311	NA	"CN(C)C[C@H]1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4"	0	NA	NA	1	1	"440812549"	NA
"793316"	793316	NA	"COc1ccc(NC(=O)COCCOCCNC[C@H]2[C@@H]3CC\C(=C/CC[C@@]4(C)O[C@H]4[C@H]3OC2=O)\COC(=O)OC\C\5=C\CC[C@@]6(C)O[C@H]6[C@H]7OC(=O)[C@@H](CN(C)C)[C@@H]7CC5)c(O)c1C(=O)N"	0	NA	NA	1	1	"440806972"	NA
"793323"	793323	"BGB-283"	"FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]3[C@@H]4Oc5ccc(OC6=C7CCC(=O)N=C7NC=C6)cc5[C@H]34"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	"1446090772"
"793324"	793324	"BAY-1125976"	"NC(=O)c1ccc2nc(c3ccc(cc3)C4(N)CCC4)c(c5ccccc5)n2n1"	0	"PK:AKT,AKT2"	"Clinical trial"	2	2	"-1"	"1402608029"
"793453"	793453	NA	"COc1cc2CN(CCN3CCCC3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"440795721"	NA
"793457"	793457	NA	"COc1cc2C(=O)N(CCCn3ccnc3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	1	"440804774"	NA
"793460"	793460	NA	"COc1cc2CN(CCN(C)C)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	"440799986"	NA
"793461"	793461	NA	"COc1cc2CN(CCCn3ccnc3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	"440804719"	NA
"793589"	793589	NA	"CCOC(=O)c1c(C)nc2N(Cc3ccc(F)cc3)C(=O)\C(=C/c4ccc(OC)cc4)\c2c1N"	0	NA	NA	2	1	"440815701"	NA
"793593"	793593	NA	"COc1cccc(CCC2CCCN(C2)c3cc(C)nc(N)n3)c1"	0	NA	NA	2	1	"440799308"	NA
"793595"	793595	NA	"Cc1oc(CCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1"	0	NA	NA	2	2	"440798543"	NA
"793639"	793639	NA	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc(F)cc3"	0	NA	NA	1	1	"440810629"	NA
"793640"	793640	NA	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc(F)c(F)c3"	0	NA	NA	2	2	"440810021"	NA
"793641"	793641	NA	"COc1ccc2C(C(=C(Oc2c1)N(C(=O)C)C(=O)C)C#N)c3ccc(F)cc3"	0	NA	NA	1	1	"440812603"	NA
"793642"	793642	NA	"CCOC(=O)C1=C(N)Oc2cc(OC)ccc2C1c3ccc(F)c(F)c3"	0	NA	NA	1	1	"440813219"	NA
"793647"	793647	NA	"Cc1nccc2c3ccc(OCc4cn(nn4)c5ccc(Br)cc5)cc3n(CCCc6ccccc6)c12"	0	NA	NA	1	1	"440807137"	NA
"793677"	793677	"ASP-5878"	"COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F"	0	"PK:FGFR"	"Clinical trial"	2	2	"-1"	"1453208666"
"793679"	793679	"CNDAC"	"NC1=NC(=O)N(C=C1)C2O[C@H](CO)[C@@H](O)[C@@H]2C#N"	0	""	"Clinical trial"	2	2	"-1"	"134665728"
"793693"	793693	NA	"OC[C@H]1O[C@H]([C@H](O)[C@@]1(O)C#C)n2cc(Br)c3c(Cl)ccnc23"	0	NA	NA	2	2	"440804043"	NA
"793694"	793694	NA	"Nc1ncnc2c1c(cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(F)(F)F"	0	NA	NA	2	2	"440804757"	NA
"793695"	793695	NA	"Nc1ncnc2c1c(cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O)C(F)(F)F"	0	NA	NA	2	2	"440812671"	NA
"793707"	793707	NA	"CCc1cccc(C)c1NC(=O)c2sc3nc4CCCCCc4cc3c2N"	0	NA	NA	1	1	"440815634"	NA
"793724"	793724	NA	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\OC(C)(C)C)c5ccccc5nc34)C2=O"	0	NA	NA	2	2	"440801854"	"292618327"
"793726"	793726	"CCT-245737"	"FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]3CNCCO3"	0	"PK:CHEK1"	"Clinical trial"	1	1	"-1"	"1489389185"
"793836"	793836	NA	"COc1ccc(\C=C\C(=O)c2ccc(NC(=O)CSc3oc(nn3)c4cc(OC)c(OC)c(OC)c4)cc2)cc1"	0	NA	NA	1	1	"440813062"	NA
"793969"	793969	NA	"CCOC(=O)c1noc2c1CCc3c2cn(Cc4ccc(OC)cc4)c3c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	"440807866"	NA
"793973"	793973	NA	"COc1ccc(Cn2cc3c(CCc4c(CO)noc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	2	2	"440815723"	NA
"794093"	794093	NA	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C2=O"	0	NA	NA	1	1	"440807745"	NA
"794094"	794094	NA	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O1)C=CC3=O)C=CC2=O"	0	NA	NA	1	1	"440795891"	NA
"794095"	794095	NA	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C3=O)C=C(Cl)C2=O"	0	NA	NA	1	1	"440813678"	NA
"794097"	794097	NA	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\4/[C@@H](C\C=C/CCCC(=O)O1)C=CC4=O)C=CC3=O)C=CC2=O"	0	NA	NA	1	1	"440804737"	NA
"794109"	794109	"LGH-447"	"C[C@@H]1C[C@H](N)C[C@@H](C1)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F"	0	"PK:PIM1"	"Clinical trial"	1	1	"-1"	"1820565692"
"794112"	794112	NA	"C[C@@]12CC\C=C(\COC(=O)NCCc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440805518"	NA
"794114"	794114	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3cc4ccccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440801532"	NA
"794118"	794118	NA	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4c(F)cccc34)C#N"	0	NA	NA	1	1	"440815122"	NA
"794120"	794120	NA	"NC1=C(C#N)C(c2ccc(Cl)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	1	1	"440799112"	NA
"794171"	794171	NA	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCOCC5)ccnc2c1"	0	NA	NA	1	1	"440813732"	NA
"794172"	794172	NA	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCCCC5)ccnc2c1"	0	NA	NA	1	1	"440815787"	NA
"794173"	794173	NA	"CCN1CCN(CC1)c2nc(NCCNc3ccnc4cc(Cl)ccc34)c5ccccc5n2"	0	NA	NA	1	1	"440799537"	NA
"794182"	794182	NA	"Clc1ccc2c(NCCCCNc3nc(nc4ccccc34)N5CCOCC5)ccnc2c1"	0	NA	NA	1	1	"440813174"	NA
"794184"	794184	NA	"COc1ccc(cc1)c2cc(nc(n2)N3CCOCC3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	"440796208"	NA
"794196"	794196	NA	"CC(=O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4ccccc34"	0	NA	NA	1	1	"440808187"	NA
"794209"	794209	NA	"CCN(CC)[c+]1sc2C(Oc3ccc(Cl)cc3c2s1)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440807121"	NA
"794221"	794221	NA	"CCc1nc(N)nc(N)c1C#CC(C)c2cc(c3ccnc(C)c3)c4oc(C)nc4c2"	0	NA	NA	3	3	"440810176"	NA
"794222"	794222	NA	"CCc1nc(N)nc(N)c1C#CC(C)c2ccc(cc2Cl)c3ccncc3"	0	NA	NA	2	2	"440807748"	NA
"794223"	794223	NA	"CCOc1ccccc1C(=O)N2CCN(CC2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	3	2	"440807424"	NA
"794224"	794224	NA	"CSc1ccc(cc1)C2=CC=CC=C(O)C2=O"	0	NA	NA	1	1	"440807551"	NA
"794225"	794225	NA	"OC1=CC=CC=C(C1=O)c2ccc(cc2)c3occc3"	0	NA	NA	1	1	"440812410"	NA
"794226"	794226	NA	"OC1=CC=CC=C(C1=O)c2ccc(Br)cc2"	0	NA	NA	1	1	"440810457"	NA
"794232"	794232	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccccc3)cc2"	0	NA	NA	1	1	"440805495"	NA
"794233"	794233	NA	"Fc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	"440808240"	NA
"794442"	794442	"PQR-620"	"Nc1cc(C(F)F)c(cn1)c2nc(nc(n2)N3[C@@H]4CC[C@H]3COC4)N5[C@@H]6CC[C@H]5COC6"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	NA
"794443"	794443	"KPT-8602"	"NC(=O)\C(=C\n1cnc(n1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)\c3cncnc3"	0	"XPO1"	"Clinical trial"	2	2	"-1"	"1642300524"
"794455"	794455	"4-(2-Pyridylazo)resorcinol"	"Oc1ccc(\N=N\c2ccccn2)c(O)c1"	0	NA	NA	1	1	"440810421"	"1141599"
"794456"	794456	NA	"CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1"	0	NA	NA	2	2	"440812593"	NA
"794457"	794457	NA	"CN(C)c1ccc(\N=N\c2ccc(Br)cn2)c(O)c1"	0	NA	NA	2	2	"440799215"	NA
"794481"	794481	NA	"CCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440804451"	NA
"794483"	794483	NA	"CCCCCC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(OC)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440799287"	NA
"794499"	794499	NA	"COc1cc(cc(OC)c1OC)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	"440805101"	NA
"794500"	794500	NA	"C[C@@]12CC\C=C(\COC(=O)c3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440805008"	NA
"794502"	794502	NA	"C[C@@]12CC\C=C(\COC(=O)c3ccccc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440813005"	NA
"794504"	794504	NA	"C[C@@]12CC\C=C(\COC(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440810620"	NA
"794506"	794506	NA	"C[C@@]12CC\C=C(\COC(=O)c3ccc(cc3)C#N)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440802270"	NA
"794507"	794507	NA	"C[C@@]12CC\C=C(\COC(=O)c3ccc(Cl)nc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440802377"	NA
"794521"	794521	NA	"CC(=O)O[C@@]29C[O+]([Cu]OCC1OC(O)C(O)C(O)C1O)[C@@H]2C[C@H](O[Cu]OCC3OC(O)C(O)C(O)C3O)[C@@]8(C)C(=O)C(OC(C)O[Cu]Cl)C%10=C(C)[C@@H](OC(O[Cu]Cl)[C@H](O[Cu]Cl)[C@H](c4ccccc4)N(C(=O)c5ccccc5)[Cu](Cl)OCC6OC(O)C(O)C(O)C6O)C[C@@](O[Cu]Cl)([C@@H](OC(=O)c7ccccc7)[C@@H]89)C%10(C)C"	0	NA	NA	2	2	"441653727"	NA
"794557"	794557	NA	"CCCCCn1ncc(n1)c2c(O)c(O)cc3c(O)c(c(C)cc23)c4c(C)cc5c(c(O)c(O)cc5c4O)c6cnn(CCCCC)n6"	0	NA	NA	2	2	"440802203"	NA
"794584"	794584	NA	"CN(CCN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H]1C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C[C@@]1(C)CO"	0	NA	NA	1	1	"440810477"	NA
"794589"	794589	"NTRC-0066-0"	"CCc1cccc(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34"	0	"PK:TTK"	"Clinical trial"	1	1	"-1"	"1817791733"
"794590"	794590	"BAY-1082439"	"COc1c(OC[C@H](O)CN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cccnc5C"	0	"PK:PIK3"	"Clinical trial"	2	2	"-1"	"1375469387"
"794596"	794596	NA	"COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c6ccccc36)c2cc1OC"	0	NA	NA	2	2	"440801668"	NA
"794634"	794634	NA	"CC(C)(C)OC(=O)N1CC(Cn2cc(c3c(Cl)ncnc23)C(F)(F)F)C1"	0	NA	NA	1	1	"440812734"	NA
"794636"	794636	NA	"OCc1c(O)ccc2C(=O)C(=COc12)c3ccc4OCOc4c3"	0	NA	NA	1	1	"440799347"	NA
"794639"	794639	NA	"CCn1cc(\C=C\2/Oc3cc(OCC#N)ccc3C2=O)c4cc(OC)ccc14"	0	NA	NA	2	2	"440795881"	NA
"794646"	794646	"AMG-51"	"COc1cc2c(Oc3ccc(cc3F)C4=CN=C(Nc5ccc(F)cc5)N(C)C4=O)ccnc2cc1OCCCN6CCOCC6"	0	"PK:MET"	"Clinical trial"	2	2	"-1"	"890019633"
"794655"	794655	NA	"NC1=C(C#N)C(C2=CC(=O)Oc3ccc(Cl)cc23)c4ccc5ccccc5c4O1"	0	NA	NA	1	1	"440804656"	NA
"794658"	794658	NA	"Cc1ccc2C(=CC(=O)Oc2c1)C3C(=C(N)Oc4cc5ccccc5cc34)C#N"	0	NA	NA	1	1	"440812345"	NA
"794671"	794671	NA	"COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC"	0	NA	NA	1	1	"440796000"	"20069094"
"794677"	794677	NA	"Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)c12"	0	NA	NA	1	1	"440798489"	NA
"794678"	794678	NA	"CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440815863"	NA
"794698"	794698	NA	"COC(=O)\C=C\c1cc(OC(=O)C)c2OC(C(C(=O)OC)c2c1)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	NA	NA	2	2	"440799561"	"1844061126"
"794717"	794717	NA	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	"440798404"	NA
"794718"	794718	NA	"COc1ccc(cc1OC(=O)CCl)C(=S)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	"440796523"	NA
"794719"	794719	NA	"COc1ccc(cc1OC(=O)C(Cl)(Cl)Cl)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	"440796677"	NA
"794720"	794720	NA	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(OC)c(C)c(OC)c2"	0	NA	NA	2	2	"440813684"	NA
"794723"	794723	NA	"COc1ccc(cc1OC(=O)C)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	"440809933"	NA
"794843"	794843	NA	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3cc(Cl)cc(Cl)c3)c4ccc(Nc5nc(NCCO)nc(NCCO)n5)cc4"	0	NA	NA	1	1	"440801529"	NA
"794920"	794920	NA	"Fc1ccc(CSC2=N\C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)\C(=O)N2)cc1"	0	NA	NA	1	1	"440807611"	NA
"794946"	794946	NA	"CCN1CCC[C@H]1c2cc(O)c3C(=O)C4=C(O)[C@@]5(O)[C@@H](C[C@@H]4Cc3c2OC)[C@H](N)C(=C(C(=O)N)C5=O)O"	0	NA	NA	2	1	"440807598"	"1575498586"
"794947"	794947	NA	"CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(Cl)c(CN5CCc6ccccc6C5)cc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N"	0	NA	NA	1	1	"440812504"	"1254342921"
"795014"	795014	NA	"COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c(Cl)c3)ncnc2cc1OCCCN5CCN(C)CC5"	0	NA	NA	1	1	"440807144"	NA
"795015"	795015	NA	"CN1C(=O)c2cc(Cl)nc3c(NC(=O)c4cccc(Cl)c4)c(Cl)c(NC(=O)c5cccc(Cl)c5)c1c23"	0	NA	NA	1	1	"440810156"	NA
"795055"	795055	NA	"Fc1cccc(c1)C2=Cc3cc(F)ccc3C(=O)N2"	0	NA	NA	2	2	"440804995"	NA
"795067"	795067	"IPI-549"	"C[C@H](NC(=O)c1c(N)nn2cccnc12)C3=Cc4cccc(C#Cc5cnn(C)c5)c4C(=O)N3c6ccccc6"	0	""	"Clinical trial"	1	1	"-1"	"1693758518"
"795068"	795068	NA	"Cc1ccc(cc1)c2csc(\N=C\3/C(=O)Nc4ccccc34)n2"	0	NA	NA	1	1	"440807585"	NA
"795124"	795124	NA	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc(Cl)c3C"	0	NA	NA	2	2	"440804111"	NA
"795134"	795134	NA	"OC(=O)COc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	"440802324"	NA
"795135"	795135	NA	"O=C1C(=O)c2c(nc3ncccn23)c4ccccc14"	0	NA	NA	2	2	"440807047"	NA
"795136"	795136	NA	"FC(F)(F)c1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	NA	NA	2	1	"440812987"	NA
"795137"	795137	NA	"Nc1ccc2c(c1)C(=O)C(=O)c3c2nc4ccccn34"	0	NA	NA	1	1	"440813211"	NA
"795140"	795140	NA	"COc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	NA	NA	1	1	"440807651"	NA
"795142"	795142	"M2698"	"NC(=O)c1cccc2c(N[C@H](CN3CCC3)c4ccc(Cl)c(c4)C(F)(F)F)ncnc12"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	"-1"	"1379545955"
"795174"	795174	NA	"Cc1nccc2c3ccc(OCc4cn(nn4)c5ccc(Cl)cc5)cc3n(CCCc6ccccc6)c12"	0	NA	NA	1	1	"440802295"	NA
"795178"	795178	NA	"CCCCn1c2cc(OCc3cn(nn3)c4ccc(Cl)cc4)ccc2c5ccnc(C)c15"	0	NA	NA	1	1	"440801665"	NA
"795194"	795194	NA	"Clc1cccc(c1)c2c[nH]c3c4C(=O)NCc4ccc23"	0	NA	NA	2	2	"440804962"	NA
"795213"	795213	NA	"Fc1ccc(cc1)c2nc(N\N=C\c3c[nH]c4ccccc34)nc(N5CCOCC5)c2C#N"	0	NA	NA	1	1	"440801651"	NA
"795222"	795222	NA	"Cc1ccn2c3C(=O)c4ccccc4C(=O)c3c(C(=O)O)c2c1"	0	NA	NA	2	2	"440798839"	NA
"795241"	795241	NA	"CCOC(=O)C1CCN(CC1)S(=O)(=O)\N=C/2\NC(=O)NC2=C(Cl)Cl"	0	NA	NA	1	1	"440806954"	NA
"795287"	795287	NA	"COC(=O)c1nc(oc1S(=O)(=O)n2nc(C)cc2N)c3ccccc3"	0	NA	NA	1	1	"440799370"	NA
"795292"	795292	NA	"COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c(O)c1C(=O)N"	0	NA	NA	1	1	"440807217"	NA
"795311"	795311	NA	"CCCn1cc(\C=N/N=C\2/C(=O)Nc3ccc(C)cc23)c4ccccc14"	0	NA	NA	1	1	"440795923"	NA
"795315"	795315	NA	"COc1cc(cc2O[C@H]3[C@@](C)(CC[C@@H](O)C3(C)C)Cc12)C(=O)Nc4cc(OC)c5ccn(C)c5c4"	0	NA	NA	1	1	"440799415"	NA
"795316"	795316	NA	"COc1cc(NC(=O)c2cc(OC)c3ccn(C)c3c2)cc4O[C@H]5[C@@](C)(CC[C@@H](O)C5(C)C)Cc14"	0	NA	NA	1	1	"440807368"	NA
"795337"	795337	NA	"COc1ccc2NC(=O)C3(C(=C(Nc4c3c(nn4c5ccccc5)c6ccccc6)c7ccccc7)C#N)c2c1"	0	NA	NA	1	1	"440802066"	NA
"795379"	795379	NA	"COc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc5ncn(C6CCCCC6)c5c4"	0	NA	NA	1	1	"440805098"	NA
"795384"	795384	"serabelisib"	"Nc1oc2ccc(cc2n1)c3ccc4ncc(C(=O)N5CCOCC5)n4c3"	0	""	"Clinical trial"	1	1	"-1"	"1268454234"
"795432"	795432	NA	"COc1ccc(\C=C(\C(=O)N2CCCCC2)/c3cc(OC)c(OC)c(OC)c3)cc1"	0	NA	NA	1	1	"440799218"	NA
"795433"	795433	NA	"COc1ccc(\C=C(\C(=O)N2CCCC2)/c3cc(OC)c(OC)c(OC)c3)cc1N"	0	NA	NA	1	1	"440813042"	NA
"795434"	795434	NA	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccc(C)cc3)/c4cc(OC)c(OC)c(OC)c4)cc1N"	0	NA	NA	2	2	"440809580"	NA
"795435"	795435	NA	"[O-][N+](=O)c1ccc(CN2C(=O)\C(=C/C(=O)c3ccc(OCCN4CCCCC4)cc3)\c5ccccc25)cc1"	0	NA	NA	1	1	"440801974"	NA
"795440"	795440	NA	"[2H]c1nc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc(c1[2H])c3cn(c4ccccc34)C([2H])([2H])[2H]"	0	NA	NA	1	1	"440807376"	NA
"795464"	795464	NA	"Cc1cc2c(c(O)c(O)cc2c(O)c1c3c(C)cc4c(c(O)c(O)cc4c3O)c5nc6ccccc6[nH]5)c7nc8ccccc8[nH]7"	0	NA	NA	2	1	"440801408"	NA
"795489"	795489	NA	"CCC1=C(C)c2ccc(OCC(=O)N\N=C/3\C(=O)Nc4ccccc34)c(C)c2OC1=O"	0	NA	NA	2	1	"440812657"	NA
"795502"	795502	NA	"CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(NCc5ccc(cc5)C(=O)NO)c4C(=O)N3c6ccccc6"	0	NA	NA	1	1	"440804770"	NA
"795666"	795666	NA	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CC(O)N(O)C1=O"	0	NA	NA	1	1	"440796368"	NA
"795754"	795754	NA	"CC(C)CSc1nc(Nc2ccccc2)c(C#N)c(n1)c3ccc(F)cc3"	0	NA	NA	1	1	"440799006"	NA
"795777"	795777	NA	"CN1\C(=N/N=C(/C)\c2ccccn2)\Nc3ccccc13"	0	NA	NA	2	2	"440801927"	NA
"795846"	795846	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](CC#Cc6ccc(Br)cc6)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	"440807654"	NA
"795902"	795902	NA	"CCOc1ccccc1C(=O)\C=C\C2=Cc3ccccc3NC2=O"	0	NA	NA	2	2	"440808256"	NA
"795903"	795903	NA	"COc1cccc2C=C(\C=C\C(=O)c3ccccc3OC)C(=O)Nc12"	0	NA	NA	2	2	"440807800"	NA
"795935"	795935	NA	"Fc1ccc(cc1)C2=NN(CC(=O)Nc3nc4ccccc4s3)C(=O)CC2"	0	NA	NA	2	2	"440812705"	NA
"795957"	795957	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)(C)C)OC(=O)C"	0	NA	NA	2	2	"440804915"	NA
"795959"	795959	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](CC)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	2	2	"440812777"	NA
"795960"	795960	NA	"CC[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440801470"	NA
"795961"	795961	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	2	2	"440809876"	NA
"795962"	795962	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2cccc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440810044"	NA
"795963"	795963	NA	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1cccc(n1)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	2	2	"440798561"	NA
"795964"	795964	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440816408"	NA
"795965"	795965	NA	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(s1)C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	2	2	"440804779"	NA
"796020"	796020	NA	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4ccccc34"	0	NA	NA	2	2	"440816432"	NA
"796023"	796023	NA	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	"440799157"	NA
"796024"	796024	NA	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	"440813240"	NA
"796026"	796026	NA	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	"440809845"	NA
"796054"	796054	NA	"CC(=O)ON1CCCC(C1=O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C"	0	NA	NA	2	2	"440798532"	NA
"796113"	796113	NA	"CCCCN1C(=O)C(=Cc2ccccc12)\C=C\C(=O)\C=C\C3=Cc4ccccc4N(CCCC)C3=O"	0	NA	NA	1	1	"440813785"	NA
"796114"	796114	NA	"COc1ccc2NC(=O)C(=Cc2c1)\C=C\C(=O)\C=C\c3ccc(O)c(OC)c3"	0	NA	NA	1	1	"440796532"	NA
"796173"	796173	NA	"CC\C(=C(/c1ccc(OCCN2CCCC2)cc1)\c3ccc(OC(=O)NCc4ccccc4)cc3)\Cc5ccccc5"	0	NA	NA	1	1	"440801498"	NA
"796178"	796178	NA	"CC\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)NCc4ccccc4)cc3)\Cc5ccccc5"	0	NA	NA	1	1	"440806916"	NA
"796216"	796216	NA	"CCOC(=O)c1ccccc1c2c3ccc(cc3[o+]c4cc(ccc24)N(C)C)N(C)C"	0	NA	NA	2	2	"440812771"	"115532520"
"796237"	796237	NA	"NC1=C(C#N)C(c2ccc(cc2)[N+](=O)[O-])c3sc4c(F)cccc4c3O1"	0	NA	NA	2	2	"440798471"	NA
"796238"	796238	NA	"NC1=C(C#N)C(c2ccc(F)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	2	2	"440796358"	NA
"796302"	796302	NA	"Nc1n[nH]c2cccc(C#Cc3cccc(c3)C(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c12"	0	NA	NA	1	1	"440797055"	NA
"796304"	796304	NA	"CC1(CCn2cnc3ncnc(N1O)c23)\C=C\c4ccc(cc4)c5ccccc5"	0	NA	NA	2	2	"440810662"	"1807484883"
"796317"	796317	NA	"C[C@@]12CC\C=C(\COC(=O)CSCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440804315"	NA
"796318"	796318	NA	"C[C@@]12CC\C=C(\COC(=O)CCSSCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440815716"	NA
"796319"	796319	NA	"CC(C)Cc1ccc(cc1)C(C)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	"440810529"	NA
"796342"	796342	NA	"[Fe+2]12([n]3c(c4ccccn4)ccc(c3)COC[C@H](N=Cc3[n]([Fe+2]([n]4c(c5ccccn5)ccc(c4)COC[C@H](N=Cc4[n]1nn(Cc1ccccc1)c4)c1ccccc1)([n]1c(c4ccccn4)ccc(c1)COC[C@H]([N]\2=C\c1nnn(Cc2ccccc2)c1)c1ccccc1)([Cl-])[Cl-])nn(Cc1ccccc1)c3)c1ccccc1)([Cl-])[Cl-]"	0	NA	NA	1	1	"441653758"	NA
"796343"	796343	NA	"[Fe+2]12(/[N](=C/c3ncc(OCc4nnn(Cc5ccccc5)c4)cc3)[C@@H](COCc3ccc(c4ccccn4)[n]([Fe+2]([n]4c(c5ccccn5)ccc(c4)COC[C@H](N=Cc4[n]1cc(OCc1nnn(Cc5ccccc5)c1)cc4)c1ccccc1)([n]1cc(OCc4nnn(Cc5ccccc5)c4)ccc1C=N[C@@H](COCc1ccc(c4ccccn4)[n]2c1)c1ccccc1)([Cl-])[Cl-])c3)c1ccccc1)([Cl-])[Cl-]"	0	NA	NA	1	1	"441653625"	NA
"796412"	796412	NA	"COc1ccc(cc1)c2nc3sc(cn3n2)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440798837"	NA
"796430"	796430	NA	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCc1ccccc1)[O-]C(=O)CCCc2ccccc2"	0	NA	NA	2	2	"440799129"	NA
"796472"	796472	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440799469"	NA
"796476"	796476	NA	"CCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(OC)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440797053"	NA
"797011"	797011	NA	"CCN(C(=O)N1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4)c5nc(cs5)c6ccc(Cl)cc6"	0	NA	NA	2	1	"440813258"	NA
"797081"	797081	NA	"CN1C(=O)N(C)c2nc(SC\C(=N\O)\c3ccc(Br)cc3)[nH]c2C1=O"	0	NA	NA	1	1	"440813012"	NA
"797172"	797172	"A-1331852"	"Cc1c(cnn1CC23CC4CC(CC(C4)C2)C3)c5ccc(nc5C(=O)O)N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6"	0	""	"Clinical trial"	2	2	"-1"	"1430844806"
"797191"	797191	NA	"CSc1nc2ccc(C)cc2cc1\C=C/3\C=C(NC3=O)c4ccccc4"	0	NA	NA	1	1	"440801571"	NA
"797221"	797221	NA	"COC(=O)\C=C/1\S\C(=N/c2ccc(F)cc2)\N(CCc3c[nH]c4ccc(O)cc34)C1=O"	0	NA	NA	1	1	"440797032"	NA
"797251"	797251	NA	"C[C@]12CCC3[C@@H](C[C@@H]4SC(=N[C@@]45CC(=O)CC[C@]35C)Nc6ccccc6)[C@@H]1CCC2=O"	0	NA	NA	1	1	"440807078"	NA
"797349"	797349	NA	"Clc1ccc2CCN(c2c1)c3ncnc4ccc(cc34)c5cnc6[nH]ccc6c5"	0	NA	NA	1	1	"440815237"	NA
"797352"	797352	NA	"CCCNNC(=O)\C=C\c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1"	0	NA	NA	2	2	"440804925"	NA
"797353"	797353	NA	"CCCNNC(=O)c1ccc(CNC(=O)\C=C\c2ccccc2)cc1"	0	NA	NA	2	2	"440795855"	NA
"797360"	797360	NA	"Clc1ccc(\C=N\NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1"	0	NA	NA	1	1	"440804878"	NA
"797381"	797381	NA	"CNC(=O)Cc1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	"440815303"	NA
"797394"	797394	NA	"NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N[C@H]4CCc5ccccc45)ncnc23"	0	NA	NA	2	2	"440795813"	"905578770"
"797419"	797419	NA	"Oc1ccc(F)cc1C(=O)Nc2ccc(Br)c(Cl)c2"	0	NA	NA	2	2	"440796614"	NA
"797420"	797420	NA	"COc1ccc(C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])c(OC)c1"	0	NA	NA	1	1	"440799252"	NA
"797462"	797462	NA	"Fc1ccc(cc1)c2cc(nc3NC(=O)Sc23)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	"440807546"	NA
"797519"	797519	NA	"Cc1nc(Nc2cccnc2)sc1C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	"440815217"	NA
"797533"	797533	NA	"CCN1C(=O)C2=C(Oc3oc4C(=O)c5ccccc5C(=O)c4c3C2=O)c6ccccc16"	0	NA	NA	2	2	"440804333"	NA
"797537"	797537	NA	"Oc1nc(C2=C(C(=O)c3ccccc3C2=O)c4nc(O)c5ccc(Br)cc5c4O)c(O)c6cc(Br)ccc16"	0	NA	NA	2	1	"440815163"	NA
"797552"	797552	NA	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)c2ccc(OC)c(OC(=O)CCl)c2OC"	0	NA	NA	1	1	"440802366"	NA
"797554"	797554	NA	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1O"	0	NA	NA	2	2	"440802700"	NA
"797555"	797555	NA	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1NC(=O)C"	0	NA	NA	2	2	"440796312"	NA
"797556"	797556	NA	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)c2ccc(OC)c(O)c2OC"	0	NA	NA	1	1	"440795516"	NA
"797557"	797557	NA	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl"	0	NA	NA	2	2	"440812951"	NA
"797558"	797558	NA	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)CCl)C(=O)CCl"	0	NA	NA	2	2	"440804275"	NA
"797559"	797559	NA	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1OC(=O)C(Cl)Cl"	0	NA	NA	2	2	"440796631"	NA
"797583"	797583	NA	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	2	1	"440815408"	NA
"797584"	797584	NA	"COc1cccc(\C=C\C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c1"	0	NA	NA	1	1	"440795837"	NA
"797585"	797585	NA	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccccc3F)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440812732"	NA
"797586"	797586	NA	"CC(C)Cc1ccc(cc1)C(C)C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	"440805009"	NA
"797587"	797587	NA	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccccc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440808269"	NA
"797623"	797623	NA	"NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	NA	NA	1	1	"440813729"	NA
"797650"	797650	NA	"COc1cc(\C=N\NC(=O)c2cnn3CC(Nc23)c4ccccc4)ccc1OCc5ccccc5"	0	NA	NA	2	2	"440809763"	NA
"797653"	797653	"WT-161"	"ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)N(c2ccccc2)c3ccccc3"	0	"HDAC"	"Clinical trial"	1	1	"-1"	"1206731578"
"797676"	797676	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccccc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	"440804212"	NA
"797694"	797694	NA	"Clc1ccc(cc1)c2csc(NC(=O)c3cc(nc4ccc(Cl)cc34)c5ccc(Br)cc5)n2"	0	NA	NA	1	1	"440810037"	NA
"797698"	797698	NA	"Clc1ccc(cc1)c2cc(C(=O)Nc3nc(cs3)c4ccccc4Cl)c5cc(Cl)ccc5n2"	0	NA	NA	1	1	"440804744"	NA
"797715"	797715	NA	"Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)Nc3ccc(Cl)cc3)c1"	0	NA	NA	1	1	"440799102"	NA
"797734"	797734	NA	"[O-][N+](=O)c1ccc2[nH]cc(c3c4ccsc4cc5[nH]c6ccc(cc6c35)[N+](=O)[O-])c2c1"	0	NA	NA	2	2	"440796603"	NA
"797755"	797755	NA	"Cc1ccc(cc1)C(=O)Nc2ccccc2C(=O)N\N=C(/c3ccccc3)\c4ccccn4"	0	NA	NA	2	2	"440807181"	NA
"797756"	797756	NA	"Fc1ccc(cc1)C(=O)Nc2ccccc2C(=O)N\N=C(/c3ccccc3)\c4ccccn4"	0	NA	NA	2	2	"440809874"	NA
"797764"	797764	NA	"CC(C)(C)c1cc(\C=N\NC(=O)c2ccccc2NC(=O)c3cccs3)c(O)c(c1)C(C)(C)C"	0	NA	NA	1	1	"440805146"	NA
"797769"	797769	"ABC-1183"	"Cc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(cc3)C#N)cc1"	0	""	"Clinical trial"	2	2	"-1"	"1042735181"
"797770"	797770	"CEP-40783"	"COc1cc2nccc(Oc3ccc(NC(=O)C4=CN(C(C)C)C(=O)N(C4=O)c5ccc(F)cc5)cc3F)c2cc1OC"	0	""	"Clinical trial"	2	2	"-1"	"1437321248"
"797771"	797771	"ulixertinib"	"Cl.CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[C@H](CO)c3cccc(Cl)c3"	0	"PK:ERK"	"Clinical trial"	1	1	"-1"	"1956366101"
"797772"	797772	"selonsertib"	"CC(C)n1cnnc1c2cccc(NC(=O)c3cc(c(C)cc3F)n4cnc(c4)C5CC5)n2"	0	"PK:MAP3K5"	"Clinical trial"	1	1	"-1"	"1448428043"
"797878"	797878	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(F)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440802231"	NA
"797879"	797879	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(Br)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440807411"	NA
"797880"	797880	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440796400"	NA
"797881"	797881	NA	"C[C@@]12CC\C=C(\COC(=O)NCCc3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440796008"	NA
"797882"	797882	NA	"COc1ccc2[nH]cc(CCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	1	1	"440809616"	NA
"797898"	797898	NA	"COc1cccc(c1)c2cc(ccc2OC)C(=O)Nc3ccc(\C=C\c4ccc(OC5CCN(C)CC5)cc4)cc3"	0	NA	NA	1	1	"440798757"	NA
"797904"	797904	NA	"Nc1n[nH]c2cccc(C#Cc3cccc(c3)C(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c12"	0	NA	NA	1	1	"440798589"	NA
"797905"	797905	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)(C)CC)OC(=O)C"	0	NA	NA	2	1	"440813039"	NA
"797906"	797906	NA	"CCC(C)(C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	"440795798"	NA
"797907"	797907	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@H](O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440807718"	NA
"797908"	797908	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@H](O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440812740"	NA
"797909"	797909	NA	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CC(=O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440798605"	NA
"797910"	797910	NA	"COC(=O)[C@H](C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C)NC(=O)OCc4ccccc4"	0	NA	NA	2	2	"440807798"	NA
"797911"	797911	NA	"COC(=O)[C@@H](C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C)NC(=O)OCc4ccccc4"	0	NA	NA	2	2	"440802151"	NA
"797912"	797912	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](CCN3C)O[Si](C)(C)C(C)(C)C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440812782"	NA
"797913"	797913	NA	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2CCOCc3ccccc3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	"440810509"	NA
"797914"	797914	NA	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(CCOCc3ccccc3)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C"	0	NA	NA	2	2	"440810448"	NA
"797926"	797926	NA	"COc1cc2C(=O)N(CCN(C)C)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	"440799019"	NA
"797928"	797928	NA	"COc1cc2C(=O)N(CCN)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	"440815344"	NA
"797929"	797929	NA	"CNCCN1C(=O)c2cc(OC)c(OC)cc2c3ccc4cc5OCOc5cc4c13"	0	NA	NA	2	2	"440815144"	NA
"797930"	797930	NA	"CCN(CC)CCN1C(=O)c2cc(OC)c(OC)cc2c3ccc4cc5OCOc5cc4c13"	0	NA	NA	2	2	"440807781"	NA
"797932"	797932	"PLX-8394"	"F[C@@H]1CCN(C1)S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(cc34)c5cnc(nc5)C6CC6)c2F"	0	"PK:BRAF"	"Clinical trial"	2	2	"-1"	"1393466879"
"797934"	797934	"Plinabulin"	"CC(C)(C)c1[nH]cnc1\C=C\2/NC(=O)\C(=C\c3ccccc3)\NC2=O"	0	""	"Clinical trial"	3	2	"-1"	"714272272"
"797937"	797937	"Sulfatinib"	"CN(C)CCNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1"	0	"PK:YK,FGFR,KDR"	"FDA approved"	1	1	"-1"	"1308672743"
"797938"	797938	"AZD-5153"	"COc1nnc2ccc(nn12)N3CCC(CC3)c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4"	0	""	"Clinical trial"	2	2	"-1"	"1869912402"
"797944"	797944	NA	"C1[C@H]2C[C@H]3[C@@]4([C@@H]1C[C@@H](C2)C3)OO[C@]1(O4)CC[C@@H](CC1)C(=O)NCCC[NH2+]CCCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[C@@]2(OO[C@]3([C@H]4C[C@H]5C[C@@H]3C[C@H](C5)C4)O2)CC1"	0	NA	NA	1	1	"441653684"	NA
"797954"	797954	NA	"Clc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	"440810672"	NA
"797955"	797955	NA	"Cc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	"440798763"	NA
"797957"	797957	NA	"FC(F)(F)c1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	"440810205"	NA
"797958"	797958	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(F)cc3)cc2"	0	NA	NA	1	1	"440804249"	NA
"797959"	797959	NA	"CCn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(F)cc3)cc2"	0	NA	NA	1	1	"440798872"	NA
"797961"	797961	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(Cl)cc3)cc2"	0	NA	NA	1	1	"440804039"	NA
"797971"	797971	NA	"C[C@]12CC[C@H]3[C@@H](C[C@@H]4SC(=N[C@@]45CC(O)CC[C@]35C)Nc6ccccc6)[C@@H]1CCC2O"	0	NA	NA	1	1	"440804980"	NA
"798013"	798013	NA	"COC(=O)C1=C(C2OC1(C=C2)C(Cc3ccccc3)Nc4ccccc4)C(=O)ON"	0	NA	NA	1	1	"440815269"	NA
"798060"	798060	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(\C)/Cc2ccc(OC)cc2)\c3ccc(OCCCN(C)C)cc3"	0	NA	NA	1	1	"440801939"	NA
"798069"	798069	NA	"CCN(CC)CCOc1ccc(cc1)\C(=C(/C)\Cc2ccc(OC)cc2)\c3ccc(OC(=O)NCc4ccccc4)cc3"	0	NA	NA	1	1	"440804084"	NA
"798076"	798076	NA	"CCN(CC)CCOc1ccc(cc1)\C(=C(/C)\Cc2ccc(OC)cc2)\c3ccc(O)cc3"	0	NA	NA	1	1	"440801379"	NA
"798089"	798089	NA	"CC(=O)c1cc(c2ccccc2N)n(c1C)c3ccc4OCOc4c3"	0	NA	NA	2	2	"440802275"	NA
"798108"	798108	NA	"COc1ccc(Oc2nc(Nc3ccc(cc3)N4CCOCC4)ncc2NC(=O)Nc5cc(OC)cc(OC)c5)cc1"	0	NA	NA	1	1	"440797298"	NA
"798138"	798138	NA	"COc1cc2OC(CC(=O)c2c(OC)c1OC)c3cccc(NC(=O)c4ccc(Br)cc4)c3"	0	NA	NA	1	1	"440811299"	NA
"798179"	798179	NA	"COc1ccc(cc1)C(=O)Nc2cccc(c2)C3CC(=O)c4c(O3)cc(OC)c(OC)c4OC"	0	NA	NA	1	1	"440816687"	NA
"798183"	798183	NA	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)NCC[N+](C)(C)C"	0	NA	NA	1	1	"440814001"	NA
"798200"	798200	"TP-0903"	"CN(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2Cl"	0	"PK:AXL"	"Clinical trial"	2	2	"-1"	"1341200450"
"798260"	798260	NA	"FB(F)O\C(=C/C(=O)\C=C\c1ccc2[nH]cc(SC#N)c2c1)\C=C\c3ccc4[nH]cc(SC#N)c4c3"	0	NA	NA	2	2	"440799678"	NA
"798261"	798261	NA	"O\C(=C/C(=O)\C=C\c1ccc2[nH]cc(SC#N)c2c1)\C=C\c3ccc4[nH]cc(SC#N)c4c3"	0	NA	NA	1	1	"440816158"	NA
"798262"	798262	NA	"FB(F)O\C(=C/C(=O)\C=C\c1cccc2[nH]cc(SC#N)c12)\C=C\c3cccc4[nH]cc(SC#N)c34"	0	NA	NA	2	2	"440810735"	NA
"798263"	798263	NA	"O\C(=C/C(=O)\C=C\c1cccc2[nH]cc(SC#N)c12)\C=C\c3cccc4[nH]cc(SC#N)c34"	0	NA	NA	2	2	"440807941"	NA
"798269"	798269	NA	"FB(F)O\C(=C/C(=O)\C=C\c1ccc2[nH]ccc2c1)\C=C\c3ccc4[nH]ccc4c3"	0	NA	NA	1	1	"440807933"	NA
"798303"	798303	"BPTES"	"O=C(Cc1ccccc1)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccc4)s3)s2"	0	"GLS"	"Clinical trial"	1	1	"-1"	"314045391"
"798304"	798304	"EC-330"	"C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C#C)c5ccc(cc5)C6CC6"	0	"MDM2"	"Clinical trial"	3	3	"-1"	"2016795778"
"798517"	798517	"SAR-20347"	"NC(=O)c1nc(oc1Nc2ccc(cc2)C(=O)N3CCOCC3)c4c(F)cccc4Cl"	0	"PK:TYK2"	"Clinical trial"	1	1	"-1"	"1450881556"
"798522"	798522	NA	"COc1ccc(cc1)N(C)c2nc(Cl)nc3cnn(C)c23"	0	NA	NA	2	2	"440805336"	NA
"798524"	798524	NA	"CCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"	0	NA	NA	1	1	"440813559"	NA
"798525"	798525	NA	"CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"	0	NA	NA	1	1	"440799773"	NA
"798637"	798637	NA	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)C(=O)Nc4cc(O)c(CC=C(C)C)c(O)c4"	0	NA	NA	1	1	"440816252"	NA
"798638"	798638	NA	"COc1cc(NC(=O)c2cc(O)c(CC=C(C)C)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	NA	NA	1	1	"440808053"	NA
"798680"	798680	NA	"O=C(Nc1ccccc1C(=O)N\N=C(/c2ccccc2)\c3ccccn3)c4ccccc4"	0	NA	NA	2	2	"440816256"	NA
"798698"	798698	NA	"C[C@@H](N)C(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2c3ccc(F)cc3)c1)c4ccc5OCCOc5c4"	0	NA	NA	1	1	"440796839"	NA
"798705"	798705	NA	"C[C@]12CC[C@H]3[C@@H](C[C@@H]4N=C(S[C@@]45C[C@H](O)CC[C@]35C)c6ccc(O)cc6)[C@@H]1CC[C@@H]2O"	0	NA	NA	1	1	"440816255"	NA
"798709"	798709	NA	"CCCCNC(=O)Oc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	"440802553"	NA
"798710"	798710	NA	"Oc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	"440813560"	NA
"798752"	798752	NA	"CCS\C(=C(/C#N)\C(=O)Nc1ccc(OC)cc1)\Nc2ccccc2"	0	NA	NA	1	1	"440799865"	NA
"798753"	798753	NA	"CCS\C(=C(/C#N)\C(=O)N\N=C\c1ccc(Cl)cc1Cl)\Nc2ccccc2"	0	NA	NA	1	1	"440813613"	NA
"798758"	798758	NA	"CCOC(=O)c1c(N)n2nc(N)c(C#N)c2c(C#N)c1c3ccc(OC)cc3"	0	NA	NA	1	1	"440814008"	NA
"798795"	798795	NA	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)Cc4ccccc4)cc3)\c5ccc(Cl)cc5"	0	NA	NA	1	1	"440805409"	NA
"798799"	798799	"GS-9901"	"Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)C3=Nc4c(F)ccc(Cl)c4C(=O)N3c5cccnc5)n1"	0	""	"Clinical trial"	1	1	"-1"	"1640247875"
"798823"	798823	NA	"CNCCOc1nc2c3cnccc3cc(c4cc(OC)c(OC)c(OC)c4)c2c5ccncc15"	0	NA	NA	2	2	"440796783"	NA
"798846"	798846	"S-63845"	"CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc6ccnn6CC(F)(F)F)C(=O)O)c34)c7oc(F)cc7)CC1"	0	""	"Clinical trial"	3	3	"-1"	"1799633274"
"798862"	798862	NA	"C[C@@]12CC\C=C(\CNC(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440808334"	NA
"798863"	798863	NA	"C[C@@]12CC\C=C(\CNS(=O)(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440797156"	NA
"798973"	798973	NA	"[O-][N+](=O)c1ccc(\C=C(/C(=O)c2ccc(F)cc2)\S(=O)Cc3ccc(F)cc3)cc1"	0	NA	NA	1	1	"440811149"	NA
"798976"	798976	NA	"Cc1ccc(cc1)C(=O)\C(=C/c2ccc(cc2)[N+](=O)[O-])\S(=O)Cc3ccc(F)cc3"	0	NA	NA	1	1	"440808342"	NA
"798978"	798978	NA	"Cc1ccc(cc1)C(=O)\C(=C\c2ccc(cc2)[N+](=O)[O-])\SCc3ccc(Cl)cc3"	0	NA	NA	1	1	"440808332"	NA
"799156"	799156	NA	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(cc2)S(=O)(=O)C)c(O)c1"	0	NA	NA	2	2	"440808341"	NA
"799191"	799191	NA	"COc1cccc(c1)\C(=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccc(cc4)S(=O)(=O)N)\C"	0	NA	NA	1	1	"440816538"	NA
"799248"	799248	NA	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)C"	0	NA	NA	1	1	"440796949"	NA
"799249"	799249	NA	"CC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC5OCC(O)C(O)C5NC(=O)C"	0	NA	NA	1	1	"440808126"	NA
"799250"	799250	NA	"CC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC5OCC(O)C(O)C5NS(=O)(=O)C"	0	NA	NA	1	1	"440808141"	NA
"799251"	799251	NA	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)C(C)C"	0	NA	NA	1	1	"440805423"	NA
"799252"	799252	NA	"COC(=O)OC1C(O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC6OCC(O)C(O)C6OC(=O)c7ccc(OC)cc7"	0	NA	NA	1	1	"440805435"	NA
"799253"	799253	NA	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)N"	0	NA	NA	1	1	"440808119"	NA
"799254"	799254	NA	"CNC(=O)OC1C(O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC6OCC(O)C(O)C6OC(=O)c7ccc(OC)cc7"	0	NA	NA	1	1	"440799884"	NA
"799255"	799255	NA	"COc1ccc2[nH]cc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	1	1	"440799885"	NA
"799258"	799258	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3n[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440796935"	NA
"799259"	799259	NA	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	"440816369"	NA
"799260"	799260	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCl)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440805440"	NA
"799299"	799299	NA	"COc1ccc2c(oc3c(C)c4C(=O)N(N)C(=O)c4c(C)c23)c1"	0	NA	NA	1	1	"440805749"	NA
"799315"	799315	NA	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NNC(=S)N(Cc4cccc(C[N+](Cc5cccc(CNC67CC8CC(CC(C8)C6)C7)c5)(Cc9cccc(CNC%10%11CC%12CC(CC(C%12)C%10)C%11)c9)Cc%13cccc(CN(C(=S)NNC%14=CC=C%15C(=CC%14=O)[C@H](CCc%16cc(OC)c(OC)c(OC)c%15%16)NC(=O)C)C%17%18CC%19CC(CC(C%19)C%17)C%18)c%13)c4)C%20%21CC%22CC(CC(C%22)C%20)C%21"	0	NA	NA	1	1	"440800221"	NA
"799318"	799318	"zanubrutinib"	"NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1c4ccc(Oc5ccccc5)cc4"	0	"PK:BTK"	"FDA approved"	1	1	"-1"	"1633350067"
"799323"	799323	NA	"Cc1c(NC(=O)OC[C@@H]2COCCN2)cn3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c13"	0	NA	NA	1	1	"440802673"	NA
"799324"	799324	NA	"COCc1c(CN2CCOCC2)n3ncnc(N)c3c1c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)c(F)c4"	0	NA	NA	1	1	"440805443"	NA
"799325"	799325	NA	"CCN1CCN(Cc2ccc(cc2)c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)CC1"	0	NA	NA	1	1	"440810936"	NA
"799326"	799326	NA	"Nc1ncnc2c1c(cn2[C@@H]3C[C@H](CN4CCC4)C3)c5cccc(OCc6ccccc6)c5"	0	NA	NA	1	1	"440810971"	NA
"799327"	799327	"Afatinib"	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4"	0	NA	NA	2	2	"440808165"	NA
"799328"	799328	NA	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	NA	NA	1	1	"440808160"	NA
"799330"	799330	NA	"CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	NA	NA	2	2	"440799882"	NA
"799334"	799334	NA	"C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1"	0	NA	NA	2	2	"440808134"	NA
"799335"	799335	NA	"Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc5ccn6ncnc6c5"	0	NA	NA	1	1	"440802670"	NA
"799337"	799337	NA	"NC[C@@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3cn[nH]c3"	0	NA	NA	1	1	"440802649"	NA
"799338"	799338	NA	"Clc1cccc(Cl)c1C(=O)Nc2cn[nH]c2C(=O)NC3CCNCC3"	0	NA	NA	2	2	"440813646"	NA
"799339"	799339	NA	"O=C(NC1CC1)NC2=CNN/C/2=C/3\N=C4C=CC(=CC4=N3)CN5CCOCC5"	0	NA	NA	1	1	"440816373"	NA
"799340"	799340	NA	"CN1CCN(CC1)C(C)(C)C#Cc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C"	0	NA	NA	2	2	"440805420"	NA
"799341"	799341	"Axitinib"	"CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2"	0	NA	NA	1	1	"440799901"	NA
"799342"	799342	"Picropodophyllin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	2	1	"440808129"	NA
"799345"	799345	NA	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	2	2	"440808139"	NA
"799346"	799346	NA	"COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N4C[C@@H](C)N[C@@H](C)C4)n[nH]2)cc(OC)c1"	0	NA	NA	1	1	"440799900"	NA
"799347"	799347	NA	"NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCO)c4ccc(Cl)cc4"	0	NA	NA	2	2	"440802647"	NA
"799348"	799348	NA	"CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)C)n2"	0	NA	NA	2	2	"440810968"	NA
"799349"	799349	NA	"C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C"	0	NA	NA	1	1	"440802642"	NA
"799350"	799350	NA	"NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3"	0	NA	NA	2	2	"440810957"	NA
"799351"	799351	NA	"COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	2	1	"440810967"	NA
"799353"	799353	NA	"CN1C(=O)C(=CC(=C1Nc2ccc(I)cc2F)C(=O)NOCCO)C"	0	NA	NA	2	2	"440802663"	NA
"799354"	799354	NA	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cncnc5)c3)C1"	0	NA	NA	1	1	"440808148"	NA
"799356"	799356	NA	"CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1"	0	NA	NA	2	2	"440813625"	NA
"799358"	799358	NA	"COc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2"	0	NA	NA	2	2	"440802666"	NA
"799359"	799359	NA	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O"	0	NA	NA	2	2	"440802641"	NA
"799360"	799360	NA	"CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)/c4ccccc4)\C(=O)Nc2c1"	0	NA	NA	2	2	"440808162"	NA
"799361"	799361	NA	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO"	0	NA	NA	2	2	"440808120"	NA
"799362"	799362	NA	"CC(C)(C)c1oc(CSc2cnc(NC(=O)C3CCNCC3)s2)nc1"	0	NA	NA	2	2	"440805419"	NA
"799363"	799363	NA	"COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1"	0	NA	NA	2	2	"440813630"	NA
"799364"	799364	NA	"C[C@]1(CCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6"	0	NA	NA	2	2	"440802655"	NA
"799370"	799370	NA	"Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	NA	NA	2	1	"440802643"	NA
"799648"	799648	NA	"O=C(Nc1ccc(cn1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sccc45"	0	NA	NA	1	1	"440813583"	NA
"799649"	799649	NA	"O=C(Nc1ccc(cn1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sc6CCCc6c45"	0	NA	NA	1	1	"440799816"	NA
"799650"	799650	NA	"O=C(Nc1ccc(cc1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sc6CCCc6c45"	0	NA	NA	2	2	"440805365"	NA
"799653"	799653	NA	"O=C(Nc1ccc(cc1)N2CCNCC2)c3n[nH]cc3Nc4cc(Oc5ccccc5)ncn4"	0	NA	NA	1	1	"440808074"	NA
"799654"	799654	NA	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4cc(OC5CCCC5)ncn4)cc2)CC1"	0	NA	NA	1	1	"440816282"	NA
"799659"	799659	NA	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	NA	NA	2	2	"440816249"	"950769581"
"799674"	799674	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(C(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"440805686"	NA
"799678"	799678	NA	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=O"	0	NA	NA	2	2	"440811222"	NA
"799691"	799691	NA	"Nc1no[n+]([O-])c1c2nnc3C(=O)c4ccccc4c3n2"	0	NA	NA	1	1	"440802899"	NA
"799696"	799696	NA	"CCOC(=O)c1nnn(c1COc2cccc3cccnc23)c4no[n+]([O-])c4c5ccc(OC)cc5"	0	NA	NA	1	1	"440813935"	NA
"799699"	799699	NA	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3)C2N(CC)C1=O"	0	NA	NA	2	2	"440805674"	NA
"799700"	799700	NA	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3)N(C1=O)c4ccccc4"	0	NA	NA	2	2	"440813903"	NA
"799702"	799702	NA	"CN1C2NC(=S)N(\N=C\C=C\c3ccccc3[N+](=O)[O-])C2N(C)C1=O"	0	NA	NA	1	1	"440808413"	NA
"799728"	799728	NA	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)n4cc(nn4)c5cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c5"	0	NA	NA	2	2	"440816596"	NA
"799729"	799729	NA	"CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@]45OC[C@@]6(CC[C@@](C)(C[C@@H]46)C=O)[C@H](O)C[C@@]35C)O[C@@H]7OC[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O"	0	NA	NA	2	1	"440811223"	"23643610"
"799732"	799732	NA	"COc1ccc(cc1)c2noc(C(=O)O)c2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"440805665"	NA
"799756"	799756	NA	"COc1ccc2cc(ccc2c1)c3cnc4nonc4n3"	0	NA	NA	1	1	"440808397"	NA
"799895"	799895	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2ccc(Cl)cc2"	0	NA	NA	1	1	"440813922"	NA
"799899"	799899	NA	"COc1ccc(cc1S(=O)(=O)NC2=C(N)N=C(NC2=O)SC)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	"440802910"	NA
"799908"	799908	"GNE-140"	"Clc1ccccc1SC2C(=O)CC(NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5"	0	"LDHA"	"Clinical trial"	1	1	"-1"	"1802977612"
"799919"	799919	NA	"CN(C)CCOc1ccc2[nH]c3nc4cccnc4c(C)c3c2c1"	0	NA	NA	1	1	"440816600"	NA
"799966"	799966	NA	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)c4ccccc4)cc3)\c5ccc(Cl)cc5"	0	NA	NA	1	1	"440805678"	NA
"799971"	799971	NA	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)c4ccccc4)cc3)\Cc5ccc(Cl)cc5"	0	NA	NA	1	1	"440808406"	NA
"799980"	799980	NA	"COc1ccc(cc1)\C(=C(/c2ccc(OCCN3CCCCCC3)cc2)\c4ccc(OC(=O)C5CCCCC5)cc4)\C"	0	NA	NA	2	1	"440802889"	NA
"800018"	800018	NA	"CC(=O)OCC1OC(S[Au+][C-]2N(Cc3ccccc3)C(=C(N2Cc4ccccc4)c5ccccc5)c6ccccc6)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	1	"440816607"	NA
"800030"	800030	"LXS-196"	"CC1(N)CCN(CC1)c2cccnc2NC(=O)c3nc(cnc3N)c4ncccc4C(F)(F)F"	0	"PK:PRKCA"	"Clinical trial"	1	1	"-1"	"1874276762"
"800038"	800038	NA	"c12c3c4c(cc1NCc1ccc(cc1)CN[C@@H](=O)[C@@H]1[N-]5C(=O)C[N-]6C(=O)CN[Cu+2]56[n]5c(C1)c[nH]c5)c(=O)n(c(=O)c4c(cc3c(=O)n(c2=O)CCCN1CCOCC1)NCc1ccc(cc1)CN[C@@H](=O)[C@@H]1[N-]2C(=O)C[N-]3C(=O)CN[Cu+2]23[n]2c(C1)c[nH]c2)CCCN1CCOCC1"	0	NA	NA	2	2	"441653743"	NA
"800046"	800046	NA	"ClCC(=O)Nc1ccc2c(Nc3cccc(OCC#C)c3)ncnc2c1"	0	NA	NA	1	1	"440811189"	NA
"800049"	800049	NA	"ClCC(=O)Nc1ccc2ncnc(Nc3cccc(OCC#C)c3)c2c1"	0	NA	NA	2	2	"440802877"	NA
"800050"	800050	NA	"ClCC(=O)Nc1cccc2c(Nc3cccc(OCC#C)c3)ncnc12"	0	NA	NA	1	1	"440800111"	NA
"800055"	800055	NA	"C=CC(=O)Nc1ccc(Nc2ncnc3ccc(OCC#C)cc23)cc1"	0	NA	NA	1	1	"440808361"	NA
"800065"	800065	NA	"Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F"	0	NA	NA	1	1	"440816379"	NA
"800066"	800066	NA	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC"	0	NA	NA	1	1	"440802658"	NA
"800070"	800070	NA	"COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC"	0	NA	NA	2	2	"440808149"	NA
"800072"	800072	NA	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	NA	NA	1	1	"440805437"	NA
"800075"	800075	NA	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4"	0	NA	NA	2	2	"440805449"	NA
"800076"	800076	NA	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	NA	NA	1	1	"440810951"	NA
"800077"	800077	NA	"NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc3c(F)cc(Br)cc3F"	0	NA	NA	1	1	"440796937"	NA
"800079"	800079	NA	"CC1(COc2ccc3c(c2)ncn3c4ccc5cccc(N6CCC(N)CC6)c5n4)COC1"	0	NA	NA	1	1	"440805424"	NA
"800080"	800080	"Crizotinib"	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl"	0	NA	NA	1	1	"440816350"	NA
"800081"	800081	NA	"COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO"	0	NA	NA	2	2	"440810974"	NA
"800084"	800084	NA	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	NA	NA	2	2	"440799894"	NA
"800085"	800085	"Dactolisib"	"CN1C(=O)N(c2ccc(cc2)C(C)(C)C#N)c3c1cnc4ccc(cc34)c5cnc6ccccc6c5"	0	NA	NA	2	2	"440805436"	NA
"800086"	800086	NA	"CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5"	0	NA	NA	2	1	"440802668"	NA
"800087"	800087	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	NA	NA	2	2	"440799867"	NA
"800089"	800089	NA	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	NA	NA	1	1	"440799874"	NA
"800091"	800091	"Dinaciclib"	"CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCC[C@H]4CCO"	0	NA	NA	2	2	"440808146"	NA
"800092"	800092	NA	"CN1CCN(CC1)c2ccc3N\C(=C\4/C(=C5C(=CC=CC5=NC4=O)F)N)\Nc3c2"	0	NA	NA	2	2	"440816357"	NA
"800094"	800094	NA	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2"	0	NA	NA	2	2	"440810954"	NA
"800095"	800095	NA	"CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC6CCOCC6)c2"	0	NA	NA	1	1	"440799875"	NA
"800099"	800099	NA	"Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C"	0	NA	NA	2	2	"440810946"	NA
"800101"	800101	NA	"COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6"	0	NA	NA	2	2	"440805442"	NA
"800102"	800102	NA	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(=O)(O)O)c4n3)n2)cc(OC)c1OC"	0	NA	NA	1	1	"440813631"	NA
"800105"	800105	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	NA	NA	2	2	"440796939"	NA
"800106"	800106	NA	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	NA	NA	2	2	"440805446"	NA
"800107"	800107	NA	"CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3"	0	NA	NA	2	2	"440808155"	NA
"800108"	800108	NA	"CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5"	0	NA	NA	1	1	"440810947"	NA
"800109"	800109	NA	"Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3"	0	NA	NA	2	2	"440796933"	NA
"800111"	800111	NA	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	NA	NA	2	2	"440808159"	NA
"800145"	800145	NA	"COc1cccc2cc(ccc12)N(C)c3nc(C)nc4ccsc34"	0	NA	NA	2	2	"440808369"	NA
"800146"	800146	NA	"COc1ccc(cc1)N(C)c2nc(N)nc3sc4CCCCc4c23"	0	NA	NA	2	2	"440805635"	NA
"800287"	800287	NA	"CC1=CC=C(OCCOCCOCCOCCOC2=CC=C(C)N(O)C2=S)C(=S)N1O"	0	NA	NA	2	2	"440813526"	NA
"800288"	800288	NA	"CC1=CC=C(OCCOCCOCCOCCOCCOC2=CC=C(C)N(O)C2=S)C(=S)N1O"	0	NA	NA	2	2	"440813515"	NA
"800341"	800341	NA	"OCCN1C2=C(C(c3cccc(c3)C#N)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440813516"	NA
"800342"	800342	NA	"OCCN1C2=C(C(c3cccc(c3)C#N)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	"440808001"	NA
"800343"	800343	NA	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	"440810786"	NA
"800344"	800344	NA	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440816209"	NA
"800345"	800345	NA	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440807991"	NA
"800346"	800346	NA	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440799719"	NA
"800347"	800347	NA	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(F)c4"	0	NA	NA	2	2	"440796788"	NA
"800348"	800348	NA	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	"440799715"	NA
"800349"	800349	NA	"OCCN1C2=C(C(c3cccc(c3)[N+](=O)[O-])c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	"440807998"	NA
"800350"	800350	NA	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	"440805284"	NA
"800354"	800354	NA	"C[C@]12CC[C@H]3[C@@H](CC4SC(=NC45C\C(=N\NC(=O)N)\CC[C@]35C)N)[C@@H]1CCC2=O"	0	NA	NA	1	1	"440810795"	NA
"800371"	800371	NA	"CC[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440802520"	NA
"800372"	800372	NA	"CC[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(CCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440813520"	NA
"800373"	800373	NA	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440799723"	NA
"800374"	800374	NA	"CC[C@H](Nc1cc(C)nc(N)n1)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440808004"	NA
"800376"	800376	NA	"CC[C@H](Nc1ncnc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440807995"	NA
"800377"	800377	NA	"CC[C@H](Nc1ncnc(N)c1Cl)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"440799722"	NA
"800378"	800378	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	"440813527"	NA
"800379"	800379	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)c5ccccc5"	0	NA	NA	1	1	"440810796"	NA
"800382"	800382	NA	"CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5CC=CC(=O)O5"	0	NA	NA	1	1	"440808448"	"442851505"
"800405"	800405	"umbralisib"	"CC(C)Oc1ccc(cc1F)c2nn([C@@H](C)C3=C(C(=O)c4cc(F)ccc4O3)c5cccc(F)c5)c6ncnc(N)c26"	0	""	"FDA approved"	1	1	"-1"	"1532533677"
"800434"	800434	NA	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)c4csc5C(=O)C=C(Oc45)N6CCNCC6)nc2n1C7CCCC7"	0	NA	NA	2	2	"440816664"	NA
"800436"	800436	NA	"COCCOc1ccc(cc1)c2nc3ccc(cc3[nH]2)c4nc5ccc(cc5[nH]4)N6CCN(C)CC6"	0	NA	NA	1	1	"440802479"	NA
"800437"	800437	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCCC(C)(C)C)cc6"	0	NA	NA	1	1	"440810748"	NA
"800445"	800445	NA	"COc1cc2C(=O)N(CC3CCCCC3)c4c(cnc5[nH]ccc45)c2cc1OC"	0	NA	NA	1	1	"440805250"	NA
"800508"	800508	NA	"C[C@@]12CC\C=C(\Cn3cc(CNC(=O)c4cc5ccccc5[nH]4)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440807948"	NA
"800509"	800509	NA	"C[C@@]12CC\C=C(\Cn3cc(Cc4c[nH]c5ccccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440807954"	NA
"800510"	800510	NA	"C[C@@]12CC\C=C(\Cn3cc(Cn4ccc5ccccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440796753"	NA
"800512"	800512	NA	"C[C@@]12CC\C=C(\Cn3cc(Cn4ccc5cc(Cl)ccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440816174"	NA
"800513"	800513	NA	"COc1ccc2c(c1)c(CC(=O)NCc3cn(C\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)nn3)cn2C(=O)c7ccc(Cl)cc7"	0	NA	NA	1	1	"440796750"	NA
"800522"	800522	"TPX-0005"	"C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23"	0	"PK:ROS1,ALK"	"Clinical trial"	2	2	"-1"	"1802220025"
"800525"	800525	"BAY-1895344"	"C[C@@H]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5ccn[nH]5)c4n2"	0	"PK:ATR"	"Clinical trial"	2	2	"-1"	NA
"800528"	800528	NA	NA	0	NA	NA	1	1	"440797278"	NA
"800552"	800552	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](CC#Cc6ccc(cc6)C(F)(F)F)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	"440807945"	NA
"800577"	800577	NA	"Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)c12"	0	NA	NA	1	1	"440810742"	NA
"800578"	800578	NA	"Cc1cn(cn1)c2cc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc(c2)C(F)(F)F"	0	NA	NA	1	1	"440816178"	NA
"800580"	800580	NA	"CN1CCN(Cc2cc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc(c2)C(F)(F)F)CC1"	0	NA	NA	1	1	"440802481"	NA
"800698"	800698	NA	"CCC(C)CC1NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(CSCC3NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC(=O)C(NC1=O)C(C)OC(=O)C(CO)NC(=O)C(C(O)COC)N(C)C(=O)C(NC(=O)C(CC(C)CC)NC(=O)C(=C)NC(=O)C(NC3=O)C(C)CC)C(C)C)NC(=O)CCC(=O)O"	0	NA	NA	2	2	"440807918"	"191681637"
"800717"	800717	NA	"CCN(CC)S(=O)(=O)c1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	1	1	"440799656"	NA
"800729"	800729	"GDC-0077"	"C[C@H](Nc1ccc2c(OCCn3cc(nc23)N4[C@@H](COC4=O)C(F)F)c1)C(=O)N"	0	""	"Clinical trial"	2	2	"-1"	"2060571028"
"800746"	800746	NA	"Oc1cccc2c1C(=O)C=CC23NN=C(N3c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"440805713"	NA
"800767"	800767	NA	"COc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2ccccc2\C=C\c3cc[n+]([O-])cc3"	0	NA	NA	2	2	"440808135"	NA
"800769"	800769	NA	"Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440799881"	NA
"800773"	800773	NA	"Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	1	"440799873"	NA
"800775"	800775	NA	"COc1cc2ncnc3Nc4cc(Br)ccc4CN(C)CCCCCOc1cc23"	0	NA	NA	1	1	"440810956"	NA
"800777"	800777	NA	"COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	1	1	"440816358"	NA
"800778"	800778	NA	"O=C(N1CCNCC1)c2ccc(\C=C\c3n[nH]c4ccccc34)cc2"	0	NA	NA	1	1	"440799886"	NA
"800779"	800779	NA	"O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4"	0	NA	NA	2	2	"440813653"	NA
"800780"	800780	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	1	1	"440813637"	NA
"800782"	800782	NA	"C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35"	0	NA	NA	2	2	"440796960"	NA
"800784"	800784	NA	"C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26"	0	NA	NA	1	1	"440813640"	NA
"800789"	800789	NA	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1"	0	NA	NA	1	1	"440805421"	NA
"800791"	800791	NA	"CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	NA	NA	2	2	"440799876"	NA
"800792"	800792	NA	"CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)CC5)ncc3CC(C)(C)c12"	0	NA	NA	2	2	"440813655"	NA
"800793"	800793	NA	"CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2"	0	NA	NA	2	2	"440816356"	NA
"800794"	800794	NA	"NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	0	NA	NA	2	2	"440810948"	NA
"800800"	800800	NA	"O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	NA	NA	1	1	"440796927"	NA
"800803"	800803	NA	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	NA	NA	2	2	"440808137"	NA
"800804"	800804	"Nilotinib"	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F"	0	NA	NA	1	1	"440808118"	NA
"800806"	800806	NA	"CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(CCO)c5c4n3)C(=O)N)c2"	0	NA	NA	2	2	"440816347"	NA
"800807"	800807	NA	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3"	0	NA	NA	2	2	"440810944"	NA
"800810"	800810	NA	"COc1cccc2cc([nH]c12)c3nc([C@@H]4CC[C@H](CC4)C(=O)O)n5ncnc(N)c35"	0	NA	NA	2	2	"440796925"	NA
"800812"	800812	NA	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34"	0	NA	NA	1	1	"440816354"	NA
"800813"	800813	NA	"CN1CC[C@H]([C@@H]1CO)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	NA	NA	2	1	"440810961"	NA
"800814"	800814	NA	"C(CN1CCCC1)Oc2ccc3Nc4nccc(n4)c5cccc(COC\C=C/COCc2c3)c5"	0	NA	NA	2	1	"440808131"	NA
"800817"	800817	NA	"Cn1cc(c2ncnc3ccc(cc23)c4cnc(Cl)c(NS(=O)(=O)C)c4)c5ccccc15"	0	NA	NA	2	2	"440799685"	NA
"800818"	800818	NA	"Cc1cc(Oc2ccccc2)ccc1Nc3ncnc4ccc(cc34)c5cnc(Cl)c(NS(=O)(=O)C)c5"	0	NA	NA	1	1	"440816175"	NA
"800839"	800839	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	NA	NA	1	1	"440802653"	NA
"800840"	800840	NA	"OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F"	0	NA	NA	2	2	"440808164"	NA
"800841"	800841	"Pelitinib"	"CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	NA	NA	2	2	"440805445"	NA
"800842"	800842	"Perifosine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1"	0	NA	NA	1	1	"440808124"	NA
"800844"	800844	NA	"Cc1ccc(cc1)n2nc(cc2NC(=O)NCc3cc(F)ccc3Oc4ccc5c(cnn5CCO)c4)C(C)(C)C"	0	NA	NA	1	1	"440808145"	NA
"800846"	800846	NA	"COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O"	0	NA	NA	2	2	"440796942"	NA
"800847"	800847	NA	"CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5"	0	NA	NA	2	2	"440796946"	NA
"800848"	800848	NA	"Cn1cc(cn1)c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc5C(=O)NN=Cc2c35"	0	NA	NA	2	2	"440802664"	NA
"800849"	800849	NA	"CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C"	0	NA	NA	1	1	"440808153"	NA
"800851"	800851	NA	"CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C"	0	NA	NA	1	1	"440810933"	NA
"800852"	800852	NA	"CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	NA	NA	2	2	"440805447"	NA
"800853"	800853	NA	"COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c4cccc(NC(=O)C(C)(C)N)c4)c1"	0	NA	NA	1	1	"440805434"	NA
"800854"	800854	NA	"OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F"	0	NA	NA	2	2	"440796958"	NA
"800855"	800855	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440816375"	NA
"800856"	800856	NA	"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C"	0	NA	NA	2	2	"440816353"	NA
"800857"	800857	NA	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	NA	NA	1	1	"440816365"	NA
"800858"	800858	NA	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC"	0	NA	NA	1	1	"440805429"	NA
"800859"	800859	NA	"COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	NA	NA	2	2	"440816381"	NA
"800860"	800860	NA	"Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1"	0	NA	NA	1	1	"440799891"	NA
"800863"	800863	NA	"CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1"	0	NA	NA	2	2	"440805427"	NA
"800864"	800864	NA	"COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(C[C@H](O)CO)CC3"	0	NA	NA	2	2	"440802652"	NA
"800866"	800866	NA	"COCCN1CCN(Cc2ccc(cc2)c3n[nH]c4c5cccc(NC(=O)NN6CCOCC6)c5C(=O)c34)CC1"	0	NA	NA	2	2	"440796924"	NA
"800868"	800868	NA	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1"	0	NA	NA	2	2	"440805428"	NA
"800870"	800870	NA	"OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc3ccc(I)cc3F"	0	NA	NA	2	2	"440808133"	NA
"800871"	800871	NA	"CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F"	0	NA	NA	2	2	"440802645"	NA
"800872"	800872	NA	"COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C"	0	NA	NA	1	1	"440802669"	NA
"800875"	800875	NA	"CC(C)n1nc(c2ccc3oc(C)nc3c2)c4c(N)ncnc14"	0	NA	NA	2	2	"440799893"	NA
"800876"	800876	NA	"CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC"	0	NA	NA	2	2	"440802665"	NA
"800878"	800878	NA	"CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1"	0	NA	NA	1	1	"440816371"	NA
"800879"	800879	NA	"CN1C\C=C/CCOc2cccc(c2)c3ccnc(Nc4cccc(C1)c4)n3"	0	NA	NA	2	1	"440813656"	NA
"800882"	800882	"Selumetinib"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO"	0	NA	NA	2	2	"440796940"	NA
"800883"	800883	NA	"CN1CCC(CNc2ccc3ncc(c4cccc(OC(F)(F)F)c4)n3n2)CC1"	0	NA	NA	1	1	"440810952"	NA
"800886"	800886	NA	"Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1"	0	NA	NA	1	1	"440816348"	NA
"800888"	800888	"CFI-402257"	"Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c(NC[C@@H]5C[C@](C)(O)C5)cc(Oc6cccnc6)nc34"	0	"IDUA|PK:TTK"	"Clinical trial"	2	2	"-1"	"1610759222"
"800893"	800893	"milademetan"	"CC1(C)CCC2(CC1)N[C@H]([C@H](c3ccnc(Cl)c3F)[C@]24C(=O)Nc5cc(Cl)ccc45)C(=O)N[C@@H]6CC[C@H](OC6)C(=O)N"	0	"MDM2"	"Clinical trial"	2	2	"-1"	"1398568472"
"800924"	800924	NA	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(cc3)N(C)C4COC4"	0	NA	NA	2	2	"440800178"	NA
"800925"	800925	NA	"CN(C)CCOC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1"	0	NA	NA	1	1	"440811274"	NA
"800928"	800928	NA	"Brc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	"440799750"	NA
"800930"	800930	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(cc3)C(F)(F)F)cc2"	0	NA	NA	1	1	"440805321"	NA
"800932"	800932	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(Br)cc3)cc2"	0	NA	NA	1	1	"440796823"	NA
"800933"	800933	NA	"COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)\C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(=O)C)[C@@]12C"	0	NA	NA	2	2	"440799866"	NA
"800936"	800936	NA	"Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN4CCOCC4"	0	NA	NA	1	1	"440796955"	NA
"800937"	800937	"Sunitinib"	"CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C"	0	NA	NA	1	1	"440816352"	NA
"800938"	800938	NA	"CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12"	0	NA	NA	1	1	"440796954"	NA
"800939"	800939	NA	"Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1"	0	NA	NA	1	1	"440816349"	NA
"800940"	800940	NA	"CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[C@@H](O)CO)C3=O)F"	0	NA	NA	2	2	"440808143"	NA
"800946"	800946	NA	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]4C[C@@H]5CN(C)C[C@@H]5C4"	0	NA	NA	2	2	"440805425"	NA
"800948"	800948	NA	"Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)c5cc(OC(=O)c6ccccc6)ccc5Cl"	0	NA	NA	1	1	"440813629"	NA
"800949"	800949	NA	"Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)c5cc(O)ccc5Cl"	0	NA	NA	2	2	"440816355"	NA
"800951"	800951	NA	"O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56"	0	NA	NA	2	2	"440799889"	NA
"800952"	800952	NA	"COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"	0	NA	NA	1	1	"440810962"	NA
"800954"	800954	NA	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C/C=C(\C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO"	0	NA	NA	2	2	"440802659"	NA
"800955"	800955	"Tozasertib"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2"	0	NA	NA	1	1	"440808125"	NA
"800956"	800956	NA	"CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C"	0	NA	NA	2	2	"440808161"	NA
"800958"	800958	NA	"CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@H](O)NC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	2	2	"440805444"	NA
"800959"	800959	NA	"CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[C@H](CO)c3cccc(Cl)c3"	0	NA	NA	2	2	"440810958"	NA
"800960"	800960	NA	"Cn1ncc(Cl)c1c2cc(oc2Cl)C(=O)N[C@H](CN)Cc3ccc(F)c(F)c3"	0	NA	NA	2	2	"440810938"	NA
"800961"	800961	"Vandetanib"	"COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4"	0	NA	NA	1	1	"440808158"	NA
"800962"	800962	NA	"C[C@@H]1COC(=N1)Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2"	0	NA	NA	1	1	"440799868"	NA
"800964"	800964	"Vemurafenib"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F"	0	NA	NA	2	2	"440802671"	NA
"800965"	800965	NA	"CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)ncc2N(C)C1=O"	0	NA	NA	2	2	"440796953"	NA
"800970"	800970	NA	"CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C4CC4)cc(n2)N5CCN(C)CC5)on1"	0	NA	NA	1	1	"440796962"	NA
"800977"	800977	NA	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N(C)C"	0	NA	NA	2	2	"440810963"	NA
"800979"	800979	NA	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](=N)(=O)C"	0	NA	NA	1	1	"440816351"	NA
"800980"	800980	NA	"CN1CCN(CC1)c2ccc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c5sccc5n3)cc2"	0	NA	NA	1	1	"440808151"	NA
"800982"	800982	NA	"CO[C@@H]1CC[C@H](CC1)N2C(=O)CNc3ncc(nc23)c4ccc(nc4)C(C)(C)O"	0	NA	NA	2	2	"440802667"	NA
"800983"	800983	NA	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc4C[C@H](CCCc4c3OC)N5CCN(CCO)CC5)ncc2Cl"	0	NA	NA	1	1	"440816366"	NA
"800984"	800984	NA	"CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4"	0	NA	NA	2	2	"440810969"	NA
"800985"	800985	NA	"CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N"	0	NA	NA	2	2	"440813645"	NA
"800986"	800986	NA	"CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4"	0	NA	NA	1	1	"440796952"	NA
"800987"	800987	NA	"CCNC(=O)Nc1ccc(cc1)c2nc3CN(CCc3c(n2)N4CCOC[C@@H]4C)C5COC5"	0	NA	NA	2	2	"440816372"	NA
"800991"	800991	NA	"CC(C)n1c(C)nc2c(nc(nc12)N3CCOCC3)c4cnc(N)nc4"	0	NA	NA	2	2	"440796947"	NA
"800993"	800993	NA	"FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5"	0	NA	NA	2	2	"440796938"	NA
"800994"	800994	NA	"CO[C@@H](C)CN1C(=O)N(C)c2cnc3ccc(cc3c12)c4cncc(c4)C(C)(C)O"	0	NA	NA	2	1	"440805439"	NA
"800998"	800998	NA	"OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F"	0	NA	NA	2	2	"440805433"	NA
"801002"	801002	NA	"C[C@H](NC(=O)c1c(N)nn2cccnc12)C3=Cc4cccc(C#Cc5cnn(C)c5)c4C(=O)N3c6ccccc6"	0	NA	NA	1	1	"440799878"	NA
"801007"	801007	NA	"F[C@@H]1CCN(C1)S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(cc34)c5cnc(nc5)C6CC6)c2F"	0	NA	NA	2	2	"440802654"	NA
"801010"	801010	NA	"CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C"	0	NA	NA	2	2	"440805422"	NA
"801011"	801011	NA	"Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl"	0	NA	NA	2	2	"440802637"	NA
"801012"	801012	NA	"O=C1NC(=O)\C(=C\c2ccc3nccc(c4ccncc4)c3c2)\S1"	0	NA	NA	2	2	"440810937"	NA
"801013"	801013	NA	"CN(C)C[C@@H]1CC[C@H](CC1)Nc2c3NC(=C4C=C(Cl)C(=O)C(=C4)Cl)C=Cc3ncc2C(=O)C"	0	NA	NA	2	1	"440816360"	NA
"801014"	801014	NA	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2"	0	NA	NA	2	2	"440802640"	NA
"801017"	801017	NA	"Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)s2"	0	NA	NA	2	2	"440799877"	NA
"801018"	801018	NA	"Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)s2"	0	NA	NA	2	2	"440802650"	NA
"801078"	801078	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C\C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440799751"	NA
"801079"	801079	NA	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)OC\C\6=C\CC[C@@]7(C)O[C@H]7[C@H]8OC(=O)C(=C)[C@@H]8CC6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	"440808043"	NA
"801082"	801082	"BLU-285"	"Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)[C@@](C)(N)c6ccc(F)cc6"	0	""	"FDA approved"	1	1	"-1"	"1703793343"
"801089"	801089	"PRN-1371"	"CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1802929436"
"801125"	801125	NA	"CC1(C)C(N)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(CO)CC[C@@]34C)C(=C)CNCCc6ccc(O)cc6"	0	NA	NA	1	1	"440802966"	NA
"801128"	801128	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	"440816673"	NA
"801133"	801133	NA	"COc1cc(F)c(\C=C\c2cc(\C=C\c3cc(OC)c(OC)cc3F)n(n2)c4cc(F)cc(F)c4)cc1OC"	0	NA	NA	1	1	"440797297"	NA
"801199"	801199	NA	"[Cl-][Pt+2]([Cl-])(N)(N)(OC(=O)CCCCCCCCCCC)OC(=O)CCC(=O)O"	0	NA	NA	1	1	"440799820"	NA
"801230"	801230	"BMS-986158"	"Cc1nnn(C)c1c2cnc3c4ccc(cc4n([C@@H](C5CCOCC5)c6ccccc6)c3c2)C(C)(C)O"	0	""	"Clinical trial"	2	2	"-1"	"1800340402"
"801366"	801366	NA	"CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1Cl"	0	NA	NA	1	1	"440813995"	NA
"801407"	801407	NA	"CCN(CC)CCOc1ccc(Nc2ncc3C=C(C(=O)N(CCOC)c3n2)c4c(Cl)cccc4Cl)cc1"	0	NA	NA	2	2	"440799829"	NA
"801409"	801409	NA	"CCN(CC)CCOc1ccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4ccc(O)cc4)cc1"	0	NA	NA	2	2	"440816291"	NA
"801410"	801410	NA	"CS(=O)(=O)c1cccc(Nc2ncc3cc(ccc3n2)c4ccccc4Cl)c1"	0	NA	NA	1	1	"440810898"	NA
"801420"	801420	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440796877"	NA
"801421"	801421	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(C)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440808081"	NA
"801422"	801422	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440802605"	NA
"801428"	801428	NA	"COC(=O)C1=C(C2OC1(C(Cc3ccccc3)Oc4ccccc4)C5OC25)C(=O)Nc6cccnc6"	0	NA	NA	1	1	"440813586"	NA
"801430"	801430	NA	"Cc1ccc(\C=C(/C#N)\n2nnc3cc(F)c(F)cc23)cc1"	0	NA	NA	1	1	"440816283"	NA
"801461"	801461	NA	"ClCC(=O)Nc1ccc2c(ncnc2c1)c3cccc(OCC#C)c3"	0	NA	NA	2	2	"440808094"	NA
"801463"	801463	NA	"ClCC(=O)Nc1ccc2nc(ncc2c1)c3cccc(OCC#C)c3"	0	NA	NA	1	1	"440796906"	NA
"801465"	801465	NA	"ClCC(=O)N1CCC(C1)n2cnc3c(Nc4cccc(OCC#C)c4)ncnc23"	0	NA	NA	1	1	"440805387"	NA
"801519"	801519	NA	"Cn1cc(c2nonc2c3cn(C)c4ccccc34)c5ccccc15"	0	NA	NA	2	2	"440808105"	NA
"801544"	801544	NA	"Cn1cc(c2nonc2c3cn(C)c4ccc(Br)cc34)c5ccccc15"	0	NA	NA	1	1	"440810905"	NA
"801548"	801548	NA	"Cn1cc(c2nonc2c3c[nH]c4ccccc34)c5ccccc15"	0	NA	NA	2	1	"440799835"	NA
"801586"	801586	NA	"Cn1cc(c2nc(cs2)c3c[nH]c4ccncc34)c5ccccc15"	0	NA	NA	1	1	"440808093"	NA
"801593"	801593	NA	"Cn1cc(c2csc(n2)c3c[nH]c4ccc(Br)cc34)c5cnccc15"	0	NA	NA	1	1	"440802613"	NA
"801605"	801605	NA	"c1ccc2c(c[nH]c2c1)c3nn4cc(nc4s3)c5cccs5"	0	NA	NA	1	1	"440796894"	NA
"801609"	801609	NA	"Cn1cc(c2nn3cc(nc3s2)c4cccs4)c5cc(F)ccc15"	0	NA	NA	1	1	"440808099"	NA
"801656"	801656	NA	"C[C@@H]1C\C=C/C(=O)O[C@H](\C=C\C#C\C=C\C(C)(C)[C@@H](O)c2cccc(O)c2Br)[C@@H](C)\C=C\[C@H](C)C[C@@H](C1)OC(=O)N"	0	NA	NA	2	2	"440816314"	NA
"801657"	801657	NA	"CO\N=C\C=C/C(=O)N\C=C\C[C@@H]1OC(=O)c2c(O)cccc2\C=C\C=C/[C@@H](O)\C=C\1"	0	NA	NA	2	2	"440813608"	NA
"801661"	801661	"TAK-931"	"Cc1n[nH]cc1c2cc3N=C(NC(=O)c3s2)C4CC5CCN4CC5"	0	"PK:CDC7"	"Clinical trial"	1	1	"-1"	"1330782767"
"801686"	801686	NA	"CC1=C[C@@H]2[C@@H]([C@@H](c3cc(O)c(O)c4Oc5cc(O)cc(O)c5C(=O)c34)c6c(O)c(O)c7Oc8cc(O)cc(O)c8C(=O)c7c26)C(C)(C)C1"	0	NA	NA	1	1	"440802631"	NA
"801799"	801799	NA	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	"440813955"	NA
"801800"	801800	NA	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	"440802931"	NA
"801805"	801805	NA	"C[C@@]12CC\C=C(\COC(=O)CCSCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440800152"	NA
"801806"	801806	NA	"C[C@@]12CC\C=C(\COC(=O)CSCSCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440816623"	NA
"801809"	801809	NA	"C[C@@]12CC\C=C(\COC(=O)c3ccc(s3)C(=O)O)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	"440797256"	NA
"801832"	801832	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440811173"	NA
"801833"	801833	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440808352"	NA
"801838"	801838	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C\C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440811176"	NA
"801839"	801839	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCCl)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"440813864"	NA
"801845"	801845	NA	"NC1=NC(=O)N(C=N1)[C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2F"	0	NA	NA	2	2	"459278582"	NA
"801882"	801882	NA	"COc1ccc(\C=N\NC(=O)Cn2c(nc3cc(Cl)ccc23)c4ccc(cc4)S(=O)(=O)C)cc1"	0	NA	NA	1	1	"440797259"	NA
"801886"	801886	NA	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(F)cc3c2\C=N\NC(=S)N"	0	NA	NA	1	1	"440808430"	NA
"801891"	801891	NA	"CS(=O)(=O)c1ccc(N\N=C\c2c([nH]c3ccc(F)cc23)c4ccc(cc4)S(=O)(=O)C)cc1"	0	NA	NA	1	1	"440800170"	NA
"802004"	802004	NA	"NC1=NC(=O)N(C=C1)[C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2F"	0	NA	NA	2	2	"459276951"	NA
"802076"	802076	NA	"Cn1c2ccc(Br)cc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6[nH]c5c13"	0	NA	NA	2	2	"440813861"	NA
"802082"	802082	NA	"Cc1c2cccnc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	1	1	"440813876"	NA
"802100"	802100	"ON-123300"	"CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C#N)C(=O)N(C5CCCC5)c4n3)cc2"	0	"PK:CDK,RET"	"Clinical trial"	2	2	"-1"	"1357470291"
"802113"	802113	NA	"CC(C)n1nc(C#Cc2cccc(O)c2)c3c(N)ncnc13"	0	NA	NA	2	2	"440813871"	NA
"802114"	802114	NA	"CC(C)n1nc(C#Cc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)c4c(N)ncnc14"	0	NA	NA	1	1	"440800103"	NA
"802117"	802117	NA	"CCn1nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c5c(N)ncnc15"	0	NA	NA	1	1	"440808353"	NA
"802120"	802120	NA	"COc1cc(OC)c(C)c(Cc2ncccc2c3cc(Nc4c(C)cccc4NC(=O)C=C)ncn3)c1C"	0	NA	NA	1	1	"440800105"	NA
"802122"	802122	NA	"COc1ccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)cc1"	0	NA	NA	1	1	"440808348"	NA
"802181"	802181	NA	"CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)C1CCCN(O)C1=O"	0	NA	NA	1	1	"440800228"	NA
"802184"	802184	NA	"C[C@@]12CC\C=C(\Cn3cc(CNCCc4c[nH]c5ccc(Cl)cc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	"440816702"	NA
"802251"	802251	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\C3CCCCC3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	"440799913"	NA
"802252"	802252	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C(/C)\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	"440802678"	NA
"802253"	802253	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)c3ccc4ccccc4c3)[C@@]5(C[C@@H](OC(=O)CO)[C@@]2(C)O5)C6CCCCC6"	0	NA	NA	1	1	"440813665"	NA
"802254"	802254	NA	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)c3ccc4ccccc4c3C)[C@@]5(C[C@@H](OC(=O)CO)[C@@]2(C)O5)C6CCCCC6"	0	NA	NA	1	1	"440796979"	NA
"802367"	802367	NA	"Clc1ccc2c(NCCCN3CCN(CC3)c4nc(nc5ccccc45)n6ccnc6)ccnc2c1"	0	NA	NA	2	2	"440802682"	NA
"802450"	802450	"BAY-1251152"	"COc1cc(F)ccc1c2cc(Nc3cc(CS(=N)(=O)C)ccn3)ncc2F"	0	""	"Clinical trial"	2	2	"-1"	"1610358569"
"802536"	802536	NA	"C\C=C(\C)/C(=O)OC1C=C(CO)C(=O)C(OC(=O)\C(=C/C)\C)C1C(C)C"	0	NA	NA	2	1	"440807968"	NA
"802537"	802537	NA	"C\C=C(\C)/C(=O)OC1C=C(CO)C(=O)C(OC(=O)C(C)(O)C(C)Cl)C1C(C)C"	0	NA	NA	1	1	"440807977"	NA
"802538"	802538	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440805266"	NA
"802539"	802539	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440816190"	NA
"802540"	802540	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440807959"	NA
"802541"	802541	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440810756"	NA
"802542"	802542	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cncc5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440816187"	NA
"802544"	802544	NA	"COc1ccc2c(N)ncc(C#Cc3cc(cnc3C)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)c2c1"	0	NA	NA	2	2	"440813498"	NA
"802545"	802545	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440810772"	NA
"802546"	802546	NA	"COc1ccc2cnc(N)c(C#Cc3cc(cnc3C)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)c2c1"	0	NA	NA	2	2	"440816192"	NA
"802547"	802547	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(NC5CC5)c6ncccc46)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"440810770"	NA
"802623"	802623	NA	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)NCC[N+]2(C)CCOCC2"	0	NA	NA	1	1	"440810810"	NA
"802642"	802642	NA	"COc1ccc(NC(=O)c2cccc(c2)C3CCc4c(O3)cc(OC)c(OC)c4OC)cc1"	0	NA	NA	1	1	"440810812"	NA
"802661"	802661	NA	"NC1=C(C#N)C(c2ccc3ccccc3c2O1)c4cc5ccccc5n6nnnc46"	0	NA	NA	1	1	"440805295"	NA
"802743"	802743	NA	"Cc1ccc(cc1)S(=O)(=O)c2nc(oc2S(=O)C)c3ccccc3"	0	NA	NA	1	1	"440802513"	NA
"802752"	802752	NA	"ClC(=C1NC(=O)N/C/1=N\S(=O)(=O)N2CCCCC2)Cl"	0	NA	NA	1	1	"440799698"	NA
"802770"	802770	NA	"Cc1ccc(cc1)c2nc(N3CCNCC3)c4oc(nc4n2)c5ccccc5"	0	NA	NA	1	1	"440805260"	NA
"802772"	802772	NA	"Cc1ccc(cc1)c2oc3c(nc(nc3n2)c4ccc(C)cc4)N5CCNCC5"	0	NA	NA	2	2	"440816186"	NA
"802773"	802773	NA	"Cc1ccc(cc1)c2oc3c(nc(nc3n2)c4ccc(C)cc4)N5CCCNCC5"	0	NA	NA	1	1	"440813497"	NA
"802778"	802778	NA	"COC(=O)c1nc(oc1S(=O)(=O)Cc2ccccc2)c3ccccc3"	0	NA	NA	1	1	"440802496"	NA
"802787"	802787	NA	"Cc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)n3nc(C)cc3N"	0	NA	NA	1	1	"440807961"	NA
"802820"	802820	"FT-1518"	"CCC(CC)n1cnc2c(nc(nc12)N3CC4CCC(C3)O4)c5cnc(N)cn5"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1313026582"
"802821"	802821	"PQR-530"	"C[C@H]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4CCOCC4"	0	"PK:MTOR"	"Clinical trial"	2	2	"-1"	"1927857611"
"802822"	802822	"nedisertib"	"COc1ccc(nn1)[C@@H](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5"	0	""	"Clinical trial"	1	1	"-1"	"1637542336"
"802913"	802913	NA	"CCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC(C)C)CC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O"	0	NA	NA	1	1	"440799795"	"1914929013"
"803051"	803051	NA	"COc1ccc(cc1)c2oc(c(n2)S(=O)(=O)c3ccccc3)S(=O)CC(=O)N4CCC(C)CC4"	0	NA	NA	1	1	"440797122"	NA
"803052"	803052	NA	"CCOC(=O)Cn1c(C)c(\C=N\NC(=O)c2oc3ccc4ccccc4c3c2)c5ccccc15"	0	NA	NA	2	2	"440808307"	NA
"803074"	803074	NA	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O"	0	NA	NA	1	1	"440811132"	"2392394"
"803200"	803200	NA	"CCN1C2N=C(SC)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=O"	0	NA	NA	2	2	"440800036"	NA
"803205"	803205	NA	"CCN1C2NN=C3S\C(=C/c4ccc(Br)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"440813809"	NA
"803209"	803209	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC=C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"440805600"	NA
"803211"	803211	NA	"CN1C2NN=C3S\C(=C/c4ccc(cc4)C(F)(F)F)\C(=O)N3C2N(C)C1=O"	0	NA	NA	1	1	"440808305"	NA
"803212"	803212	NA	"CCN1C2NN=C3S\C(=C/c4occc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"440811136"	NA
"803243"	803243	NA	"COc1cc(OC)cc(c1)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	1	1	"440800040"	NA
"803248"	803248	"MTX-211"	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	"PK:EGFR"	"Clinical trial"	2	2	"-1"	"1952236053"
"803320"	803320	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C(=O)Nc5nc(cs5)c6ccc(Br)cc6)c(F)cc3C1=O"	0	NA	NA	2	1	"440813824"	NA
"803330"	803330	NA	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	"440805593"	NA
"803347"	803347	NA	"Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2cc1C(=O)c4ccccc4"	0	NA	NA	1	1	"440800039"	NA
"803349"	803349	NA	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(=O)c4ccccc4"	0	NA	NA	2	2	"440797145"	NA
"803357"	803357	NA	"CCc1ccc(cc1)C(=O)\C=C\C23C4C(C(c5ccccc25)c6ccccc36)C(=O)NC4=O"	0	NA	NA	1	1	"440813881"	NA
"803358"	803358	NA	"Fc1ccc(cc1)C(=O)\C=C\C23C4C(C(c5ccccc25)c6ccccc36)C(=O)NC4=O"	0	NA	NA	1	1	"440802863"	NA
"803364"	803364	NA	"COc1ccc(\C=C(\C(=O)n2cnnn2)/c3cc(OC)c(OC)c(OC)c3)cc1"	0	NA	NA	1	1	"440802867"	NA
"803405"	803405	NA	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	"440816569"	NA
"803409"	803409	"BAY-1816032"	"COc1cnccc1Nc2nc(ncc2OC)c3nn(Cc4c(F)cc(OCCO)cc4F)c5ccccc35"	0	"PK:BUB1"	"Clinical trial"	1	1	"-1"	"1891087618"
"803410"	803410	"LY-3214996"	"Cn1nccc1Nc2nccc(n2)c3cc4C(=O)N(CCN5CCOCC5)C(C)(C)c4s3"	0	"PK:ERK"	"Clinical trial"	2	2	"-1"	"1951483296"
"803415"	803415	NA	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2ccc(F)c(OC)c2"	0	NA	NA	1	1	"440808045"	NA
"803416"	803416	NA	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2ccc(OC)c(F)c2"	0	NA	NA	2	2	"440802552"	NA
"803419"	803419	NA	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2cccs2"	0	NA	NA	1	1	"440808047"	NA
"803423"	803423	NA	"CCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2cc3ccccc3s2"	0	NA	NA	1	1	"440802546"	NA
"803434"	803434	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccccc2)\c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	"440799762"	NA
"803448"	803448	NA	"Clc1ccc(cc1)N2COOC3(OOC2)[C@@H]4C[C@@H]5C[C@@H](C[C@@H]3C5)C4"	0	NA	NA	2	2	"440810846"	NA
"803461"	803461	NA	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(CCCCCC(=O)NO)c3C(=O)N2c4ccccc4"	0	NA	NA	1	1	"440805289"	NA
"803563"	803563	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613648"	NA
"803564"	803564	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441612639"	NA
"803565"	803565	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441612641"	NA
"803566"	803566	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ccncc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441614032"	NA
"803567"	803567	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5cnccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613050"	NA
"803572"	803572	NA	"Fc1cc2[nH]ncc2c3c4CCC(Cc4c(nc13)c5c[nH]nc5C(F)(F)F)C#N"	0	NA	NA	1	1	"441613646"	NA
"803573"	803573	NA	"ClCC(=O)N1CCC(C1)n2cnc3cnc(Nc4cccc(OCC#C)c4)nc23"	0	NA	NA	1	1	"440805630"	NA
"803577"	803577	NA	"C[C@H](Cl)C(=O)Nc1ccc2c(Nc3cccc(OC#C)c3)ncnc2c1"	0	NA	NA	1	1	"440808357"	NA
"803578"	803578	NA	"ClCC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(OC#C)c3)c2c1"	0	NA	NA	1	1	"440797200"	NA
"803580"	803580	NA	"ClCC(=O)Nc1cnc2ncnc(Nc3cccc(OC#C)c3)c2c1"	0	NA	NA	2	1	"440802861"	NA
"803582"	803582	NA	"C[C@@H](Cl)C(=O)Nc1ccc2c(Nc3cccc(OC#C)c3)ncnc2c1"	0	NA	NA	1	1	"440811183"	NA
"803593"	803593	NA	"CNC(=O)c1ccccc1Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2Br"	0	NA	NA	2	2	"441613647"	NA
"803679"	803679	NA	NA	0	NA	NA	1	1	"441612654"	NA
"803712"	803712	NA	"CCS(=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24"	0	NA	NA	2	2	"440800045"	NA
"803723"	803723	NA	"Nc1c(C#N)c(nn1C2=CC(=O)Nc3ccc(Br)cc23)C#N"	0	NA	NA	1	1	"441613975"	NA
"803724"	803724	NA	"[S-]1C(=N[N]2=C(C(=[N]3N=C([S-][Cu+2]123)OCC)C)C)NC"	0	NA	NA	2	1	"441653648"	NA
"803725"	803725	NA	"[S-]1C(=N[N]2=C(C(=[N]3N=C([S-][Cu+2]123)OCC)C)c1ccccc1)NC"	0	NA	NA	2	2	"441653649"	NA
"803769"	803769	NA	"NC1=C(C#N)C(c2ccccc2)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	"441612992"	NA
"803776"	803776	NA	"COc1ccc(\C=N\C2=C(C#N)C(c3ccccc3)c4ccc5ccccc5c4O2)cc1"	0	NA	NA	2	2	"441613781"	NA
"803778"	803778	NA	"N#CC1=C(Oc2c(ccc3ccccc23)C1c4ccccc4)\N=C\c5ccccc5"	0	NA	NA	2	2	"441613585"	NA
"803789"	803789	"AZD-1390"	"CC(C)N1C(=O)N(C)c2cnc3cc(F)c(cc3c12)c4ccc(OCCCN5CCCCC5)nc4"	0	"PK:ATM"	"Clinical trial"	1	1	"-1"	"2089288037"
"803874"	803874	NA	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)c4csc5C(=S)C=C(Oc45)N6CCOCC6)nc2n1C7CCCC7"	0	NA	NA	2	2	"441613966"	NA
"803877"	803877	NA	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)c3ccccc3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	3	3	"441613364"	NA
"803878"	803878	NA	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)C)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	3	3	"441613573"	NA
"803879"	803879	NA	"CCCCCC(=O)OCC(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4)C(C)C"	0	NA	NA	3	3	"441613179"	NA
"803880"	803880	NA	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)C=C(C)C)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	3	3	"441612780"	NA
"803905"	803905	NA	"CN(C)c1ccc(\C=C(/C#N)\c2cc3ccccc3[nH]2)cc1"	0	NA	NA	1	1	"441613839"	NA
"803920"	803920	NA	"[2H]C([2H])([2H])Oc1c(OC)cc(\C=C\C(=C\C(=O)\C=C\c2cc(OC)c(OC([2H])([2H])[2H])c(OC)c2)\OB(F)F)cc1OC"	0	NA	NA	1	1	"441614037"	NA
"803934"	803934	NA	"CCCNc1nc2ccccc2c3C(=O)c4cc(Cl)ccc4S(=O)(=O)c13"	0	NA	NA	1	1	"441613249"	NA
"803939"	803939	NA	"OCCNCCCNc1nc2ccccc2c3C(=O)c4cc(Cl)ccc4S(=O)(=O)c13"	0	NA	NA	1	1	"441613444"	NA
"804029"	804029	NA	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	1	1	"441612645"	NA
"804031"	804031	NA	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	1	1	"441612649"	NA
"804032"	804032	NA	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	"441613658"	NA
"804035"	804035	NA	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(CNC(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)cc3)C2=O"	0	NA	NA	1	1	"441612856"	NA
"804041"	804041	"AMG-176"	"CO[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]6CC[C@@H]16)c3c2"	0	""	"Clinical trial"	1	1	"-1"	"1883727341"
"804053"	804053	NA	"OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)n3c4ccccc4c5ccccc35"	0	NA	NA	1	1	"441613727"	NA
"804067"	804067	NA	"OC1=C2C(=O)\C(=C\c3ccccc3)\COC2(O)C=CC1=O"	0	NA	NA	1	1	"441613447"	NA
"804131"	804131	NA	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)\C=C\c3ccccc3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	"441613311"	NA
"804141"	804141	NA	"CN1CCN(Cc2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c6CCCCc36)cc2C(F)(F)F)CC1"	0	NA	NA	2	1	"441612930"	NA
"804142"	804142	NA	"FC(F)(F)c1n[nH]cc1c2nc3c(cc4[nH]ncc4c3c5CCCCc25)N6CCCCC6"	0	NA	NA	2	1	"441614099"	NA
"804144"	804144	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5cc(F)ccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613308"	NA
"804145"	804145	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441614096"	NA
"804146"	804146	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613517"	NA
"804149"	804149	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5c(F)cccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613906"	NA
"804154"	804154	NA	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(CN(C)c4ncc(cn4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	2	2	"441613304"	NA
"804230"	804230	NA	"CC(=O)OC[C@]1(C)C=C2C(=C(C)C3(CC3)[C@@](C)(O)C2=O)[C@H]1O"	0	NA	NA	2	2	"441612890"	NA
"804254"	804254	"SHP-099"	"CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl"	0	"PTPN11"	"Clinical trial"	1	1	"-1"	"1801747114"
"804258"	804258	NA	"CCOc1cccc(c1)c2nc(N)nc(Nc3ccccc3SSc4ccccc4Nc5nc(N)nc(n5)c6cccc(OCC)c6)n2"	0	NA	NA	1	1	"441612703"	NA
"804262"	804262	NA	"Brc1cc(ccn1)C(=N)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	1	1	"441612702"	NA
"804265"	804265	NA	"COc1cc2[C@H]([C@H]3c4cc(C[C@H](C)O)cc(O)c4C(=O)c5c(O)c(Cl)c(OC)cc35)c6cc(C[C@H](C)O)cc(O)c6C(=O)c2c(O)c1Cl"	0	NA	NA	2	1	"441613323"	NA
"804279"	804279	NA	"CCCCCCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCCCCCC)cc3nc2c1"	0	NA	NA	2	2	"441613321"	NA
"804282"	804282	NA	"O=C(Nc1ccccc1)Nc2ccc3cc4ccc(NC(=O)Nc5ccccc5)cc4nc3c2"	0	NA	NA	1	1	"441613141"	NA
"804286"	804286	NA	"O=C(NCCc1ccccc1)Nc2ccc3cc4ccc(NC(=O)NCCc5ccccc5)cc4nc3c2"	0	NA	NA	1	1	"441612940"	NA
"804412"	804412	NA	"C[C@@]12CC=C3c4nc(Nc5cccc(O)c5)sc4CC[C@]3(C)[C@H]1CC[C@@]6(C)[C@H]2CCC6=O"	0	NA	NA	1	1	"441613859"	NA
"804426"	804426	NA	"CC(=O)N1C(C2=C(Nc3ccccc13)C(C)(C)N(Cc4ccccc4)C2=O)c5occc5"	0	NA	NA	2	2	"441614049"	NA
"804480"	804480	NA	"O=C(\C=C\1/C(=O)Nc2ccccc12)c3ccc(cc3)N4CCCC4"	0	NA	NA	1	1	"441614054"	NA
"804497"	804497	NA	"COc1cc(\C=C\C(=O)\C=C\c2ccc(cc2)n3ccnc3C)ccc1O"	0	NA	NA	1	1	"441614053"	NA
"804498"	804498	NA	"COc1cc(\C=C\C(=O)\C=C\c2ccc(cc2)n3ccnc3)ccc1O"	0	NA	NA	1	1	"441613452"	NA
"804518"	804518	"BAY-1163877"	"COCc1c(CN2CCNC(=O)C2)n3ncnc(N)c3c1c4cc5cc(C)cc(OC)c5s4"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1443530059"
"804520"	804520	"HDM-201"	"COc1ncc(c(OC)n1)c2nc3C(=O)N([C@@H](c4ccc(Cl)cc4)c3n2C(C)C)C5=CC(=CN(C)C5=O)Cl"	0	"MDM2"	"Clinical trial"	1	1	"-1"	"1448867411"
"804521"	804521	"S-222611"	"CC#C\C(=N/OC[C@H]1COCCN1)\c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:EGFR,ERBB2"	"Clinical trial"	1	1	"-1"	NA
"804572"	804572	NA	"COc1ncc(cc1S(=O)(=O)Nc2ccc(F)cc2F)c3ccc4N=C(N)N(C(=O)c4c3)c5ccccc5C(F)(F)F"	0	NA	NA	1	1	"441613689"	NA
"804629"	804629	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441613095"	NA
"804637"	804637	NA	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ncc(s3)C(=O)Nc4c(C)cccc4Cl)CC1"	0	NA	NA	2	2	"441613482"	NA
"804644"	804644	NA	"O=C(Nc1cccnc1)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cccnc5"	0	NA	NA	2	2	"441613476"	NA
"804645"	804645	NA	"C[n+]1cccc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5ccc[n+](C)c5)c1"	0	NA	NA	2	2	"441614083"	NA
"804660"	804660	NA	"Oc1cc(OCc2cn(Cc3ccc(F)cc3)nn2)cc4OC(=CC(=O)c14)c5ccccc5"	0	NA	NA	1	1	"441613091"	NA
"804681"	804681	NA	"CN1CCN(CC1)C(=O)[C@]23CC[C@H]([C@@H]2[C@H]4CC[C@@H]5[C@@]6(C)C\C(=C\c7ccncc7)\[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3)C(=C)C"	0	NA	NA	1	1	"441612820"	NA
"804687"	804687	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)N"	0	NA	NA	1	1	"441614014"	NA
"804688"	804688	NA	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	NA	NA	1	1	"441613030"	NA
"804692"	804692	NA	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O"	0	NA	NA	1	1	"441612611"	NA
"804700"	804700	NA	"CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]3[C@@](C)(CCC(=O)NCC#C)[C@@H](CC[C@@]23C)C(=C)C)C"	0	NA	NA	1	1	"441613822"	NA
"804702"	804702	NA	"C[C@H](CCC(=O)NCC#C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	"441613624"	NA
"804707"	804707	NA	"CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]3[C@@]4(C)CC\C(=N\O)\C(C)(C)[C@@H]4CC[C@@]23C)C"	0	NA	NA	1	1	"441613017"	NA
"804720"	804720	NA	"COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1"	0	NA	NA	1	1	"441613603"	NA
"804737"	804737	NA	"COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC\C(=N/OCC\C(=N\OCCC#N)\NCCC#N)\C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C"	0	NA	NA	1	1	"441613405"	NA
"804741"	804741	NA	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCCNCCNCCN"	0	NA	NA	1	1	"441613220"	NA
"804785"	804785	NA	"COC(=O)\C=C\c1cc(O)c2oc(c3ccc(O)c(O)c3)c(C(=O)OC)c2c1"	0	NA	NA	3	3	"441613620"	NA
"804832"	804832	NA	"Cc1ccc(\C=C\C(=O)c2ccc(N)cc2)c(C)c1"	0	NA	NA	1	1	"441612835"	NA
"804861"	804861	"ASTX-660"	"C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN5CCOC[C@H]5C)CN1"	0	"IAP"	"Clinical trial"	1	1	"-1"	"1799328861"
"804929"	804929	NA	"COc1cc(cc(OC)c1OC)C2C(=C(N)OC3=C2C(=O)c4ccccc4C3=O)C#N"	0	NA	NA	1	1	"441613613"	NA
"804935"	804935	NA	"Cc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1C"	0	NA	NA	2	2	"441614008"	NA
"804962"	804962	"FGF-401"	"COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1708971554"
"804982"	804982	NA	"COc1ccc(cc1)c2oc(C)c(\C=N\Nc3cc(C)nc4ccc(Cl)cc34)n2"	0	NA	NA	1	1	"441612635"	NA
"804984"	804984	NA	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Cl)cc23)c4ccc(Cl)cc4"	0	NA	NA	1	1	"441614022"	NA
"804985"	804985	NA	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Br)cc23)c4ccc(Cl)cc4"	0	NA	NA	1	1	"441613232"	NA
"804986"	804986	NA	"Cc1cc(N\N=C\c2nc(oc2C)c3ccccc3)c4cc(Cl)ccc4n1"	0	NA	NA	1	1	"441613049"	NA
"804991"	804991	NA	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Br)cc23)c4ccc(Br)cc4"	0	NA	NA	1	1	"441613639"	NA
"805021"	805021	NA	"NC1=C(C(c2ccccc2)c3ccc4ccccc4c3O1)C(=N)NO"	0	NA	NA	2	2	"441612845"	NA
"805055"	805055	NA	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4OCCOc34"	0	NA	NA	1	1	"441613294"	NA
"805061"	805061	NA	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(F)cc3)\C(=O)\C(=C\c4ccc(F)cc4)\C2)CC1"	0	NA	NA	3	2	"441612908"	NA
"805062"	805062	NA	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(Cl)cc3)\C(=O)\C(=C\c4ccc(Cl)cc4)\C2)CC1"	0	NA	NA	3	1	"441613905"	NA
"805063"	805063	NA	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)\C(=C\c4ccc(Cl)c(Cl)c4)\C2)CC1"	0	NA	NA	3	2	"441613904"	NA
"805064"	805064	NA	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc1"	0	NA	NA	1	1	"441613295"	NA
"805065"	805065	NA	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc1"	0	NA	NA	1	1	"441613496"	NA
"805066"	805066	NA	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc(OC)c1OC"	0	NA	NA	3	2	"441613901"	NA
"805068"	805068	NA	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)\C(=C\c4ccc(cc4)[N+](=O)[O-])\C2)CC1"	0	NA	NA	3	3	"441613109"	NA
"805069"	805069	NA	"O=C(CCN1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)N4C\C(=C/c5ccccc5)\C(=O)\C(=C\c6ccccc6)\C4"	0	NA	NA	3	3	"441613900"	NA
"805093"	805093	NA	"CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)C6CC(=C(C)C(=O)O6)C"	0	NA	NA	2	1	"441612909"	NA
"805094"	805094	NA	"CC1=C(C)C(=O)OC(C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23COC(=O)c7oc(C)cc7"	0	NA	NA	2	1	"441613509"	NA
"805098"	805098	NA	"Nc1nc2ccc(cc2s1)c3nc4ccc5[nH]ncc5c4c6CCCc36"	0	NA	NA	2	2	"441612912"	NA
"805100"	805100	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5nc(C)c(C)nc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613503"	NA
"805101"	805101	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5nccnc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"441613301"	NA
"805102"	805102	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613108"	NA
"805103"	805103	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(C)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441612905"	NA
"805104"	805104	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5cccnc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613106"	NA
"805105"	805105	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccncc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441613711"	NA
"805106"	805106	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5cnccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"441614094"	NA
"805107"	805107	NA	"C=C1CC2(OC1=O)C(=O)Nc3ccccc23"	0	NA	NA	1	1	"441613297"	NA
"805108"	805108	NA	"C=C1CC2(OC1=O)C(=O)N(CCCN3C(=O)C4(CC(=C)C(=O)O4)c5ccccc35)c6ccccc26"	0	NA	NA	1	1	"441613302"	NA
"805109"	805109	NA	"C=C1CC2(OC1=O)C(=O)N(CCCCCCCN3C(=O)C4(CC(=C)C(=O)O4)c5ccccc35)c6ccccc26"	0	NA	NA	1	1	"441613497"	NA
"805129"	805129	NA	"Brc1cccc(c1)c2cc(n[nH]2)c3ccc4OCCOc4c3"	0	NA	NA	1	1	"441613237"	NA
"805131"	805131	NA	"Clc1cccc(c1)c2cc(n[nH]2)c3ccc4OCCOc4c3"	0	NA	NA	1	1	"441613428"	NA
"805134"	805134	NA	"Brc1cccc(c1)c2cc(n[nH]2)c3ccc4nccnc4c3"	0	NA	NA	2	2	"441613047"	NA
"805149"	805149	"TP-3654"	"CC(C)(O)[C@@H]1CC[C@H](CC1)Nc2ccc3ncc(c4cccc(c4)C(F)(F)F)n3n2"	0	"PK:PIM1,PIM3"	"Clinical trial"	1	1	"-1"	"1361951156"
"805200"	805200	NA	"C[C@]12CC[C@H]3[C@@H](CC=C4c5nc(NCCc6ccccc6)sc5CC[C@]34C)[C@@H]1CCC2=O"	0	NA	NA	1	1	"441613987"	NA
"805251"	805251	NA	"COc1cc(\C=C\2/CCC\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)cc(CN5CCCC5)c1O"	0	NA	NA	1	1	"441613984"	NA
"805256"	805256	NA	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCOCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccc(C)cc5)cc(CN6CCOCC6)c1O"	0	NA	NA	1	1	"441613003"	NA
"805260"	805260	NA	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccc(C)cc5)cc(CN6CCCC6)c1O"	0	NA	NA	1	1	"441613193"	NA
"805261"	805261	NA	"Cc1c(C)c2OC(C)(CCCCCCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)CCc2c(C)c1OC(=O)CCC(=O)O"	0	NA	NA	2	2	"441613191"	NA
"805336"	805336	NA	"BrC1CCC(CC1)NC(=O)C2CCCC(C2)S(=O)(=O)NC3CCCCC3"	0	NA	NA	1	1	"441613920"	NA
"805338"	805338	NA	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC"	0	NA	NA	3	3	"441612936"	NA
"805500"	805500	"SEL-120"	"Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N4CCNCC4"	0	"PK:CDK"	"Clinical trial"	1	1	"-1"	"1609452303"
"805524"	805524	NA	"Clc1ccc(CN2C(=S)Nc3sc4CC(=O)CCc4c3C2=O)cc1"	0	NA	NA	2	1	"441612955"	NA
"805531"	805531	NA	"COc1cc(OC)cc(c1)C2C(=C(N)Oc3c2ccc4ccc(O)cc34)C#N"	0	NA	NA	2	2	"441612953"	NA
"805596"	805596	"IDF-11774"	"CN1CCN(CC1)C(=O)COc2ccc(cc2)[C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4"	0	""	"Clinical trial"	1	1	"-1"	"1429054283"
"805597"	805597	"Ritanserin"	"CC1=C(CCN2CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1"	0	NA	NA	1	1	"440807108"	"87051432"
"805613"	805613	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	1	1	"441613945"	NA
"805641"	805641	NA	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	"441613946"	NA
"805643"	805643	NA	"COc1cccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)c1"	0	NA	NA	2	1	"441613162"	NA
"805645"	805645	NA	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(=O)\C=C\c4cccc(OC)c4)cc1"	0	NA	NA	1	1	"441613566"	NA
"805649"	805649	NA	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4)cc1"	0	NA	NA	2	2	"441613565"	NA
"805650"	805650	NA	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)cc1"	0	NA	NA	2	1	"441612760"	NA
"805651"	805651	NA	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4C)cc1"	0	NA	NA	2	2	"441614145"	NA
"805652"	805652	NA	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(=O)\C=C\c4ccc(OC)cc4)cc1"	0	NA	NA	2	2	"441613759"	NA
"805654"	805654	NA	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4Cl)cc1"	0	NA	NA	1	1	"441613947"	NA
"805655"	805655	NA	"COc1ccc(\C=C\C(=O)c2cc3c(\N=C\c4ccc(OC)cc4)c(sc3nc2C)C(=O)Nc5cccc(Cl)c5C)cc1"	0	NA	NA	2	2	"441612759"	NA
"805657"	805657	NA	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(=O)\C=C\c4ccccc4"	0	NA	NA	2	2	"441612758"	NA
"805660"	805660	NA	NA	0	NA	NA	1	1	"441613343"	NA
"805745"	805745	NA	"CC(C)C1CC(C)(O)C(CC1O)OC(=O)C(O)(CCC(C)(O)C(=O)OC2(CCC(C)C=C2)C(C)C)C(C)C"	0	NA	NA	2	2	"443699229"	NA
"805746"	805746	"CC-671"	"CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c4c(c[nH]c4n2)c5ccc6nc(C)oc6c5)c(OC)c1"	0	"PK:TTK"	"Clinical trial"	2	2	"-1"	"1618658880"
"805785"	805785	NA	"CCCCCCCCn1ccc2cc(NC(=O)Cn3cc(CN4CCCCC4)nn3)ccc12"	0	NA	NA	1	1	"443699081"	NA
"805852"	805852	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cn(C)cn4)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"443699062"	NA
"805889"	805889	NA	"COc1ccc(\C=N/Nc2nc(SCC(C)C)nc(c3ccc(OC)cc3)c2C#N)cc1"	0	NA	NA	1	1	"443698799"	NA
"805939"	805939	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=CC(=O)c12"	0	NA	NA	1	1	"443699401"	NA
"805953"	805953	NA	"CCN(CC)CCCN1C(=O)c2c(C)c3oc4cc(O)ccc4c3c(C)c2C1=O"	0	NA	NA	1	1	"443698809"	NA
"805955"	805955	NA	"CCN(CC)CCCN1C(=O)c2c(C)c3oc4ccc(O)cc4c3c(C)c2C1=O"	0	NA	NA	1	1	"443698808"	NA
"805956"	805956	NA	"Cn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6cc(Br)ccc6n(C)c5c13"	0	NA	NA	2	2	"443699504"	NA
"805957"	805957	NA	"Cc1c2cnccc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	2	2	"443699109"	NA
"805964"	805964	NA	"COc1cc2c3C(=O)N(CCN4CCCCC4)C(=O)c3c5c6ccccc6[nH]c5c2c(OC)c1OC"	0	NA	NA	2	1	"443699516"	NA
"806009"	806009	NA	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc(c2)C(F)(F)F"	0	NA	NA	2	2	"443699508"	NA
"806010"	806010	NA	"COc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F"	0	NA	NA	1	1	"443699252"	NA
"806017"	806017	NA	"CCNC(=O)N1CCc2c(Cl)c3OCCOc3c(OC)c2[C@@H]1[C@H]4OCc5c(OC)c(OC)ccc45"	0	NA	NA	1	1	"443699084"	NA
"806019"	806019	NA	"COc1ccc2[C@H](OCc2c1OC)[C@@H]3N(CCc4cc5OCOc5c(OC)c34)S(=O)(=O)c6cn(C)cn6"	0	NA	NA	1	1	"443699247"	NA
"806026"	806026	NA	"CN1CCN(CC1)c2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c6CCCCc36)cc2C(F)(F)F"	0	NA	NA	1	1	"443698692"	NA
"806027"	806027	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443699510"	NA
"806028"	806028	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443698971"	NA
"806029"	806029	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443699096"	NA
"806030"	806030	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443699390"	NA
"806131"	806131	NA	"COc1ccc(cc1)c2cc(nc(NCCCCNc3ccnc4cc(Cl)ccc34)n2)c5ccc(Cl)cc5"	0	NA	NA	1	1	"443698953"	NA
"806136"	806136	NA	"COc1ccc(cc1)c2cc(nc(n2)N3CCN(CCNc4ccnc5cc(Cl)ccc45)CC3)c6ccccc6"	0	NA	NA	1	1	"443699255"	NA
"806190"	806190	NA	"C[C@]12CC[C@H]3[C@@H](CC=C4c5nc(Nc6ccc(OC(F)(F)F)cc6)sc5CC[C@]34C)[C@@H]1CCC2=O"	0	NA	NA	1	1	"443699386"	NA
"806201"	806201	NA	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)N(C)CC(=O)N(C)CCOCCOc12"	0	NA	NA	1	1	"443698553"	NA
"806202"	806202	NA	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)NCCOCCOCCOc12"	0	NA	NA	1	1	"443698690"	NA
"806203"	806203	NA	"COc1cccc(c1)C2C(=C(N)Oc3c2ccc4ccccc34)C#N"	0	NA	NA	2	2	"443698804"	"149550572"
"806276"	806276	NA	"COc1ccc(Nc2ncc(I)c(NCCCNC(=O)C3CCC3)n2)cc1"	0	NA	NA	1	1	"443699384"	NA
"806289"	806289	NA	"ICC(=O)NC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	NA	NA	1	1	"443698839"	NA
"806370"	806370	NA	"Fc1cccc(Oc2ccc(NC(=O)c3cnccn3)cc2Cl)c1"	0	NA	NA	1	1	"443698512"	NA
"806376"	806376	NA	"Clc1cccc(Oc2ccc(NC(=O)c3cnccn3)cc2Cl)c1"	0	NA	NA	2	2	"443698502"	NA
"806377"	806377	NA	"Clc1cccc(Oc2ccc(NC(=O)c3cccnc3)cc2Cl)c1"	0	NA	NA	1	1	"443698643"	NA
"806387"	806387	"CYC-065"	"CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c3ncn(C(C)C)c3n1)[C@@H](C)O"	0	"PK:CDK"	"Clinical trial"	2	1	"-1"	"1070790894"
"806388"	806388	"E-7090"	"CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1622204210"
"806403"	806403	NA	"Cc1c(Cl)cccc1C(=O)Nc2nc3CCN(Cc3s2)C(=O)c4ccc(cc4)C(F)(F)F"	0	NA	NA	2	2	"443699202"	NA
"806405"	806405	NA	"Cc1c(Cl)cccc1C(=O)Nc2nc3CCN(Cc3s2)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	"443698506"	NA
"806408"	806408	NA	"C[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"443698654"	NA
"806410"	806410	NA	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCCCCC(=O)NO)c3C(=O)N2c4ccccc4"	0	NA	NA	1	1	"443698922"	NA
"806467"	806467	NA	"COc1cccc2cc(ccc12)N(C)c3ncnc4ccccc34"	0	NA	NA	2	2	"443698601"	NA
"806468"	806468	NA	"CN(C)CC1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)NCc4ccc(CN5C(=O)SN(CCCI)C5=O)cc4"	0	NA	NA	1	1	"443698658"	NA
"806527"	806527	NA	"CN[C@]12CC3(O[C@@]1(Cc4ccc(OC)cc4)N(C)C(=O)N2)C=CC(=O)C=C3"	0	NA	NA	1	1	"443698598"	"813460810"
"806529"	806529	NA	"CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)C#Cc4cccc5[nH]nc(N)c45"	0	NA	NA	2	2	"443699143"	NA
"806595"	806595	"PLX-51107"	"C[C@@H](c1ccccn1)n2cc(c3ccc(cc3)C(=O)O)c4ncc(cc24)c5c(C)onc5C"	0	""	"Clinical trial"	2	2	"-1"	"1627929558"
"806764"	806764	NA	"Nc1nn(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(c4ccc(Cl)cc4)c1C#N"	0	NA	NA	1	1	"443698880"	NA
"806795"	806795	NA	"COc1ccc(C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)c(C)c1"	0	NA	NA	1	1	"443698485"	NA
"806796"	806796	NA	"COc1cc(C)c(C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)c(C)c1"	0	NA	NA	1	1	"443699186"	NA
"806797"	806797	NA	"COc1ccc(OC(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)cc1"	0	NA	NA	1	1	"443698632"	NA
"806798"	806798	NA	"COc1ccc(NC(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)cc1"	0	NA	NA	1	1	"443698630"	NA
"806812"	806812	"RG-6016"	"N[C@@H]1CC[C@H](CC1)N[C@@H]2C[C@H]2c3ccccc3"	0	""	"Clinical trial"	1	1	"-1"	"1431303728"
"806827"	806827	NA	"CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCN(C(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12"	0	NA	NA	1	1	"443698766"	NA
"806835"	806835	NA	"Cc1ccc(cc1)S(=O)(=O)OC[C@]23CCC(C)(C)C[C@H]2C4=CC[C@@H]5[C@@]6(C)CCCNC(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3"	0	NA	NA	1	1	"443699327"	NA
"806889"	806889	NA	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6ccncc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)N7CCOCC7"	0	NA	NA	1	1	"443698635"	NA
"806936"	806936	NA	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"443699149"	NA
"806966"	806966	NA	"N=C(NC(=O)Nc1cccc2ccccc12)Nc3nc4ccccc4s3"	0	NA	NA	2	2	"443698863"	NA
"806967"	806967	NA	"COc1ccccc1NC(=O)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	2	2	"443698866"	NA
"806989"	806989	NA	"CCC(C)C1NC(=O)C(NC(=O)c2nc(oc2c3ccccc3)c4csc(n4)c5csc(n5)c6nc(oc6C)c7coc(CNC1=O)n7)C(C)CC"	0	NA	NA	2	2	"443699287"	NA
"807000"	807000	NA	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1Oc6ccc(N)cn6"	0	NA	NA	1	1	"443698875"	NA
"807003"	807003	NA	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC(=O)c6ccc(N)cc6"	0	NA	NA	1	1	"443699559"	NA
"807024"	807024	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443699125"	NA
"807025"	807025	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4ccc(N)nc4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443698713"	NA
"807028"	807028	NA	"CO\N=C\C=C/C(=O)N\C=C\C[C@@H]1OC(=O)c2c(O)cccc2\C=C\C=C/[C@@H](O)\C=C\1"	0	NA	NA	2	2	"443698710"	NA
"807047"	807047	"LXH-254"	"Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1c3cc(OCCO)nc(c3)N4CCOCC4"	0	"PK:RAF"	"Clinical trial"	1	1	"-1"	"1800398382"
"807055"	807055	"AZD-5991"	"Cc1c2c(CSCc3cc(CSc4cc(OCCCc5c(C(=O)O)n(C)c6c2c(Cl)ccc56)c7ccccc7c4)n(C)n3)nn1C"	0	""	"Clinical trial"	1	1	"-1"	NA
"807071"	807071	NA	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)CCOCCOCCOc12"	0	NA	NA	1	1	"443699127"	NA
"807081"	807081	NA	"COC(=O)\C=C\c1cc(OC(=O)C)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	NA	NA	3	3	"443699533"	NA
"807121"	807121	NA	"CC(C)c1ccc(Cn2ccc3c2ccc4nc(NC5CC5)nc(N)c34)cc1"	0	NA	NA	2	1	"443699541"	"1216720692"
"807138"	807138	NA	"Nc1c(nc(cc1c2ccc(Nc3nc(nc(n3)N4CCCCC4)N5CCCCC5)cc2)c6cccc(Br)c6)C#N"	0	NA	NA	1	1	"443698593"	NA
"807148"	807148	NA	"[Re+]1(C#[OH])(C#[N]c2ccc(cc2)C)(C#[OH])(C#[OH])[n]2c(ccc3c2c2[n]1c(ccc2cc3)C)C"	0	NA	NA	1	1	"459278863"	NA
"807317"	807317	NA	"CC1=C2C(C(=[O][Fe+2])C3(C(C(C(CC1OC(=[O][Fe+2])C(C([N-](C(=O)c1ccccc1)[Cu+])c1ccccc1)[O-][Cu+])(C2(C)C)[O-][Cu+])OC(=[O][Fe+2])c1ccccc1)C1(C(CC3[O-][Cu+])OC1)[O](C(=[O][Fe+])C)[Cu+])C)OC(=[O][Fe+2])C"	0	NA	NA	2	2	"459278864"	NA
"807322"	807322	NA	"CC[C@H](Nc1nc(N)nc(N)c1Cl)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"443698583"	NA
"807342"	807342	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"443699423"	NA
"807343"	807343	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(F)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"443699132"	NA
"807344"	807344	NA	"CN1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cnc(N)c5ncccc45)c3F)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"443699425"	NA
"807347"	807347	NA	"COc1c(cccc1c2nc3ccc4[nH]ncc4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	"443698592"	NA
"807352"	807352	NA	"Oc1c(ccc2cncnc12)C(N3CCCCC3)c4ccc(F)cc4"	0	NA	NA	2	1	"459277826"	NA
"807353"	807353	NA	"CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc2ccc(Cl)c3cccnc23"	0	NA	NA	1	1	"459278366"	NA
"807398"	807398	"INCB-057643"	"CN1C=C(c2cc(cc3N(C)C(=O)C(C)(C)Oc23)S(=O)(=O)C)c4cc[nH]c4C1=O"	0	""	"Clinical trial"	1	1	"-1"	"1820889233"
"807408"	807408	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O"	0	NA	NA	2	2	"459278368"	"915769505"
"807438"	807438	NA	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)c3cc4ccccc4[nH]3)nc12"	0	NA	NA	2	1	"459277252"	NA
"807440"	807440	NA	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3"	0	NA	NA	1	1	"459278361"	NA
"807442"	807442	NA	"Oc1c(Br)cc(Br)c2ccc(COC(=O)c3cc4ccccc4[nH]3)nc12"	0	NA	NA	2	1	"459276969"	NA
"807444"	807444	NA	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4c(Br)cc(Br)c(O)c4n3"	0	NA	NA	2	1	"459276982"	NA
"807445"	807445	NA	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4cccc(O)c4n3"	0	NA	NA	1	1	"459276987"	NA
"807564"	807564	NA	"Cn1cc(c2nonc2c3cn(C)c4ccc(F)cc34)c5ccccc15"	0	NA	NA	2	2	"459276974"	NA
"807579"	807579	NA	"COc1cc(ccc1O)c2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2"	0	NA	NA	2	2	"459277193"	NA
"807580"	807580	NA	"Oc1ccc(cc1)c2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2"	0	NA	NA	2	2	"459278308"	NA
"807620"	807620	NA	"COc1ccc(cc1)c2cc(Nc3ccnc(n3)N4CCOCC4)on2"	0	NA	NA	2	2	"459277197"	NA
"807626"	807626	"JNJ-3887618"	"FC(F)(c1ccc2ncccc2c1)c3nnc4ccc(nn34)c5ccncc5"	0	""	"Clinical trial"	1	1	"-1"	"943540747"
"807759"	807759	NA	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC"	0	NA	NA	2	2	"459278250"	NA
"808262"	808262	NA	"COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)S(=O)(=O)N4CCCCC4"	0	NA	NA	1	1	"459276682"	NA
"808264"	808264	NA	"Cc1[nH]c(c2CCCCC(=O)c12)c3cc(N)ccc3Cl"	0	NA	NA	1	1	"459278581"	NA
"808296"	808296	NA	"Cc1ccc2c(C(C[N+](=O)[O-])c3ccccc3)c([nH]c2c1)c4ccccc4"	0	NA	NA	1	1	"459278263"	NA
"808304"	808304	NA	"Cc1ccc2c(C(C[N+](=O)[O-])c3occc3)c([nH]c2c1)c4ccccc4"	0	NA	NA	1	1	"459277722"	NA
"808307"	808307	NA	"CC(C)C(O)(CCC(C)(C)C(=O)OC1(CCC(=CC1)C)C(C)C)C(=O)OC2(CCC3(C)OC3C2)C(C)C"	0	NA	NA	2	2	"459277812"	NA
"808312"	808312	NA	"COc1ccc(cc1)C2CC(=NN2\C=C\3/SC(=S)N(NC(=O)Cc4ccccc4Nc5c(Cl)cccc5Cl)C3=O)c6ccc7ccccc7c6"	0	NA	NA	2	2	"459277543"	NA
"808313"	808313	NA	"CCN1C(=S)S\C(=C/NNC(=O)C(C)c2ccc(CC(C)C)cc2)\C1=O"	0	NA	NA	2	2	"459277542"	NA
"808314"	808314	NA	"O=C1SC2=Cc3c(OC2=N1)ccc4ccccc34"	0	NA	NA	2	2	"459277281"	NA
"808318"	808318	NA	"COC(=O)c1[nH]c2ccc(F)cc2c1\C=C\3/SC(=S)NC3=O"	0	NA	NA	2	2	"459277011"	NA
"808331"	808331	NA	"O=C1NC(=S)N/C/1=N/Nc2cccc3C(=O)c4ccccc4C(=O)c23"	0	NA	NA	2	2	"459278380"	NA
"808338"	808338	NA	"Oc1ccccc1C2CC(=NN2\C=C\3/SC(=S)N(C3=O)c4cccnc4)c5ccc6ccccc6c5"	0	NA	NA	1	1	"459278050"	NA
"808473"	808473	NA	"Cc1nc(Nc2ccccn2)sc1C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	2	2	"459277563"	NA
"808507"	808507	"PF-6459988"	"Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n4ccc5c(N)ncnc45)ccc2cc1Br"	0	"PRMT5|PK:EGFR"	"Clinical trial"	1	1	"-1"	"2086772269"
"808547"	808547	NA	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCc6ccc(cc6)B(O)O)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"459276770"	NA
"808548"	808548	NA	"Brc1cnc(Nc2cccc(CNC(=O)C=C)c2)nc1NCCCNC(=O)C3CCC3"	0	NA	NA	2	2	"459276960"	NA
"808549"	808549	NA	"Brc1cnc(Nc2cccc(OCCNC(=O)C=C)c2)cc1NCCCNC(=O)C3CCC3"	0	NA	NA	1	1	"459277506"	NA
"808551"	808551	NA	"C=CC(=O)Nc1ccc(Nc2nccc(n2)c3ccc(N4CCCC4)c(c3)C#N)cc1"	0	NA	NA	1	1	"459278584"	NA
"808552"	808552	NA	"ClCC(=O)Nc1ccc(Nc2nccc(n2)c3ccc(N4CCCC4)c(c3)C#N)cc1"	0	NA	NA	1	1	"459278588"	NA
"808575"	808575	NA	"O=C(Nc1ncc(Cc2ccccc2)s1)c3ccc4OCCOc4c3"	0	NA	NA	2	2	"459278382"	NA
"808576"	808576	NA	"Clc1ccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)cc1"	0	NA	NA	2	2	"459278051"	NA
"808577"	808577	NA	"FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)c1"	0	NA	NA	2	2	"459277801"	NA
"808578"	808578	NA	"Clc1ccccc1Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2"	0	NA	NA	2	2	"459278381"	NA
"808579"	808579	NA	"COc1ccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)cc1"	0	NA	NA	2	2	"459278636"	NA
"808580"	808580	NA	"CC(C)c1ccc(Cc2cnc(NC(=O)c3cc(Br)cs3)s2)cc1"	0	NA	NA	1	1	"459278626"	NA
"808683"	808683	NA	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)OCc3ccc4c(Br)cc(Br)c(O)c4n3)cc2)C1=O"	0	NA	NA	2	2	"459278677"	NA
"808685"	808685	NA	"Oc1c(Br)cc(Br)c2ccc(COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)nc12"	0	NA	NA	2	1	"459278674"	NA
"808686"	808686	NA	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)OCc3ccc4cccc(O)c4n3)cc2)C1=O"	0	NA	NA	1	1	"459277852"	NA
"808687"	808687	NA	"Oc1cccc2ccc(COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)nc12"	0	NA	NA	2	1	"459277310"	NA
"808688"	808688	NA	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)C(C)c3ccc(CC(C)C)cc3)cc2)C1=O"	0	NA	NA	2	1	"459278399"	NA
"808689"	808689	NA	"CC(C)Cc1ccc(cc1)C(C)C(=O)NCc2ccc(CN3C(=O)SN(CCCCl)C3=O)cc2"	0	NA	NA	1	1	"459277036"	NA
"808690"	808690	NA	"CC(C)Cc1ccc(cc1)C(C)C(=O)NCc2ccc(CN3C(=O)SN(CCCI)C3=O)cc2"	0	NA	NA	2	1	"459276772"	NA
"808715"	808715	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(Cc5ccc6ccccc6c5O)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	"459278681"	NA
"808716"	808716	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(Cc5c(O)ccc6ccccc56)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	"459278398"	NA
"808754"	808754	NA	"CC(C)n1cc(\C=N/N=C\2/C(=O)Nc3ccc(C)cc23)c4ccccc14"	0	NA	NA	1	1	"459277142"	NA
"808789"	808789	"RG-7741"	"N[C@@H]1CCCN(C1)c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23"	0	""	"Clinical trial"	2	2	"-1"	"1196541475"
"808790"	808790	"AZD-0364"	"COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C"	0	"PK:ERK"	"Clinical trial"	2	2	"-1"	"2097416765"
"808792"	808792	"CC-90003"	"COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1"	0	"PK:ERK"	"Clinical trial"	2	2	"-1"	"1621999823"
"808851"	808851	NA	"Clc1ccc(cc1)C(=O)n2cc(CNc3ccc(cc3)N4CCOCC4=O)c5ccccc25"	0	NA	NA	1	1	"459277625"	NA
"808852"	808852	NA	"Fc1ccc(Cn2cc(CNc3ccc(cc3)N4CCOCC4=O)c5ccccc25)cc1"	0	NA	NA	2	2	"459278722"	NA
"808861"	808861	NA	"CC(=O)C1=C(Nc2cccc(F)c2)Nc3c(Cl)cc(Cl)c(Cl)c3C1=O"	0	NA	NA	2	1	"459277350"	NA
"808866"	808866	NA	"C[C@]1(O)CC(=O)[C@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c4c(O)cccc4C3=O"	0	NA	NA	1	1	"459276814"	NA
"808995"	808995	NA	"Clc1ccc(Cc2cnc(NC(=O)\C(=C\c3oc(cc3)c4ccc(Cl)cc4)\C#N)s2)cc1"	0	NA	NA	1	1	"459277300"	NA
"808997"	808997	NA	"Clc1ccccc1Cc2cnc(NC(=O)\C(=C\c3cn(Cc4ccccc4)c5ccccc35)\C#N)s2"	0	NA	NA	1	1	"459278351"	NA
"809016"	809016	NA	"Cc1cc(C(=O)Nc2ncc(Cc3cccc(c3)C(F)(F)F)s2)c4ccccc4n1"	0	NA	NA	1	1	"459277238"	NA
"809043"	809043	NA	"CC1CCCc2sc3N=C(NNC(=O)c4cnccn4)N(C(=O)c3c12)c5ccccc5"	0	NA	NA	2	2	"459278732"	NA
"809045"	809045	NA	"CC1CCCc2sc3N=C(NNC(=O)c4cnc(C)cn4)NC(=O)c3c12"	0	NA	NA	1	1	"459277072"	NA
"809046"	809046	NA	"Cc1cnc(cn1)C(=O)Nc2cccc3ccc(nc23)N4CCN(CC4)C(=O)C=C"	0	NA	NA	1	1	"459277638"	NA
"809047"	809047	NA	"CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc2cc(F)cc3cccnc23"	0	NA	NA	1	1	"459278174"	NA
"809100"	809100	"RG-7112"	"CCOc1cc(ccc1C2=N[C@@](C)(c3ccc(Cl)cc3)[C@](C)(N2C(=O)N4CCN(CCCS(=O)(=O)C)CC4)c5ccc(Cl)cc5)C(C)(C)C"	0	"MDM2"	"Clinical trial"	1	1	"-1"	"939981392"
"809104"	809104	NA	"O=C(OC[C@@H]1CO1)c2cccc3C(=O)c4ccccc4Nc23"	0	NA	NA	2	2	"459278276"	NA
"809139"	809139	NA	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	1	1	"459277166"	NA
"809140"	809140	NA	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	2	1	"459278268"	NA
"809141"	809141	NA	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	2	1	"459278002"	NA
"809147"	809147	NA	"COc1ccc2[nH]c(cc2c1)C(=O)N3CCN(CC3)C(=O)OCc4ccc5c(Cl)cc(Cl)c(O)c5n4"	0	NA	NA	1	1	"459277158"	NA
"809151"	809151	NA	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)N3CCN(CC3)C(=O)c4cc5cc(F)ccc5[nH]4)nc12"	0	NA	NA	2	2	"459277999"	NA
"809153"	809153	NA	"Oc1cccc2ccc(COC(=O)N3CCN(CC3)C(=O)c4cc5cc(F)ccc5[nH]4)nc12"	0	NA	NA	1	1	"459278831"	NA
"809187"	809187	NA	"CCc1oc(CCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1"	0	NA	NA	2	2	"459278393"	NA
"809188"	809188	NA	"CCc1oc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1"	0	NA	NA	1	1	"459277779"	NA
"809191"	809191	NA	"Clc1c(sc2ccccc12)C(=O)Nc3ncc(Cc4ccccc4)s3"	0	NA	NA	2	2	"459278061"	NA
"809192"	809192	NA	"COc1ccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1"	0	NA	NA	2	2	"459277823"	NA
"809196"	809196	NA	"O=C(Nc1ncc(Cc2ccccc2)s1)\C=C\c3ccccc3"	0	NA	NA	2	2	"459277267"	NA
"809199"	809199	NA	"Clc1ccc(Cl)c(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	"459276990"	NA
"809200"	809200	NA	"FC(F)(F)c1cccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	"459277571"	NA
"809201"	809201	NA	"Cc1cccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	"459276991"	NA
"809202"	809202	NA	"Fc1ccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)cc1"	0	NA	NA	2	2	"459276694"	NA
"809312"	809312	NA	"CN(C)c1ccc(Nc2cc(nc3ccc(cc23)N4CCCC4)c5cccc(OC(F)(F)F)c5)cc1"	0	NA	NA	1	1	"461483297"	NA
"809318"	809318	NA	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)OCC[N+](C)(C)C"	0	NA	NA	1	1	"459278713"	NA
"809475"	809475	NA	"Clc1ccc(NC2=C(I)C(=O)c3ncccc3C2=O)cc1"	0	NA	NA	1	1	"459277342"	NA
"809476"	809476	NA	"Brc1ccc(NC2=C(I)C(=O)c3ncccc3C2=O)cc1"	0	NA	NA	1	1	"459276806"	NA
"809540"	809540	NA	"Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)c1"	0	NA	NA	1	1	"459277793"	NA
"809548"	809548	NA	"CC1CCc2c(C1)scc2C(=O)Nc3ncc(Cc4cccc(c4)[N+](=O)[O-])s3"	0	NA	NA	2	2	"459278660"	NA
"809550"	809550	NA	"Fc1ccccc1Cc2cnc(NC(=O)\C=C\c3cccs3)s2"	0	NA	NA	2	2	"459278336"	NA
"809644"	809644	NA	"CN1CCN(CC1)c2ccc(NC(=O)c3cncnc3Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)cc2"	0	NA	NA	1	1	"459278431"	NA
"809671"	809671	NA	"Oc1ccc2OC\C(=C/c3ccc(cc3)C(F)(F)F)\C(=O)c2c1"	0	NA	NA	1	1	"459277058"	NA
"809674"	809674	NA	"Oc1ccc2OC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1"	0	NA	NA	1	1	"459278435"	NA
"809676"	809676	NA	"Oc1ccc2OC\C(=C/c3cccc(Br)c3)\C(=O)c2c1"	0	NA	NA	1	1	"459277883"	NA
"809678"	809678	NA	"Oc1ccc2OC\C(=C/c3ccccc3[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	"459278718"	NA
"809679"	809679	NA	"Oc1ccc2OC\C(=C/c3cccc(c3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	"459278155"	NA
"809680"	809680	NA	"Oc1ccc2OC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	"459278161"	NA
"809681"	809681	NA	"COc1ccccc1\C=C\2/COc3ccc(O)c(O)c3C2=O"	0	NA	NA	1	1	"459277332"	NA
"809682"	809682	NA	"COc1cccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	"459278421"	NA
"809683"	809683	NA	"Cc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	2	2	"459278159"	NA
"809684"	809684	NA	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c(OC)c1OC"	0	NA	NA	1	1	"459278164"	NA
"809685"	809685	NA	"Oc1ccc2OC\C(=C/c3ccc(F)cc3)\C(=O)c2c1O"	0	NA	NA	1	1	"459277621"	NA
"809686"	809686	NA	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	2	2	"459276801"	NA
"809687"	809687	NA	"Oc1ccc2OC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1O"	0	NA	NA	1	1	"459276807"	NA
"809688"	809688	NA	"Oc1ccc2OC\C(=C/c3ccccc3Br)\C(=O)c2c1O"	0	NA	NA	1	1	"459277339"	NA
"809690"	809690	NA	"Oc1ccc2OC\C(=C/c3ccc(Br)cc3)\C(=O)c2c1O"	0	NA	NA	2	2	"459278434"	NA
"809691"	809691	NA	"Oc1ccc2OC\C(=C/c3cccc(Br)c3)\C(=O)c2c1O"	0	NA	NA	1	1	"459278427"	NA
"809693"	809693	"Copanlisib"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	"PK:PIK3"	"FDA approved"	2	2	"-1"	"1032568630"
"809694"	809694	"BOS-172722"	"CCOc1cc(ccc1Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c4nncn4C"	0	""	"Clinical trial"	2	2	"-1"	"1578245449"
"809697"	809697	NA	"CN1CCN(CC1)c2cc(Nc3cc(n[nH]3)C4CC4)nc(Nc5ccc(CC(=O)NCc6cccc(F)c6)cc5)n2"	0	NA	NA	2	2	"459278148"	NA
"809699"	809699	NA	"CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)c3cnc4cc(ccc4n3)c5cnn(CCN6CCOCC6)c5)c1"	0	NA	NA	2	2	"459277602"	NA
"809747"	809747	NA	"Cc1oc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1"	0	NA	NA	2	2	"459277006"	NA
"809748"	809748	NA	"CCc1oc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1"	0	NA	NA	1	1	"459276754"	NA
"809813"	809813	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CCc5ccccc5)c6ccccc46)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459278413"	NA
"809815"	809815	NA	"CCSC1=NC2C(N(CC)C(=O)N2CC)N1\N=C\C=C\c3ccccc3[N+](=O)[O-]"	0	NA	NA	2	2	"459277607"	NA
"809823"	809823	NA	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3OC)N(C1=S)c4ccccc4"	0	NA	NA	2	2	"459277861"	NA
"809837"	809837	NA	"CCN1C2NN=C3S\C(=C/c4ccc(cc4)C(F)(F)F)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459276776"	NA
"809838"	809838	NA	"CCN1C2NN=C3S\C(=C/c4ccccc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277860"	NA
"809839"	809839	NA	"CCN1C2NN=C3S\C(=C/c4ccc(cc4)[N+](=O)[O-])\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277871"	NA
"809840"	809840	NA	"CCN1C2NN=C3S\C(=C/c4cccc(c4)[N+](=O)[O-])\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277872"	NA
"809841"	809841	NA	"CCN1C2NN=C3S\C(=C/c4ccc(Cl)cc4Cl)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277321"	NA
"809843"	809843	NA	"CCN1C2NN=C3S\C(=C/c4ccc(F)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277045"	NA
"809844"	809844	NA	"CCN1C2NN=C3S\C(=C/c4ccc(OC)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277327"	NA
"809855"	809855	NA	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3OC)N(C1=O)c4ccccc4"	0	NA	NA	2	2	"459277853"	NA
"809856"	809856	NA	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3)C2N(CC)C1=S"	0	NA	NA	1	1	"459278151"	NA
"809857"	809857	NA	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=S"	0	NA	NA	2	2	"459277320"	NA
"809858"	809858	NA	"CCN1C2NN3C(=NC2N(CC)C1=O)S\C(=C/c4ccccc4Br)\C3=O"	0	NA	NA	1	1	"459277312"	NA
"809864"	809864	NA	"CCN1C2NC(=S)N(\N=C\C=C\c3cccs3)C2N(CC)C1=O"	0	NA	NA	2	2	"459278687"	NA
"809870"	809870	NA	"CCN1C2NN=C3S\C(=C/c4ccccc4Br)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459277600"	NA
"809872"	809872	NA	"CCCN1C(=O)\C(=C\2/SC3=NNC4C(N(CC)C(=O)N4CC)N3C2=O)\c5ccccc15"	0	NA	NA	2	2	"459277866"	NA
"809877"	809877	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"459278688"	NA
"809878"	809878	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CCC(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	1	1	"459277595"	NA
"809940"	809940	NA	"C1(=S)N(C2C(N(C(=O)N2CCC)CCC)N1)/N=C/C=C/c1c(cccc1)OC"	0	NA	NA	2	2	"459277609"	NA
"809943"	809943	NA	"O=C1N(C2C(N1C)NN=c1n2c(=O)/c(=C/c2c(cccc2)F)s1)C"	0	NA	NA	2	2	"459278141"	NA
"809944"	809944	NA	"O=C1N(C2C(N1C)NN=c1n2c(=O)/c(=C/c2ccc(cc2)F)s1)C"	0	NA	NA	1	1	"459278403"	NA
"809946"	809946	NA	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2ccc[nH]2)s1)CC"	0	NA	NA	2	2	"459277869"	NA
"809947"	809947	NA	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2cc3c(cccc3)[nH]2)s1)CC"	0	NA	NA	2	2	"459278133"	NA
"809948"	809948	NA	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2cnc(n2C)C)s1)CC"	0	NA	NA	1	1	"459277330"	NA
"809960"	809960	NA	"O=C1N(C2C(N1CC)Nn1c(=N2)s/c(=C2\C(=O)N(c3c2cccc3)C)c1=O)CC"	0	NA	NA	1	1	"459276792"	NA
"809964"	809964	NA	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2sccc2)s1)CC"	0	NA	NA	2	2	"459278417"	NA
"809970"	809970	"LOXO-195"	"C[C@@H]1CCc2ncc(F)cc2[C@H]3CCCN3c4ccn5ncc(C(=O)N1)c5n4"	0	""	"Clinical trial"	1	1	"-1"	"2097002612"
"809971"	809971	"S-64315"	"COc1ccccc1c2nccc(COc3ccccc3C[C@@H](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(=O)O)n2"	0	""	"Clinical trial"	2	2	"-1"	NA
"809972"	809972	"IACS-10759"	"Cc1nc(nn1Cc2cccc(c2)N3CCC(CC3)S(=O)(=O)C)c4onc(n4)c5ccc(OC(F)(F)F)cc5"	0	""	"Clinical trial"	2	2	"-1"	"1570496342"
"809973"	809973	"BAY-2402234"	"CCN1C(=NN(C1=O)c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)CO"	0	"DHODH"	"Clinical trial"	2	2	"-1"	NA
"809975"	809975	NA	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)OCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"459278189"	NA
"809976"	809976	NA	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	"459278477"	NA
"809994"	809994	NA	"NC1=C(C#N)C(c2ccccc2Cl)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	"459277598"	NA
"810082"	810082	NA	"ClCC(=O)Nc1cccc(NC(=O)Nc2cccc(c2)C#C)c1"	0	NA	NA	1	1	"459277374"	NA
"810107"	810107	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"459278298"	NA
"810108"	810108	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4ccc(N)nc4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"459278031"	NA
"810153"	810153	NA	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]27CO[C@]1(C)[C@H](C7)C(=O)\C=C/c8cccnc8"	0	NA	NA	2	1	"459277360"	NA
"810176"	810176	NA	"CCCCCCCOc1c(OC)cc(cc1OC)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	1	1	"459278188"	NA
"810180"	810180	NA	"COc1ccc(cc1)c2n[nH]cc2c3cc4NC(=O)COc4c(OC)c3"	0	NA	NA	2	2	"459278186"	NA
"810183"	810183	NA	"COc1ccc(cc1)c2conc2c3ccccc3"	0	NA	NA	2	2	"459277085"	NA
"810191"	810191	NA	"COc1cc(CCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(OC)c5OCOc15"	0	NA	NA	1	1	"459278733"	NA
"810196"	810196	NA	"COc1c(CCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc5OCOc5c1OC"	0	NA	NA	1	1	"459278180"	NA
"810224"	810224	NA	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2ccc(OCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)cc2"	0	NA	NA	2	2	"459278737"	NA
"810309"	810309	NA	"Cn1cc(cn1)c2cc3c(Nc4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4)ncnc3[nH]2"	0	NA	NA	2	2	"459277361"	NA
"810311"	810311	NA	"Cn1cc(cn1)c2ccc3cc(cnc3c2)c4ccc(CC(=O)Nc5cc(nn5C)C(C)(C)C)cc4"	0	NA	NA	2	2	"459277648"	NA
"810312"	810312	NA	"Cn1cc(cn1)c2ccc3cc(cnc3c2)c4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4"	0	NA	NA	1	1	"459276828"	NA
"810314"	810314	NA	"Cn1cc(cn1)c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2"	0	NA	NA	1	1	"459277088"	NA
"810341"	810341	"PF-6459988"	"CO[C@H]1CN(C[C@@H]1COc2nc(Nc3cnn(C)c3)nc4[nH]cc(Cl)c24)C(=O)C=C"	0	"PRMT5|PK:EGFR"	"Clinical trial"	1	1	"-1"	"1428774451"
"810362"	810362	NA	"C1CCC(CC1)P2(C3CCCCC3)C4CCCCC4P(C5CCCCC5)(C6CCCCC6)[Au]27C8CCCCC8CC9CCCCN79"	0	NA	NA	2	2	"472469378"	NA
"810363"	810363	NA	"O=C1C2CCCCC2[Au]3(N4CCCCC14)P(C5CCCCC5)(C6CCCCC6)C7CCCCC7P3(C8CCCCC8)C9CCCCC9"	0	NA	NA	2	1	"472469414"	NA
"810364"	810364	NA	"C1CCC(CC1)P2(C3CCCCC3)C4CCCCC4P(C5CCCCC5)(C6CCCCC6)[Au]27C8CCCCC8C9CCCCN79"	0	NA	NA	2	2	"472469449"	NA
"810423"	810423	NA	"C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](C[C@H](O)C3=C)OC(=O)CBr)\CCC[C@]12C"	0	NA	NA	2	2	"459276848"	NA
"810439"	810439	NA	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)cc1"	0	NA	NA	1	1	"459276846"	NA
"810442"	810442	NA	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	1	1	"459278762"	NA
"810443"	810443	NA	"Cc1nc2sc(C(=O)Nc3cccc(Br)c3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	1	"459278205"	NA
"810444"	810444	NA	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	"459277672"	NA
"810445"	810445	NA	"Cc1nc2sc(C(=O)Nc3cccc(Br)c3C)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	"459278203"	NA
"810446"	810446	NA	"COc1cccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)c1"	0	NA	NA	2	2	"459277663"	NA
"810447"	810447	NA	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(O)c5ccccc5"	0	NA	NA	2	2	"459278204"	NA
"810448"	810448	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4"	0	NA	NA	1	1	"459278769"	NA
"810511"	810511	NA	"Brc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	1	1	"459277686"	NA
"810513"	810513	NA	"Clc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	2	2	"459278787"	NA
"810517"	810517	NA	"O=S(=O)(Nc1ccc2ccccc2c1)c3ccc(cc3)c4oc(nc4)C5CC5"	0	NA	NA	1	1	"459277114"	NA
"810520"	810520	NA	"FC(F)(F)c1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1Cl"	0	NA	NA	2	1	"459278505"	NA
"810524"	810524	NA	"Clc1ccc2CCN(c2c1)c3ncnc4ccc(cc34)c5cnc6[nH]ncc6c5"	0	NA	NA	2	2	"461483354"	NA
"810557"	810557	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(OC)cc3"	0	NA	NA	1	1	"459277415"	NA
"810560"	810560	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3cccc(Cl)c3"	0	NA	NA	1	1	"459277959"	NA
"810561"	810561	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)cc3"	0	NA	NA	1	1	"459278497"	NA
"810562"	810562	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)c(Cl)c3"	0	NA	NA	1	1	"459277939"	NA
"810563"	810563	NA	"COC(=O)c1c(C)[n+]([O-])cc2C(=O)C=CC(=O)c12"	0	NA	NA	1	1	"459276865"	NA
"810698"	810698	NA	"COc1ccc(\C=C\C(=O)c2ccc(cc2)n3cc(CN4CCN(CC4)c5cc6N(C=C(C(=O)O)C(=O)c6cc5F)C7CC7)nn3)cc1OC"	0	NA	NA	1	1	"459278209"	NA
"810715"	810715	NA	"CC(C)(C#N)c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	2	2	"459277396"	NA
"810716"	810716	NA	"Cc1cc(cc(c1)C(C)(C)C#N)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	2	2	"459277693"	NA
"810717"	810717	"CG-806"	"Cc1cnc([nH]1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5cccc(c5)C(F)(F)F)cc4F"	0	"PK:BTK"	"Clinical trial"	2	2	"-1"	NA
"810734"	810734	NA	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(=O)c5ccccc5"	0	NA	NA	1	1	"459277747"	NA
"810735"	810735	NA	"Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	"459278028"	NA
"810736"	810736	NA	"Cc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)cc1"	0	NA	NA	2	1	"459277477"	NA
"811013"	811013	NA	"C[Se]C(=O)CC1=C2C=C(F)C=CC2\C(=C/c3ccc(cc3)S(=O)C)\C1C"	0	NA	NA	2	2	"459278288"	NA
"811085"	811085	NA	"Fc1cccc(c1)c2nc3occn3c2c4ccnc(NCCCNS(=O)(=O)c5cccc6ccccc56)n4"	0	NA	NA	1	1	"459278564"	NA
"811097"	811097	NA	"CCCC(=O)NC(c1ccc2OCOc2c1)c3ccc4cccnc4c3O"	0	NA	NA	1	1	"459278561"	NA
"811099"	811099	NA	"CCn1cc(C2NC(=O)c3cc(F)ccc3N2)c4cccc(Cl)c14"	0	NA	NA	2	2	"459278020"	NA
"811100"	811100	NA	"O=C1c2cccnc2C(=O)c3nc4cc(ccc4nc13)N5CCN(CC5)C6CC6"	0	NA	NA	2	2	"459277474"	NA
"811105"	811105	NA	"Fc1cc(F)cc(NCC2=CC(=O)Nc3cc(I)ccc23)c1"	0	NA	NA	2	2	"459277757"	NA
"811107"	811107	NA	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nc3cc(ccc3[nH]2)N4CCN(CCO)CC4"	0	NA	NA	1	1	"459278019"	NA
"811109"	811109	NA	"CCn1cc(C2NC(=O)c3ccccc3N2)c4cccc(C)c14"	0	NA	NA	2	2	"459276925"	NA
"811111"	811111	NA	"Nc1ncc(cc1C(F)(F)F)c2ccc3ncnc(N4CCc5ccc(Cl)cc45)c3c2"	0	NA	NA	1	1	"461483311"	NA
"811127"	811127	NA	"COc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"459277139"	NA
"811132"	811132	NA	"COc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(Cl)cc5)n4"	0	NA	NA	1	1	"459277426"	NA
"811133"	811133	NA	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"459277429"	NA
"811135"	811135	NA	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"459278806"	NA
"811137"	811137	NA	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(Cl)cc5)n4"	0	NA	NA	1	1	"459277972"	NA
"811140"	811140	NA	"CCN1CCN(CCNc2nccc(n2)c3c(nc4occn34)c5ccc(F)c(O)c5)S1(=O)=O"	0	NA	NA	1	1	"459278519"	NA
"811161"	811161	NA	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)OC(C)(C)C)cc1"	0	NA	NA	2	2	"459276884"	NA
"811165"	811165	NA	"Cc1ccc(C)c(\C=C\2/CN(C\C(=C/c3cc(C)ccc3C)\C2=O)C(=O)OC(C)(C)C)c1"	0	NA	NA	1	1	"459278807"	NA
"811189"	811189	NA	NA	0	NA	NA	1	1	"459277715"	NA
"811245"	811245	NA	"COc1ccccc1N2CCN(CC2)C3=NN=C(c4cccc(Cl)c4)c5ccccc5C3"	0	NA	NA	2	1	"484468204"	NA
"811246"	811246	NA	"CCN(CC)CCCC(C)Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	"461663184"	NA
"811258"	811258	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	"459328261"	NA
"811259"	811259	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	2	2	"459328275"	NA
"811260"	811260	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	"459328162"	NA
"811261"	811261	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4C"	0	NA	NA	2	2	"459328210"	NA
"811262"	811262	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(OC)c4"	0	NA	NA	1	1	"459328143"	NA
"811264"	811264	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(Br)cc4"	0	NA	NA	1	1	"459328286"	NA
"811265"	811265	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4"	0	NA	NA	2	2	"459328202"	NA
"811266"	811266	NA	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccc(OC)cc4)cc1"	0	NA	NA	1	1	"459328250"	NA
"811267"	811267	NA	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	"459328198"	NA
"811268"	811268	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(C)cc4"	0	NA	NA	1	1	"459328212"	NA
"811272"	811272	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	1	1	"459328176"	NA
"811273"	811273	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C"	0	NA	NA	2	2	"459328282"	NA
"811274"	811274	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4C"	0	NA	NA	2	2	"459328281"	NA
"811275"	811275	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(OC)c4"	0	NA	NA	2	2	"459328277"	NA
"811276"	811276	NA	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	"459328193"	NA
"811280"	811280	NA	"Clc1nc(N2CCOCC2)c3nc(COC(=O)NCCN4CCOCC4)[nH]c3n1"	0	NA	NA	1	1	"459328133"	NA
"811281"	811281	NA	"Clc1nc(N2CCOCC2)c3nc(COC(=O)NCCc4ccccn4)[nH]c3n1"	0	NA	NA	1	1	"459328259"	NA
"811282"	811282	NA	"CC1CCN(CC1)C(=O)OCc2nc3c(nc(Cl)nc3[nH]2)N4CCOCC4"	0	NA	NA	1	1	"459328263"	NA
"811285"	811285	NA	"Clc1nc(N2CCOCC2)c3nc(COC(=O)n4ccnc4)[nH]c3n1"	0	NA	NA	1	1	"459328183"	NA
"811289"	811289	NA	"NC(=O)c1cccc(c1)c2cc(ccc2Cl)C(=O)N"	0	NA	NA	1	1	"459328206"	NA
"811291"	811291	NA	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccc(I)c3"	0	NA	NA	2	2	"459328177"	NA
"811293"	811293	NA	"COc1ccccc1Nc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4"	0	NA	NA	1	1	"459328164"	NA
"811294"	811294	NA	"COc1cc(Nc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4)cc(OC)c1"	0	NA	NA	2	2	"459328119"	NA
"811295"	811295	NA	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(NC(=O)COc6cc(OCC(=O)Nc7cc8c(cc7OC)N(C)[C@@H]9[C@@](O)([C@@H](OC(=O)C)[C@@]%10(CC)C=CCN%11CC[C@@]89[C@@H]%10%11)C(=O)OC)c%12C(=O)C=C(Oc%12c6)c%13ccccc%13)cc45)[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	NA	NA	1	1	"459328123"	NA
"811299"	811299	NA	"ClCC(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C#C)cc1"	0	NA	NA	1	1	"459328287"	NA
"811429"	811429	"BLU-667"	"CO[C@@]1(CC[C@@H](CC1)c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C(=O)N[C@@H](C)c4ccc(nc4)n5cc(F)cn5"	0	"PK:RET"	"FDA approved"	1	1	"-1"	"2097132948"
"811570"	811570	NA	"FC(F)(F)c1ccccc1N2N=Nc3c(ccc4C(=O)c5ccccc5C(=O)c34)C2=O"	0	NA	NA	1	1	"459637012"	NA
"811659"	811659	NA	"ONC(=O)CCCSc1nc(cc(n1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"459636863"	NA
"811662"	811662	NA	"COc1ccc(cc1)c2cc(nc(SCCCC(=O)NO)n2)c3ccccc3"	0	NA	NA	2	1	"459636926"	NA
"811664"	811664	NA	"COc1ccc(cc1)c2cc(nc(SCCCC(=O)NO)n2)c3ccc(Cl)cc3"	0	NA	NA	2	1	"459636857"	NA
"811720"	811720	NA	"CC[C@H]([C@@H]1CC[C@@H](C)[C@H](O1)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	NA	NA	2	2	"459636974"	"53003104"
"811721"	811721	NA	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)C(=O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	NA	NA	2	2	"459637051"	NA
"811819"	811819	NA	"ClC(Cl)c1nc(c2ccccc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	"459636758"	NA
"811821"	811821	NA	"Cc1cc2nc(nc(c3ccc(Cl)cc3)n2n1)C(Cl)Cl"	0	NA	NA	2	1	"459636755"	NA
"811822"	811822	NA	"ClC(Cl)c1nc(c2ccc(Cl)cc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	"459636744"	NA
"811823"	811823	NA	"Cc1ccc(cc1)c2nc(nc3cc(C)nn23)C(Cl)Cl"	0	NA	NA	1	1	"459636851"	NA
"811825"	811825	NA	"Cc1cc2nc(nc(c3ccccc3)n2n1)C(Cl)Cl"	0	NA	NA	1	1	"459637004"	NA
"811878"	811878	NA	"Cc1ccc(cc1)c2oc(c(n2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5)S(=O)(=O)c6ccc(C)cc6"	0	NA	NA	1	1	"459636965"	NA
"811894"	811894	NA	"CC1CN(CC(C)O1)S(=O)(=O)c2oc(nc2C#N)c3ccc(Cl)cc3"	0	NA	NA	1	1	"459636972"	NA
"811895"	811895	NA	"CCOC(=O)N1CCN(CC1)S(=O)(=O)c2oc(nc2C#N)c3ccc(Cl)cc3"	0	NA	NA	1	1	"459636970"	NA
"811896"	811896	NA	"Fc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)N3CCCCC3"	0	NA	NA	1	1	"459636807"	NA
"811897"	811897	NA	"Fc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)N3CCOCC3"	0	NA	NA	1	1	"459636858"	NA
"811953"	811953	"IACS-8968"	"CC1(C)CN(CCC12NC(=O)NC2=O)c3cc(cc4cncn34)C(F)(F)F"	0	"IDO1"	"Clinical trial"	1	1	"-1"	"2144425147"
"811975"	811975	NA	"CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCO)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12"	0	NA	NA	2	1	"459636831"	NA
"812015"	812015	NA	"CC1=C(C(c2ccc3OCOc3c2)n4c(N1)nc5ccccc45)C(=O)OCc6ccccc6"	0	NA	NA	2	2	"459636996"	NA
"812042"	812042	NA	"CN1CCN(CC1)C(=O)OCc2nc3c(nc(Cl)nc3n2C)N4CCOCC4"	0	NA	NA	1	1	"461439086"	NA
"812044"	812044	NA	"Cn1c(COC(=O)NCCc2ccccn2)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	1	1	"461439099"	NA
"812047"	812047	NA	"CN1CCN(CC1)C(=O)OCc2nc3c(nc(nc3n2C)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	"461439098"	NA
"812048"	812048	NA	"CN(C)C(=O)OCc1nc2c(nc(nc2n1C)c3ccccc3)N4CCOCC4"	0	NA	NA	2	2	"461439100"	NA
"812049"	812049	NA	"Cn1c(COC(=O)NCCn2ccnc2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	"461439134"	NA
"812050"	812050	NA	"Cn1c(COC(=O)N2CCCCC2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	"461439096"	NA
"812051"	812051	NA	"Cn1c(COC(=O)NCCN2CCOCC2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	1	1	"461439071"	NA
"812052"	812052	"CH-7057288"	"Cc1cc(cc(n1)C#Cc2ccc3c4C(=O)c5ccc(NS(=O)(=O)C)cc5C(C)(C)c4oc3c2)C(=O)NC(C)(C)C"	0	""	"Clinical trial"	1	1	"-1"	"2095616821"
"812056"	812056	NA	"OCCNCc1ccc(cc1)C(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	1	1	"461439113"	NA
"812059"	812059	NA	"CN(C)CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(C)c4)c(Cl)c3)c2c1"	0	NA	NA	1	1	"461439038"	NA
"812061"	812061	NA	"FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4ccc(OCCCN5CCOCC5)cc34)cc2Cl)c1"	0	NA	NA	1	1	"461439111"	NA
"812062"	812062	NA	"CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(Oc5cccc(c5)C(F)(F)F)c(Cl)c4)c3c2)CC1"	0	NA	NA	1	1	"461439136"	NA
"812065"	812065	NA	"C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN2CCN(CC2)c3cnc(cn3)C(=O)Nc4cc(C)cc5cccnc45)C(C)(C)C)c6ccc(cc6)c7scnc7C"	0	NA	NA	1	1	"461439141"	NA
"812067"	812067	NA	"CN1CCN(CC1)c2cc(F)c(NC3=C(Cl)C(=O)c4ncccc4C3=O)c(F)c2"	0	NA	NA	1	1	"461439075"	NA
"812068"	812068	NA	"CN1CCN(CC1)c2ccc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2C#N"	0	NA	NA	1	1	"461439092"	NA
"812069"	812069	NA	"CN1CCN(CC1)c2c(F)cc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2F"	0	NA	NA	1	1	"461439050"	NA
"812112"	812112	NA	"COc1ccncc1C#Cc2cncc(c2)C(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F"	0	NA	NA	1	1	"461439125"	NA
"812119"	812119	NA	"C[C@@H]1CN(Cc2ccc(\C=C\c3n[nH]c4ccc5nc(c6CCCCc6c5c34)c7c[nH]nc7C(F)(F)F)cc2)C[C@H](C)O1"	0	NA	NA	1	1	"461439044"	NA
"812160"	812160	NA	"CC(=O)c1c[nH]c2ccc(cc12)c3ccnc(Nc4ccc(NC(=O)C5CCCC5)c(CN6CCOCC6)c4)n3"	0	NA	NA	2	2	"461439045"	NA
"812161"	812161	NA	"CC(=O)c1c[nH]c2ccc(cc12)c3ccnc(Nc4ccc(NC(=O)c5cccc(F)c5)c(CN6CCOCC6)c4)n3"	0	NA	NA	2	1	"461439080"	NA
"812162"	812162	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(=O)C)c4c5ccccc5"	0	NA	NA	1	1	"461439074"	NA
"812172"	812172	"ARS-1620"	"Oc1cccc(F)c1c2c(Cl)cc3c(ncnc3c2F)N4CCN(CC4)C(=O)C=C"	0	"KRAS"	"Clinical trial"	1	1	"-1"	NA
"812201"	812201	NA	"CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)N(C)C(=O)[C@H](CC(C)C)NC1=O"	0	NA	NA	2	2	"461477585"	NA
"812228"	812228	NA	"COc1cccc(CCC(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)c1"	0	NA	NA	2	2	"461477671"	NA
"812292"	812292	NA	"Clc1ccc(Cn2cc(C=O)c3ccccc23)cc1"	0	NA	NA	2	2	"461477611"	NA
"812346"	812346	NA	"COc1ccccc1S(=O)(=O)Nc2ccc3N(C)C(=O)c4cc(CCC(=O)NCCCCNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc2c34"	0	NA	NA	2	2	"461483324"	NA
"812347"	812347	NA	"COc1cc(cc(OC)c1OC)c2ccc(s2)c3ccc(cc3)C(=N)N"	0	NA	NA	1	1	"461483274"	NA
"812353"	812353	NA	"NC(=N)c1ccc(nc1)c2ccc(s2)c3ccc(F)cc3"	0	NA	NA	1	1	"461483358"	NA
"812381"	812381	NA	"CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c2ccc(O)cc2O"	0	NA	NA	2	1	"461483247"	NA
"812383"	812383	NA	"C\C(=N/NC(=O)c1ccc(cc1)C(C)(C)C)\c2ccc(O)cc2O"	0	NA	NA	2	1	"461483265"	NA
"812408"	812408	NA	"Fc1ccc(\C=N\NC(=O)CSC2=Nc3sc4CCCCCc4c3C(=O)N2c5ccccc5)cc1"	0	NA	NA	1	1	"461483321"	NA
"812412"	812412	NA	"CN(C)c1ccc(\C=N\NC(=O)CSC2=Nc3sc4CCCCCc4c3C(=O)N2c5ccccc5)cc1"	0	NA	NA	1	1	"461483303"	NA
"812415"	812415	"ABBV-744"	"CCNC(=O)c1cc2C(=CN(C)C(=O)c2[nH]1)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O"	0	""	"Clinical trial"	1	1	"-1"	"2138861999"
"812539"	812539	NA	"ClCC(=O)N1CCCCC1C(=O)Nc2cccc(c2)C#C"	0	NA	NA	1	1	"461502640"	NA
"812654"	812654	NA	"Clc1cc(Nc2ccnc(Nc3ccc(O[C@H]4CO[C@@H]5[C@H](CO[C@H]45)OCC=C)c(Cl)c3)n2)ccc1O[C@H]6CO[C@@H]7[C@H](CO[C@H]67)OCC=C"	0	NA	NA	1	1	"461593881"	NA
"812690"	812690	NA	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(COC(=O)C(C)c4ccc(CC(C)C)cc4)cc3)C2=O"	0	NA	NA	1	1	"461593956"	NA
"812691"	812691	NA	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)\C=C/C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	2	2	"461593884"	NA
"812692"	812692	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(CCCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	2	2	"461593869"	NA
"812693"	812693	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccc(Cl)cc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	2	2	"461593906"	NA
"812694"	812694	NA	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(CNC(=O)\C=C/C(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)cc3)C2=O"	0	NA	NA	2	2	"461593967"	NA
"812695"	812695	NA	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccc(cc5)C#N)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	2	2	"461593915"	NA
"812715"	812715	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(cc3)S(F)(F)(F)(F)F"	0	NA	NA	1	1	"461593957"	NA
"812727"	812727	"relacorilant"	"Cn1cc(cn1)S(=O)(=O)N2CCC3=Cc4c(C[C@@]3(C2)C(=O)c5cc(ccn5)C(F)(F)F)cnn4c6ccc(F)cc6"	0	""	"Clinical trial"	1	1	"-1"	"1496510510"
"812728"	812728	"AZD-4320"	"CN(CCO)CC[C@H](CSc1ccccc1)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)[C@@H](O)c5ccccc5c6ccc(Cl)cc6"	0	""	"Clinical trial"	2	2	"-1"	"1357576487"
"812730"	812730	NA	"Cn1cc(cn1)c2ccc3nc(cnc3c2)c4ccc(CC(=O)Nc5onc(c5)C(C)(C)C)cc4"	0	NA	NA	2	2	"461593859"	NA
"812731"	812731	NA	"CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)c3cnc4cc(ccc4n3)c5cnn(CCN6CCOCC6)c5)c1"	0	NA	NA	2	2	"461593934"	NA
"812734"	812734	NA	"Cn1cc(cn1)c2ccc3ncc(cc3c2)c4ccc(CC(=O)Nc5cc(nn5C)C(C)(C)C)cc4"	0	NA	NA	1	1	"461593929"	NA
"812736"	812736	NA	"CN(C)CCn1cc(cn1)c2ccc3c(Nc4ccc(CC(=O)Nc5cccc(F)c5)cc4)ncnc3c2"	0	NA	NA	1	1	"461593917"	NA
"812737"	812737	NA	"CC(C)c1ccc(NC(=O)Cc2ccc(Nc3ncnc4cc(ccc34)c5cnn(CCN(C)C)c5)cc2)cc1"	0	NA	NA	1	1	"461593972"	NA
"812738"	812738	NA	"COc1ccc(Cn2cnc3cc(ccc23)C(=O)Nc4cccc5ccccc45)c(OC)c1"	0	NA	NA	2	2	"461593949"	NA
"812834"	812834	NA	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1OC"	0	NA	NA	1	1	"461650714"	NA
"812835"	812835	NA	"COc1cc(OC)cc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	"461650772"	NA
"812836"	812836	NA	"Oc1ccc2OC\C(=C/c3ccccc3[N+](=O)[O-])\C(=O)c2c1O"	0	NA	NA	2	2	"461650713"	NA
"812837"	812837	NA	"Oc1ccc2OC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)c2c1O"	0	NA	NA	1	1	"461650688"	NA
"812843"	812843	NA	"COc1cccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1OC"	0	NA	NA	1	1	"461650777"	NA
"812845"	812845	NA	"COc1ccc(OC)c(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	"461650764"	NA
"812858"	812858	NA	"CCOc1cc(ccc1C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC#Cc4cccc5C(=O)N(Cc45)[C@@H]6CCC(=O)NC6=O)CC3)c7ccc(Cl)cc7)c8ccc(Cl)cc8)C(C)(C)C"	0	NA	NA	2	2	"461650671"	NA
"812902"	812902	NA	"CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5"	0	NA	NA	1	1	"440806897"	"1642297015"
"812926"	812926	"TAS-6417"	"CC1=C[C@@H](Cn2c1c(c3cnc4ccccc4c3)c5c(N)ncnc25)NC(=O)C=C"	0	"PK:EGFR"	"Clinical trial"	2	2	"-1"	"1661854972"
"812927"	812927	"PF-06873600"	"C[C@@]1(O)CCC[C@H]1N2C(=O)C(=Cc3cnc(NC4CCN(CC4)S(=O)(=O)C)nc23)C(F)F"	0	"PK:CDK"	"Clinical trial"	1	1	"-1"	"2185857978"
"812928"	812928	"IDH-305"	"C[C@H](F)[C@H]1COC(=O)N1c2ccnc(N[C@@H](C)c3cc(C)c(cn3)c4ccnc(c4)C(F)(F)F)n2"	0	"IDH1"	"Clinical trial"	1	1	"-1"	"1628805468"
"812940"	812940	NA	"NCCCNc1nc2ccccc2c3C(=O)c4cccc(F)c4Sc13"	0	NA	NA	1	1	"461663120"	NA
"812942"	812942	NA	"Oc1ccc(cc1C(=O)Nc2cccc(c2)C#N)c3ccc(F)cc3F"	0	NA	NA	1	1	"461663091"	NA
"812946"	812946	NA	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	"461663208"	NA
"812947"	812947	NA	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	"461663153"	NA
"812948"	812948	NA	"Oc1ccc(I)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	"461663171"	NA
"813000"	813000	NA	"COc1cccc2C(=O)c3c(Sc12)c(nc4ccccc34)N5CCNCC5"	0	NA	NA	1	1	"461663125"	NA
"813059"	813059	NA	"O[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc3ccc(Nc4ncc(F)c(Oc5ccc(cc5Cl)[N+](=O)[O-])n4)cc3Cl"	0	NA	NA	1	1	"461663174"	NA
"813098"	813098	NA	"COc1ccc(\C=C(\C#N)/n2nnc3cccc(F)c23)cc1"	0	NA	NA	1	1	"461663203"	NA
"813202"	813202	NA	"CC(C)(C)C(=O)OCOP(=O)(NCc1ccccc1)C2CCCN(O)C2=O"	0	NA	NA	1	1	"462729907"	NA
"813203"	813203	"Colchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	2	2	"462729899"	"64868"
"813204"	813204	NA	"COC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729906"	NA
"813205"	813205	"Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-"	"CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729903"	NA
"813206"	813206	NA	"CCCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729917"	NA
"813207"	813207	NA	"COc1c(Cl)c2CC[C@H](NC(=O)OCC(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	NA	NA	2	2	"462729885"	NA
"813208"	813208	NA	"CCOC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729886"	NA
"813209"	813209	NA	"COC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729908"	NA
"813210"	813210	NA	"CCCOC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729902"	NA
"813211"	813211	NA	"COC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729890"	NA
"813212"	813212	NA	"CCCOC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	"462729895"	NA
"813353"	813353	NA	"Cc1ccc(\C=C(\C#N)/n2nnc3cccc(F)c23)cc1"	0	NA	NA	2	1	"462729887"	NA
"813380"	813380	"AZD-3229"	"COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1"	0	""	"Clinical trial"	1	1	"-1"	"2248003601"
"813428"	813428	NA	"CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]3[C@@H](Cc4ccccc34)OCC#CC#CCO[C@@H]5Cc6ccccc6[C@@H]5NC(=O)[C@H]7N8[C@H](CC7(C)C)SCC[C@H](NC(=O)[C@H](C)NC)C8=O"	0	NA	NA	2	2	"462764969"	NA
"813435"	813435	NA	"C[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	"462764964"	NA
"813456"	813456	NA	"Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(Br)cn3"	0	NA	NA	2	2	"462764977"	NA
"813457"	813457	NA	"CN1CCN(CC1)c2ccc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2C(F)(F)F"	0	NA	NA	1	1	"462764931"	NA
"813459"	813459	NA	"FC(F)(F)C1(CC1)c2ccc(NS(=O)(=O)c3ccc4nc(NC(=O)c5cnccn5)[nH]c4c3)cc2"	0	NA	NA	1	1	"462764962"	NA
"813460"	813460	NA	"Cc1cnc(cn1)C(=O)Nc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc4ccc(cc4)C(C)(C)C"	0	NA	NA	2	2	"462764929"	NA
"813461"	813461	NA	"CC(C)(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(NC(=O)c4cnccn4)nc3c2)cc1"	0	NA	NA	1	1	"462764966"	NA
"813462"	813462	NA	"Cc1cnc(cn1)C(=O)Nc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc4ccc(cc4)C5(CC5)C(F)(F)F"	0	NA	NA	2	2	"462764946"	NA
"813463"	813463	NA	"CC1CCCc2sc3N=C(NNC(=O)c4cnccn4)N(C(=O)c3c12)c5ccccc5"	0	NA	NA	2	2	"462764967"	NA
"813475"	813475	NA	"O=C(NCc1ccccc1)Nc2sc3CCCCc3c2C#N"	0	NA	NA	2	2	"462764927"	NA
"813476"	813476	NA	"O=C(NCc1ccccc1)Nc2sc3CCCCCc3c2C#N"	0	NA	NA	2	2	"462764942"	NA
"813488"	813488	"futibutinib"	"COc1cc(OC)cc(c1)C#Cc2nn([C@H]3CCN(C3)C(=O)C=C)c4ncnc(N)c24"	0	"PK:FGFR"	"Clinical trial"	1	1	"-1"	"1448169718"
"813494"	813494	NA	"CC1(C)CC(O)CCCCCCOc2c(CN)cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S1(=O)=O"	0	NA	NA	2	2	"462764902"	NA
"813495"	813495	NA	"O=C(CCN1CCCC1)Nc2ccc3c(Nc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	"462764973"	NA
"813498"	813498	NA	"CN(C)c1ccc(Nc2c3ccccc3nc4cc(NC(=O)CCN5CCCC5)ccc24)cc1"	0	NA	NA	2	2	"462764941"	NA
"813499"	813499	NA	"O=C(CCN1CCCC1)Nc2ccc3c(NCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	"462764899"	NA
"813501"	813501	NA	"Fc1ccc(CNc2c3ccccc3nc4cc(NC(=O)CCN5CCCC5)ccc24)cc1"	0	NA	NA	2	2	"462764911"	NA
"813502"	813502	NA	"O=C(CCN1CCCC1)Nc2ccc3c(NCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	"462764901"	NA
"813503"	813503	NA	"O=C(CCN1CCCC1)Nc2ccc3c(NCCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	1	1	"462764974"	NA
"813504"	813504	NA	"O=C(CCN1CCCC1)Nc2ccc3c(NCCCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	1	1	"462764916"	NA
"813553"	813553	NA	NA	0	NA	NA	2	2	"463575644"	NA
"813644"	813644	NA	"CC(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C(=O)N"	0	NA	NA	2	2	"463575772"	NA
"813647"	813647	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccc(c3)C(F)(F)F"	0	NA	NA	2	2	"463575729"	NA
"813649"	813649	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccs3"	0	NA	NA	1	1	"463575687"	NA
"813650"	813650	NA	"CC(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	2	"463575735"	NA
"813651"	813651	NA	"CC(C)c1ccc(cc1)C(=O)Nc2nc3ccc(O)cc3s2"	0	NA	NA	1	1	"463575739"	NA
"813835"	813835	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3nc4ccccc4[nH]3"	0	NA	NA	1	1	"463788906"	NA
"813862"	813862	"Lapachone"	"CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O"	0	"TOP2|TOP1"	"Clinical trial"	1	1	"-1"	"4707328"
"813869"	813869	NA	"CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"463788903"	NA
"813871"	813871	NA	"CN(C)C1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"463788818"	NA
"813873"	813873	NA	"CN(C)Cc1ccc(NC(=O)c2cncc(c2)C#Cc3cnc(N)c4ncccc34)cc1F"	0	NA	NA	1	1	"463788910"	NA
"813875"	813875	NA	"CN(C)Cc1ccc(NC(=O)c2cncc(c2)C#Cc3cnc(N)c4ncccc34)cc1C(F)(F)F"	0	NA	NA	1	1	"463788881"	NA
"813876"	813876	NA	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"463788899"	NA
"813877"	813877	NA	"CN(C)CCNC(=O)c1ccc(cc1)c2nc3ccc4[nH]ncc4c3c5C6CCC(C6)c25"	0	NA	NA	2	2	"463788912"	NA
"813896"	813896	NA	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc5c6ccc(c7cccc(c8cccc4c58)c67)[P+](c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	1	1	"463788829"	NA
"813901"	813901	NA	"CN1CCN(CC1)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc(c2)C(F)(F)F"	0	NA	NA	1	1	"463788892"	NA
"813991"	813991	NA	"CN1CCN(CCOc2ccc(cc2)c3cnc4c(cnn4c3)c5cccc(F)c5F)CC1"	0	NA	NA	1	1	"463821106"	NA
"814025"	814025	"LSZ-102"	"CC(F)(F)c1cc(F)ccc1c2sc3cc(O)ccc3c2Oc4ccc(\C=C\C(=O)O)cc4"	0	"SERD"	"Clinical trial"	1	1	"-1"	"2135600767"
"814062"	814062	NA	"Cc1ccc(cc1)c2oc(N3CCOCC3)c(n2)[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	"463960375"	NA
"814066"	814066	NA	"CCSc1oc(nc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	2	2	"463960385"	NA
"814068"	814068	NA	"CCSc1sc(nc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c5ccc(C)cc5"	0	NA	NA	2	1	"463960505"	NA
"814071"	814071	NA	"C1CN(CCO1)c2oc(nc2[P+](c3ccccc3)(c4ccccc4)c5ccccc5)c6ccccc6"	0	NA	NA	2	2	"463960436"	NA
"814243"	814243	NA	"COc1ccc(CNC(=O)COc2ccc(\C=N\NC3=NC4C=CC=CC4=[S+]3)cc2)cc1"	0	NA	NA	1	1	"463960485"	NA
"814283"	814283	NA	"COc1ccc2OC34Oc5ccc(OC)cc5C=C3CSCC4=Cc2c1"	0	NA	NA	2	2	"463986486"	NA
"814340"	814340	NA	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccccc5)cc(CN6CCCC6)c1O"	0	NA	NA	1	1	"463986455"	NA
"814343"	814343	NA	"CC1(O)COCCCCOc2c(CN)cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)(C)C1"	0	NA	NA	2	2	"463986435"	NA
"814484"	814484	NA	"NCCOc1ncccc1\C=C\2/c3ccccc3c4ccc(F)cc24"	0	NA	NA	2	1	"463986530"	NA
"814485"	814485	NA	"NCCOc1ncccc1\C=C\2/c3ccccc3c4ccc(cc24)[N+](=O)[O-]"	0	NA	NA	2	2	"463986480"	NA
"814541"	814541	NA	"Oc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	1	1	"464014032"	NA
"814590"	814590	NA	"Fc1cccc(COc2ccc(Nc3ncnc4onc(c5ccccc5)c34)cc2)c1"	0	NA	NA	2	2	"464014078"	NA
"814598"	814598	NA	"Fc1ccc(Cn2cc(CN3C(=O)C(=Cc4ccccc34)c5nc6ccccc6[nH]5)nn2)cc1"	0	NA	NA	2	2	"464013980"	NA
"814602"	814602	NA	"COc1ccc(Cn2cc(CN3C(=O)C(=Cc4ccccc34)c5nc6ccccc6[nH]5)nn2)c(OC)c1OC"	0	NA	NA	2	2	"464013990"	NA
"815038"	815038	NA	"COc1cc2nc(NC3CCC3)nc(NC4CCN(CC4)C(C)C)c2cc1OC"	0	NA	NA	1	1	"464014124"	NA
"815062"	815062	NA	"COc1ccc(cc1OC)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	2	2	"464113157"	NA
"815063"	815063	NA	"COc1cccc(c1)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	1	1	"464113163"	NA
"815065"	815065	NA	"COc1cc(cc(OC)c1OC)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	2	2	"464113175"	NA
"815066"	815066	NA	"Cn1c(\C=C(/C#N)\c2cccc(c2)C(F)(F)F)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	2	2	"464113122"	NA
"815067"	815067	NA	"Cn1c(\C=C(/C#N)\c2ccccc2)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	2	1	"464113164"	NA
"815078"	815078	NA	"Fc1ccc2Sc3c(Nc4ccncc4)nc5ccccc5c3C(=O)c2c1"	0	NA	NA	1	1	"464113152"	NA
"815082"	815082	NA	"NCCNc1nc2ccccc2c3C(=O)c4cc(F)cc(Cl)c4Sc13"	0	NA	NA	1	1	"464113144"	NA
"815086"	815086	NA	"Cc1cccc2C(=O)c3c(Sc12)c(NCCN)nc4ccccc34"	0	NA	NA	2	1	"464113126"	NA
"815093"	815093	NA	"Fc1cc(Br)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	1	"464113156"	NA
"815101"	815101	NA	"CCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	1	1	"464113124"	NA
"815104"	815104	NA	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	2	1	"464113120"	NA
"815105"	815105	NA	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OC)c(OC)c6"	0	NA	NA	2	2	"464113160"	NA
"815106"	815106	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	1	1	"464113159"	NA
"815330"	815330	NA	"CC[C@@]12CC(=C3Nc4cc5O[C@@H]6[C@@H](O)[C@@]7(CC)CC(=C8Nc9ccccc9[C@@]8%10CCN([C@@H]6c5cc4[C@@]3%11CCN(CC=C1)[C@@H]2%11)[C@@H]7%10)C(=O)OC)C(=O)OC"	0	NA	NA	2	2	"464113134"	NA
"815336"	815336	NA	"CC(=O)O[C@@H]1C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C[C@@]1(C)CO"	0	NA	NA	2	1	"464113188"	NA
"815369"	815369	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(Br)cc3"	0	NA	NA	1	1	"464868751"	NA
"815370"	815370	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)c(F)c3"	0	NA	NA	1	1	"464868702"	NA
"815386"	815386	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccccc3)C(=O)c12"	0	NA	NA	2	2	"464868816"	NA
"815387"	815387	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)c(F)c3)C(=O)c12"	0	NA	NA	2	2	"464868669"	NA
"815401"	815401	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)cc3)C(=O)c12"	0	NA	NA	2	1	"464868820"	NA
"815402"	815402	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(Cl)cc3)C(=O)c12"	0	NA	NA	2	2	"464868884"	NA
"815403"	815403	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3cccc(Cl)c3)C(=O)c12"	0	NA	NA	2	2	"464868754"	NA
"815404"	815404	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)c(Cl)c3)C(=O)c12"	0	NA	NA	2	2	"464868727"	NA
"815405"	815405	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3cccc(OC)c3)C(=O)c12"	0	NA	NA	2	1	"464868847"	NA
"815504"	815504	NA	"O=C(NC(=S)Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccc5ccccc5c4"	0	NA	NA	1	1	"464868720"	NA
"815507"	815507	NA	"CC(=N[Pt]1(Cl)NCCCN1)N2CCC[C@H](C2)Nc3c4ccccc4nc5ccccc35"	0	NA	NA	2	2	"464868697"	NA
"815557"	815557	NA	"O=C(\C=C\C12C3C(C(c4ccccc14)c5ccccc25)C(=O)N(C3=O)c6ccccc6)c7ccccc7"	0	NA	NA	1	1	"464868887"	NA
"815561"	815561	NA	"Clc1ccc(cc1)N2C(=O)C3C4c5ccccc5C(\C=C\C(=O)c6ccccn6)(C3C2=O)c7ccccc47"	0	NA	NA	2	1	"464868700"	NA
"815562"	815562	NA	"O=C(\C=C\C12C3C(C(c4ccccc14)c5ccccc25)C(=O)N(C3=O)c6ccc(cc6)C(=O)c7ccccc7)c8ccccn8"	0	NA	NA	2	1	"464868763"	NA
"815942"	815942	NA	"Brc1ccc(\C=C(/C#N)\n2nnc3ccccc23)cc1"	0	NA	NA	2	2	"464868766"	NA
"815943"	815943	NA	"N#C\C(=C/c1ccc2OCOc2c1)\n3nnc4ccccc34"	0	NA	NA	1	1	"464868689"	NA
"815944"	815944	NA	"COc1ccc(\C=C(/C#N)\n2nnc3ccccc23)cc1"	0	NA	NA	2	2	"464868799"	NA
"815962"	815962	NA	"NC(=N)c1ccc(cc1)c2ccc(\C=C\c3ccccc3)s2"	0	NA	NA	1	1	"464868656"	NA
"815966"	815966	NA	"NC(=N)c1ccc(nc1)c2oc(cc2)c3ccc(Cl)c(Cl)c3"	0	NA	NA	1	1	"464868777"	NA
"816001"	816001	NA	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(CP4(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	1	"464868776"	NA
"816002"	816002	NA	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(c5ccccc5)(c6ccccc6)c7ccccc7P4(c8ccccc8)c9ccccc9"	0	NA	NA	2	1	"464868808"	NA
"816003"	816003	NA	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(CCP4(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	"464868803"	NA
"816005"	816005	NA	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(C(P(c5ccccc5)c6ccccc6)P4(c7ccccc7)c8ccccc8)(c9ccccc9)c%10ccccc%10"	0	NA	NA	1	1	"464868742"	NA
"816024"	816024	NA	"Cc1onc(C)c1c2ccc3NC(=O)N4[C@H](COc2c34)c5ccccn5"	0	NA	NA	2	2	"440815726"	"1628607646"
"816055"	816055	NA	"CC(C)(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C(=O)N"	0	NA	NA	2	2	"464932824"	NA
"816083"	816083	NA	"O=C(NCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	"464932788"	NA
"816084"	816084	NA	"O=C(NCCOCCOCCNc1cccc2C(=O)N(C3CCCNC3=O)C(=O)c12)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	"464932752"	NA
"816085"	816085	NA	"O=C(NCCN1CCC(CCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1)c5oc6C(=O)c7ccccc7C(=O)c6c5"	0	NA	NA	2	2	"464932874"	NA
"816086"	816086	NA	"O=C(CC12CC3CC(CC(C3)C1)C2)NCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	"464932815"	NA
"816087"	816087	NA	"O=C(CC12CC3CC(CC(C3)C1)C2)NCCOCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	"464932805"	NA
"816088"	816088	NA	"O=C(NCCOCCOCCOCCNC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1)NC45CC6CC(CC(C6)C4)C5"	0	NA	NA	1	1	"464932849"	NA
"816089"	816089	NA	"CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4)c3C2=O)C1=O"	0	NA	NA	1	1	"464932833"	NA
"816090"	816090	NA	"OC1CCN(CCNC(=O)c2oc3C(=O)c4ccccc4C(=O)c3c2)CC1"	0	NA	NA	2	2	"464932784"	NA
"816091"	816091	NA	"O=C(NCCCC#Cc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	"464932799"	NA
"816108"	816108	NA	"Oc1ccc(NC2=NC(=O)\C(=C\c3cccc(OCC=C)c3)\S2)cc1"	0	NA	NA	2	2	"464932826"	NA
"816183"	816183	NA	"CCOc1ccc(cc1OCC)c2nc3ccc(cc3[nH]2)c4nc5ccc(cc5[nH]4)N6CCN(C)CC6"	0	NA	NA	1	1	"464932765"	NA
"816184"	816184	NA	"CCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCC)c(OCC)c6"	0	NA	NA	2	2	"464932794"	NA
"816185"	816185	NA	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCC)c(OCC)c6"	0	NA	NA	1	1	"464932748"	NA
"816223"	816223	NA	"CCN(CC)c1ccc(\C=C\2/Oc3ccc(O)cc3C2=O)cc1"	0	NA	NA	1	1	"469398668"	NA
"816243"	816243	NA	"COc1cc(OCc2cccc(c2C)c3ccc(cc3)C(O)c4nccs4)cc(OC)c1C=O"	0	NA	NA	1	1	"469398722"	NA
"816314"	816314	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CN5\C(=N/C#N)\NC6(C5=O)C7=[C]8(=C6C=CC=C8)C=CC=C7)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	"469398786"	NA
"816429"	816429	NA	"COc1cc(\C=N\NC(=O)c2cnn3CC(Nc23)c4ccccc4)ccc1OC5CCCC5"	0	NA	NA	2	1	"469398707"	NA
"816437"	816437	NA	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	NA	NA	2	2	"440816497"	NA
"816464"	816464	NA	"CCOC(=O)c1[nH]c2cc(Cl)ccc2c1[C@H](N(CC)C(=O)CCCCC#Cc3cccc4C(=O)N(Cc34)C5CCC(=O)NC5=O)C(=O)NC(C)(C)C"	0	NA	NA	2	2	"469128536"	NA
"816475"	816475	NA	"Clc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1Cl"	0	NA	NA	2	2	"469128581"	NA
"816478"	816478	NA	"Cc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	1	1	"469128584"	NA
"816480"	816480	NA	"Clc1ccccc1NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4"	0	NA	NA	2	2	"469128518"	NA
"816489"	816489	NA	"Cc1nc2ccccc2c(\C=C\c3ccccc3)c1C(=O)\C=C\c4ccc(Cl)cc4"	0	NA	NA	1	1	"469128512"	NA
"816526"	816526	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6[C@H]7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"469128509"	NA
"816531"	816531	NA	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cncc(c3)C#Cc4cnc(N)c5ccccc45)CC1"	0	NA	NA	1	1	"469128539"	NA
"816554"	816554	NA	"CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34"	0	NA	NA	2	2	"440796500"	"2057509723"
"816555"	816555	NA	"CN1CCN(CCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)CC1"	0	NA	NA	2	2	"440795955"	"1349719987"
"816556"	816556	NA	"CCN1C(=O)N(Cc2c[nH]c3nc(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F"	0	NA	NA	1	1	"440804240"	"1513857776"
"816570"	816570	NA	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	NA	NA	2	2	"469676599"	"143679"
"816571"	816571	NA	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)CCCBr)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	NA	NA	2	2	"469676584"	NA
"816575"	816575	NA	"Oc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc3OC(=CC(=O)c13)c4ccccc4"	0	NA	NA	1	1	"469676632"	NA
"816593"	816593	NA	"Oc1ccc(F)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	"469676623"	NA
"816595"	816595	NA	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(F)cc2F"	0	NA	NA	1	1	"469676568"	NA
"816596"	816596	NA	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	"469676612"	NA
"816597"	816597	NA	"Oc1ccc(F)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	"469676687"	NA
"816598"	816598	NA	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	"469676628"	NA
"816600"	816600	NA	"Oc1ccc(F)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	"469676641"	NA
"816601"	816601	NA	"Oc1ccc(Br)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	"469676630"	NA
"816602"	816602	NA	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	"469676633"	NA
"816604"	816604	NA	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(I)cc3F"	0	NA	NA	2	2	"469676585"	NA
"816605"	816605	NA	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	"469676621"	NA
"816606"	816606	NA	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(Br)cc3F"	0	NA	NA	2	2	"469676613"	NA
"816607"	816607	NA	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(Cl)cc3F"	0	NA	NA	2	2	"469676704"	NA
"816609"	816609	NA	"Oc1ccc(I)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	1	1	"469676706"	NA
"816611"	816611	NA	"Fc1ccc(N2C(=O)Oc3ccc(Cl)cc3C2=O)c(F)c1"	0	NA	NA	1	1	"469676569"	NA
"816612"	816612	NA	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	"469676596"	NA
"816614"	816614	NA	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	2	"469676711"	NA
"816615"	816615	NA	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	2	2	"469676635"	NA
"816616"	816616	NA	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	2	"469676579"	NA
"816617"	816617	NA	"Fc1cc(Br)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	2	2	"469676638"	NA
"816621"	816621	NA	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	1	1	"469676602"	NA
"816634"	816634	NA	"NCCNc1nc2ccc(F)cc2c3C(=O)c4cc(F)ccc4Sc13"	0	NA	NA	1	1	"469676651"	NA
"816635"	816635	NA	"Nc1ccc(N2C(=O)Oc3ccc(Cl)cc3C2=O)c(Cl)c1"	0	NA	NA	2	2	"469676665"	NA
"816638"	816638	NA	"Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	2	"469676581"	NA
"816641"	816641	NA	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	"469676629"	NA
"816643"	816643	NA	"Fc1ccc(c(F)c1)c2ccc3OC(=O)N(C(=O)c3c2)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"469676583"	NA
"816657"	816657	NA	"Clc1ccc(c(Cl)c1)c2nn3c(CCC(=O)c4nc5ncccc5[nH]4)nnc3s2"	0	NA	NA	1	1	"469676567"	NA
"816682"	816682	NA	"COc1ccc(\C=C(/C#N)\n2nnc3cc(Cl)ccc23)cc1"	0	NA	NA	2	2	"469676618"	NA
"816684"	816684	NA	"N#C\C(=C/c1cccc2cnccc12)\N3N=NC4C=CC=CC34"	0	NA	NA	1	1	"469676600"	NA
"816687"	816687	NA	"Fc1cccc2c1nnn2\C(=C\c3ccc(Br)cc3)\C#N"	0	NA	NA	1	1	"469676697"	NA
"816708"	816708	NA	"NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5)cc1"	0	NA	NA	2	1	"469676642"	NA
"816863"	816863	NA	"C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc4cccc(Cl)c4F)C(=O)O"	0	NA	NA	2	2	"440815048"	"1919888064"
"816931"	816931	NA	"CCOC(=O)c1sc(nc1C)c2ccc(OS(=O)(=O)c3ccc(Br)s3)c(C=O)c2"	0	NA	NA	1	1	"469691021"	NA
"816932"	816932	NA	"CCOC(=O)c1sc(nc1C)c2ccc(OS(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c(C=O)c2"	0	NA	NA	2	1	"469690973"	NA
"816940"	816940	NA	"NS(=O)(=O)c1ccc(CCN=C=S)cc1"	0	NA	NA	1	1	"469690963"	NA
"816966"	816966	NA	"C(c1ccc2ccccc2c1)[n+]3c(c4ccccc4)n(Cc5ccc6ccccc6c5)c7ccccc37"	0	NA	NA	2	2	"469755409"	NA
"816967"	816967	NA	"C(c1ccc2ccccc2c1)[n+]3c(c4ccc5ccccc5c4)n(Cc6ccc7ccccc7c6)c8ccccc38"	0	NA	NA	2	2	"469755348"	NA
"816968"	816968	NA	"C(c1ccc2ccccc2n1)[n+]3c(c4ccccc4)n(Cc5ccc6ccccc6n5)c7ccccc37"	0	NA	NA	2	2	"469755397"	NA
"816969"	816969	NA	"C(c1ccc2ccccc2n1)[n+]3c(c4ccc5ccccc5c4)n(Cc6ccc7ccccc7n6)c8ccccc38"	0	NA	NA	2	2	"469755422"	NA
"816977"	816977	NA	"CN(C)c1ccc(\C=C(/C#N)\c2cc3ccccc3n2C)cc1"	0	NA	NA	2	2	"469755388"	NA
"816979"	816979	NA	"COc1ccc(\C=C(/C#N)\c2cc3ccccc3n2C)cc1"	0	NA	NA	2	2	"469755334"	NA
"816987"	816987	NA	"CN1CCN(CC1)c2ccc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)nc2"	0	NA	NA	1	1	"440795760"	"1977495978"
"817017"	817017	NA	"O=C1N(CCCN2CCOCC2)C(=O)c3cc(NCCN4CCCC4)c5C(=O)N(CCCN6CCOCC6)C(=O)c7ccc1c3c57"	0	NA	NA	2	2	"469755437"	NA
"817018"	817018	NA	"O=C1N(CCCN2CCOCC2)C(=O)c3c(cc4C(=O)N(CCCN5CCOCC5)C(=O)c6c(NCCN7CCCC7)cc1c3c46)c8ccc(CN9CCCC9)cc8"	0	NA	NA	2	2	"469755456"	NA
"817040"	817040	NA	"Cc1ccc2c(Nc3cccc(Cl)c3F)ncc(NC(=O)c4csc5c(N)ncnc45)c2c1"	0	NA	NA	2	2	"440810316"	"1446113230"
"817043"	817043	NA	"CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13"	0	NA	NA	1	1	"440812305"	"2230820116"
"817058"	817058	NA	"C[Pt]1(c2cc(F)cc(F)c2c3ccccn3)P(C4=CC=CC4[Fe]C5C=CC=C5P1(c6ccccc6)c7ccccc7)(c8ccccc8)c9ccccc9"	0	NA	NA	1	1	"469755362"	NA
"817065"	817065	NA	"CCOC(=O)n1cc(C2=C(COC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	NA	NA	2	2	"469755416"	NA
"817066"	817066	NA	"CCN1CCN(CC1)c2ccc(Nc3ncc4ccc5ncn(C(C)C)c5c4n3)nc2"	0	NA	NA	2	2	"469755372"	NA
"817116"	817116	NA	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc(OC)cc5)\c2c1"	0	NA	NA	1	1	"469755368"	NA
"817117"	817117	NA	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc6OCOc6c5)\c2c1"	0	NA	NA	2	2	"469755442"	NA
"817118"	817118	NA	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5cccc(OC)c5)\c2c1"	0	NA	NA	2	2	"469755462"	NA
"817120"	817120	NA	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc(C)cc5)\c2c1"	0	NA	NA	2	2	"469755424"	NA
"817121"	817121	NA	"CCc1ccc(cc1)\C(=C/2\C(=O)Nc3ccc(cc23)C(=O)OC)\Nc4ccc(cc4)N(C)C(=O)CN5CCN(C)CC5"	0	NA	NA	2	2	"469755363"	NA
"817124"	817124	"5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine"	"Clc1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	NA	NA	2	2	"469755338"	"199596059"
"817126"	817126	NA	"CC\C(=N/Nc1nc2ccccc2n1C)\c3ccccn3"	0	NA	NA	2	2	"469755420"	NA
"817127"	817127	"N-(dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine"	"N(N=C(c1ccccn1)c2ccccn2)c3oc4ccccc4n3"	0	NA	NA	2	2	"469755428"	NA
"817128"	817128	NA	"Clc1ccc(N\N=C\c2ccccn2)nc1"	0	NA	NA	2	1	"469755445"	NA
"817129"	817129	NA	"C\C(=N/Nc1ccc(Cl)cn1)\c2ccccn2"	0	NA	NA	2	2	"469755364"	NA
"817131"	817131	NA	"C\C(=N/Nc1ccc(Cl)cn1)\c2ccc3ccccc3n2"	0	NA	NA	1	1	"469755454"	NA
"817272"	817272	NA	"Oc1c(cc(Cl)c(OCc2ccc(Cl)cc2)c1c3ccc(Cl)c(c3)C(F)(F)F)c4cc(n[nH]4)C(F)(F)F"	0	NA	NA	2	2	"469756598"	NA
"817275"	817275	NA	"C[C@@H]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5ccn[nH]5)c4n2"	0	NA	NA	2	2	"440795997"	"1876467741"
"817385"	817385	NA	"Fc1cnccc1c2nc3ccc4[nH]ncc4c3c5CCCCc25"	0	NA	NA	1	1	"469797928"	NA
"817386"	817386	NA	"COc1c(cccc1c2nc3c(F)cc4[nH]nc(C)c4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	"469797854"	NA
"817388"	817388	NA	"Fc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	1	1	"469797914"	NA
"817389"	817389	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4c(F)cc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"469797927"	NA
"817390"	817390	NA	"Nc1nc2ccc(cc2s1)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6[C@H]7CCC(C7)[C@@H]36"	0	NA	NA	2	1	"469797866"	NA
"817391"	817391	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4ncc5ccccn45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"469797942"	NA
"817396"	817396	NA	"Clc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	"469797896"	NA
"817398"	817398	NA	"Brc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	"469797952"	NA
"817401"	817401	NA	"COc1ccc2nc3CC(CC(=O)c3cc2c1)C(F)(F)F"	0	NA	NA	2	2	"469797955"	NA
"817402"	817402	NA	"COc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	"469797916"	NA
"817496"	817496	NA	"OC1=NC(c2ccccc2[N+](=O)[O-])c3sc4c(F)cccc4c3C1C#N"	0	NA	NA	2	2	"469797858"	NA
"817903"	817903	NA	"ClC(Cl)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	2	2	"471065904"	NA
"817904"	817904	NA	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	2	2	"471065925"	NA
"817905"	817905	NA	"Fc1ccccc1\C=C\2/CN(C\C(=C/c3ccccc3F)\C2=O)C(=O)C(Cl)Cl"	0	NA	NA	2	2	"471065903"	NA
"817906"	817906	NA	"Fc1cccc(\C=C\2/CN(C\C(=C/c3cccc(F)c3)\C2=O)C(=O)C(Cl)Cl)c1"	0	NA	NA	2	2	"471065853"	NA
"817907"	817907	NA	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	2	2	"471065889"	NA
"817908"	817908	NA	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)c(F)c3)\C2=O)C(=O)C(Cl)Cl)cc1F"	0	NA	NA	2	2	"471065885"	NA
"817909"	817909	NA	"ClC(Cl)C(=O)N1C\C(=C/c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	"471065952"	NA
"817910"	817910	NA	"ClC(Cl)C(=O)N1C\C(=C/c2ccc(Cl)c(Cl)c2)\C(=O)\C(=C\c3ccc(Cl)c(Cl)c3)\C1"	0	NA	NA	2	2	"471065944"	NA
"817911"	817911	NA	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	1	1	"471065860"	NA
"817912"	817912	NA	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)c(OC)c3)\C2=O)C(=O)C(Cl)Cl)cc1OC"	0	NA	NA	2	2	"471065958"	NA
"817918"	817918	NA	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)C(CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)C(=O)C=C3)[C@H](C)C[C@@H]2C)C(=O)ONC(=O)c6ccccc6"	0	NA	NA	2	2	"471065872"	NA
"818002"	818002	NA	"CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncn(C)n4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(OC(C)C)nc7)c6c5"	0	NA	NA	2	2	"440798412"	"1184173736"
"818003"	818003	NA	"OC1CCN(CC1)c2ccc(Nc3nc(nc4C=NNC(=O)c34)N5CCC(CC#N)CC5)cc2"	0	NA	NA	2	2	"440798565"	"1425381607"
"818022"	818022	NA	"Cc1ccc(cc1)[Pt]2(c3cc(F)cc(F)c3c4cccc[n+]24)P(CP(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"471427463"	NA
"818070"	818070	NA	"CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(C(N[Cu])c1ccccc1)C(=O)OC2CC3(O[Zn]OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)c4ccccc4)C5C(C)(C(O)CC6OCC56OC(OC)[Zn]OC(=O)CCCCCCCCCCCCCCCCC)C(O[Zn]OC(=O)CCCCCCCCCCCCCCCCC)C(OC(C)O[Zn]OC(=O)CCCCCCCCCCCCCCCC)C(=C2C)C3(C)C"	0	NA	NA	2	2	"471427418"	NA
"818101"	818101	NA	"Cc1ccccc1Nc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4"	0	NA	NA	1	1	"471427388"	NA
"818118"	818118	NA	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6ccncc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)Nc7ccccn7"	0	NA	NA	1	1	"471299565"	NA
"818142"	818142	NA	"COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=O)\C=C\c7cccnc7"	0	NA	NA	2	1	"471299585"	NA
"818209"	818209	NA	"CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H](CC[C@@]34C)C(=O)\C=C\c5ccccn5)[C@@]2(C)C\C(=C\c6ccccn6)\C1=O"	0	NA	NA	2	1	"471299569"	NA
"818307"	818307	NA	"COc1ccc(cc1N)c2c[nH]nc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"471299503"	NA
"818334"	818334	NA	"O=C(\C=C/c1ccc(OCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)c5ccc6OCCOc6c5"	0	NA	NA	2	1	"471299450"	NA
"818335"	818335	NA	"COc1ccc(cc1)c2c[nH]c(C(=O)O)c2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	"471299520"	NA
"818336"	818336	NA	"COc1cccc(c1)C2C(=C(N)Oc3cc(OCCCCCC[P+](c4ccccc4)(c5ccccc5)c6ccccc6)ccc23)C#N"	0	NA	NA	2	2	"471299657"	NA
"818341"	818341	NA	"Fc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)C(F)(F)F)cc1"	0	NA	NA	1	1	"471299471"	NA
"818392"	818392	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"471348338"	NA
"818393"	818393	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"471348276"	NA
"818402"	818402	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)Nc5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"471348317"	NA
"818413"	818413	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC#C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"471348396"	NA
"818427"	818427	NA	"CCN1C2NN=C3S\C(=C/c4cccc(F)c4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"471348374"	NA
"818428"	818428	NA	"COc1ccc(\C=C\2/SC3=NNC4C(N(C)C(=O)N4C)N3C2=O)cc1"	0	NA	NA	2	2	"471348368"	NA
"818429"	818429	NA	"CCN1C2NN=C3S\C(=C/c4ccccn4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	1	1	"471348238"	NA
"818431"	818431	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(C5CCCC5)c6ccccc46)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	1	1	"471348405"	NA
"818432"	818432	NA	"OB(O)[C@H](Cc1coc2ccccc12)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4"	0	NA	NA	1	1	"440798552"	"2285330154"
"818433"	818433	NA	"CC(C)c1nccc(C)c1N2C(=O)N=C(N3CCN(C[C@@H]3C)C(=O)C=C)c4cc(F)c(nc24)c5c(O)cccc5F"	0	NA	NA	2	2	"440796328"	"2252403566"
"818434"	818434	NA	"COc1ccc(CN2C3CC2CN(C3)c4ccc(cn4)c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn1"	0	NA	NA	1	1	"440798555"	"2152628334"
"818536"	818536	NA	"COc1cc(\C=C\C2=CC(=[O][B](F)(F)O2)\C=C\c3ccc(OC(=O)C(C)c4ccc(c(F)c4)c5ccccc5)c(OC)c3)ccc1O"	0	NA	NA	1	1	"471348284"	NA
"818539"	818539	NA	"COc1ccc2cc(ccc2c1)C(C)C(=O)Oc3ccc(\C=C\C4=[O][B](F)(F)OC(=C4)\C=C\c5ccc(O)c(OC)c5)cc3OC"	0	NA	NA	1	1	"471348285"	NA
"818555"	818555	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)[C@H](Cc5cccc(C)c5)NC(=O)Nc6ccc(Cl)cc6F)[C@H](C)OC2=O"	0	NA	NA	2	2	"471348322"	NA
"818557"	818557	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC(=O)[C@H](Cc5cccc(C)c5)NC(=O)Nc6ccc(Cl)cc6F)[C@H](C)OC2=O)OC(=O)CCN(C)C"	0	NA	NA	2	2	"471348392"	NA
"818559"	818559	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(cc6F)C7CC7)[C@H](C)OC2=O"	0	NA	NA	2	2	"471348353"	NA
"818560"	818560	NA	"CC[C@@H]1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](Cc4cc(F)cc(F)c4)NC(=O)Nc5ccc(cc5F)C6CC6)[C@H](C)OC(=O)[C@@H]7C[C@@H](C)CN7C1=O"	0	NA	NA	2	2	"471348380"	NA
"818582"	818582	NA	"C[C@]12CC[C@H]3[C@@H](CC=C4c5sc(Nc6ccccc6)nc5CC[C@]34C)[C@@H]1CC/C/2=N\NC(=S)N"	0	NA	NA	1	1	"471348327"	NA
"818583"	818583	NA	"COc1ccc(Nc2nc3C4=CC[C@@H]5[C@H](CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C)[C@@]4(C)CCc3s2)c(OC)c1"	0	NA	NA	1	1	"471348304"	NA
"818584"	818584	NA	"C[C@]12CCc3sc(Nc4ccccn4)nc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	1	1	"471348400"	NA
"818595"	818595	NA	"CCOC(=O)n1cc(C2=C(COC2=O)c3ccc(OC)c(OC)c3)c4ccccc14"	0	NA	NA	2	2	"471348272"	NA
"818596"	818596	NA	"COc1ccc(cc1OC)C2=C(C(=O)OC2)c3cn(C)c4ccccc34"	0	NA	NA	1	1	"471348384"	NA
"818599"	818599	NA	"CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc3ccc4C=CC(=O)Oc4c3"	0	NA	NA	1	1	"471348275"	"51020361"
"818600"	818600	NA	"CC1=CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1COc3ccc4C=CC(=O)Oc4c3"	0	NA	NA	1	1	"471348239"	"41743479"
"818603"	818603	NA	"C1CN2CCNCc3ccc4ccc(CNCCN(CCNCc5ccc6ccc(CNCC2)cc6c5)CCNCc7ccc8ccc(CN1)cc8c7)cc4c3"	0	NA	NA	1	1	"471348391"	NA
"818604"	818604	NA	"C1CN2CCNCc3ccc(Oc4ccc(CNCCN(CCNCc5ccc(Oc6ccc(CNCC2)cc6)cc5)CCNCc7ccc(Oc8ccc(CN1)cc8)cc7)cc4)cc3"	0	NA	NA	1	1	"471348383"	NA
"818619"	818619	NA	"CO[C@@H]1CC[C@H](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[C@@H]5CCCC(=O)N5c6ccc(F)c(F)c6"	0	NA	NA	1	1	"440807030"	"2222941377"
"818620"	818620	NA	"COc1cc2N(Cc3ccccn3)C(=O)C(=Cc2cc1c4c(C)onc4C)C"	0	NA	NA	1	1	"440804300"	"1801503934"
"818621"	818621	NA	"C[C@H](NC1=CC=C(C#N)N(C)C1=O)c2cc3cc(Cl)ccc3nc2O"	0	NA	NA	1	1	"440808209"	"1887014121"
"818681"	818681	NA	"Cc1ccc(cc1)c2nc(C(Cl)Cl)n3nc(cc3n2)c4ccccc4"	0	NA	NA	2	2	"471427800"	NA
"818682"	818682	NA	"Cc1ccc(cc1)c2cc3nc(nc(C(Cl)Cl)n3n2)c4ccccc4"	0	NA	NA	1	1	"471427840"	NA
"818704"	818704	NA	"ClC(Cl)c1nc(c2cccnc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	"471427933"	NA
"818722"	818722	NA	"COc1ccc(cc1OC)c2ccc(s2)c3ccc(s3)c4ccc(cc4)C(=N)N"	0	NA	NA	1	1	"471427835"	NA
"818731"	818731	NA	"CN(C)c1ccc(cc1)c2ccc(s2)c3ccc(cc3)C(=N)N"	0	NA	NA	1	1	"471427919"	NA
"818732"	818732	NA	"CN(C)c1ccc(cc1)c2ccc(s2)c3ccc(C(=N)N)c(F)c3"	0	NA	NA	1	1	"471427866"	NA
"818761"	818761	NA	"[O-][N+](=O)c1ccc(\C=C(/C#N)\c2nc3cc(Cl)ccc3s2)s1"	0	NA	NA	1	1	"471427802"	NA
"818762"	818762	NA	"[O-][N+](=O)c1ccc(\C=C(/C#N)\c2nc3cc(Br)ccc3s2)s1"	0	NA	NA	2	2	"471427958"	NA
"818791"	818791	NA	"COc1ccc(cc1)C(=O)C2C(C#N)C(C#N)C3C=Cc4ccccc4N23"	0	NA	NA	1	1	"471427774"	NA
"818795"	818795	NA	"COc1ccc(cc1O)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	"471427815"	NA
"818798"	818798	NA	"CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n3ccc(\C=C\c4cc[n+](CC(=O)c5ccc(OC)cc5)cc4)cc13"	0	NA	NA	1	1	"471427869"	NA
"818823"	818823	NA	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3c1ccc4ccccc34"	0	NA	NA	2	2	"471427931"	NA
"818855"	818855	NA	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)c3cccc(Cn4cc(CCOC(=O)c5cccc(Cn6nnc7C(=O)c8ccccc8C(=O)c67)c5)nn4)c3"	0	NA	NA	2	2	"471694896"	NA
"818971"	818971	NA	"COc1ccc(cc1)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2"	0	NA	NA	2	2	"471694981"	NA
"818972"	818972	NA	"O=C(Nc1ncc(Cc2ccccc2)s1)c3ccc4OCCCOc4c3"	0	NA	NA	2	2	"471694919"	NA
"818984"	818984	NA	"COc1ccc(cc1)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2"	0	NA	NA	2	2	"471694749"	NA
"818985"	818985	NA	"COc1ccc(cc1OC)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2"	0	NA	NA	2	2	"471694946"	NA
"819004"	819004	NA	"Cl\C(=C/c1ccccc1)\C=C\2/SC(=O)N(CC(=O)NCCCn3ccnc3)C2=O"	0	NA	NA	1	1	"471694827"	NA
"819045"	819045	NA	"Clc1ccccc1Cc2cnc(NC(=O)\C=C\c3ccccc3)s2"	0	NA	NA	2	2	"471694967"	NA
"819049"	819049	NA	"COc1ccc(cc1)N2C(=S)S\C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/Cl)\C2=O"	0	NA	NA	2	1	"471694870"	NA
"819115"	819115	NA	"Cl[Pt](Cl)(P(CC=C)(c1ccccc1)c2ccccc2)P(CC=C)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	"472310541"	NA
"819118"	819118	NA	"C=CCP(c1ccccc1)(c2ccccc2)[Pt](Sc3ncccn3)(Sc4ncccn4)P(CC=C)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"472310491"	NA
"819120"	819120	NA	"C=CCP(c1ccccc1)(c2ccccc2)[Pt](Sc3nc4ccccc4[nH]3)(Sc5nc6ccccc6[nH]5)P(CC=C)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	"472310390"	NA
"819131"	819131	NA	"CSc1nn2c(ccnc2c1C#N)c3ccc4ccccc4c3"	0	NA	NA	1	1	"472310538"	NA
"819153"	819153	NA	NA	0	NA	NA	1	1	"472310537"	NA
"819173"	819173	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4c(Cl)ccc5OCOc45)c3c2"	0	NA	NA	2	2	"472310413"	NA
"819174"	819174	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2"	0	NA	NA	2	2	"472310434"	NA
"819189"	819189	NA	"Cn1cc(cn1)c2ccc3occ(c4cccc(c4)c5ccncc5)c3n2"	0	NA	NA	2	1	"472310495"	NA
"819210"	819210	NA	"C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)S(=O)(=O)C)c4sc(NC(=O)C)nc4C"	0	NA	NA	1	1	"440806890"	"2132961465"
"819212"	819212	NA	"CN(C(=O)CN1CCN(C)CC1)c2ccc(N\C(=C\3/C(=O)Nc4ccc(cc34)C#N)\c5ccccc5)cc2"	0	NA	NA	1	1	"472310492"	NA
"819214"	819214	NA	"CCOC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)\c2c1"	0	NA	NA	2	2	"472310449"	NA
"819215"	819215	NA	"CC(C)OC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)\c2c1"	0	NA	NA	2	2	"472310418"	NA
"819245"	819245	NA	"[O-][N+](=O)c1cccc(c1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5cccc(F)c5)n4"	0	NA	NA	1	1	"472310410"	NA
"819256"	819256	NA	"[O-][N+](=O)c1cccc(c1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	"472310452"	NA
"819272"	819272	NA	"Oc1ccccc1\C=N/NC(=O)CN2CCN(CC2)c3cc4N(C=C(C(=O)N\N=C\c5ccccc5O)C(=O)c4cc3F)C6CC6"	0	NA	NA	2	2	"472310544"	NA
"819276"	819276	NA	"COc1ccc(\C=N/NC(=O)CN2CCN(CC2)c3cc4N(C=C(C(=O)N\N=C\c5ccc(OC)c(OC)c5)C(=O)c4cc3F)C6CC6)cc1OC"	0	NA	NA	1	1	"472310438"	NA
"819277"	819277	NA	"COc1cc(\C=N/NC(=O)CN2CCN(CC2)c3cc4N(C=C(C(=O)N\N=C\c5cc(OC)c(OC)c(OC)c5)C(=O)c4cc3F)C6CC6)cc(OC)c1OC"	0	NA	NA	2	2	"472310417"	NA
"819544"	819544	NA	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)c3cccc(Cn4cc(CCOC(=O)[C@H](N)Cc5cn(C)c6ccccc56)nn4)c3"	0	NA	NA	2	2	"472469379"	NA
"819548"	819548	NA	"CC12CCCC(CC(=O)c3[nH]c4ccccc4c13)C2"	0	NA	NA	2	2	"472469444"	NA
"819556"	819556	NA	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)c3cn(C)c4ccccc34"	0	NA	NA	2	2	"472469475"	NA
"819558"	819558	NA	"CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O)C=C)c5cccc6cccc(C)c56"	0	NA	NA	1	1	"440798408"	"2206736049"
"819590"	819590	NA	"Oc1ccc(\C=N/NC(=O)\C=C\C=C\c2ccc3OCOc3c2)c(O)c1"	0	NA	NA	1	1	"472441535"	NA
"819597"	819597	NA	"CCCCn1c(nc(c2ccccc2)c1c3ccccc3)c4ccc(cc4)C(=O)O\N=C(/N)\c5ccc6OCOc6c5"	0	NA	NA	1	1	"472441540"	NA
"819599"	819599	NA	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"472441623"	NA
"819601"	819601	NA	"Nc1n[nH]c2cc(F)c(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"472441552"	NA
"819602"	819602	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4cc5CNC(=O)c5cc4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"472441530"	NA
"819603"	819603	NA	"Cn1nc(N)c2cc(ccc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"472441543"	NA
"819604"	819604	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5cn[nH]c5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"472441613"	NA
"819606"	819606	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6C7CC(C=C7)[C@@H]36"	0	NA	NA	2	2	"472441602"	NA
"819610"	819610	NA	"CC(C)Oc1ccc(cc1N2C(=Nc3ccccc3C2=O)CN4CCN(CC4)C(=O)COc5ccc(Cl)cc5)C(=O)Cn6ccnc6"	0	NA	NA	2	2	"440807396"	"1801530119"
"819659"	819659	NA	"COc1cc2nc(cc(OCCCN3CCC(O)CC3)c2cc1OC)c4ccc(Cl)cc4"	0	NA	NA	1	1	"472441558"	NA
"819660"	819660	NA	"COc1cc2nc(cc(OCCCN3CCOCC3)c2cc1OC)c4ccc(Cl)cc4"	0	NA	NA	1	1	"472441547"	NA
"819663"	819663	NA	"COc1cc2nc(cc(OCCCN3CCC(O)CC3)c2cc1OC)c4ccc(cc4)C(F)(F)F"	0	NA	NA	1	1	"472441631"	NA
"819664"	819664	NA	"COc1cc2nc(cc(OCCCN3CCCCC3)c2cc1OC)c4ccc(cc4)C(F)(F)F"	0	NA	NA	1	1	"472441599"	NA
"819669"	819669	NA	"COc1cc2nc(cc(OCCCN3CCCC3)c2cc1OC)c4ccc(Cl)cc4"	0	NA	NA	1	1	"472441622"	NA
"819670"	819670	NA	"COc1cc2nc(cc(OCCCN3CCCCC3)c2cc1OC)c4ccc(Cl)cc4"	0	NA	NA	1	1	"472441630"	NA
"819673"	819673	NA	"COc1cc2nc(cc(OCCCN3CCCC3)c2cc1OC)c4ccc(cc4)C(F)(F)F"	0	NA	NA	2	2	"472441606"	NA
"819674"	819674	NA	"COc1cc2nc(cc(OCCCN3CCOCC3)c2cc1OC)c4ccc(cc4)C(F)(F)F"	0	NA	NA	1	1	"472441559"	NA
"819746"	819746	NA	"C(c1ccc2ccccc2c1)[n+]3c(\C=C\c4ccccc4)n(Cc5ccc6ccccc6c5)c(c7ccccc7)c3c8ccccc8"	0	NA	NA	2	1	"472629787"	NA
"819747"	819747	NA	"C(c1ccc2ccccc2c1)[n+]3c(c4ccccc4)c(c5ccccc5)n(Cc6ccc7ccccc7c6)c3c8cccc9ccccc89"	0	NA	NA	2	2	"472629784"	NA
"819748"	819748	NA	"C(c1ccc2ccccc2c1)[n+]3c(c4cccc5ccccc45)n(Cc6ccc7ccccc7c6)c8c9ccccc9c%10ccccc%10c38"	0	NA	NA	2	1	"472629992"	NA
"819762"	819762	NA	"CCN1C2NN=C3S\C(=C/c4cccnc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	"472629771"	NA
"819764"	819764	NA	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC(C)(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	1	1	"472629763"	NA
"819777"	819777	NA	"CN1C2NN=C3S\C(=C/c4ccc(Cl)cc4Cl)\C(=O)N3C2N(C)C1=O"	0	NA	NA	2	2	"472629982"	NA
"819784"	819784	NA	"CCN1C2C(NN=C3S\C(=C\4/C(=O)N(C(C)C)c5ccccc45)\C(=O)N23)N(C1=O)c6ccccc6"	0	NA	NA	2	2	"472629802"	NA
"819787"	819787	NA	"CN1C2NN=C3S\C(=C/c4c[nH]c5ccccc45)\C(=O)N3C2N(C)C1=O"	0	NA	NA	2	2	"472629838"	NA
"819834"	819834	NA	"O=C(N\N=C\1/C(=O)Nc2ccccc12)c3oc4ccccc4c3CN5CCN(CC5)c6ccccc6"	0	NA	NA	1	1	"472629919"	NA
"819908"	819908	NA	"FC(F)(F)c1ccn(n1)c2ccc(cc2)C(=O)\C=C\c3ccc[nH]3"	0	NA	NA	2	2	"472629882"	NA
"819910"	819910	NA	"Cc1cc(ccc1n2ccc(n2)C(F)(F)F)C(=O)\C=C\c3ccc[nH]3"	0	NA	NA	1	1	"472630007"	NA
"819947"	819947	NA	"CC(=O)Nc1ccc(cc1)n2cnc3cc(ccc23)c4ccc(OCCN5CCCCC5)cc4"	0	NA	NA	1	1	"472629873"	NA
"819953"	819953	NA	"Oc1cccc(c1)c2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2"	0	NA	NA	1	1	"472629836"	NA
"819974"	819974	NA	"COc1cc(\C=C\c2cc(O)c(C(=O)C)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	NA	NA	1	1	"472629997"	NA
"820032"	820032	NA	"COc1cc(\C=N\O)nc(c1)c2ccccn2"	0	NA	NA	2	2	"472641079"	"21802379"
"820052"	820052	NA	"CCN1CCN(CC1)C2CN(C2)c3cccc(CN4C[C@H]5N([C@@H](Cc6ccc(O)cc6F)C4=O)C(=O)CN(CC=C)N5C(=O)NCc7ccccc7)n3"	0	NA	NA	2	2	"440809833"	"1799824080"
"820138"	820138	NA	"O=C(Cn1c[n+](CC(=O)c2ccc(cc2)c3ccccc3)c4ccccc14)Nc5cccc6cccnc56"	0	NA	NA	1	1	"472662409"	NA
"820217"	820217	NA	"CCN(CC)c1ccc(\C=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccc(cc4)S(=O)(=O)N)c(O)c1"	0	NA	NA	1	1	"472662494"	NA
"820218"	820218	NA	"CCN(CC)c1ccc(\C=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2Cc4ccc(cc4)S(=O)(=O)N)c(O)c1"	0	NA	NA	1	1	"472662460"	NA
"820304"	820304	NA	"Cn1cc(cn1)c2cc3c(Nc4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4)ncnc3[nH]2"	0	NA	NA	2	2	"472662395"	NA
"820305"	820305	NA	"Clc1nc(NNC(=O)c2ccccc2)nc(n1)N3CCN(CC3)C(c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"472662563"	NA
"820307"	820307	NA	"COc1ccc(cc1)C(=O)NNc2nc(Cl)nc(n2)N3CCN(CC3)C(c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"472662430"	NA
"820308"	820308	NA	"COc1cccc(c1)C(=O)NNc2nc(Cl)nc(n2)N3CCN(CC3)C(c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"472662556"	NA
"820324"	820324	NA	"O=C1C2[C@@H]3C[C@@H](C=C3)C2C(=O)N1CC[Se][Se]CCN4C(=O)C5[C@@H]6C[C@@H](C=C6)C5C4=O"	0	NA	NA	2	1	"472662402"	NA
"820329"	820329	NA	"O=S(=O)(NCCC[Se]C#N)C1CC2CC1C=C2"	0	NA	NA	2	1	"472662479"	NA
"820332"	820332	NA	"COc1ccc2c(c1)c(CC(=O)[Se]C)c(C)n2C(=O)c3ccc(Cl)cc3"	0	NA	NA	2	1	"472662495"	NA
"820373"	820373	NA	"Nc1nc(Nc2ccccc2SSc3ccccc3Nc4nc(N)nc(n4)C(Cl)(Cl)Cl)nc(n1)C(Cl)(Cl)Cl"	0	NA	NA	1	1	"472882174"	NA
"820380"	820380	NA	"Cc1ccccc1NC(=O)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	2	2	"472882199"	NA
"820381"	820381	NA	"Clc1ccccc1NC(=O)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	2	2	"472882244"	NA
"820383"	820383	NA	"ONC(=O)CN1C(=O)C(=C(C=C1c2ccccc2)c3ccccc3)C#N"	0	NA	NA	1	1	"472882166"	NA
"820398"	820398	NA	"ONC(=O)CCCCN1C(=O)C(=C(C=C1c2ccccc2)c3ccccc3)C#N"	0	NA	NA	1	1	"472882228"	NA
"820505"	820505	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(cc3)C#C"	0	NA	NA	2	1	"473144329"	NA
"820506"	820506	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(F)cc3"	0	NA	NA	2	2	"473144349"	NA
"820508"	820508	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	"473144392"	NA
"820520"	820520	NA	"COCCNC(=O)c1ccc(cc1)c2nc3ccc4[nH]ncc4c3c5CCCCc25"	0	NA	NA	1	1	"473144404"	NA
"820522"	820522	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(Cl)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"473144388"	NA
"820523"	820523	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnn5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"473144326"	NA
"820524"	820524	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5[nH]ncc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"473144390"	NA
"820548"	820548	NA	"CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4"	0	NA	NA	2	2	"473144355"	"336113532"
"820549"	820549	NA	"CCCCCCCCCCCCCCCCOCCCOP(=O)(O)C1CCCN(O)C1=O"	0	NA	NA	1	1	"473144429"	NA
"820555"	820555	NA	"O=C1N(CCN2CCCCC2)C(=O)c3c1c4c5ccccc5ccc4c6[nH]c7ccccc7c36"	0	NA	NA	1	1	"473144328"	NA
"820556"	820556	NA	"O=C1N(CCN2CCNCC2)C(=O)c3c1c4c5ccccc5ccc4c6[nH]c7ccccc7c36"	0	NA	NA	1	1	"473144402"	NA
"820558"	820558	NA	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4ccccc4[nH]c3c5ccc6ccccc6c25"	0	NA	NA	1	1	"473144378"	NA
"820566"	820566	NA	"ON1C(=O)c2c(C1=O)c3c4ccccc4[nH]c3c5oc6cc(Br)ccc6c25"	0	NA	NA	1	1	"473144383"	NA
"820590"	820590	NA	"ON1C(=O)c2c(C1=O)c3c4ccccc4[nH]c3c5oc6ccc(F)cc6c25"	0	NA	NA	1	1	"473144431"	NA
"820592"	820592	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(Br)cc3)C(=O)c12"	0	NA	NA	2	2	"473144430"	NA
"820593"	820593	NA	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(OC)cc3)C(=O)c12"	0	NA	NA	2	2	"473144323"	NA
"820594"	820594	NA	"COC(=O)c1c(C)[n+]([O-])cc2C(=O)C(=CC(=O)c12)NCc3ccccc3"	0	NA	NA	2	2	"473144321"	NA
"820595"	820595	NA	"Cc1ccc2C(=O)c3c([nH]c4ccccc34)C(=O)c2n1"	0	NA	NA	1	1	"473144442"	NA
"820596"	820596	NA	"COc1ccc2c3C(=O)c4ccc(C)nc4C(=O)c3[nH]c2c1"	0	NA	NA	1	1	"473144394"	NA
"820717"	820717	NA	"O=C(Nc1sc2CC(=O)CCc2c1C#N)c3ccccc3"	0	NA	NA	1	1	"474272024"	NA
"820719"	820719	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccccc3"	0	NA	NA	1	1	"474272000"	NA
"820784"	820784	NA	"Cc1sc(cc1[C@@H]2NCCc3ccc(Cl)cc23)C(=O)c4cncnc4N[C@H]5C[C@H](O)[C@@H](COS(=O)(=O)N)C5"	0	NA	NA	3	3	"440799577"	NA
"820793"	820793	NA	"CCOC(=O)c1cnn2c3ccccc3n(c12)S(=O)(=O)c4ccc(OC)cc4"	0	NA	NA	2	2	"474485389"	NA
"820794"	820794	NA	"COc1ccc(cc1)S(=O)(=O)n2c3ccccc3n4ncc(c5oc(C)nn5)c24"	0	NA	NA	2	2	"474485323"	NA
"820799"	820799	NA	"Cc1ccc(cc1Nc2nc(nc3c2cnn3C)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F"	0	NA	NA	1	1	"474485399"	"940310850"
"820832"	820832	NA	"CCN1Cc2c(O[C@@H](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N"	0	NA	NA	1	1	"440798529"	"2271119265"
"820909"	820909	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2"	0	NA	NA	1	1	"474485356"	NA
"820915"	820915	NA	"CS(=O)(=O)N(c1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)S(=O)(=O)C"	0	NA	NA	2	2	"474485334"	NA
"820916"	820916	NA	"CN(C)CCS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	"474485362"	NA
"820918"	820918	NA	"Oc1ccc(cc1)N(C(=O)c2cc(c3cc4OCOc4cc3C(=O)N5Cc6ccccc6C[C@H]5CN7CCOCC7)n8CCCCc28)c9ccccc9"	0	NA	NA	1	1	"440798792"	"1448525914"
"820919"	820919	NA	"Cc1ccc(cc1Nc2nc(nc3c2cnn3C)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F"	0	NA	NA	1	1	"440807423"	"940310850"
"820959"	820959	NA	"Cc1nn(c2ccccc2)c(c1\C=N\Nc3nc(cs3)c4ccc(Cl)c(Cl)c4)n5ccnc5"	0	NA	NA	1	1	"475522506"	NA
"821115"	821115	NA	"Cc1c(cn2ncnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c12)C(=O)NCCN5CCOCC5"	0	NA	NA	1	1	"475522529"	NA
"821124"	821124	NA	"CCN(CC)CCNC(=O)c1cn2ncnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2c1C"	0	NA	NA	1	1	"475522578"	NA
"821165"	821165	NA	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc3[nH]c(nc3c2)c4ccc(Cl)cc4)cc1"	0	NA	NA	1	1	"475522496"	NA
"821290"	821290	NA	"CN1C(=O)N(C)c2nc(Br)n(CC(=O)Nc3ccc(C)cc3)c2C1=O"	0	NA	NA	1	1	"475524024"	NA
"821359"	821359	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccccc3O"	0	NA	NA	1	1	"475523999"	NA
"821364"	821364	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccccc3F"	0	NA	NA	1	1	"475524029"	NA
"821366"	821366	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCC6COC(CC#CC#CC#CC#CC#CC#CC#CC#C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"475523963"	NA
"821369"	821369	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OC[C@@H]6CO[C@@H](CC#CC#CC#CC#CC#CC#CC#CC#C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"475523971"	NA
"821371"	821371	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OC[C@H]6CO[C@@H](CC#CC#CC#CC#CC#CC#CC#CC#C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"475524008"	NA
"821373"	821373	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OC[C@H]6COC(CC#CC#CC#CC#CC#CC#CC#CC#C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"475523980"	NA
"821376"	821376	NA	"Fc1ccc2c(c1)nc(C(=O)NNc3cnccn3)c4cccn24"	0	NA	NA	2	2	"475547537"	NA
"821380"	821380	NA	"Fc1ccc2c(c1)nc(NNC(=O)c3ccccc3)c4ccc(CN5CCOCC5)n24"	0	NA	NA	2	2	"475547417"	NA
"821381"	821381	NA	"CN1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc5cc(F)ccc5n23)CC1"	0	NA	NA	2	2	"475547562"	NA
"821382"	821382	NA	"CC(C)N1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc5cc(F)ccc5n23)CC1"	0	NA	NA	2	2	"475547501"	NA
"821383"	821383	NA	"Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(Cl)cn3"	0	NA	NA	2	2	"475547508"	NA
"821399"	821399	NA	"COc1cc(cc(OC)c1O)C(=O)c2c(oc3ccccc23)c4ccccc4"	0	NA	NA	1	1	"475547511"	NA
"821400"	821400	NA	"COc1cc(cc(OC)c1O)C(=O)c2c(oc3c(OC)cccc23)c4ccccc4"	0	NA	NA	2	2	"475547435"	NA
"821401"	821401	NA	"COc1cc(cc(OC)c1OC)C(=O)c2c(oc3c(OC)cccc23)c4ccccc4"	0	NA	NA	2	2	"475547519"	NA
"821592"	821592	NA	"CCN(CC)CCOc1ccc(cc1)C(=C(C)c2ccc(Cl)cc2)c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	2	1	"475547547"	NA
"821593"	821593	NA	"CCC(=C(c1ccc(OCCCN(C)C)cc1)c2ccc(OCCCN(C)C)cc2)c3ccc(Cl)cc3"	0	NA	NA	2	1	"475547549"	NA
"821594"	821594	NA	"CCC(=C(c1ccc(OCCN2CCCCC2)cc1)c3ccc(OCCN4CCCCC4)cc3)c5ccc(Cl)cc5"	0	NA	NA	1	1	"475547542"	NA
"821654"	821654	NA	"Fc1ccc2nnn(\C(=C\c3ccc(Br)cc3)\C#N)c2c1"	0	NA	NA	2	2	"475547495"	NA
"821656"	821656	NA	"CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45"	0	NA	NA	2	2	"440810462"	NA
"821660"	821660	NA	"CN(C)CCN1C(=O)c2cccc3c(\C=C\CN4C(=O)c5cccc6cccc(C4=O)c56)ccc(C1=O)c23"	0	NA	NA	1	1	"475547536"	NA
"821670"	821670	NA	"CC\N=C\1/SC2=C(N1NC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)C(=O)c6ccccc6C2=O"	0	NA	NA	2	2	"475547534"	NA
"821671"	821671	NA	"C=CC\N=C\1/SC2=C(N1NC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)C(=O)c6ccccc6C2=O"	0	NA	NA	1	1	"475547523"	NA
"821674"	821674	NA	"O=C(NN1\C(=N\C2CC2)\SC3=C1C(=O)c4ccccc4C3=O)c5cc6CCc7ccc(CCc5cc6)cc7"	0	NA	NA	1	1	"475547554"	NA
"821685"	821685	NA	"CC(=O)ON1CCCC(C1=O)P(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C"	0	NA	NA	1	1	"475547535"	NA
"821725"	821725	NA	"Cc1ccc(cc1)c2oc3c(nc(nc3n2)c4ccc(F)cc4)N5CCNCC5"	0	NA	NA	1	1	"475551193"	NA
"821734"	821734	NA	"O=S(=O)(N1CCOCC1)c2oc(nc2C#N)c3ccccc3"	0	NA	NA	1	1	"475551098"	NA
"821776"	821776	NA	"Cc1nn(c2ccc(cc2)[N+](=O)[O-])c3ncnc(N\N=C\c4ccccc4O)c13"	0	NA	NA	2	2	"475551131"	NA
"821778"	821778	"2-[(E)-[[1-(4-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol"	"Cc1nn(c2ccc(Cl)cc2)c3ncnc(N\N=C\c4ccccc4O)c13"	0	NA	NA	2	1	"475551175"	NA
"821780"	821780	NA	"Cc1nn(C)c2ncnc(N\N=C\c3cccc(O)c3O)c12"	0	NA	NA	2	2	"475551146"	NA
"821974"	821974	NA	"CCN1CCN(CC1)c2nc(NNC(=O)c3cccc(OC)c3)nc(n2)N4CCN(CC4)C(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"475720814"	NA
"821981"	821981	NA	"Cc1ccc2[nH]c(nc2c1)c3ccc(OCC(=O)N\N=C\4/C(=O)Nc5ccccc45)cc3"	0	NA	NA	1	1	"475720630"	NA
"821983"	821983	NA	"Clc1cc2nc([nH]c2cc1Cl)c3ccc(OCC(=O)N\N=C\4/C(=O)Nc5ccccc45)cc3"	0	NA	NA	2	1	"475720691"	NA
"821991"	821991	NA	"COc1cc(ccc1OCC(=O)N\N=C\2/C(=O)Nc3ccc(Cl)cc23)c4nc5ccccc5[nH]4"	0	NA	NA	1	1	"475720613"	NA
"821993"	821993	NA	"COc1cc(ccc1OCC(=O)N\N=C\2/C(=O)Nc3ccc(Cl)cc23)c4nc5cc(C)ccc5[nH]4"	0	NA	NA	1	1	"475720600"	NA
"822000"	822000	NA	"COc1cc(ccc1OCC(=O)N\N=C\2/C(=O)Nc3ccc(Cl)cc23)c4nc5cc(Cl)c(Cl)cc5[nH]4"	0	NA	NA	2	2	"475720774"	NA
"822022"	822022	NA	"COc1cc(ccc1OCC(=O)N\N=C\2/C(=O)Nc3ccccc23)c4nc5cc(C)ccc5[nH]4"	0	NA	NA	1	1	"475720761"	NA
"822023"	822023	NA	"COc1cc(ccc1OCC(=O)N\N=C\2/C(=O)Nc3ccccc23)c4nc5cc(Cl)c(Cl)cc5[nH]4"	0	NA	NA	2	2	"475720793"	NA
"822031"	822031	NA	"C[C@]12CCc3nc(Nc4cc(F)ccc4F)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	1	1	"475720676"	NA
"822032"	822032	NA	"C[C@]12CCc3nc(NC(=N)N)sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C"	0	NA	NA	2	1	"475720622"	NA
"822040"	822040	NA	"O[C@]1(CC(=O)c2ccc(cc2)C3CC3)C(=O)Nc4c(Cl)ccc(Cl)c14"	0	NA	NA	2	2	"475720767"	NA
"822042"	822042	NA	"COc1ccc(cc1)C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c23"	0	NA	NA	2	2	"475720744"	NA
"822043"	822043	NA	"COc1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)\c2c1"	0	NA	NA	1	1	"475720690"	NA
"822044"	822044	NA	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)\c2c1"	0	NA	NA	1	1	"475720805"	NA
"822089"	822089	NA	"COc1ccc(cc1)c2cc3OC(Cc4nc5ccccc5c(c2)c34)c6cc(OC)c(OC)c(OC)c6"	0	NA	NA	1	1	"475720696"	NA
"822168"	822168	NA	"Oc1cccc(c1)c2nc([nH]c2c3ccnc(NCCCNS(=O)(=O)c4cccc(Cl)c4)c3)c5ccccc5"	0	NA	NA	1	1	"475720642"	NA
"822192"	822192	NA	"COc1cccc(c1)c2nc([nH]c2c3ccnc(NCCCNS(=O)(=O)c4cccc(Cl)c4)c3)c5ccccc5"	0	NA	NA	1	1	"475720686"	NA
"822234"	822234	NA	"CN1CCN(CC1)c2ccc(cc2)c3ccc4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3"	0	NA	NA	1	1	"475746886"	NA
"822322"	822322	NA	"CC1=C(CNO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	1	1	"475746879"	NA
"822363"	822363	NA	"O=C(Nc1ncc(Cc2ccccc2)s1)\C=C\c3cccc4ccccc34"	0	NA	NA	2	2	"475792943"	NA
"822437"	822437	NA	"OC(=O)CCCN1C(=S)S\C(=C/C(=C/c2ccccc2)/Cl)\C1=O"	0	NA	NA	1	1	"475792826"	NA
"822443"	822443	NA	"[Br-][N+]1(=C(SC)N(Cc2ccc3ccccc3c2)C(=C1)C)Cc4ccc5ccccc5c4"	0	NA	NA	2	2	"475792808"	NA
"822445"	822445	NA	"[Br-][N+]1(=C(CCCBr)N(Cc2ccc3ccccc3c2)c4ccccc14)Cc5ccc6ccccc6c5"	0	NA	NA	2	2	"475792662"	NA
"822446"	822446	NA	"[Br-][N+]1(=CN(Cc2ccc3ccccc3c2)C(=C1)Br)Cc4ccc5ccccc5c4"	0	NA	NA	1	1	"475792790"	NA
"822470"	822470	NA	"Cc1nc(NC(=N)NC(=O)Nc2ccccc2Cl)sc1C"	0	NA	NA	2	2	"475792911"	NA
"822472"	822472	NA	"Cc1ccccc1NC(=O)NC(=N)Nc2nc(C)c(C)s2"	0	NA	NA	2	2	"475792588"	NA
"822524"	822524	NA	"Cc1ccc(Cc2cnc(NC(=O)\C=C\c3cccc(C)c3)s2)cc1"	0	NA	NA	2	2	"475792591"	NA
"822612"	822612	NA	"COc1ccc(\C=C(/C#N)\n2nnc3c(F)cccc23)cc1"	0	NA	NA	2	2	"475792650"	NA
"822671"	822671	NA	"Nc1n[nH]c2cc(F)c(cc12)[C@@H]3Nc4c(F)cc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"475792721"	NA
"822672"	822672	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5nc(C)c(C)nc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"475792800"	NA
"822679"	822679	NA	"COc1c(cc(F)cc1c2nc3ccc4[nH]ncc4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	"475792822"	NA
"822705"	822705	NA	"COc1ccc(cc1)C(=O)\C=C\c2sc(Cl)nc2Cl"	0	NA	NA	1	1	"475792884"	NA
"822706"	822706	NA	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2sc(Cl)nc2Cl"	0	NA	NA	1	1	"475792812"	NA
"822723"	822723	NA	"COc1cc2nc(Cl)nc(Nc3cccc(c3)C(=O)\C=C\c4ccccc4)c2cc1OC"	0	NA	NA	2	1	"475792938"	NA
"822746"	822746	NA	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OC(F)F)cc34)[C@@H]1CC[C@@H]2OS(=O)(=O)N"	0	NA	NA	2	2	"475973534"	NA
"822747"	822747	NA	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)N)c(OC(F)F)cc34)[C@@H]1CC[C@@H]2OS(=O)(=O)N"	0	NA	NA	2	2	"475973517"	NA
"822748"	822748	NA	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)N)c(OC(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	2	2	"475973527"	NA
"822750"	822750	NA	"COc1cc(cc(OC)c1OC)C(=O)c2cc(C)c3[nH]c4ccc(Cl)cc4c3c2C"	0	NA	NA	2	2	"475973535"	"1451014224"
"822751"	822751	NA	"COc1cc(cc(OC)c1OC)C(=O)c2cc(C)c3[nH]c4ccc(C)cc4c3c2C"	0	NA	NA	2	2	"475973523"	NA
"822752"	822752	NA	"COc1cc(cc(OC)c1OC)C(=O)c2cc(C)c3[nH]c4ccc(O)cc4c3c2C"	0	NA	NA	2	2	"475973539"	NA
"822753"	822753	NA	"Cc1cc(C(=O)c2ccccc2)c(C)c3c4cc(Cl)ccc4[nH]c13"	0	NA	NA	2	2	"475973526"	NA
"822806"	822806	NA	"CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@@]23C)[C@@]1(C)CCCN"	0	NA	NA	1	1	"475977662"	NA
"822855"	822855	NA	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(Cc5cc(ccc5O)C(=O)\C=C\c6ccccc6)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	"475977657"	NA
"822858"	822858	NA	"COc1ccc(\C=C\C(=O)c2ccc(O)c(CN3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)c2)cc1"	0	NA	NA	1	1	"475977713"	NA
"822866"	822866	NA	"CC1=Nc2c(C(=O)N1c3ccc(Br)cc3)c(C)nn2c4ccccc4"	0	NA	NA	2	2	"475977710"	NA
"822868"	822868	NA	"COc1ccc(cc1)N2C(=Nc3c(C2=O)c(C)nn3c4ccccc4)C"	0	NA	NA	2	2	"475977712"	NA
"822896"	822896	NA	"CCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCC)cc6"	0	NA	NA	1	1	"476005099"	NA
"822901"	822901	NA	"COc1ccc(cc1OC)c2nc3ccc(cc3[nH]2)c4nc5ccc(cc5[nH]4)N6CCN(CC6)c7ccccc7"	0	NA	NA	1	1	"476005073"	NA
"822991"	822991	NA	"Br[N+]1(=C(N(Cc2ccc3ccccc3c2)C(=C1c4ccccc4)c5ccccc5)c6ccc(cc6)c7nc8ccccc8s7)Cc9ccc%10ccccc%10c9"	0	NA	NA	2	2	"476005102"	NA
"823015"	823015	NA	"COc1cc2nc(nc(NCCc3ccccc3)c2cc1OC)N4CCCC4"	0	NA	NA	1	1	"476005082"	NA
"823234"	823234	NA	"COc1cc(\C=C\c2cc(O)c3C=C(C(=O)C)C(=O)Oc3c2)cc4C[C@H]5[C@@](C)(CC[C@@H](O)C5(C)C)Oc14"	0	NA	NA	2	1	"476298964"	NA
"823308"	823308	NA	"CSC1=NC(=C(C#N)C(=O)N1C)c2cccc(NC(=O)CCl)c2"	0	NA	NA	1	1	"476299007"	NA
"823329"	823329	NA	"CSc1nc(Nc2cccc(NC(=O)CCl)c2)c(C#N)c(n1)c3cccc(c3)[N+](=O)[O-]"	0	NA	NA	1	1	"476298913"	NA
"823369"	823369	NA	"Clc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c(Cl)c1"	0	NA	NA	2	2	"478104817"	NA
"823370"	823370	NA	"Fc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1Cl"	0	NA	NA	2	2	"478104836"	NA
"823371"	823371	NA	"Fc1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1Cl"	0	NA	NA	2	2	"478104819"	NA
"823372"	823372	NA	"Cc1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1Cl"	0	NA	NA	2	2	"478104793"	NA
"823374"	823374	NA	"Clc1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1Br"	0	NA	NA	2	2	"478104833"	NA
"823375"	823375	NA	"Cc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1C"	0	NA	NA	2	2	"478104801"	NA
"823377"	823377	NA	"Fc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c(F)c1"	0	NA	NA	2	2	"478104805"	NA
"823461"	823461	NA	"OB1OCc2cc(\C=C\c3cccc(c3)C(F)(F)F)ccc12"	0	NA	NA	1	1	"478104783"	NA
"823644"	823644	NA	"Oc1c(Cl)cc(Cl)c2ccc(Cn3cc(nn3)c4cc(F)cc(F)c4)nc12"	0	NA	NA	1	1	"478545380"	NA
"823647"	823647	NA	"Oc1c(Cl)cc(Cl)c2ccc(Cn3cc(nn3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc12"	0	NA	NA	1	1	"478545379"	NA
"823652"	823652	NA	"Oc1c(Br)cc(Br)c2ccc(Cn3cc(nn3)c4ccc(cc4)C(F)(F)F)nc12"	0	NA	NA	1	1	"478545485"	NA
"823653"	823653	NA	"Oc1c(Cl)cc(Cl)c2ccc(Cn3cc(nn3)c4ccc(cc4)C(F)(F)F)nc12"	0	NA	NA	1	1	"478545419"	NA
"823658"	823658	NA	"Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N"	0	NA	NA	1	1	"440812495"	"2239273346"
"823659"	823659	NA	"CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1"	0	NA	NA	1	1	"440815776"	"218457671"
"823735"	823735	NA	"CN(CCCCCCCCNc1ccnc2ccccc12)Cc3ccc(cc3)c4ccc(s4)c5ccc(cc5)C#N"	0	NA	NA	2	1	"478545453"	NA
"823769"	823769	NA	"[O-][N+](=O)c1ccccc1\C=C\2/C=C(N(NC2=O)C(=O)c3ccccc3)c4ccc(Cl)c(Cl)c4"	0	NA	NA	1	1	"478545322"	NA
"823774"	823774	NA	"COc1ccc(\C=N\C2=C(C#N)C(c3ccccc3)c4c(O2)ccc5ccccc45)cc1"	0	NA	NA	1	1	"478545394"	NA
"823788"	823788	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccccn3"	0	NA	NA	1	1	"478545405"	NA
"823789"	823789	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3Cl)C(F)(F)F"	0	NA	NA	2	2	"478545482"	NA
"823792"	823792	NA	"CC(C)(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	2	"478545351"	NA
"823793"	823793	NA	"FC(F)(F)c1cccc(c1)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	1	"478545339"	NA
"823794"	823794	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3)C(C)(C)C"	0	NA	NA	2	2	"478545359"	NA
"823807"	823807	NA	"NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	"440796275"	"1691249452"
"823885"	823885	NA	"Cc1ccc(\C=C(/C#N)\c2cc3ccccc3n2C)cc1"	0	NA	NA	2	2	"478550660"	NA
"823886"	823886	NA	"Cn1c(cc2ccccc12)\C(=C\c3ccc4ccccc4c3)\C#N"	0	NA	NA	2	2	"478550579"	NA
"823936"	823936	NA	"C[C@@H](Oc1ccc(cc1C(F)(F)F)C(=O)NS(=O)(=O)C(C)(C)C)c2ccc(Oc3ccccc3)cn2"	0	NA	NA	1	1	"478550577"	NA
"823990"	823990	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4n[nH]cc4Nc5ncnc6NCCCOc56"	0	NA	NA	2	2	"478550611"	NA
"823991"	823991	NA	"C1CCN(C1)c2cccc3nc([nH]c23)c4n[nH]cc4Nc5ncnc6[nH]ccc56"	0	NA	NA	2	1	"478550683"	NA
"823992"	823992	NA	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4n[nH]cc4Nc5ncnc6[nH]ccc56"	0	NA	NA	2	2	"478550691"	NA
"823993"	823993	NA	"Nc1ccccc1NC(=O)c2ccc(CN3CCC\C(=C/c4ccccn4)\C3=O)cc2"	0	NA	NA	1	1	"478550681"	NA
"823995"	823995	NA	"CN(C)c1ccc(cc1)c2c([nH]c(C)c2C(=O)C)c3nc4cc(ccc4[nH]3)N5CCN(C)CC5"	0	NA	NA	2	2	"478550643"	NA
"823996"	823996	NA	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4[nH]c(C)c(C(=O)C)c4c5ccc(OCC6CCOCC6)cc5"	0	NA	NA	2	2	"478550645"	NA
"823999"	823999	NA	"CN(C)c1cccc2nc([nH]c12)c3n[nH]cc3Nc4ccnc(N)n4"	0	NA	NA	2	2	"478550595"	NA
"824006"	824006	NA	"CN(C)CCn1c2ccc(O)cc2c3nc4cc(C)c(C)cc4nc13"	0	NA	NA	2	1	"478550651"	NA
"824012"	824012	NA	"Cc1csc(Nc2nc(nc(n2)C(Cl)(Cl)Cl)c3cccc(Br)c3)n1"	0	NA	NA	2	2	"478550640"	NA
"824023"	824023	NA	"O=C1N(CCN2CCNCC2)C(=O)c3ccc(C#CCN4C(=O)c5cccc6cccc(C4=O)c56)c7cccc1c37"	0	NA	NA	1	1	"478835112"	NA
"824067"	824067	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OC[C@H]6COC(C)(C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"478844251"	NA
"824068"	824068	NA	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OC[C@@H]6COC(C)(C)O6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C"	0	NA	NA	2	2	"478844288"	NA
"824097"	824097	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3)C(C)C"	0	NA	NA	2	2	"478844316"	NA
"824098"	824098	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccc(c3)C(F)(F)F"	0	NA	NA	2	1	"478844309"	NA
"824183"	824183	NA	"Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5"	0	NA	NA	1	1	"440814994"	"1037624751"
"824184"	824184	NA	"Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[C@@H](O)C5)N6CCOCC6"	0	NA	NA	1	1	"440799266"	"1801344148"
"824308"	824308	NA	"C(Nc1c2ccccc2nc3ccccc13)c4ccc(cc4)c5cccs5"	0	NA	NA	1	1	"479822160"	NA
"824351"	824351	NA	"COC1C(Oc2cc(OC)c(O)c(OC)c2C1=O)c3ccc(O)c(O)c3"	0	NA	NA	2	2	"479822176"	NA
"824354"	824354	NA	"COc1c(cccc1c2nc3c(F)cc4[nH]ncc4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	"479822195"	NA
"824357"	824357	NA	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4cc5[nH]ncc5cc4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	"479822191"	NA
"824358"	824358	NA	"Nc1n[nH]c2ccc(cc12)[C@H]3[C@@H]4C5CCC(C5)[C@@H]4c6c(ccc7[nH]ncc67)N3S(=O)(=O)C8CC8"	0	NA	NA	2	2	"479822126"	NA
"824363"	824363	NA	"CN1CCC2(CC1)C(=O)Nc3cc(NC(=O)c4ccc5O[C@]6(C)C[C@@H](F)[C@@H](O)C(C)(C)[C@H]6Cc5c4)ccc23"	0	NA	NA	1	1	"479822205"	NA
"824432"	824432	NA	"CN(C)C1CN(C1)C(=O)c2cc(cnc2N)c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc56)c4c3"	0	NA	NA	2	1	"480474331"	NA
"824433"	824433	NA	"CN1CCN(CC1)C(=O)c2cc(cnc2N)c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc56)c4c3"	0	NA	NA	2	1	"480474299"	NA
"824434"	824434	NA	"Nc1ncc(cc1C=O)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	2	2	"480474336"	NA
"824439"	824439	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc5c(cnn5Cc6ccccc6F)c4)c3c2"	0	NA	NA	2	2	"480474282"	NA
"824440"	824440	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc5c(cnn5Cc6ccc(F)cc6)c4)c3c2"	0	NA	NA	1	1	"480474291"	NA
"824655"	824655	NA	"COc1ccc(cc1)[C@@H]2N3[C@@H](Cc4c2[nH]c5ccccc45)C(=O)N(CCCCCCC(=O)NO)CC3=O"	0	NA	NA	1	1	"481171343"	NA
"824663"	824663	NA	"ONC(=O)CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c5ccc(Cl)c(Cl)c5)C1=O"	0	NA	NA	1	1	"481171363"	NA
"824684"	824684	NA	"CC(C)c1ccc(cc1)C(=O)Nc2sc3c(CN(C)C)c(O)ccc3c2C(=O)N"	0	NA	NA	1	1	"481171360"	NA
"824688"	824688	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3)C(F)(F)F"	0	NA	NA	2	2	"481171282"	NA
"824723"	824723	NA	"CNCc1ccccc1c2csc(c2)[C@@H](C)Nc3nc(C)nc4cc(OC)c(OC)cc34"	0	NA	NA	1	1	"440795818"	"2244904707"
"824737"	824737	NA	"Clc1cccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	1	1	"481171299"	NA
"824738"	824738	NA	"Clc1ccc(Cl)c(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	1	1	"481171316"	NA
"824739"	824739	NA	"Fc1cc(F)cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	1	1	"481171326"	NA
"824740"	824740	NA	"COc1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1F"	0	NA	NA	2	2	"481171339"	NA
"824741"	824741	NA	"Fc1cc(Cl)cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	1	1	"481171332"	NA
"824743"	824743	NA	"Cc1cc(Cl)ccc1NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4"	0	NA	NA	2	2	"481171330"	NA
"824744"	824744	NA	"Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	2	2	"481171335"	NA
"824755"	824755	NA	"CN1CCN(CC1)c2ccc(NC3=CC(=O)c4ncncc4C3=O)cc2"	0	NA	NA	2	2	"481711538"	NA
"824756"	824756	NA	"CN1CCN(CC1)c2ccc(NC3=C(C)C(=O)c4ncncc4C3=O)cc2"	0	NA	NA	1	1	"481711505"	NA
"824758"	824758	NA	"Fc1cccc2c1nc(NNC(=O)c3cnccn3)c4cccn24"	0	NA	NA	2	2	"481711593"	NA
"824759"	824759	NA	"COc1ccc2c(c1)nc(NNC(=O)c3cnccn3)c4cccn24"	0	NA	NA	2	2	"481711546"	NA
"824761"	824761	NA	"COc1ccc2nc(NNC(=O)c3cnccn3)c4cccn4c2c1"	0	NA	NA	2	2	"481711610"	NA
"824765"	824765	NA	"Nc1ncc(cn1)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2"	0	NA	NA	1	1	"481711636"	NA
"824771"	824771	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c3c2"	0	NA	NA	2	2	"481711511"	NA
"824792"	824792	NA	"CN(C)CCOc1ccc(cc1)\C(=C(\CCCCCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)/c5ccccc5)\c6ccccc6"	0	NA	NA	2	2	"481711561"	NA
"824796"	824796	NA	"Cc1csc(Nc2nc(nc(n2)C(Cl)(Cl)Cl)c3cccc(Cl)c3)n1"	0	NA	NA	1	1	"481711569"	NA
"824834"	824834	NA	"Oc1ccc(cc1)N2C(=O)CC(N3C(=S)S\C(=C/C(=C\c4ccc(cc4)[N+](=O)[O-])/Cl)\C3=O)C2=O"	0	NA	NA	1	1	"481711583"	NA
"824842"	824842	NA	"[O-][N+](=O)c1ccc(\C=C(\Cl)/C=C/2\SC(=S)N(C3CC(=O)N(C3=O)c4ccc(Cl)cc4)C2=O)cc1"	0	NA	NA	1	1	"481711586"	NA
"824984"	824984	NA	"CC12CC=CCC1CCC3C2CCC4(C)C(CCC34O)C5=COC(=O)C=C5"	0	NA	NA	2	2	"481711585"	NA
"824985"	824985	NA	"CC12CCC=CC1CCC3C2CCC4(C)C(CCC34O)C5=COC(=O)C=C5"	0	NA	NA	2	2	"481711578"	NA
"824990"	824990	NA	"CC(C)(C)n1cc(c2ccnc(NCCNS(=O)(=O)c3cccc4ccccc34)c2)c(n1)c5cccc(F)c5"	0	NA	NA	1	1	"481711500"	NA
"825088"	825088	NA	"CCc1c(C#N)c(S[C@@H](C(=O)N)c2ccccc2)nc(N(C)C)c1C#N"	0	NA	NA	1	1	"440807533"	"2170136657"
"825089"	825089	NA	"CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)c2"	0	NA	NA	2	2	"440804121"	"1604810834"
"825107"	825107	NA	"O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)\C(=N\Nc4ccccc4)\C#N"	0	NA	NA	1	1	"481743818"	NA
"825114"	825114	NA	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2CCCCC(=O)Nc3ccccc3N)c4ccc(Cl)cc4"	0	NA	NA	1	1	"481743805"	NA
"825115"	825115	NA	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2CCCCCC(=O)Nc3ccccc3N)c4ccc(Cl)cc4"	0	NA	NA	1	1	"481743828"	NA
"825130"	825130	NA	"Cc1cccc2c3OC(=C(C#N)C(c4ccc(Cl)cc4)c3sc12)N"	0	NA	NA	2	2	"481990466"	NA
"825131"	825131	NA	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4c(C)cccc34)C#N"	0	NA	NA	2	2	"481990448"	NA
"825133"	825133	NA	"CCc1cccc2c3OC(=C(C#N)C(c4ccc(Cl)cc4)c3sc12)N"	0	NA	NA	2	2	"481990452"	NA
"825134"	825134	NA	"Cc1cccc2c3OC(=C(C#N)C(c4ccc(F)cc4)c3sc12)N"	0	NA	NA	2	2	"481990461"	NA
"825151"	825151	NA	"CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c2ccc3c(N)ncnn23)Oc4ccccc4"	0	NA	NA	1	1	"440804290"	"1809249373"
"825161"	825161	NA	"Brc1cc(ccn1)c2[nH]c(nc2c3cccc(OCCN4CCOCC4)c3)c5ccc(NC(=O)c6ccccc6)cc5"	0	NA	NA	1	1	"482044402"	NA
"825166"	825166	NA	"CC(C)OC(=O)Nc1ccc(cc1)c2nc(c3cccc(OCCN4CCOCC4)c3)c([nH]2)c5ccnc(Br)c5"	0	NA	NA	1	1	"482044401"	NA
"825180"	825180	NA	"COc1cccc(c1)c2nc([nH]c2c3ccnc(Br)c3)c4ccc(NC(=O)C(C)C)cc4"	0	NA	NA	1	1	"482091043"	NA
"825181"	825181	NA	"COc1cccc(c1)c2nc([nH]c2c3ccnc(Br)c3)c4ccc(NC(=O)c5ccccc5)cc4"	0	NA	NA	1	1	"482091041"	NA
"825186"	825186	NA	"COc1cccc(c1)c2nc([nH]c2c3ccnc(Br)c3)c4ccc(NC(=O)OC(C)C)cc4"	0	NA	NA	1	1	"482091031"	NA
"825197"	825197	NA	"COc1ccc(NC2=C(Br)C(=O)C(=C(C)C2=O)C)cc1"	0	NA	NA	1	1	"482091033"	NA
"825200"	825200	NA	"Cc1cccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)c1"	0	NA	NA	1	1	"482091032"	NA
"825201"	825201	NA	"Cc1ccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc1"	0	NA	NA	1	1	"482091035"	NA
"825217"	825217	NA	"CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3[C@@H](F)[C@@H](F)[C@@H](O)c13"	0	NA	NA	1	1	"440799301"	"1672668244"
"825254"	825254	NA	"CO[C@H]1[C@@H](C[C@H](O)CN)O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@@H]7O6)CC4=C)C[C@@H](C)C3=C"	0	NA	NA	2	2	"440801555"	"441045176"
"825286"	825286	NA	"COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]4CCOC4"	0	NA	NA	1	1	"440816002"	"2230836550"
"825331"	825331	NA	"C[C@@H](Cn1ccc(n1)c2ccc(C#N)c(Cl)c2)NC(=O)c3cc([nH]n3)C(C)O"	0	NA	NA	1	1	"440796129"	"1297538329"
"825332"	825332	NA	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c5[C@H](CCc6c(C)c(F)cc(nc34)c56)NC(=O)CO)C2=O"	0	NA	NA	2	2	"440804307"	"1599440331"
"825392"	825392	NA	"CCCCn1c(nc(c2ccccc2)c1c3ccccc3)c4ccc(cc4)C(=O)O\N=C(/N)\c5ccc(OC)cc5"	0	NA	NA	1	1	"482740207"	NA
"825397"	825397	NA	"CCCCCCn1c(nc(c2ccccc2)c1c3ccccc3)c4ccc(cc4)C(=O)O\N=C(/N)\c5ccc(OC)cc5"	0	NA	NA	1	1	"482740216"	NA
"825398"	825398	NA	"CCCCCCn1c(nc(c2ccccc2)c1c3ccccc3)c4ccc(cc4)C(=O)O\N=C(/N)\c5ccc6OCOc6c5"	0	NA	NA	1	1	"482740208"	NA
"825399"	825399	NA	"CCCCCCn1c(nc(c2ccccc2)c1c3ccccc3)c4ccc(cc4)C(=O)O\N=C(/N)\c5ccc6ccccc6c5"	0	NA	NA	2	2	"482740212"	NA
"825519"	825519	NA	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34"	0	NA	NA	2	2	"440802469"	"1847461431"
"825520"	825520	NA	"[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncn(C)n4"	0	NA	NA	1	1	"440805236"	"1609392279"
"825521"	825521	NA	"Cn1cc(cn1)c2ccc3c(c2)ncn3c4cc(NS(=O)(=O)C5CC5)cc(c4)c6ccc(F)cc6F"	0	NA	NA	1	1	"440813474"	"1430723355"
"825523"	825523	NA	"C[C@@H]1OCC2(CCN(CC2)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@@H]1N"	0	NA	NA	2	2	"440816160"	"1801765047"
"825713"	825713	NA	"C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)c2cnn(C)c2)c3ccc(Cl)cc3"	0	NA	NA	1	1	"440800094"	"2242464442"
"825827"	825827	NA	"CCS(=O)(=O)N1CCN(CC1)c2ccc(Nc3ncc(C(=O)N)c(NC4CC4)n3)cc2"	0	NA	NA	1	1	"440800120"	"1198300796"
"825940"	825940	NA	"CCOC(=O)C1=C(N)Oc2c(sc3c(C)cccc23)C1c4ccc(Cl)cc4"	0	NA	NA	1	1	"483937271"	NA
"825942"	825942	NA	"CCOC(=O)C1=C(N)Oc2c(sc3c(C)cccc23)C1c4ccc(F)cc4"	0	NA	NA	2	2	"483937286"	NA
"825945"	825945	NA	"Cc1cccc2c3OC(=C(C#N)C(c4ccc(Cl)cc4)c3sc12)\N=C\c5ccc(Cl)cc5"	0	NA	NA	2	2	"483937270"	NA
"825956"	825956	NA	"C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F"	0	NA	NA	2	2	"440799812"	"2381037825"
"825968"	825968	NA	"CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C"	0	NA	NA	1	1	"483939555"	NA
"826021"	826021	NA	"CCNCc1c(O)c2cc(ccc2nc1c3cccc(OC(F)(F)F)c3)N4CCCC4"	0	NA	NA	1	1	"484111386"	NA
"826023"	826023	NA	"COc1ccc(OC)c(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)c1"	0	NA	NA	1	1	"484111375"	NA
"826040"	826040	NA	"Fc1ccc(cc1)C#Cc2cc(ccc2c3ccncc3)C(=O)NCCCc4cn[nH]c4"	0	NA	NA	2	2	"440797119"	"1800487551"
"826091"	826091	NA	"Clc1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1I"	0	NA	NA	1	1	"484111361"	NA
"826119"	826119	NA	"CC(C)c1cnc(cc1Nc2ccncc2C(=O)NC(CO)CO)c3cc(Cl)ccc3F"	0	NA	NA	1	1	"440797111"	"1801333550"
"826120"	826120	NA	"CC(=O)Nc1ccc(NC(=O)Nc2cccc(c2)c3onc(n3)c4ccc(NC(=O)c5cccnc5)cc4Cl)cc1C(F)(F)F"	0	NA	NA	2	2	"484255202"	NA
"826121"	826121	NA	"FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)c3onc(n3)c4ccc(NC(=O)c5cccnc5)cc4Cl)ccc1NC(=O)C6CC6"	0	NA	NA	2	2	"484255179"	NA
"826122"	826122	NA	"CC(=O)Nc1ccc(NC(=O)Nc2cccc(c2)c3onc(n3)c4ccc(NC(=O)c5cccs5)cc4Cl)cc1C(F)(F)F"	0	NA	NA	2	1	"484255194"	NA
"826123"	826123	NA	"FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)c3onc(n3)c4ccc(NC(=O)c5cccs5)cc4Cl)ccc1NC(=O)C6CC6"	0	NA	NA	2	2	"484255195"	NA
"826177"	826177	NA	"CC1=C2[C@@H](O)[C@](C)(COS(=O)(=O)C)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	2	2	"484255203"	NA
"826178"	826178	NA	"CC1=C2[C@@H](O)[C@](C)(C=O)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	1	1	"484255180"	NA
"826232"	826232	NA	"C[C@]12CCc3nc(sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6cccc(O)c6"	0	NA	NA	1	1	"484468202"	NA
"826233"	826233	NA	"Cc1ccc(cc1)c2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2"	0	NA	NA	1	1	"484468308"	NA
"826235"	826235	NA	"C[C@]12CCc3nc(sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc7OCOc7c6"	0	NA	NA	1	1	"484468187"	NA
"826263"	826263	NA	"COc1ccc(NCc2cccn2CC#C)cc1"	0	NA	NA	1	1	"484468256"	NA
"826302"	826302	NA	"NC(=N)Nc1ccc(Oc2cccc(Nc3ccc(Br)c(c3)C(F)(F)F)c2)cc1"	0	NA	NA	1	1	"484468207"	NA
"826305"	826305	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(Cl)cc2)c3sc4c(CC)cccc4c3O1"	0	NA	NA	1	1	"484468238"	NA
"826306"	826306	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)cc2)c3sc4c(CC)cccc4c3O1"	0	NA	NA	1	1	"484468268"	NA
"826307"	826307	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(F)cc2)c3sc4c(CC)cccc4c3O1"	0	NA	NA	2	2	"484468277"	NA
"826308"	826308	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(F)cc2)c3sc4c(C)cccc4c3O1"	0	NA	NA	2	2	"484468232"	NA
"826309"	826309	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(Cl)cc2)c3sc4c(C)cccc4c3O1"	0	NA	NA	2	2	"484468288"	NA
"826312"	826312	NA	"CCc1cccc2c3OC(=C(C#N)C(c4ccc(Cl)cc4)c3sc12)\N=C\c5ccc(Cl)cc5"	0	NA	NA	1	1	"484468323"	NA
"826337"	826337	NA	"Cc1nn(c2ccccc2)c3ncnc(N\N=C\c4ccccc4O)c13"	0	NA	NA	2	2	"484468212"	NA
"826384"	826384	NA	"COc1cc2nc(Cl)nc(Nc3cccc(c3)C4=Nc5c(N)nc(N)nc5NC(C4)c6ccc(F)cc6)c2cc1OC"	0	NA	NA	1	1	"485101793"	NA
"826398"	826398	NA	"CC(C)(C)c1ccc(cc1)C(=O)Nc2sc3CC(O)CCc3c2C(=O)N"	0	NA	NA	1	1	"485101799"	NA
"826403"	826403	NA	"CC(C)(C)c1ccc(CC(=O)Nc2sc3CC(=O)CCc3c2C(=O)N)cc1"	0	NA	NA	2	2	"485101765"	NA
"826455"	826455	NA	"CC1(C)NCCC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(CO)CC[C@@]34C)C(=C)C=O"	0	NA	NA	1	1	"485101822"	NA
"826495"	826495	NA	"CN(c1ccc(Br)cc1)S(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4"	0	NA	NA	2	2	"485174926"	NA
"826498"	826498	NA	"Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	2	2	"485174893"	NA
"826499"	826499	NA	"Cc1cc(F)cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)c1"	0	NA	NA	2	2	"485174941"	NA
"826501"	826501	NA	"CN(c1ccc(F)cc1)S(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4"	0	NA	NA	2	2	"485174918"	NA
"826502"	826502	NA	"O=S(=O)(Nc1cccc2ccccc12)c3ccc(cc3)c4oc(nc4)C5CC5"	0	NA	NA	2	2	"485174913"	NA
"826540"	826540	NA	"[O-][N+](=O)c1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1"	0	NA	NA	2	2	"485225769"	NA
"826543"	826543	NA	"O\C(=N/c1nc2ccc(cc2s1)[N+](=O)[O-])\Nc3ccccc3"	0	NA	NA	1	1	"485225785"	NA
"826544"	826544	NA	"O\C(=N/c1oc2cc(ccc2n1)[N+](=O)[O-])\Nc3cccc(Cl)c3"	0	NA	NA	1	1	"485225740"	NA
"826546"	826546	NA	"O\C(=N/c1nc2ccc(cc2s1)[N+](=O)[O-])\Nc3ccc(Cl)cc3"	0	NA	NA	2	1	"485225811"	NA
"826548"	826548	NA	"CCN(CC)CCn1c2C(=O)c3ccc(OC)cc3Sc2c4cc(O)ccc14"	0	NA	NA	1	1	"485225761"	NA
"826603"	826603	NA	"Fc1ccc(N\N=C(/C#N)\C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4)cc1"	0	NA	NA	1	1	"485225739"	NA
"826612"	826612	NA	"Cc1[nH]c(C(=O)Nc2ccccc2OCc3cccc(c3)C(=O)NC4CCNC4)c(Cl)c1Cl"	0	NA	NA	1	1	"485225813"	NA
"826613"	826613	NA	"Cc1[nH]c(C(=O)Nc2ccccc2OCc3cccc(c3)C(=O)NC4CCCNC4)c(Cl)c1Cl"	0	NA	NA	1	1	"485225844"	NA
"826617"	826617	NA	"COc1ccc(Cl)cc1Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2"	0	NA	NA	1	1	"485225774"	NA
"826618"	826618	NA	"Cc1ccc(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)nc1"	0	NA	NA	2	2	"485225758"	NA
"826619"	826619	NA	"Cc1cccnc1Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2"	0	NA	NA	1	1	"485225850"	NA
"826621"	826621	NA	"Cc1cc(C)cc(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)c1"	0	NA	NA	1	1	"485225814"	NA
"826624"	826624	NA	"C[C@]12CCc3nc(Nc4cccc(F)c4)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	1	1	"485225839"	NA
"826640"	826640	NA	"CNCCN(C)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1NC(=O)C"	0	NA	NA	2	2	"485225784"	NA
"826647"	826647	NA	"COC(=O)c1ccc(NC2=C(Cl)C(=O)C(=C(C)C2=O)C)cc1"	0	NA	NA	1	1	"485225750"	NA
"826754"	826754	NA	"Brc1cccc(\C=N\Nc2nc(N\N=C\c3cccc(Br)c3)nc(n2)N4CCOCC4)c1"	0	NA	NA	1	1	"485354053"	NA
"826756"	826756	NA	"Oc1ccccc1\C=N\Nc2nc(N\N=C\c3ccccc3O)nc(n2)N4CCOCC4"	0	NA	NA	1	1	"485354116"	NA
"826761"	826761	NA	"IN1(=C(SCCCCCCCCCCP(I)(c2ccccc2)(c3ccccc3)c4ccccc4)N(Cc5ccc6ccccc6c5)C(=C1c7ccccc7)c8ccccc8)Cc9ccc%10ccccc%10c9"	0	NA	NA	2	2	"485354069"	NA
"826762"	826762	NA	"Br[N+]1(=C(N(Cc2ccc3ccccc3c2)C(=C1c4ccccc4)c5ccccc5)c6ccccc6)Cc7ccc8ccccc8c7"	0	NA	NA	2	2	"485354059"	NA
"826843"	826843	NA	"Cn1cc(c2nc(N)nnc2c3c[nH]c4ccccc34)c5cc(Br)ccc15"	0	NA	NA	1	1	"485354135"	NA
"826850"	826850	NA	"CCOC(=O)CNC(=O)C(N(C(=O)C#C)c1ccc(OC)cc1OC)c2cccs2"	0	NA	NA	2	2	"485354072"	NA
"826859"	826859	NA	"N=C(NC(=N)c1cccc(c1)C#N)Nc2nc3ccccc3s2"	0	NA	NA	2	2	"485354112"	NA
"826864"	826864	NA	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)cc2)c3sc4c(C)cccc4c3O1"	0	NA	NA	2	2	"485354129"	NA
"826865"	826865	NA	"CCCN1C=NC2=C(C(c3ccc(Cl)cc3)c4sc5c(CC)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485354134"	NA
"826866"	826866	NA	"CCCN1C=NC2=C(C(c3ccc(Cl)cc3)c4sc5c(C)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485354071"	NA
"826867"	826867	NA	"CCCN1C=NC2=C(C(c3ccc(OC)cc3)c4sc5c(CC)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485354103"	NA
"826868"	826868	NA	"CCCN1C=NC2=C(C(c3ccc(OC)cc3)c4sc5c(C)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485354058"	NA
"826892"	826892	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3cccc(c3)C(F)(F)F"	0	NA	NA	1	1	"485354083"	NA
"826893"	826893	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3ccc(cc3)C(F)(F)F"	0	NA	NA	1	1	"485354104"	NA
"826894"	826894	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	"485354123"	NA
"826895"	826895	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3ccc(cc3)C#N"	0	NA	NA	1	1	"485354067"	NA
"826897"	826897	NA	"CC(C)c1ccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc1"	0	NA	NA	1	1	"485354057"	NA
"826898"	826898	NA	"CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc1"	0	NA	NA	1	1	"485354054"	NA
"826903"	826903	NA	"Cn1cc(cn1)c2cc3ncnc(Nc4ccc(NC(=O)Nc5cc(on5)C(C)(C)C)cc4)c3s2"	0	NA	NA	2	2	"485512170"	NA
"826923"	826923	NA	"Clc1ccc(NC(=O)CSc2nnc(c3ccc(Cl)cc3)n2c4ccccc4)cc1"	0	NA	NA	1	1	"485512175"	NA
"826925"	826925	NA	"Fc1cccc(NC(=O)CSc2nnc(c3ccc(Cl)cc3)n2c4ccccc4)c1"	0	NA	NA	2	2	"485512186"	NA
"826964"	826964	NA	"Oc1cc(ccc1NC2=NC(=O)c3ccccc3S2)[N+](=O)[O-]"	0	NA	NA	1	1	"485512161"	NA
"826981"	826981	NA	"COc1cc(ncc1C(=O)Nc2ccc(F)cc2C(=O)Nc3cccc(c3)S(=O)(=O)C(F)(F)F)C#C"	0	NA	NA	2	2	"485618296"	NA
"826988"	826988	NA	"Clc1cccc(\C=N\Nc2nc(N\N=C\c3cccc(Cl)c3)nc(n2)N4CCOCC4)c1"	0	NA	NA	1	1	"485618319"	NA
"827001"	827001	NA	"CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c3ccc(OCCN4CCCCCC4)cc3)c5ccc(Cl)cc5"	0	NA	NA	1	1	"485618338"	NA
"827002"	827002	NA	"COc1ccc(cc1)C(=C(c2ccc(OCCN3CCCCCC3)cc2)c4ccc(OCCN5CCCCCC5)cc4)C"	0	NA	NA	2	2	"485618278"	NA
"827003"	827003	NA	"COc1ccc(cc1)C(=C(c2ccc(OCCN(C)C)cc2)c3ccc(OCCN(C)C)cc3)C"	0	NA	NA	2	1	"485618353"	NA
"827043"	827043	NA	"CCOC(=O)c1ccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc1"	0	NA	NA	1	1	"485618301"	NA
"827044"	827044	NA	"COC(=O)c1cccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)c1"	0	NA	NA	1	1	"485618352"	NA
"827051"	827051	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3ccc(C)c(C)c3"	0	NA	NA	1	1	"485618311"	NA
"827052"	827052	NA	"Cc1cc(C)cc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)c1"	0	NA	NA	1	1	"485618308"	NA
"827063"	827063	NA	"Fc1ccc2c(c1)nc(NNC(=O)c3ccncn3)c4cccn24"	0	NA	NA	2	2	"485618340"	NA
"827065"	827065	NA	"Fc1cc(F)c2c(c1)nc(NNC(=O)c3ncccn3)c4cccn24"	0	NA	NA	2	2	"485618268"	NA
"827066"	827066	NA	"Fc1cc2nc(NNC(=O)c3ccncn3)c4cccn4c2cc1F"	0	NA	NA	2	2	"485618297"	NA
"827068"	827068	NA	"Fc1cc(F)c2c(c1)nc(NNC(=O)c3cccnn3)c4cccn24"	0	NA	NA	2	2	"485618348"	NA
"827069"	827069	NA	"Fc1cc2nc(NNC(=O)c3cccnn3)c4cccn4c2cc1F"	0	NA	NA	2	1	"485618275"	NA
"827140"	827140	NA	"COc1ccc(cc1)C(=O)c2c(N)c(cn2c3cccc(OC)c3)C#N"	0	NA	NA	1	1	"485653587"	NA
"827155"	827155	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3)C4CCCCC4"	0	NA	NA	2	2	"485653603"	NA
"827195"	827195	NA	"CC(C)c1cccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)c1"	0	NA	NA	1	1	"485653617"	NA
"827196"	827196	NA	"COc1ccc(NC2=C(Cl)C(=O)C(=C(C)C2=O)C)cc1"	0	NA	NA	1	1	"485653608"	NA
"827200"	827200	NA	"CC1=C(C)C(=O)C(=C(Cl)C1=O)Nc2cccc(c2)C(F)(F)F"	0	NA	NA	1	1	"485653545"	NA
"827226"	827226	NA	"COc1ccc(CNS(=O)(=O)\N=C\2/NC(=O)NC2=C(Cl)Cl)cc1"	0	NA	NA	1	1	"485653544"	NA
"827257"	827257	NA	"CNC(=O)c1cc(ccn1)n2ccc3cc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	"485693459"	NA
"827260"	827260	NA	"NC(=O)c1cccc(n1)n2ccc3cc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	"485693513"	NA
"827265"	827265	NA	"Nc1ncc(cn1)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	1	1	"485693426"	NA
"827268"	827268	NA	"COc1cc(cnc1OC)c2ccc3ncnc(NCc4ccccc4)c3c2"	0	NA	NA	1	1	"485693506"	NA
"827272"	827272	NA	"C[C@@H](Nc1c(cnc2ccc(cc12)c3cnc(Cl)c(NS(=O)(=O)C)c3)C#N)c4ccccc4"	0	NA	NA	2	2	"485693442"	NA
"827273"	827273	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(NCc4ccccc4)c3c2"	0	NA	NA	2	2	"485693488"	NA
"827275"	827275	NA	"C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c4c(F)cc(NC5CN(CCCF)C5)cc4F"	0	NA	NA	1	1	"440805393"	"1953133475"
"827333"	827333	NA	"CCCN1C=NC2=C(C(c3ccc(F)cc3)c4sc5c(CC)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485693504"	NA
"827334"	827334	NA	"CCCN1C=NC2=C(C(c3ccc(F)cc3)c4sc5c(C)cccc5c4O2)C1=N"	0	NA	NA	2	2	"485693485"	NA
"827343"	827343	NA	"C[C@H](Nc1nc(Nc2cccc(NC(=O)C)c2)nc3ccccc13)c4ccccc4"	0	NA	NA	2	2	"485693422"	NA
"827572"	827572	NA	"O=C(CSc1nc(cc(c2cccs2)c1C#N)c3cnccn3)N\N=C\c4ccccc4"	0	NA	NA	1	1	"485948531"	NA
"827609"	827609	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3ccc(cc3)C(=O)OC(C)(C)C"	0	NA	NA	1	1	"485948461"	NA
"827611"	827611	NA	"Cc1ccc2C(=O)C(=C(Cl)C(=O)c2n1)Nc3ccccc3C(=O)OC(C)(C)C"	0	NA	NA	1	1	"485948462"	NA
"827660"	827660	NA	"Clc1ccc(Oc2ccc(\C=N\NC(=O)CSC3=Nc4ccccc4C(=O)N3c5ccc(Cl)cc5)cc2)cc1"	0	NA	NA	1	1	"485948466"	NA
"827675"	827675	NA	"OC(=O)c1ccc2C(=C(CCCc2c1)c3ccc(Cl)cc3Cl)c4ccc(O[C@H]5CCN(CCCF)C5)cc4"	0	NA	NA	1	1	"440808421"	"2114339578"
"827676"	827676	NA	"CC(=O)N1CC(F)(F)c2c(Sc3ncc(nc3N)N4CCC5(CC4)COC[C@H]5N)cccc12"	0	NA	NA	1	1	"440816625"	"2169223485"
"827679"	827679	NA	"CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](N)C(C)(C)[C@@H]6CC[C@@]45C)[C@H]2[C@H]1OC3"	0	NA	NA	1	1	"485979390"	NA
"827761"	827761	NA	"CC1=C(CN(O)C(=O)N)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	"485979399"	NA
"827762"	827762	NA	"CC1=C(CN(O)C(=O)N)C2=C(C)C3(CC3)[C@](C)(O)C(=O)C2=C1"	0	NA	NA	1	1	"485979381"	NA
"827771"	827771	NA	"CSc1ccc(cc1)\C(=N\NC(=N)N)\c2ccc(F)cc2"	0	NA	NA	2	1	"485979378"	NA
"827813"	827813	NA	"Cn1cc(c2nnc(N)nc2c3c[nH]c4ccc(F)cc34)c5cc(Br)ccc15"	0	NA	NA	1	1	"486497222"	NA
"827815"	827815	NA	"COc1ccc2[nH]cc(c3nc(N)nnc3c4cn(C)c5ccc(Br)cc45)c2c1"	0	NA	NA	1	1	"486497215"	NA
"827866"	827866	NA	"COc1ccc2[nH]cc(\C=N\Nc3ccnc4cc(Cl)ccc34)c2c1"	0	NA	NA	2	1	"486524641"	NA
"827876"	827876	NA	"CC(=C(c1ccc(OCCN2CCCC2)cc1)c3ccc(OCCN4CCCC4)cc3)c5ccc(Cl)cc5"	0	NA	NA	1	1	"486524642"	NA
"827878"	827878	NA	"CCN(CC)CCOc1ccc(cc1)C(=C(C)c2ccc(OC)cc2)c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	"486524637"	NA
"827885"	827885	NA	"CCCC1=Cc2cc(cc(N[C@@H]3CC[C@@H](O)CC3)c2C(=O)N1)n4nc(CC)c5C(=O)CC(C)(C)Cc45"	0	NA	NA	1	1	"486524595"	NA
"827886"	827886	NA	"Fc1cccc2c3c(CS(=O)(=O)c12)c(nn3c4ccc(CN5CCOCC5)cc4)C(=O)N6CCOCC6"	0	NA	NA	1	1	"440814015"	"1305267371"
"827978"	827978	NA	"COc1cc2C(=O)N(CCN(C)C)c3cc4c5OCOc5ccc4c(c1OC)c23"	0	NA	NA	2	2	"486524555"	NA
"827995"	827995	NA	"CN(CCCOc1ccc(NC(=O)CCCCCCC(=O)NO)cc1Cl)CC#C"	0	NA	NA	1	1	"488357041"	NA
"828024"	828024	NA	"CCCNNC(=O)c1ccc(cc1)c2ccc(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c4ccc(cc4)c5scnc5C)C(C)(C)C)cc2"	0	NA	NA	2	2	"488357062"	NA
"828037"	828037	NA	"C[C@@](O)(CCc1cccnc1)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C"	0	NA	NA	1	1	"488356997"	NA
"828067"	828067	NA	"Nc1nc(Nc2ccccc2SSc3ccccc3Nc4nc(N)nc(n4)c5cccc(OCC#C)c5)nc(n1)c6cccc(OCC#C)c6"	0	NA	NA	1	1	"488357037"	NA
"828085"	828085	NA	"CN(C)c1ccc(\C=N\Nc2nc(N\N=C\c3ccc(cc3)N(C)C)nc(n2)N4CCCCC4)cc1"	0	NA	NA	1	1	"488357092"	NA
"828104"	828104	NA	"CCN(CC)CCOc1ccc(cc1)C(=C(C)Cc2ccc(OC)cc2)c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	"488357078"	NA
"828117"	828117	NA	"CN(C)S(=O)(=O)c1ccc(cc1)c2nc(nc3cc(nn23)c4ccc(F)cc4)C(Cl)Cl"	0	NA	NA	1	1	"488356930"	NA
"828118"	828118	NA	"CCN(CC)S(=O)(=O)c1ccc(cc1)c2nc(nc3cc(C)nn23)C(Cl)Cl"	0	NA	NA	1	1	"488356965"	NA
"828120"	828120	NA	"CCN(CC)S(=O)(=O)c1ccc(cc1)c2nc(nc3cc(nn23)c4ccc(F)cc4)C(Cl)Cl"	0	NA	NA	1	1	"488356922"	NA
"828121"	828121	NA	"CC(=O)OC[C@H]1OC(O)C=C[C@@H]1OC(=O)C"	0	NA	NA	1	1	"488357099"	NA
"828122"	828122	NA	"Cc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CNCCN5CCOCC5)c(c4)C(F)(F)F"	0	NA	NA	1	1	"488356907"	NA
"828124"	828124	NA	"COC(=O)N1CCN(CCNCc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"488357086"	NA
"828125"	828125	NA	"Cc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CNCCN5CCNCC5)c(c4)C(F)(F)F"	0	NA	NA	1	1	"488357081"	NA
"828165"	828165	NA	"CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(F)(F)F)sc3c4CN(C)COc4ccc13"	0	NA	NA	1	1	"488356947"	NA
"828166"	828166	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(cc3)C(F)(F)F"	0	NA	NA	2	2	"488357016"	NA
"828170"	828170	NA	"CCOC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccc(c3)C(F)(F)F"	0	NA	NA	1	1	"488356932"	NA
"828174"	828174	NA	"Oc1ccc(CSc2nnc(c3ccccc3)n2c4ccccc4)c5cccnc15"	0	NA	NA	2	2	"488357009"	NA
"828175"	828175	NA	"Oc1ccc(CSc2nnc(c3ccc(cc3)[N+](=O)[O-])n2c4ccccc4)c5cccnc15"	0	NA	NA	2	2	"488356950"	NA
"828176"	828176	NA	"Oc1ccc(cc1)c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"488356980"	NA
"828177"	828177	NA	"Oc1ccccc1c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"488356981"	NA
"828178"	828178	NA	"COc1ccc(cc1)c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"488357060"	NA
"828180"	828180	NA	"Nc1ccc(cc1)c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"488357091"	NA
"828181"	828181	NA	"Oc1ccc(CSc2nnc(c3ccncc3)n2c4ccccc4)c5cccnc15"	0	NA	NA	2	2	"488356996"	NA
"828182"	828182	NA	"Oc1ccc(CSc2nnc(c3cnccn3)n2c4ccccc4)c5cccnc15"	0	NA	NA	2	2	"488356925"	NA
"828183"	828183	NA	"Oc1ccc(CSc2nnc(c3ccc(Oc4ccccc4)cc3)n2c5ccccc5)c6cccnc16"	0	NA	NA	2	2	"488356983"	NA
"828237"	828237	NA	"CCCCOc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3nccc(n3)N4CCOCC4"	0	NA	NA	1	1	"488362937"	NA
"828247"	828247	NA	"CCCC(=O)NC(c1cccnc1)c2ccc3c(C)ccnc3c2O"	0	NA	NA	1	1	"488362926"	NA
"828250"	828250	NA	"FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C3CCC(=O)NC3=O)c4ccc(Cl)cc4"	0	NA	NA	2	2	"440802509"	"1860875519"
"828251"	828251	NA	"CN1C(=O)N(C(=O)c2cccc(F)c12)c3cccc(c3C)c4c(F)cc(C(=O)N)c5[nH]c6C[C@H](CCc6c45)C(C)(C)O"	0	NA	NA	1	1	"440799695"	"1643368584"
"828252"	828252	NA	"CNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)ccnc2cc1OC"	0	NA	NA	1	1	"440807963"	"2367004542"
"828316"	828316	NA	"CC(C)NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cnn(C)c4)c(C)n2"	0	NA	NA	1	1	"440816194"	"1628606052"
"828318"	828318	NA	"C[C@@H]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4[C@H](C)COC[C@@H]4C"	0	NA	NA	2	2	"440799724"	"1927857984"
"828319"	828319	NA	"Cc1cnc(NC2CCOCC2)nc1n3cnc(c3)C(=O)N[C@H](CN)c4cc(F)cc(Cl)c4"	0	NA	NA	2	2	"440796816"	"2055597129"
"828339"	828339	NA	"COc1cc(\C=N\N2C=Nc3oc(cc3C2=N)c4ccccc4)cc(CN5CCCC5)c1O"	0	NA	NA	1	1	"488929677"	NA
"828350"	828350	NA	"Oc1ccc(CSc2oc(nn2)c3ccccc3)c4cccnc14"	0	NA	NA	1	1	"488929659"	NA
"828351"	828351	NA	"Oc1ccc(CSc2oc(nn2)c3ccc(Cl)cc3)c4cccnc14"	0	NA	NA	1	1	"488929697"	NA
"828352"	828352	NA	"Oc1ccc(CSc2oc(nn2)c3ccc(cc3)[N+](=O)[O-])c4cccnc14"	0	NA	NA	2	2	"488929679"	NA
"828353"	828353	NA	"Oc1ccc(cc1)c2oc(SCc3ccc(O)c4ncccc34)nn2"	0	NA	NA	2	1	"488929643"	NA
"828357"	828357	NA	"Nc1ccc(cc1)c2oc(SCc3ccc(O)c4ncccc34)nn2"	0	NA	NA	2	2	"488929661"	NA
"828368"	828368	NA	"ONC(=O)CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c5cccc(Br)c5)C1=O"	0	NA	NA	1	1	"488929675"	NA
"828397"	828397	NA	"CCCCCCCCNC(=O)c1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c23)cc1"	0	NA	NA	1	1	"489166351"	NA
"828479"	828479	NA	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Oc4ccc(cc4)c5n[nH]c6ncnc(N)c56)c3)CC1"	0	NA	NA	1	1	"489166364"	NA
"828481"	828481	NA	"CN1CCN(Cc2ccc(cc2I)C(=O)Nc3ccc(C)c(Oc4ccc(cc4)c5n[nH]c6ncnc(N)c56)c3)CC1"	0	NA	NA	1	1	"489166388"	NA
"828519"	828519	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(NC(=O)CCNC(=O)c4csc(n4)C#C)cc3"	0	NA	NA	1	1	"489488462"	NA
"828521"	828521	NA	"Cn1ccnc1C(=O)\C=C\C=C\c2ccc(cc2)C(=O)Nc3ccc(F)cc3"	0	NA	NA	1	1	"489488463"	NA
"828522"	828522	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(cc3F)C#C"	0	NA	NA	1	1	"489488483"	NA
"828527"	828527	NA	"CC1=C(CCC1NCC#C)c2csc(n2)C#C"	0	NA	NA	1	1	"489488411"	NA
"828551"	828551	NA	"Nc1cc(F)ccc1NC(=O)c2ccc(NC(=O)C\C=C\c3cccnc3)cn2"	0	NA	NA	1	1	"489488509"	NA
"828552"	828552	NA	"Nc1ccccc1NC(=O)c2ccc(NC(=O)C\C=C\c3cccnc3)cn2"	0	NA	NA	2	2	"489488481"	NA
"828553"	828553	NA	"Nc1ccccc1NC(=O)c2ccc(NC(=O)C\C=C\c3cccnc3)cc2"	0	NA	NA	1	1	"489488426"	NA
"828583"	828583	NA	"COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O"	0	NA	NA	1	1	"440805582"	"129425816"
"828584"	828584	NA	"COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c4ccccc4)c5ccc(cc5)C#N"	0	NA	NA	2	1	"440797141"	"2098191536"
"828611"	828611	NA	"[O-][N+](=O)c1ccc(SCCCCCCOC(=O)CCC(=O)N2CCOCC2)c3nonc13"	0	NA	NA	1	1	"490147892"	NA
"828612"	828612	NA	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(=O)NO)c2)c(OC)c1"	0	NA	NA	2	2	"490147909"	NA
"828613"	828613	NA	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCC(=O)NO)c2)c(OC)c1"	0	NA	NA	2	2	"490147907"	NA
"828658"	828658	NA	"Fc1c(cccc1C(F)(F)F)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	2	"490147825"	NA
"828660"	828660	NA	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccccc3C(F)(F)F"	0	NA	NA	1	1	"490147864"	NA
"828661"	828661	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccccc3C(F)(F)F"	0	NA	NA	1	1	"490147913"	NA
"828663"	828663	NA	"FC(F)(F)c1ccccc1C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	1	1	"490147896"	NA
"828717"	828717	NA	"C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c4ccc(NC5CN(CCCF)C5)cn4"	0	NA	NA	1	1	"440802545"	"2222844893"
"828738"	828738	NA	"Cc1nn(cc1\C=N\Nc2nc(Nc3ccccc3)nc(Nc4ccc(cc4)S(=O)(=O)N)n2)c5ccccc5"	0	NA	NA	1	1	"491112462"	NA
"828786"	828786	NA	"Oc1ccc(cc1C(=O)Nc2ccc(F)c(F)c2)c3ccc(F)cc3F"	0	NA	NA	1	1	"491112475"	NA
"828787"	828787	NA	"Oc1ccc(cc1C(=O)Nc2cccc(c2)C#N)c3ccc(F)cc3F"	0	NA	NA	1	1	"491112460"	NA
"828788"	828788	NA	"Fc1ccc(c(F)c1)c2ccc3OC(=O)N(C(=O)c3c2)c4ccc(F)c(F)c4"	0	NA	NA	1	1	"491112413"	NA
"828789"	828789	NA	"NCCN1CCN(CC1)c2nc(nc3nc(oc23)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	"491112468"	NA
"828790"	828790	NA	"CN(Cc1ccccc1)S(=O)(=O)\N=C\2/NC(=O)NC2=C(Cl)Cl"	0	NA	NA	1	1	"491112442"	NA
"828791"	828791	NA	"CN(CC=C)S(=O)(=O)\N=C\1/NC(=O)NC1=C(Cl)Cl"	0	NA	NA	1	1	"491112384"	NA
"828796"	828796	NA	"O=C1CC2(CCOCC2)Oc3ncccc13"	0	NA	NA	1	1	"491112428"	NA
"828816"	828816	NA	"CCC(CC)N1C(=O)\C(=C\2/SC3=NNC4C(N(CC)C(=O)N4CC)N3C2=O)\c5ccccc15"	0	NA	NA	2	2	"491112466"	NA
"828852"	828852	NA	"CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cccc6[nH]ncc56"	0	NA	NA	2	2	"440811289"	"945396554"
"828853"	828853	NA	"COC(=O)N1[C@@H](C)CCc2c1ccc3c2nc(Cc4ccccc4)n3[C@H]5CCC[C@@H](C5)C(=O)O"	0	NA	NA	1	1	"440797285"	"2304416917"
"828905"	828905	NA	"ClC(Cl)c1nc(c2occc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	2	2	"491765464"	NA
"828906"	828906	NA	"Cc1ccc(cc1)c2cc3nc(nc(c4occc4)n3n2)C(Cl)Cl"	0	NA	NA	2	2	"491765448"	NA
"828907"	828907	NA	"Fc1ccc(cc1)c2cc3nc(nc(c4occc4)n3n2)C(Cl)Cl"	0	NA	NA	2	2	"491765484"	NA
"828908"	828908	NA	"Cc1cc2nc(nc(c3cccs3)n2n1)C(Cl)Cl"	0	NA	NA	1	1	"491765471"	NA
"828909"	828909	NA	"ClC(Cl)c1nc(c2cccs2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	"491765430"	NA
"828911"	828911	NA	"Fc1ccc(cc1)c2cc3nc(nc(c4cccs4)n3n2)C(Cl)Cl"	0	NA	NA	1	1	"491765459"	NA
"828939"	828939	NA	"Clc1cc(Nc2ncnc3cc(OCCN4CCOCC4)c(NC(=O)C=C)cc23)ccc1OCc5ccccn5"	0	NA	NA	2	2	"441612643"	"2414572475"
"828967"	828967	NA	"Oc1ccc(CSc2oc(nn2)c3ccc(Oc4ccccc4)cc3)c5cccnc15"	0	NA	NA	1	1	"491765474"	NA
"828968"	828968	NA	"Cc1ccc(cc1)c2oc(SCc3ccc(O)c4ncccc34)nn2"	0	NA	NA	1	1	"491765452"	NA
"828969"	828969	NA	"Oc1cccc2ccc(nc12)c3oc(SCc4ccc(O)c5ncccc45)nn3"	0	NA	NA	2	2	"491765480"	NA
"828973"	828973	NA	"Oc1ccc(CSc2nnc(c3ccc(Cl)cc3)n2c4ccccc4)c5cccnc15"	0	NA	NA	2	2	"491765410"	NA
"828974"	828974	NA	"Cc1ccc(cc1)c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"491765446"	NA
"828975"	828975	NA	"COc1cc(cc(OC)c1OC)c2nnc(SCc3ccc(O)c4ncccc34)n2c5ccccc5"	0	NA	NA	2	2	"491765483"	NA
"828976"	828976	NA	"Oc1cccc2ccc(nc12)c3nnc(SCc4ccc(O)c5ncccc45)n3c6ccccc6"	0	NA	NA	2	2	"491765467"	NA
"829024"	829024	NA	"COc1ccc(Cn2cc3c(CCc4c(CN5CCCC5)noc34)c2c6cc(OC)c(OC)c(OC)c6)cc1"	0	NA	NA	1	1	"491791275"	NA
"829025"	829025	NA	"COc1ccc(Cn2cc3c(CCc4c(CN5CCOCC5)noc34)c2c6cc(OC)c(OC)c(OC)c6)cc1"	0	NA	NA	2	2	"491791222"	NA
"829066"	829066	NA	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5cc(F)c(C)c6CC[C@H](N)c4c56)C2=O"	0	NA	NA	2	2	"441613449"	"169869903"
"829138"	829138	NA	"CCCCCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCN(C)CC3)c4csc(NC(=O)CN5CCN(C)CC5)n4"	0	NA	NA	2	1	"494393648"	NA
"829143"	829143	NA	"COc1cc(\C=N\NC(=O)C2=CN(C3CC3)c4c(OC)c(N5CC6CCCNC6C5)c(F)cc4C2=O)ccc1O"	0	NA	NA	1	1	"494393706"	NA
"829162"	829162	NA	"CCN(CC)c1ccc2C(Sc3ccc(F)cc3)c4c(N)c(C#N)c(N)nc4Oc2c1"	0	NA	NA	1	1	"494393649"	NA
"829310"	829310	NA	"NC(=N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)cn1"	0	NA	NA	1	1	"494393613"	NA
"829314"	829314	NA	"Nc1ncc(cn1)c2ccc3ncnc(N4CCc5cc(F)c(F)cc45)c3c2"	0	NA	NA	1	1	"494393588"	NA
"829317"	829317	NA	"CC(Nc1c(cnc2ccc(cc12)c3cnc(N)nc3)C#N)c4ccccc4"	0	NA	NA	2	1	"494393671"	NA
"829319"	829319	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(NCc4ccccc4O)c3c2"	0	NA	NA	2	2	"494393618"	NA
"829320"	829320	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(NCc4ccccc4F)c3c2"	0	NA	NA	2	2	"494393662"	NA
"829321"	829321	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(NCc4cccc(F)c4)c3c2"	0	NA	NA	2	2	"494393667"	NA
"829322"	829322	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(Nc4cccc(Cl)c4F)c3c2"	0	NA	NA	2	2	"494393687"	NA
"829326"	829326	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(CNC(=O)c3ccc(cc3)C#C)cc2"	0	NA	NA	1	1	"494393564"	NA
"829328"	829328	NA	"Cn1ccnc1C(=O)\C=C\c2csc(n2)C#C"	0	NA	NA	2	2	"494393659"	NA
"829330"	829330	NA	"Cn1ccnc1C(=O)\C=C\c2ccc(NC(=O)c3ccc(F)cc3)cc2"	0	NA	NA	1	1	"494393668"	NA
"829376"	829376	NA	"CCn1c2ccccc2c3cc(ccc13)n4nncc4c5ccccc5"	0	NA	NA	2	2	"495638846"	"2097938731"
"829396"	829396	NA	"CCC1=Cc2cc(OC)ccc2OC13Oc4ccc(OC)cc4C=C3"	0	NA	NA	2	2	"495638892"	NA
"829400"	829400	NA	"COc1cc(\C=C\C(=O)c2ccc(NC(=O)CSc3nnc(c4c[nH]c5ccccc45)n3CC=C)cc2)cc(OC)c1OC"	0	NA	NA	1	1	"495638854"	NA
"829431"	829431	NA	"CCOc1ccc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc1"	0	NA	NA	1	1	"495638775"	NA
"829432"	829432	NA	"COc1ccccc1NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O"	0	NA	NA	1	1	"495638842"	NA
"829433"	829433	NA	"CCOc1ccccc1NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O"	0	NA	NA	1	1	"495638789"	NA
"829436"	829436	NA	"CN(C)CCNC(=O)c1ccc(cc1)c2nc3ccc4[nH]ncc4c3c5CCCc25"	0	NA	NA	2	2	"495638780"	NA
"829437"	829437	NA	"O=C(NCCN1CCCC1)c2ccc(cc2)c3nc4ccc5[nH]ncc5c4c6CCCCc36"	0	NA	NA	2	2	"495638837"	NA
"829438"	829438	NA	"CN(C)CCNC(=O)c1ccc(cc1)c2nc3ccc4[nH]ncc4c3c5CCOCc25"	0	NA	NA	1	1	"495638767"	NA
"829441"	829441	NA	"O=C(NCc1ncc[nH]1)c2ccc(cc2)c3nc4ccc5[nH]ncc5c4c6CCCCc36"	0	NA	NA	1	1	"495638762"	NA
"829442"	829442	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCC(C)(C)O)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"495638884"	NA
"829443"	829443	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCC6(C)COC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"495638772"	NA
"829444"	829444	NA	"FC(F)(F)Oc1ccccc1S(=O)(=O)Nc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2"	0	NA	NA	2	2	"495638805"	NA
"829497"	829497	NA	"CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3[C@H](F)[C@@H](F)[C@@H](O)c13"	0	NA	NA	1	1	"441613252"	"1672668517"
"829498"	829498	NA	"CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12"	0	NA	NA	1	1	"441613247"	"1194506267"
"829500"	829500	NA	"Fc1cc(F)c2c(c1)nc(NNC(=O)c3cnccn3)c4cccn24"	0	NA	NA	2	2	"495657836"	NA
"829504"	829504	NA	"OC1CCN(Cc2ccc3c(NNC(=O)c4cnccn4)nc5cc(F)ccc5n23)C1"	0	NA	NA	2	2	"495657942"	NA
"829506"	829506	NA	"OCc1ccc2c(NNC(=O)c3cnccn3)nc4cc(F)ccc4n12"	0	NA	NA	2	2	"495657933"	NA
"829507"	829507	NA	"Fc1cc2nc(NNC(=O)c3ncccn3)c4ccc(CN5CC6CNCC6C5)n4c2cc1F"	0	NA	NA	1	1	"495657950"	NA
"829515"	829515	NA	"COc1ccc(Cn2cc3c(CCCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	1	1	"495657885"	NA
"829519"	829519	NA	"COc1ccc(Cn2cc3c(CCCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1N"	0	NA	NA	2	2	"495657856"	NA
"829521"	829521	NA	"Oc1ccc(CSc2oc(nn2)c3cnccn3)c4cccnc14"	0	NA	NA	2	2	"495657900"	NA
"829594"	829594	NA	"CSc1ccc(cc1)\C(=N\NC(=N)N)\c2ccccc2"	0	NA	NA	2	2	"495657909"	NA
"829599"	829599	NA	"CNC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3ccc(F)cc3F"	0	NA	NA	2	2	"495657827"	NA
"829605"	829605	NA	"Fc1ccc(cc1Cl)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	2	"495657833"	NA
"829661"	829661	NA	"FC(F)(F)c1cc(Br)cc(c1)c2cc(n[nH]2)c3ccc4OCCOc4c3"	0	NA	NA	2	2	"495658009"	NA
"829721"	829721	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccc(Cl)cc2)\c3ccc(OCCN4CCCC4)cc3"	0	NA	NA	1	1	"496123167"	NA
"829723"	829723	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN(C)C)cc3"	0	NA	NA	1	1	"496123113"	NA
"829740"	829740	NA	"CCN1C2N\C(=N/N=C/c3ccc(OC)cc3)\SC2N(CC)C1=O"	0	NA	NA	2	2	"496123121"	NA
"829741"	829741	NA	"COc1ccccc1\C=C\C=N\N=C\2/NC3C(S2)N(C)C(=O)N3c4ccccc4"	0	NA	NA	2	2	"496123101"	NA
"829742"	829742	NA	"CCN1C2N\C(=N\N=C\C=C\c3ccccc3OC)\SC2N(CC)C1=O"	0	NA	NA	2	2	"496123156"	NA
"829756"	829756	NA	"CC[C@@]12CC(=C3Nc4ccccc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC"	0	NA	NA	2	2	"496123169"	NA
"829757"	829757	NA	"CC[C@@]12CC(=C3Nc4cc5O[C@@H]6[C@@H](O)[C@@]7(CC)CC(=C8Nc9cc(O)ccc9[C@@]8%10CC[N@@]([C@@H]6c5cc4[C@@]3%11CC[N@@](CC=C1)C2%11)C7%10)C(=O)OC)C(=O)OC"	0	NA	NA	2	2	"496123163"	NA
"829758"	829758	NA	"CC[C@@]12CC(=C3Nc4cc5O[C@@H]6[C@@H](O)[C@@]7(CC)CC(=C8Nc9cc(OC)ccc9[C@@]8%10CCN([C@@H]6c5cc4[C@@]3%11CCN(CC=C1)[C@@H]2%11)[C@@H]7%10)C(=O)OC)C(=O)OC"	0	NA	NA	2	1	"496123140"	NA
"829766"	829766	NA	"ONC(=O)CCCCCCNC(=O)c1csc(Br)n1"	0	NA	NA	1	1	"496123149"	NA
"829767"	829767	NA	"ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C"	0	NA	NA	2	2	"496123182"	NA
"829769"	829769	NA	"ONC(=O)CCCCCC\C=C/c1csc(n1)C#C"	0	NA	NA	1	1	"496123192"	NA
"829771"	829771	NA	"ONC(=O)CCCCCC\C=C\c1csc(n1)C#C"	0	NA	NA	1	1	"496123162"	NA
"829773"	829773	NA	"ONC(=O)\C=C\c1csc(n1)C#C"	0	NA	NA	1	1	"496123118"	NA
"829793"	829793	NA	"COc1ccc2OC3(Oc4ccc(OC)cc4C=C3C)C=Cc2c1"	0	NA	NA	2	2	"496123191"	NA
"829794"	829794	NA	"COc1cccc2OC3(Oc4cccc(OC)c4C=C3C)C=Cc12"	0	NA	NA	2	2	"496123128"	NA
"829798"	829798	NA	"CCC1=Cc2c(OC)cccc2OC13Oc4cccc(OC)c4C=C3"	0	NA	NA	1	1	"496123183"	NA
"829820"	829820	NA	"FC(F)(F)c1cc(NC(=O)Nc2ccc3OC(=O)C=Cc3c2)cc(c1)C(F)(F)F"	0	NA	NA	2	1	"496144089"	NA
"829827"	829827	NA	"CNC(=O)c1cc(Oc2ccc3c(c2)sc4nc(cn34)c5ccc(cc5)N(C)C)ccn1"	0	NA	NA	2	2	"496144125"	NA
"829830"	829830	NA	"CNC(=O)c1cc(ccn1)n2ccc3cc(NC(=O)Nc4ccc(N5CCN(C)CC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	"496144119"	NA
"829863"	829863	NA	"CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cc(ccc3OCC#C)c4csc(NC(=O)C=C)n4"	0	NA	NA	1	1	"496144123"	NA
"829865"	829865	NA	"CCCCCc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2cccc(c2)c3csc(n3)N(CCN4CCN(C)CC4)C(=O)C"	0	NA	NA	1	1	"496144095"	NA
"829910"	829910	NA	"CNC(=O)c1cc(ccn1)N2CCc3cc(NC(=O)Nc4ccc(N5CCN(C)CC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	"496144099"	NA
"829928"	829928	NA	"NC(=S)N1C(=O)N(C(=O)c2cc(ccc12)c3ccc(F)cc3F)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"496170941"	NA
"829929"	829929	NA	"NN1C(=O)N(C(=O)c2cc(ccc12)c3ccc(F)cc3F)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"496170935"	NA
"829930"	829930	NA	"ON1C(=O)N(C(=O)c2cc(ccc12)c3ccc(F)cc3F)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"496170919"	NA
"829931"	829931	NA	"NC(=O)N1C(=O)N(C(=O)c2cc(ccc12)c3ccc(F)cc3F)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	"496170859"	NA
"829933"	829933	NA	"Fc1ccc(c(F)c1)c2ccc3N(Nc4ccccc4)C(=O)N(C(=O)c3c2)c5cccc(c5)C(F)(F)F"	0	NA	NA	1	1	"496170819"	NA
"829980"	829980	NA	"C[C@]12CCc3nc(Nc4cccc(Cl)n4)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	2	1	"496170926"	NA
"829981"	829981	NA	"COc1cc(C)nc(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)n1"	0	NA	NA	1	1	"496170881"	NA
"829982"	829982	NA	"C[C@]12CCc3nc(Nc4ccncc4)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	2	2	"496170839"	NA
"829983"	829983	NA	"C[C@]12CCc3nc(Nc4cc(Cl)ccn4)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	2	1	"496170832"	NA
"829984"	829984	NA	"COc1ccc(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)cn1"	0	NA	NA	1	1	"496170950"	NA
"830018"	830018	NA	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4cc(Br)ccc4[nH]c3c5ccc6ccccc6c25"	0	NA	NA	1	1	"496170902"	NA
"830019"	830019	NA	"Brc1ccc2[nH]c3c4ccc5ccccc5c4c6C(=O)N(CCN7CCCCC7)C(=O)c6c3c2c1"	0	NA	NA	1	1	"496170965"	NA
"830020"	830020	NA	"Brc1ccc2[nH]c3c4ccc5ccccc5c4c6C(=O)N(CCN7CCNCC7)C(=O)c6c3c2c1"	0	NA	NA	1	1	"496170912"	NA
"830026"	830026	NA	"O=C1NC(=O)c2c1c3c4ccccc4ccc3c5[nH]c6ccccc6c25"	0	NA	NA	2	2	"496170953"	NA
"830044"	830044	NA	"Cc1ccc(cc1)c2csc(N\N=C\c3nc4ccccc4n3C5CC5)n2"	0	NA	NA	1	1	"496170882"	NA
"830095"	830095	NA	"COC1=CC=C(C(=CC1=O)C)c2c(C)cc(OC)c(OC)c2OC"	0	NA	NA	1	1	"496170910"	NA
"830097"	830097	NA	"COC1=CC(=C(C=CC1=O)c2c(C)cc(OC)c(OC)c2OC)C"	0	NA	NA	1	1	"496170835"	NA
"830101"	830101	NA	"CCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(O)C(C)C\C=C\C)C(=O)N[C@@](C)(CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@](C)(CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)CC(C)C"	0	NA	NA	1	1	"496170972"	NA
"830110"	830110	NA	"CCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(C)C(=O)NCCC(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NCCC(=O)O"	0	NA	NA	2	1	"496170964"	NA
"830166"	830166	NA	"COc1ccc2c(c1)c(\C=N\Nc3ccnc4cc(Cl)ccc34)cn2C"	0	NA	NA	2	1	"496177330"	NA
"830173"	830173	NA	"CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]2(C)CCC[C@H](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45"	0	NA	NA	2	2	"441614055"	"1816989168"
"830194"	830194	NA	"Cc1ccc(cc1)S(=O)(=O)c2nc(oc2S(=O)(=O)C)c3ccc(F)cc3"	0	NA	NA	2	2	"496200775"	NA
"830201"	830201	NA	"OC[C@@H]1CC[C@H](CO1)Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23"	0	NA	NA	2	2	"441612883"	"2095393158"
"830202"	830202	NA	"Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN4C[C@H](O)C[C@@H]4C(=O)O)cc2Cl)cccc1c5ccc6OCCOc6c5"	0	NA	NA	1	1	"441613877"	"1818314883"
"830255"	830255	NA	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(cc2)S(=O)(=O)N)c(O)c1"	0	NA	NA	2	2	"496200700"	NA
"830259"	830259	NA	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(NS(=O)(=O)C)cc2)c(O)c1"	0	NA	NA	2	2	"496200759"	NA
"830262"	830262	NA	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(NS(=O)(=O)C)cc2)cc1"	0	NA	NA	2	2	"496200746"	NA
"830264"	830264	NA	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(cc2)S(=O)(=O)N)cc1"	0	NA	NA	2	2	"496200690"	NA
"830290"	830290	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCC6COC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200685"	NA
"830291"	830291	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCC(F)F)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200684"	NA
"830292"	830292	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCCCS(=O)(=O)C)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200723"	NA
"830293"	830293	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OC6CCOCC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200808"	NA
"830294"	830294	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(N)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200722"	NA
"830295"	830295	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(NCCO)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200811"	NA
"830296"	830296	NA	"CN(C)CCNc1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	2	2	"496200718"	NA
"830297"	830297	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(nn45)N6CCOCC6)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200741"	NA
"830298"	830298	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(O[C@@H]6CCOC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200748"	NA
"830299"	830299	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(O[C@H]6CCOC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"496200710"	NA
"830303"	830303	NA	"CCN1CCN(CC1)c2ccc(NC(=O)Nc3ccc4c(ccn4c5ccnc(c5)C(=O)NC)c3)cc2C(F)(F)F"	0	NA	NA	1	1	"496200739"	NA
"830316"	830316	NA	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5c(CCc6cn(CCCN7CCCCC7)cc56)sc4n3)c1"	0	NA	NA	1	1	"496200698"	NA
"830368"	830368	NA	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cnc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1"	0	NA	NA	1	1	"441612832"	"895519912"
"830383"	830383	NA	"CCOc1ccc(nc1)c2nnc([C@@H]3C[C@H](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F"	0	NA	NA	1	1	"496408262"	NA
"830414"	830414	NA	"CN(C)CCn1c2ccc(cc2c3nc4cc(C)c(C)cc4nc13)C#N"	0	NA	NA	2	1	"496703494"	NA
"830444"	830444	NA	"[O-][N+](=O)c1ccc(\C=N/NC(=O)c2ccc3[nH]c(nc3c2)c4ccc(Br)cc4)cc1"	0	NA	NA	2	1	"496703522"	NA
"830445"	830445	NA	"COc1ccc(\C=N/NC(=O)c2ccc3[nH]c(nc3c2)c4ccc(Br)cc4)cc1"	0	NA	NA	1	1	"496703489"	NA
"830492"	830492	NA	"Clc1ccc(Cc2cnc(NC(=O)\C=C\c3cc(Cl)ccc3Cl)s2)cc1"	0	NA	NA	2	2	"496703490"	NA
"830494"	830494	NA	"Clc1ccc(Cl)c(Cc2cnc(NC(=O)\C=C\c3ccccc3Cl)s2)c1"	0	NA	NA	2	1	"496703461"	NA
"830542"	830542	NA	"CC(=O)C(=NNc1ccc2OC(=O)C=Cc2c1)C(=O)C"	0	NA	NA	1	1	"496703483"	NA
"830552"	830552	NA	"ON=C1c2cc(ccc2c3ccc(cc13)S(=O)(=O)NC4CC5CCC4C5)S(=O)(=O)NC6CC7CCC6C7"	0	NA	NA	2	2	"496703438"	NA
"830560"	830560	NA	"CCN1C2N\C(=N/N=C/c3ccccc3)\SC2N(CC)C1=O"	0	NA	NA	2	2	"497391929"	NA
"830561"	830561	NA	"CCN1C2N\C(=N/N=C/c3ccc(F)cc3)\SC2N(CC)C1=O"	0	NA	NA	2	2	"497391925"	NA
"830562"	830562	NA	"CCN1C2N\C(=N/N=C/c3cccs3)\SC2N(CC)C1=O"	0	NA	NA	2	2	"497391914"	NA
"830563"	830563	NA	"CCN1C2N\C(=N/N=C/c3ccccc3F)\SC2N(CC)C1=O"	0	NA	NA	2	2	"497391941"	NA
"830618"	830618	NA	"CC(=O)Nc1cccc(c1)n2cnc3cc(ccc23)c4ccc(O)cc4"	0	NA	NA	1	1	"497392004"	NA
"830619"	830619	NA	"CCOC(=O)Nc1cccc(c1)n2cnc3cc(ccc23)c4ccc(O)cc4"	0	NA	NA	2	2	"497391890"	NA
"830631"	830631	NA	"Nc1nc(N)c2N=C(CC(Nc2n1)c3ccccc3)c4ccc(Nc5nc(NCCO)nc(Nc6ccc(Cl)cc6)n5)cc4"	0	NA	NA	1	1	"497391992"	NA
"830635"	830635	NA	"Nc1nc(N)c2N=C(CC(Nc2n1)c3ccc(Cl)cc3)c4ccc(Nc5nc(NCCO)nc(Nc6ccc(Cl)cc6)n5)cc4"	0	NA	NA	1	1	"497391946"	NA
"830646"	830646	NA	"ON1C(=O)c2c(C1=O)c3c4ccccc4[nH]c3c5oc6ccc(O)cc6c25"	0	NA	NA	2	2	"497391902"	NA
"830655"	830655	NA	"COc1ccc(cc1OC)c2cc(c3cccc4ccccc34)n5c6ccccc6nc5n2"	0	NA	NA	1	1	"497392059"	NA
"830668"	830668	NA	"CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)N\N=C\c5cc[nH]c5"	0	NA	NA	1	1	"497391959"	NA
"830689"	830689	NA	"Fc1ccc(cc1)c2oc(\C=C(/C#N)\C(=O)Nc3ncc(Cc4ccc(Cl)cc4Cl)s3)cc2"	0	NA	NA	1	1	"497392039"	NA
"830750"	830750	NA	"CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](NCO)C(C)(C)[C@@H]6CC[C@@]45C)[C@H]2[C@H]1OC3"	0	NA	NA	1	1	"497399960"	NA
"830803"	830803	NA	"COc1cc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc(OC)c1"	0	NA	NA	1	1	"497399891"	NA
"830805"	830805	NA	"Cc1ccccc1N2CCN(CC2)C3=C(Cl)C(=O)c4ncccc4C3=O"	0	NA	NA	1	1	"497399967"	NA
"830807"	830807	NA	"Cc1ccc(cc1)N2CCN(CC2)C3=C(Cl)C(=O)c4ncccc4C3=O"	0	NA	NA	1	1	"497400106"	NA
"830812"	830812	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccc(OC)cc2)\c3ccc(OCCN4CCCCCC4)cc3"	0	NA	NA	1	1	"497400047"	NA
"830896"	830896	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)nc4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"497399900"	NA
"830897"	830897	NA	"COCCOc1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	2	2	"497399961"	NA
"830898"	830898	NA	"CN(C)CCN(C)c1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	1	1	"497399881"	NA
"830899"	830899	NA	"CC[C@H](CO)Nc1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	2	2	"497399964"	NA
"830900"	830900	NA	"CC[C@@H](CO)Nc1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	2	2	"497400014"	NA
"830901"	830901	NA	"COCCNc1ccc2ncc(C#Cc3cncc(c3)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)n2n1"	0	NA	NA	2	2	"497400021"	NA
"830902"	830902	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(NCCCO)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"497399926"	NA
"830912"	830912	NA	"CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1"	0	NA	NA	2	2	"441613985"	"1853164836"
"830921"	830921	NA	"COC(=O)c1coc(n1)c2nc3oc2[C@]4(C(=O)Nc5ccc(CC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@H]3C(C)(C)C)cc45)c6ccccc6"	0	NA	NA	2	2	"497400089"	NA
"830922"	830922	NA	"COC(=O)c1coc(n1)c2nc3oc2[C@@]4(C)C(=O)Nc5ccc(C[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@H]3C(C)(C)C)cc45"	0	NA	NA	2	2	"497399973"	NA
"830957"	830957	NA	"COc1ccc2[nH]cc(c3csc4nc(cn34)c5ccccc5)c2c1"	0	NA	NA	2	2	"497401487"	NA
"830973"	830973	NA	"Cc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4"	0	NA	NA	1	1	"497401468"	NA
"830989"	830989	NA	"Brc1ccc2[nH]cc(c3nn4cc(nc4s3)c5nccs5)c2c1"	0	NA	NA	2	2	"497401491"	NA
"831019"	831019	NA	"CNC(=O)c1cc(ccn1)N2CCc3cc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	"497401495"	NA
"831027"	831027	NA	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4cccc(OCc5ccc(Cl)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	"497401559"	NA
"831032"	831032	NA	"CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3NC(=O)[C@](C)(c4oc(nc4c5occ(n5)C(=O)OCc6ccccc6)[C@@H](NC1=O)C(C)(C)C)c3c2"	0	NA	NA	2	2	"497401478"	NA
"831096"	831096	NA	"COc1ccc(CCOc2cc3C(N(CCc3cc2OC)C(=O)NCc4cocn4)c5ccc(C)cc5C)cc1"	0	NA	NA	2	1	"497415642"	NA
"831097"	831097	NA	"CCNC(=O)N1CCc2cc(OC)c(OCCc3ccc(OC)nc3)cc2C1c4ccc(C)cc4C"	0	NA	NA	2	2	"497415625"	NA
"831098"	831098	NA	"CCNC(=O)N1CCc2cc(OC)c(OCCc3ccc(OC)c(N)c3)cc2C1c4ccc(C)cc4C"	0	NA	NA	2	2	"497415730"	NA
"831100"	831100	NA	"CCNC(=O)N1CCc2cc(OC)c(OCCc3ccc(OC)cc3)cc2C1c4ccc(cc4C)[N+](=O)[O-]"	0	NA	NA	1	1	"497415612"	NA
"831101"	831101	NA	"CCNC(=O)N1CCc2cc(OC)c(OCCc3ccc(OC)cc3)cc2C1c4ccc(Cl)cc4C"	0	NA	NA	2	2	"497415731"	NA
"831102"	831102	NA	"CCNC(=O)N1CCc2cc(OC)c(OCCc3ccc(OC)cc3)cc2C1c4ccc(OC)cc4C"	0	NA	NA	2	2	"497415640"	NA
"831116"	831116	NA	"Cc1[nH]c(C(=O)Nc2ccc(cc2OCCOCCOCCOCCOCCOCCOCCOCCOCCOc3cc(ccc3NC(=O)c4[nH]c(C)c5C(=O)CCCCc45)S(=O)(=O)N6CCCCC6)S(=O)(=O)N7CCCCC7)c8CCCCC(=O)c18"	0	NA	NA	2	2	"497415592"	NA
"831136"	831136	NA	"CSc1ccc(cc1)\C(=N\NC(=N)N)\c2ccc(Cl)cc2"	0	NA	NA	2	1	"497415718"	NA
"831140"	831140	NA	"COc1ccc(cc1OC)\C(=N/NC(=S)N)\c2ccc(Cl)cc2"	0	NA	NA	2	1	"497415660"	NA
"831147"	831147	NA	"OC1(CC(=O)c2ccc(cc2)C3CC3)C(=O)Nc4c(Cl)ccc(Cl)c14"	0	NA	NA	2	2	"441613338"	"1903783787"
"831161"	831161	NA	"CCOc1ccc(cc1)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2"	0	NA	NA	2	2	"497415688"	NA
"831162"	831162	NA	"COc1ccc(cc1)C(=O)Nc2ncc(Cc3ccccc3Cl)s2"	0	NA	NA	2	2	"497415582"	NA
"831169"	831169	NA	"COc1ccc(cc1F)[C@H]2[C@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497415670"	NA
"831170"	831170	NA	"COc1ccc(cc1F)[C@@H]2[C@@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497415683"	NA
"831171"	831171	NA	"COc1ccc(cc1)[C@@H]2[C@H](N(C2=O)c3cc(OC)c(OC)c(OC)c3)c4ccc(OC)c(O)c4"	0	NA	NA	1	1	"497415646"	NA
"831172"	831172	NA	"COc1ccc(cc1)[C@H]2[C@@H](N(C2=O)c3cc(OC)c(OC)c(OC)c3)c4ccc(OC)c(O)c4"	0	NA	NA	1	1	"497415695"	NA
"831192"	831192	NA	"CCc1cccc2c3OC(=C(C#N)C(c4ccc(F)cc4)c3sc12)\N=C\c5ccc(Cl)cc5"	0	NA	NA	1	1	"497415644"	NA
"831193"	831193	NA	"Cc1cccc2c3OC(=C(C#N)C(c4ccc(F)cc4)c3sc12)\N=C\c5ccc(Cl)cc5"	0	NA	NA	2	2	"497415709"	NA
"831194"	831194	NA	"CCc1cccc2c3OC(=C(C#N)C(c4ccc(OC)cc4)c3sc12)\N=C\c5ccc(Cl)cc5"	0	NA	NA	1	1	"497415594"	NA
"831195"	831195	NA	"COc1ccc(cc1)C2C(=C(Oc3c2sc4c(C)cccc34)\N=C\c5ccc(Cl)cc5)C#N"	0	NA	NA	1	1	"497415687"	NA
"831231"	831231	NA	"COc1cc2OC(=CC(=O)c2c(OC)c1OC)c3cccc(NC(=O)c4cc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc4OC)c3"	0	NA	NA	1	1	"497565154"	NA
"831262"	831262	NA	"CCC(CC)N1C(=O)C(=C(C(=O)O[K])c2ccccc12)SC3=NNC4C(N3)N(CC)C(=O)N4CC"	0	NA	NA	2	2	"497565168"	NA
"831268"	831268	NA	"CCN1C2NN=C3SC(=CC(=O)N3C2N(CC)C1=O)c4ccccc4"	0	NA	NA	2	2	"497565173"	NA
"831270"	831270	NA	"CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]3(C(=O)Nc4cc(Cl)ccc34)C15CCCCC5)C(=O)NC67CCC(CC6)(CC7)C(=O)O"	0	NA	NA	2	2	"441613161"	"1818393166"
"831271"	831271	NA	"FC(F)(F)c1cc(cnc1C#N)N2C(=S)N(c3ccc(OC4CCNCC4)nc3)C5(CCC5)C2=O"	0	NA	NA	1	1	"441613761"	"2110428641"
"831272"	831272	NA	"Cc1ccc(NC(=O)c2cc(\C=C\C(=O)NO)cc(c2)C(F)(F)F)cc1Nc3nccc(n3)c4cccnc4"	0	NA	NA	1	1	"497565188"	NA
"831300"	831300	NA	"CS(=O)c1nccc(n1)c2c(nc3sccn23)c4ccc(F)c(OCc5ccc(F)cc5)c4"	0	NA	NA	1	1	"497565184"	NA
"831301"	831301	NA	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4ccc(F)c(OCc5ccc(F)cc5)c4"	0	NA	NA	1	1	"497565217"	NA
"831306"	831306	NA	"CS(=O)c1nccc(n1)c2c(nc3sccn23)c4ccc(F)c(OCCc5ccc(F)cc5)c4"	0	NA	NA	1	1	"497565203"	NA
"831330"	831330	NA	"CS(=O)(=O)c1ccc2c(c1)c3CCCCc3n2C(=O)c4ccc(Cl)cc4"	0	NA	NA	2	2	"497565146"	NA
"831332"	831332	NA	"CS(=O)(=O)c1ccc2c(c1)c3CCCCc3n2S(=O)(=O)c4ccc(Cl)cc4"	0	NA	NA	1	1	"497565143"	NA
"831350"	831350	NA	"CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)CC1"	0	NA	NA	1	1	"497625425"	NA
"831354"	831354	NA	"C\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCC3)cc2)\c4ccc(Cl)cc4"	0	NA	NA	1	1	"497625362"	NA
"831355"	831355	NA	"CN(C)CCOc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(O)cc3"	0	NA	NA	1	1	"497625429"	NA
"831357"	831357	NA	"C\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCCCC3)cc2)\c4ccccc4"	0	NA	NA	1	1	"497625379"	NA
"831375"	831375	NA	"COc1ccc2c(coc2c1)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	NA	NA	2	2	"497625388"	NA
"831381"	831381	NA	"COc1cc2C(=O)N(CCCNCC3CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	"497625402"	NA
"831382"	831382	NA	"COc1cc2C(=O)N(CCCNC3CCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"497625366"	NA
"831383"	831383	NA	"COc1cc2C(=O)N(CCCNC3CCCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	"497625413"	NA
"831384"	831384	NA	"COc1cc2C(=O)N(CCCN3CCCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"497625430"	NA
"831385"	831385	NA	"COc1cc2C(=O)N(CCCN3CCC[C@H]3C(=O)N)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"497625389"	NA
"831386"	831386	NA	"COc1cc2C(=O)N(CCCN3CCCCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"497625372"	NA
"831387"	831387	NA	"COc1cc2C(=O)N(CCCNC3CCCCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	"497625456"	NA
"831388"	831388	NA	"COc1cnc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCn5ccnc5"	0	NA	NA	2	2	"497625361"	NA
"831389"	831389	NA	"CCNCCCN1C(=O)c2cc(OC)c(OC)cc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	3	3	"497625441"	NA
"831390"	831390	NA	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCNCC5CC5"	0	NA	NA	3	3	"497625381"	NA
"831401"	831401	NA	"COc1ccc(cc1)[C@H]2[C@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497625437"	NA
"831402"	831402	NA	"COc1ccc(cc1)[C@@H]2[C@@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497625367"	NA
"831403"	831403	NA	"COc1ccc(cc1Cl)[C@H]2[C@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497625428"	NA
"831404"	831404	NA	"COc1ccc(cc1Cl)[C@@H]2[C@@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497625363"	NA
"831405"	831405	NA	"COc1ccc(cc1O)[C@H]2[C@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	"497625453"	NA
"831453"	831453	NA	"CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O)C(=C)F)c5cccc6cccc(Cl)c56"	0	NA	NA	2	1	"443699379"	"2326521713"
"831456"	831456	NA	"C\C(=N/NC(=S)Nc1ccc(Br)cc1)\C2=Cc3ccccc3OC2=O"	0	NA	NA	1	1	"497627380"	NA
"831477"	831477	NA	"O[C@H]1CCN(C1)c2cc(ccn2)c3ccc4Oc5ccc(OC(F)(F)F)cc5NC(=O)c4c3"	0	NA	NA	2	2	"497627381"	NA
"831500"	831500	NA	"Cc1cccc(Cc2cnc(NC(=O)\C=C\c3cccc(C)c3)s2)c1"	0	NA	NA	2	2	"497627330"	NA
"831509"	831509	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(NC6CCOCC6)nn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	"497627372"	NA
"831510"	831510	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnn5cccnc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	"497627327"	NA
"831511"	831511	NA	"Cc1cn(cn1)c2cc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(OCCCS(=O)(=O)C)nn45)cc(c2)C(F)(F)F"	0	NA	NA	1	1	"497627397"	NA
"831512"	831512	NA	"Cc1cn(cn1)c2cc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(O[C@@H]6CCOC6)nn45)cc(c2)C(F)(F)F"	0	NA	NA	2	2	"497627342"	NA
"831528"	831528	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CO)NC(=O)[C@@H]3[C@@H](C)OCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(OS(=O)(=O)F)cc6)[C@H](C)OC2=O"	0	NA	NA	1	1	"497627290"	NA
"831535"	831535	NA	"CCc1ccc(NC(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@H]3[C@H](C)OC(=O)[C@@H]4C[C@@H](C)CN4C(=O)[C@H](C)NC(=O)[C@@H]5CCCCN5C(=O)[C@@H]6CCCN6C3=O)c(F)c1"	0	NA	NA	2	2	"497627383"	NA
"831536"	831536	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(Cl)cc6F"	0	NA	NA	2	1	"497627366"	NA
"831537"	831537	NA	"C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(C)cc6F)[C@H](C)OC2=O"	0	NA	NA	2	2	"497627350"	NA
"831576"	831576	"(5Z)-5-[2-(4-Bromophenyl)hydrazinylidene]-4-(3-nitrophenyl)-1,3-thiazol-2(5H)-imine"	"Nc1nc(c2cccc(c2)[N+](=O)[O-])c(\N=N\c3ccc(Br)cc3)s1"	0	NA	NA	1	1	"497628910"	NA
"831578"	831578	"4-(3-Nitrophenyl)-5-[(3-nitrophenyl)diazenyl]-1,3-thiazol-2-amine"	"Nc1nc(c2cccc(c2)[N+](=O)[O-])c(\N=N\c3cccc(c3)[N+](=O)[O-])s1"	0	NA	NA	2	1	"497628897"	NA
"831579"	831579	"N-[[2-Imino-4-(3-nitrophenyl)-1,3-thiazol-5-ylidene]amino]-2-nitro-aniline"	"Nc1nc(c2cccc(c2)[N+](=O)[O-])c(\N=N\c3ccccc3[N+](=O)[O-])s1"	0	NA	NA	1	1	"497628866"	NA
"831581"	831581	NA	"Nc1nc(c2cccc(c2)[N+](=O)[O-])c(\N=N\c3ccc(cc3Cl)[N+](=O)[O-])s1"	0	NA	NA	2	1	"497628905"	NA
"831588"	831588	NA	"CN1CCN(CC1)c2nc(cc3ccccc23)c4cnc5ccccc5n4"	0	NA	NA	2	2	"497628908"	NA
"831589"	831589	NA	"CN1CCN(CC1)c2nc(cc3ccccc23)c4cnc5cc(C)c(C)cc5n4"	0	NA	NA	1	1	"497628900"	NA
"831631"	831631	NA	"CC1=C2[C@@H](O)[C@](C)(COC(=O)c3ccc(cc3)S(=O)(=O)F)C=C2C(=O)[C@](C)(O)C14CC4"	0	NA	NA	2	2	"497628891"	NA
"831632"	831632	NA	"CC1=C2[C@@H](OC(=O)c3ccc(cc3)S(=O)(=O)F)[C@](C)(COC(=O)c4ccc(cc4)S(=O)(=O)F)C=C2C(=O)[C@](C)(O)C15CC5"	0	NA	NA	1	1	"497628914"	NA
"831633"	831633	NA	"CC1=C(CC\C=N/NC(=O)N)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	"497628877"	NA
"831634"	831634	NA	"COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1"	0	NA	NA	2	2	"497628896"	NA
"831635"	831635	NA	"CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]4Nc5ccccc5[C@]4([C@@H]3O)C67[C@H](Nc8ccccc68)N9C(=O)[C@]%10(C)SS[C@@]9([C@H]7O)C(=O)N%10C"	0	NA	NA	2	2	"497628924"	NA
"831653"	831653	NA	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)(C)CC(C)(O)CCCCCCOc12"	0	NA	NA	2	2	"497646192"	NA
"831654"	831654	NA	"CN1CCC(CC1)n2cc(Nc3ncc4C(=O)N(C=C(Br)c4n3)c5c(Cl)cccc5Cl)cn2"	0	NA	NA	2	2	"497646188"	NA
"831657"	831657	NA	"COc1cc(OC)c(cc1C(=O)\C=C\c2ccc(Cl)cc2)S(=O)(=O)N"	0	NA	NA	1	1	"497646160"	NA
"831658"	831658	NA	"COc1cc(OC)c(cc1C(=O)\C=C\c2ccccc2)S(=O)(=O)N"	0	NA	NA	1	1	"497646123"	NA
"831659"	831659	NA	"COc1cc(OC)c(cc1C(=O)\C=C\c2ccc(C)cc2)S(=O)(=O)N"	0	NA	NA	1	1	"497646193"	NA
"831674"	831674	NA	"CC1CCc2c(C1)sc3N=C(SCC(=O)N\N=C(/C)\c4ccc(Cl)cc4)N(C(=O)c23)c5ccccc5"	0	NA	NA	1	1	"497646112"	NA
"831678"	831678	NA	"Cc1ccc2sc3C(C(=C(N)Oc3c2c1)C#N)c4cccc(F)c4"	0	NA	NA	2	2	"497646170"	NA
"831680"	831680	NA	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4ccc(C)cc34)C#N"	0	NA	NA	1	1	"497646174"	NA
"831804"	831804	NA	"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN(CCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)CCCCCCCCCC[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	"497648175"	NA
"831837"	831837	NA	"CNC(=O)c1cc(nc2cccnc12)c3ccc(NC(=O)Nc4ccc(N5CCN(C)CC5)c(c4)C(F)(F)F)cc3"	0	NA	NA	1	1	"497648173"	NA
"831848"	831848	NA	"Oc1cccc2C(=O)C3=C(C(C4=C(NC(=O)S4)S3)c5occc5)C(=O)c12"	0	NA	NA	1	1	"497648211"	NA
"831896"	831896	NA	"O=C(CN1CCOCC1)NNc2ncnc3ccccc23"	0	NA	NA	1	1	"500129493"	NA
"831903"	831903	NA	"Cc1cccc2sc(NC(=N)C(Br)Br)nc12"	0	NA	NA	1	1	"500129499"	NA
"831906"	831906	NA	"Clc1cc(Cl)c2nc(NC(=N)C(Cl)(Cl)Cl)sc2c1"	0	NA	NA	1	1	"500129481"	NA
"831907"	831907	NA	"BrC(Br)C(=N)Nc1nc2c(Br)cccc2s1"	0	NA	NA	1	1	"500129535"	NA
"831966"	831966	NA	"CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)\C=C\c3ccncc3"	0	NA	NA	1	1	"500129536"	NA
"831974"	831974	NA	"Cc1nc(ccc1C(=O)\C=C\c2ccccn2)C3=Cc4ccccc4OC3=O"	0	NA	NA	1	1	"500129663"	NA
"831993"	831993	NA	"Clc1ccc2oc3c(NCCCN4CCOCC4)c5ccccc5nc3c2c1"	0	NA	NA	1	1	"500129514"	NA
"831996"	831996	NA	"CN(C)CCCNc1c2oc3ccc(Cl)cc3c2nc4ccccc14"	0	NA	NA	1	1	"500129589"	NA
"832010"	832010	NA	"OC1CCN(CCCOc2c3oc4ccc(Cl)cc4c3nc5cc(Cl)ccc25)CC1"	0	NA	NA	1	1	"500129470"	NA
"832013"	832013	NA	"CN(C)CCCOc1c2oc3ccc(Cl)cc3c2nc4cc(Cl)ccc14"	0	NA	NA	2	2	"500129634"	NA
"832015"	832015	NA	"Clc1ccc2oc3c(NCCCn4ccnc4)c5ccccc5nc3c2c1"	0	NA	NA	1	1	"500129665"	NA
"832046"	832046	NA	"F[C@@H]1[C@@H]2O[P@](=O)(S)OC[C@H]3O[C@@H]4[C@H](F)[C@@H]3O[P@@](=O)(S)OC[C@H]2O[C@H]1n5cnc6c(NC\C=C\CNc7ncnc8c7ncn48)ncnc56"	0	NA	NA	2	2	"443698883"	"2242635023"
"832048"	832048	NA	"O=S(=O)(N1CCCCC1)c2oc(nc2C#N)c3ccccc3"	0	NA	NA	1	1	"500129491"	NA
"832050"	832050	NA	"O=S(=O)(N1CCN(CCc2ccccn2)CC1)c3oc(nc3C#N)c4ccccc4"	0	NA	NA	1	1	"500129600"	NA
"832051"	832051	NA	"CN(C)S(=O)(=O)c1oc(nc1C#N)c2ccccc2"	0	NA	NA	1	1	"500129623"	NA
"832056"	832056	NA	"CCN1CCN(CC1)S(=O)(=O)c2oc(nc2C#N)c3ccc(Cl)cc3"	0	NA	NA	1	1	"500129624"	NA
"832061"	832061	NA	"Fc1cc(Br)ccc1COc2ccc(\C=C/3\C(=O)Nc4cc(Cl)ccc34)cc2"	0	NA	NA	1	1	"500129537"	NA
"832069"	832069	NA	"C[C@]12CCc3nc(Nc4ccc(Cl)cn4)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	1	1	"500141138"	NA
"832070"	832070	NA	"C[C@]12CCc3nc(sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc(F)cn6"	0	NA	NA	1	1	"500141167"	NA
"832098"	832098	NA	"Cl[Ru]123([n+]4ccccc4c5cc(cc(c6cccc[n+]16)[n+]25)c7ccccc7)[n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]3c%11c8%10)c%12ccccc%12"	0	NA	NA	2	2	"500141159"	NA
"832099"	832099	NA	"Cl[Ru]123([n+]4ccccc4c5cccc(c6cccc[n+]16)[n+]25)[n+]7ccc(c8ccccc8)c9ccc%10c(cc[n+]3c%10c79)c%11ccccc%11"	0	NA	NA	1	1	"500141205"	NA
"832101"	832101	NA	"Cc1ccc2ccc3ccc(C)[n+]4c3c2[n+]1[Ru]456(Oc7c(Cl)cc(Cl)c8ccc(CN9CCCCC9)[n+]5c78)[n+]%10c(C)ccc%11ccc%12ccc(C)[n+]6c%12c%10%11"	0	NA	NA	2	1	"500141195"	NA
"832104"	832104	NA	"CCC\C=C\C=C\C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@H]2[C@H](C)OC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O"	0	NA	NA	2	1	"500141173"	NA
"832105"	832105	NA	"Nc1ncc(cc1CO)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	2	2	"500141116"	NA
"832107"	832107	NA	"CC(C)(O)c1cncc(c1)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	1	1	"500141230"	NA
"832113"	832113	NA	"C[C@@H](Nc1c(cnc2ccc(cc12)c3cnc(N)nc3)C#N)c4ccccc4"	0	NA	NA	1	1	"500141250"	NA
"832123"	832123	NA	"CN1C2S\C(=N/N=C/c3ccccc3)\NC2N(C1=O)c4ccccc4"	0	NA	NA	1	1	"500141133"	NA
"832126"	832126	NA	"CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cccc6[nH]ncc56"	0	NA	NA	2	2	"500141237"	NA
"832192"	832192	NA	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccccc2)\c3ccc(OCCN4CCCCCC4)cc3"	0	NA	NA	1	1	"500141171"	NA
"832194"	832194	NA	"CCNC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccccc2)\c3ccc(OCCN4CCCCCC4)cc3"	0	NA	NA	1	1	"500141252"	NA
"832217"	832217	NA	"CC(=O)O[C@H]1[C@@H](N(C1=O)c2cnccn2)c3ccccc3[N+](=O)[O-]"	0	NA	NA	2	2	"500369039"	NA
"832251"	832251	NA	"COC1CCN(Cc2ccc3c(NNC(=O)c4cnccn4)nc5cc(F)ccc5n23)C1"	0	NA	NA	1	1	"500369047"	NA
"832252"	832252	NA	"Fc1ccc2c(c1)nc(NNC(=O)c3cnccn3)c4ccc(CN5CC6(COC6)C5)n24"	0	NA	NA	2	2	"500369020"	NA
"832254"	832254	NA	"CCCC(=O)NC(c1cccnc1)c2cc(c3cccnc3c2O)C(C)(C)C"	0	NA	NA	1	1	"500369069"	NA
"832255"	832255	NA	"CCCC(=O)NC(c1ccc2OC(F)(F)Oc2c1)c3cc(C)c4cccnc4c3O"	0	NA	NA	2	2	"500368997"	NA
"832261"	832261	NA	"CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]4CCNC[C@@H]4O)nc12"	0	NA	NA	2	2	"443699440"	"1805789541"
"832262"	832262	NA	"Cc1ccc(cc1)S(=O)(=O)Cc2nc(oc2C)c3ccc(cc3)C(=O)NCc4cccnc4"	0	NA	NA	2	2	"443699552"	"894187612"
"832263"	832263	NA	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C"	0	NA	NA	2	2	"443698610"	"474645277"
"832270"	832270	NA	"CC(C)Sc1nc(Nc2ccc(cc2)S(=O)(=O)N)c(C#N)c(n1)c3ccc(F)cc3"	0	NA	NA	1	1	"500369048"	NA
"832342"	832342	NA	"COc1cc(OC)cc(c1)C(=O)Nc2cccc(c2)C#Cc3cccc4[nH]nc(N)c34"	0	NA	NA	2	2	"500839801"	NA
"832343"	832343	NA	"Fc1ccc(cc1)c2cc3nc(nc(c4ccc(F)cc4)n3n2)C(Cl)Cl"	0	NA	NA	1	1	"500839756"	NA
"832344"	832344	NA	"Fc1ccc(cc1)c2cc3nc(nc(c4ccccc4)n3n2)C(Cl)Cl"	0	NA	NA	1	1	"500839760"	NA
"832345"	832345	NA	"Cc1ccc(cc1)c2nc(nc3cc(nn23)c4ccccc4)C(Cl)Cl"	0	NA	NA	1	1	"500839768"	NA
"832346"	832346	NA	"COc1ccc(cc1)c2nc(nc3cc(nn23)c4ccccc4)C(Cl)Cl"	0	NA	NA	1	1	"500839816"	NA
"832347"	832347	NA	"Fc1ccc(cc1)c2nc(nc3cc(nn23)c4ccccc4)C(Cl)Cl"	0	NA	NA	1	1	"500839812"	NA
"832348"	832348	NA	"Fc1ccc(cc1)c2cc3nc(nc(c4ccc(Cl)cc4)n3n2)C(Cl)Cl"	0	NA	NA	1	1	"500839776"	NA
"832368"	832368	NA	"Nc1nc(N)c2N=C(CC(Nc2n1)c3ccc(F)cc3)c4ccc(Nc5nc(NCCO)nc(Nc6ccc(Cl)cc6)n5)cc4"	0	NA	NA	1	1	"500839732"	NA
"832371"	832371	NA	"COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1Oc3nc(NCCO)nc(n3)N4CCOCC4"	0	NA	NA	1	1	"500839807"	NA
"832413"	832413	NA	"CN(C)CCNC(=O)Cn1c2ccc(Cl)cc2c3nc4cc(C)c(C)cc4nc13"	0	NA	NA	1	1	"500839771"	NA
"832414"	832414	NA	"CN(C)CCNC(=S)Cn1c2ccc(Cl)cc2c3nc4cc(C)c(C)cc4nc13"	0	NA	NA	1	1	"500839838"	NA
"832440"	832440	NA	"CC1=C(C\C(=N/O)\C1O)c2csc(n2)C#C"	0	NA	NA	1	1	"503147832"	NA
"832442"	832442	NA	"CC(=O)O\N=C\1/CC(=C(C)C1OC(=O)C)c2csc(n2)C#C"	0	NA	NA	2	2	"503147826"	NA
"832444"	832444	NA	"CC1=C(CC/C/1=N\OCc2ccccc2)c3csc(n3)C#C"	0	NA	NA	1	1	"503147850"	NA
"832460"	832460	NA	"CN1CCc2c(C1)sc3ncnc(N\N=C\c4ccc(Cl)c(Cl)c4)c23"	0	NA	NA	1	1	"503147814"	NA
"832474"	832474	NA	"Brc1ccc2[nH]c(C(=O)N\N=C\c3cccs3)c(c4ccccc4)c2c1"	0	NA	NA	2	2	"503147805"	NA
"832475"	832475	NA	"Clc1ccc(\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2c4ccccc4)s1"	0	NA	NA	2	2	"503147854"	NA
"832476"	832476	NA	"Brc1ccc2[nH]c(C(=O)N\N=C\c3ccc(Br)s3)c(c4ccccc4)c2c1"	0	NA	NA	2	2	"503147821"	NA
"832477"	832477	NA	"Brc1ccc2[nH]c(C(=O)N\N=C\c3ccc(C#N)s3)c(c4ccccc4)c2c1"	0	NA	NA	2	2	"503147811"	NA
"832478"	832478	NA	"COc1ccc(\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2c4ccccc4)s1"	0	NA	NA	2	2	"503147816"	NA
"832479"	832479	NA	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2c4ccccc4)s1"	0	NA	NA	2	2	"503147833"	NA
"832480"	832480	NA	"Brc1ccc2[nH]c(C(=O)N\N=C\c3occc3)c(c4ccccc4)c2c1"	0	NA	NA	2	2	"503147799"	NA
"832481"	832481	NA	"COc1oc(\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2c4ccccc4)cc1"	0	NA	NA	2	2	"503147812"	NA
"832482"	832482	NA	"Brc1ccc2[nH]c(C(=O)N\N=C\c3ccc[nH]3)c(c4ccccc4)c2c1"	0	NA	NA	2	2	"503147857"	NA
"832483"	832483	NA	"[O-][N+](=O)c1oc(\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2c4ccccc4)cc1"	0	NA	NA	2	2	"503147837"	NA
"832522"	832522	NA	"Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2"	0	NA	NA	1	1	"443699273"	"2590556800"
"832523"	832523	NA	"COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC5(N)CC5"	0	NA	NA	1	1	"443698716"	"1058156903"
"832544"	832544	NA	"Cc1cc(C(NC(=O)CCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c5cccnc5)c(O)c6ncccc16"	0	NA	NA	2	2	NA	NA
"832545"	832545	NA	"CCCC(=O)NC(c1ccc(cc1)N(CC)CC)c2cc(C)c3cccnc3c2O"	0	NA	NA	2	2	NA	NA
"832553"	832553	NA	"FC(F)(F)C1(CC2CCCCN2S(=O)(=O)\N=C\3/NC(=O)NC3=C(Cl)Cl)N=N1"	0	NA	NA	1	1	NA	NA
"832575"	832575	NA	"COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)SCC(=O)Nc4ccc(cc4)c5nc6ccccc6[nH]5"	0	NA	NA	1	1	NA	NA
"832580"	832580	NA	"COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc3ccc(F)cc3"	0	NA	NA	1	1	NA	NA
"832585"	832585	NA	"COc1ccccc1\C=C\C=N\N=C/2\NC3C(S2)N(C)C(=O)N3C"	0	NA	NA	1	1	NA	NA
"832586"	832586	NA	"COc1ccc(\C=N\N=C/2\NC3C(S2)N(C)C(=O)N3C)cc1"	0	NA	NA	1	1	NA	NA
"832594"	832594	NA	"CN1CCN(CC1)c2ccc(Nc3nc(NCCCNS(=O)(=O)c4ccc(F)cc4)c5sccc5n3)cc2"	0	NA	NA	1	1	NA	NA
"832595"	832595	NA	"CN1CCN(CC1)c2ccc(Nc3nc(NCCCNS(=O)(=O)c4ccc(Cl)cc4)c5sccc5n3)cc2"	0	NA	NA	1	1	NA	NA
"832596"	832596	NA	"CN1CCN(CC1)c2ccc(Nc3nc(NCCCNS(=O)(=O)c4ccc(C)cc4)c5sccc5n3)cc2"	0	NA	NA	1	1	NA	NA
"832633"	832633	NA	"CC(C)CSc1nc(Nc2ccc(cc2)\C(=N/NC(=S)N)\C)c(C#N)c(n1)c3ccc(F)cc3"	0	NA	NA	1	1	NA	NA
"832645"	832645	NA	"C[C@H](Nc1ncnc2ccc(cc12)c3cnc(Cl)c(NS(=O)(=O)C)c3)c4ccccc4"	0	NA	NA	1	1	NA	NA
"832647"	832647	NA	"Fc1cc2CCN(c2cc1Cl)c3c(cnc4ccc(cc34)c5cnc6nn[nH]c6c5)C#N"	0	NA	NA	1	1	NA	NA
"832648"	832648	NA	"Cn1ncc2ncc(cc12)c3ccc4ncc(C#N)c(N5CCc6cc(F)c(Cl)cc56)c4c3"	0	NA	NA	1	1	NA	NA
"832649"	832649	NA	"CC(Nc1c(cnc2ccc(cc12)c3cncc(O)c3)C#N)c4ccccc4"	0	NA	NA	1	1	NA	NA
"832651"	832651	NA	"CC(Nc1ncnc2ccc(cc12)c3cnc(N)nc3)c4ccccc4"	0	NA	NA	1	1	NA	NA
"832655"	832655	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5[nH]ncc5c4)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	NA
"832656"	832656	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5[nH]nc(C)c5c4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	NA
"832658"	832658	NA	"Cc1nc2cnc(N)c(C#Cc3cncc(c3)C(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c2nc1C"	0	NA	NA	1	1	NA	NA
"832661"	832661	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(nn45)N6CCN(C)CC6)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	NA
"832662"	832662	NA	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5ccc(nn45)N6CCSCC6)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	NA
"832663"	832663	NA	"C[C@@H]1CN(C[C@H](C)O1)c2ccc3ncc(C#Cc4cncc(c4)C(=O)Nc5ccc(CN6CCN(C)CC6)c(c5)C(F)(F)F)n3n2"	0	NA	NA	2	2	NA	NA
"832666"	832666	NA	"COC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccc(cc3)C(=O)O)c4ccccc4C2=O)cc1"	0	NA	NA	1	1	NA	NA
"832697"	832697	NA	"C\C(=C(/c1ccc(O)cc1)\c2ccc(OCCN3CCCCCC3)cc2)\c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	NA
"832707"	832707	NA	"OC(O)(C(=O)NCCCCCCC(=O)Nc1ncc(s1)c2ccc(Br)cc2)C(F)(F)F"	0	NA	NA	1	1	NA	NA
"832711"	832711	NA	"OC(O)(C(=O)NCCCCCCC(=O)Nc1ncc(s1)c2ccccc2)C(F)(F)F"	0	NA	NA	1	1	NA	NA
"832713"	832713	NA	"OC(O)(C(=O)NCCCCCCC(=O)Nc1ccc(Br)cc1)C(F)(F)F"	0	NA	NA	1	1	NA	NA
"832755"	832755	NA	"COC(=O)CCn1c(nc2ccccc12)c3ccc(cc3)n4cc(nn4)c5ccc(O[C@H]6O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]([C@H]6C)[C@@]79OO8)cc5"	0	NA	NA	1	1	NA	NA
"832756"	832756	NA	"COCCOCCOCCOc1ccc(cc1)n2cc(CCCN(CCNc3ccnc4cc(Cl)ccc34)C(=O)CCC(=O)O[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@@]68OO7)nn2"	0	NA	NA	1	1	NA	NA
"832758"	832758	NA	"C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N(CCCc3cn(nn3)c4ccc(CN5CCOCC5)cc4)CCNc6ccnc7cc(Cl)ccc67)O[C@@H]8O[C@@]9(C)CC[C@@H]1[C@@]28OO9"	0	NA	NA	1	1	NA	NA
"832769"	832769	NA	"C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N(CCCC#C)CCNc3ccnc4cc(Cl)ccc34)O[C@@H]5O[C@@]6(C)CC[C@@H]1[C@@]25OO6"	0	NA	NA	1	1	NA	NA
"832771"	832771	NA	"COC(=O)c1ccc(cc1)n2cc(CCCN(CCNc3ccnc4cc(Cl)ccc34)C(=O)CCC(=O)O[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@@]68OO7)nn2"	0	NA	NA	1	1	NA	NA
"832808"	832808	NA	"C=CC[Se]C(=O)c1ccc(s1)C(=O)[Se]CC=C"	0	NA	NA	2	2	NA	NA
"832830"	832830	NA	"CC12COC(OC1CCC3(C)C(CC(O)C4=CCOC4=O)C(=C)CCC23)c5ccccc5F"	0	NA	NA	1	1	NA	NA
"832843"	832843	NA	"COc1cc2OC(=CC(=O)c2c(OC)c1OC)c3cccc(c3)C(=O)Nc4cccc(c4)[N+](=O)[O-]"	0	NA	NA	1	1	NA	NA
"832867"	832867	NA	"COc1cc2OC(CC(=O)c2c(OC)c1OC)c3cccc(NC(=O)c4cc(ccc4Cl)[N+](=O)[O-])c3"	0	NA	NA	1	1	NA	NA
"832870"	832870	NA	"CCN1C(=Nc2ccccc2C1=O)SCC(=O)Nc3ccc(cc3)c4nc5ccccc5[nH]4"	0	NA	NA	1	1	NA	NA
"832873"	832873	NA	"[O-][N+](=O)c1ccc2[nH]c(nc2c1)c3ccc(NC(=O)CSC4=Nc5ccccc5C(=O)N4c6ccc(Cl)cc6)cc3"	0	NA	NA	1	1	NA	NA
"832884"	832884	NA	"Cn1cc(c2cc3nc(cc(N)n3n2)c4cn(C)c5ccc(Br)cc45)c6ccccc16"	0	NA	NA	1	1	NA	NA
"832887"	832887	NA	"Cn1cc(c2cc3nc(cc(N)n3n2)c4cn(C)c5ccc(Cl)cc45)c6ccccc16"	0	NA	NA	1	1	NA	NA
"832924"	832924	NA	"CCOC(=O)c1ccc(NC(=O)CSC(CC(=O)c2sc(Nc3ccccn3)nc2C)c4ccccc4F)cc1"	0	NA	NA	1	1	NA	NA
"832927"	832927	NA	"COc1cc(NC2=NC(=O)\C(=C\c3c[nH]c4ccccc34)\S2)cc(OC)c1OC"	0	NA	NA	1	1	NA	NA
"832937"	832937	NA	"COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]3CC[C@H](C3)OC(=O)NC(C)C)n(C)n1"	0	NA	NA	1	1	"459278590"	"2460249196"
"832938"	832938	NA	"Cc1ncnc2c1ccn2[C@@H]3C[C@H](Oc4cc(C(F)F)c(F)c5CCNCc45)[C@@H](O)[C@H]3O"	0	NA	NA	1	1	"459277772"	"2159123143"
"832944"	832944	NA	"COc1cc2N=C(SCc3ccccc3)N(C(=O)c2cc1OC)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	NA
"832945"	832945	NA	"C[C@]12CCc3nc(sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc(O)c(O)c6"	0	NA	NA	1	1	NA	NA
"832946"	832946	NA	"CN(C)c1ccc(Nc2nc3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]5CC=C4c3s2)cc1"	0	NA	NA	2	2	NA	NA
"832953"	832953	NA	"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6c7sc(Nc8ccccc8F)nc7CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C"	0	NA	NA	1	1	NA	NA
"832963"	832963	NA	"COc1cc2OC(CC(=O)c2c(OC)c1OC)c3cccc(NC(=O)c4cccc(c4)[N+](=O)[O-])c3"	0	NA	NA	1	1	NA	NA
"833008"	833008	NA	"CCOc1ccc(C=NNC(=O)CN2N=C(Cc3ccc(OC)cc3)c4onc(C)c4C2=O)cc1"	0	NA	NA	1	1	NA	NA
"833009"	833009	NA	"COc1ccc(CC2=NN(CC(=O)NN=Cc3ccc(F)cc3)C(=O)c4c(C)noc24)cc1"	0	NA	NA	1	1	NA	NA
"833010"	833010	NA	"COc1ccc(CC2=NN(CC(=O)NN=Cc3ccc(Br)cc3)C(=O)c4c(C)noc24)cc1"	0	NA	NA	1	1	NA	NA
"833021"	833021	NA	"COc1ccccc1n2cc(C#N)c(N)c2C(=O)c3ccc(Cl)cc3Cl"	0	NA	NA	1	1	NA	NA
"833032"	833032	NA	"Cn1ncc2c(N)nc(Oc3ccccc3c4ccccc4)nc12"	0	NA	NA	1	1	NA	NA
"833039"	833039	NA	"CC[C@@]12CC(=C3Nc4cc(OC)ccc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC"	0	NA	NA	2	2	NA	NA
"833040"	833040	NA	"CC[C@@]12CC(=C3Nc4cc(O)ccc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC"	0	NA	NA	1	1	NA	NA
"833053"	833053	NA	"Cc1cc(NC(=N)c2ccccc2)ccc1OCCCCCCCCn3ccnc3"	0	NA	NA	2	2	NA	NA
"833054"	833054	NA	"COc1cccc(c1)C(=N)Nc2ccc(OCCCCCCCCn3cncn3)cc2"	0	NA	NA	2	2	NA	NA
"833055"	833055	NA	"N=C(Nc1ccc(OCCCCCCCCn2cnnn2)cc1)c3ccccc3"	0	NA	NA	2	2	NA	NA
"833056"	833056	NA	"N=C(Nc1ccc(OCCCCCCCCn2ccnn2)cc1)c3ccccc3"	0	NA	NA	2	2	NA	NA
"833057"	833057	NA	"COc1cccc(c1)C(=N)Nc2ccc(OCCCCCCCCn3cnnn3)cc2"	0	NA	NA	2	2	NA	NA
"833058"	833058	NA	"COc1cccc(c1)C(=N)Nc2ccc(OCCCCCCCCn3cnnn3)c(C)c2"	0	NA	NA	2	2	NA	NA
"833059"	833059	NA	"COc1cccc(c1)C(=N)Nc2ccc(OCCCCCCn3cncn3)cc2"	0	NA	NA	1	1	NA	NA
"833075"	833075	NA	"COc1cc(\C=C\C(=O)c2cc(c(OC)cc2OC)S(=O)(=O)N(CCCl)CCCl)cc(OC)c1OC"	0	NA	NA	1	1	NA	NA
"833081"	833081	NA	"COc1ccc2[nH]cc(c3nc(N)nnc3c4cn(C)c5ncc(Br)cc45)c2c1"	0	NA	NA	2	2	NA	NA
"833083"	833083	NA	"Cn1cc(c2nc(N)nnc2c3c[nH]c4ccc(Br)cc34)c5cc(Br)cnc15"	0	NA	NA	2	2	NA	NA
"833086"	833086	NA	"Nc1nnc(c2c[nH]c3ncc(Br)cc23)c(n1)c4c[nH]c5ccc(Br)cc45"	0	NA	NA	1	1	NA	NA
"833087"	833087	NA	"Cn1cc(c2nc(N)nnc2c3c[nH]c4ccc(F)cc34)c5cc(Br)cnc15"	0	NA	NA	2	2	NA	NA
"833088"	833088	NA	"Cn1cc(c2nnc(N)nc2c3c[nH]c4ccccc34)c5cc(Br)cnc15"	0	NA	NA	1	1	NA	NA
"833089"	833089	NA	"Cn1cc(c2nc(N)nnc2c3c[nH]c4ccccc34)c5cc(Br)cnc15"	0	NA	NA	2	2	NA	NA
"833105"	833105	NA	"CCc1ccc(SC2c3cc(OC)ccc3Oc4nc(N)c(C#N)c(N)c24)cc1"	0	NA	NA	1	1	NA	NA
"833117"	833117	NA	"CNC(=O)c1cccc(c1)N2CCc3c(F)c(NC(=O)Nc4ccc(N5CCN(C)CC5)c(c4)C(F)(F)F)ccc23"	0	NA	NA	1	1	NA	NA
"833119"	833119	NA	"CCN1CCN(CC1)c2ccc(NC(=O)Nc3ccc4N(CCc4c3F)c5ccnc(c5)C(=O)NC)cc2C(F)(F)F"	0	NA	NA	1	1	NA	NA
"833123"	833123	NA	"CCN1CCN(CC1)c2ccc(NC(=O)Nc3ccc(cc3)c4cc(C(=O)NC)c5ncccc5n4)cc2C(F)(F)F"	0	NA	NA	1	1	NA	NA
"833124"	833124	NA	"CC(C)NC(=O)c1cc(nc2cccnc12)c3ccc(NC(=O)Nc4ccc(N5CCN(C)CC5)c(c4)C(F)(F)F)cc3"	0	NA	NA	2	1	NA	NA
"833177"	833177	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	NA
"833178"	833178	NA	"CN1CCN(CCS(=O)(=O)Nc2cc(cnc2Cl)c3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)CC1"	0	NA	NA	1	1	NA	NA
"833179"	833179	NA	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	1	1	NA	NA
"833180"	833180	NA	"Nc1ncc(cc1C#N)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	1	1	NA	NA
"833182"	833182	NA	"COc1nc(N)ncc1c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	1	1	NA	NA
"833183"	833183	NA	"CN(C)C(=O)c1cc(cnc1N)c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc45)c3c2"	0	NA	NA	2	1	NA	NA
"833201"	833201	NA	"Clc1ccc2NC(=O)\C(=C\c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)\c2c1"	0	NA	NA	1	1	NA	NA
"833203"	833203	NA	"COc1ccc2NC(=O)\C(=N/Nc3nc(cs3)c4ccccc4)\c2c1"	0	NA	NA	1	1	NA	NA
"833204"	833204	NA	"COc1ccc2NC(=O)\C(=N/Nc3nc(cs3)c4ccc(Cl)cc4)\c2c1"	0	NA	NA	1	1	NA	NA
"833207"	833207	NA	"COc1ccc2NC(=O)\C(=N/Nc3nc(cs3)c4ccc(Br)cc4)\c2c1"	0	NA	NA	1	1	NA	NA
"833238"	833238	NA	"COc1ccc(NC(=O)N\N=C\c2c[nH]c3ccccc23)cc1"	0	NA	NA	2	2	NA	NA
"833239"	833239	NA	"Clc1ccccc1NC(=O)N\N=C\c2c[nH]c3ccccc23"	0	NA	NA	2	2	NA	NA
"833240"	833240	NA	"COc1ccccc1NC(=O)N\N=C\c2c[nH]c3ccccc23"	0	NA	NA	1	1	NA	NA
"833242"	833242	NA	"Fc1ccc(NC(=O)N\N=C\c2c[nH]c3ccccc23)cc1Cl"	0	NA	NA	1	1	NA	NA
"833243"	833243	NA	"Cc1ccc(NC(=O)N\N=C\c2c[nH]c3ccccc23)c(C)c1"	0	NA	NA	2	2	NA	NA
"833257"	833257	NA	"FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3ccc4\C(=C\c5ccc[nH]5)\C(=O)Nc4c3"	0	NA	NA	1	1	NA	NA
"833258"	833258	NA	"[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3ccc4\C(=C\c5ccc[nH]5)\C(=O)Nc4c3"	0	NA	NA	1	1	NA	NA
"833259"	833259	NA	"O=C1Nc2cc(ccc2/C/1=C/c3ccc[nH]3)c4ccc(NS(=O)(=O)c5ccc(cc5)c6ccccc6)cc4"	0	NA	NA	1	1	NA	NA
"833263"	833263	NA	"FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)c3ccc4\C(=C\c5ccc[nH]5)\C(=O)Nc4c3)ccc1Cl"	0	NA	NA	1	1	NA	NA
"833292"	833292	NA	"COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c4ccc(cc4)C(=O)OC"	0	NA	NA	2	2	"459277627"	"1219810168"
"833304"	833304	NA	"Cc1ccc(\C=C(/C#N)\n2nnc3c(F)cccc23)cc1"	0	NA	NA	2	2	NA	NA
"833321"	833321	NA	"C[C@]12CCc3nc(sc3C1=CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc(cc6)[N+](=O)[O-]"	0	NA	NA	1	1	NA	NA
"833326"	833326	NA	"C[C@]12CCc3nc(Nc4ccc(cn4)C(F)(F)F)sc3C1=CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C"	0	NA	NA	1	1	NA	NA
"833334"	833334	NA	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H]6OC(OC[C@@]6(C)C5CC[C@@]34C)c7occc7)C2C1)C(=O)O"	0	NA	NA	1	1	NA	NA
"833348"	833348	NA	"CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]23C)C(=O)N5CCOCC5)[C@@]1(C)CCCN"	0	NA	NA	1	1	NA	NA
"833354"	833354	NA	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](NCO)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1)C(=O)N6CCOCC6"	0	NA	NA	1	1	NA	NA
"833372"	833372	NA	"COC(=O)CNC(=O)COc1c(OC)c(OC)cc2OC(=CC(=O)c12)c3cccc(c3)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	NA
"833377"	833377	NA	"COc1cc2OC(=CC(=O)c2c(OCCNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1OC)c3cccc(c3)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	NA
"833378"	833378	NA	"COc1cc2OC(=CC(=O)c2c(OCCNC(=O)[C@@H](N)CO)c1OC)c3cccc(c3)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	NA
"833379"	833379	NA	"N[C@@H](CSSC[C@H](N)C(=O)Nc1ccc(OCC2CCCC2)cc1)C(=O)Nc3ccc(OCC4CCCC4)cc3"	0	NA	NA	2	2	NA	NA
"833388"	833388	NA	"CN1CCN(CC1)c2ccc(Nc3nc(N4CCN(CC4)S(=O)(=O)c5ccc(Cl)cc5)c6sccc6n3)cc2"	0	NA	NA	1	1	NA	NA
"833390"	833390	NA	"COC1(CCOCC1)C(=O)N2Cc3nc(Cl)nc(N[C@H](C)c4cc(N)cc(c4)C(F)(F)F)c3C2"	0	NA	NA	2	2	"459277077"	"2488788527"
"833426"	833426	NA	"Fc1ccc(\C=C\c2nc3ccccc3n4c(nnc24)c5ccc(Cl)cc5)cc1"	0	NA	NA	1	1	NA	NA
"833442"	833442	NA	"CNc1nc2ccccc2n3c(cnc13)c4ccc(O)c(O)c4"	0	NA	NA	2	2	NA	NA
"833485"	833485	NA	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCN(C)C(=O)COCCNC(=O)Cc3ccc4C(=O)N(Cc4c3)[C@@H]5CCC(=O)NC5=O)cc2)\c6ccccc6"	0	NA	NA	2	2	NA	NA
"833487"	833487	NA	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN(C)C(=O)COCCOCCNC(=O)Cc3ccc4C(=O)N(Cc4c3)[C@@H]5CCC(=O)NC5=O)cc2)\c6ccccc6"	0	NA	NA	2	2	NA	NA
"833503"	833503	NA	"Cc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C"	0	NA	NA	1	1	NA	NA
"833507"	833507	NA	"COc1cc(ccc1OCc2oc(nn2)c3ccc(Br)cc3)c4nc5cc(C)ccc5[nH]4"	0	NA	NA	1	1	NA	NA
"833510"	833510	NA	"COc1cc(ccc1OCc2oc(nn2)c3ccc(Br)cc3)c4nc5cc(Cl)c(Cl)cc5[nH]4"	0	NA	NA	1	1	NA	NA
"833515"	833515	NA	"Brc1ccc2NC(=O)\C(=N/NC(=O)c3ccc4[nH]c(nc4c3)c5ccccc5)\c2c1"	0	NA	NA	1	1	NA	NA
"833523"	833523	NA	"COc1cc2[nH]c(C(=O)O)c(\C=C\3/SC(=NC3=O)Nc4ccc(O)cc4)c2cc1OC"	0	NA	NA	1	1	NA	NA
"833532"	833532	NA	"Cc1cc2nc3c4ccccc4n(CC5=NCCN5)c3nc2cc1C"	0	NA	NA	1	1	NA	NA
"833533"	833533	NA	"COc1cc(OC)c2c3nc4cc(C)c(C)cc4nc3n(CCN(C)C)c2c1"	0	NA	NA	1	1	NA	NA
"833552"	833552	NA	"COc1cc(\C=C\C(=O)c2ccccc2)ccc1Oc3nc(Nc4ccc(F)cc4)nc(n3)N(C)C"	0	NA	NA	1	1	NA	NA
"833553"	833553	NA	"COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1Oc3nc(Nc4ccc(F)cc4)nc(n3)N(C)C"	0	NA	NA	1	1	NA	NA
"833555"	833555	NA	"COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc3nc(Nc4ccc(F)cc4)nc(n3)N(C)C"	0	NA	NA	1	1	NA	NA
"833556"	833556	NA	"FC(F)(F)c1cc2c(Cl)ncnc2n1CC3=CNC(=O)C=C3"	0	NA	NA	1	1	NA	NA
"833559"	833559	NA	"OC1CCC(Cn2c(cc3c(Cl)ncnc23)C(F)(F)F)CC1"	0	NA	NA	1	1	NA	NA
"833560"	833560	NA	"FC(F)(F)CN1CCN(CCn2c(cc3c(Cl)ncnc23)C(F)(F)F)CC1"	0	NA	NA	1	1	NA	NA
"833561"	833561	NA	"FC(F)(F)c1cc2c(Cl)ncnc2n1CCN3CCOCC3"	0	NA	NA	1	1	NA	NA
"833562"	833562	NA	"FC(F)(F)c1cc2c(Cl)ncnc2n1CCN3CCCCC3"	0	NA	NA	1	1	NA	NA
"833563"	833563	NA	"FC(F)(F)c1cc2c(Cl)ncnc2n1CCC3CCOCC3"	0	NA	NA	1	1	NA	NA
"833590"	833590	NA	"Fc1ccc2oc3c4[nH]c5ccc(Br)cc5c4c6C(=O)NC(=O)c6c3c2c1"	0	NA	NA	1	1	NA	NA
"833591"	833591	NA	"ON1C(=O)c2c(C1=O)c3c4cc(Br)ccc4[nH]c3c5oc6ccc(F)cc6c25"	0	NA	NA	2	2	NA	NA
"833608"	833608	NA	"CN1CCN(CC1)c2ccc3c(c2)nc(NNC(=O)c4cnccn4)c5cccn35"	0	NA	NA	2	2	NA	NA
"833609"	833609	NA	"FC(F)(F)c1ccc2c(c1)nc(NNC(=O)c3cnccn3)c4cccn24"	0	NA	NA	2	2	NA	NA
"833610"	833610	NA	"Fc1ccc2c(c1)nc(NNC(=O)c3cnccn3)c4ccc(CN5CCCCC5)n24"	0	NA	NA	1	1	NA	NA
"833611"	833611	NA	"Fc1ccc2c(c1)nc(NNC(=O)c3ccncn3)c4ccc(CN5CC6CNCC6C5)n24"	0	NA	NA	1	1	NA	NA
"833613"	833613	NA	"COc1cc(OC)cc(c1)C2=Cc3ccc(cc3C(=O)N2)N(C)C"	0	NA	NA	2	2	NA	NA
"833615"	833615	NA	"C[C@H]1CN(CCN1)C(=O)c2ccc3c(NNC(=O)c4ccncn4)nc5cc(F)c(F)cc5n23"	0	NA	NA	1	1	NA	NA
"833616"	833616	NA	"CC(=O)N1CCN(Cc2ccc3c(NNC(=O)c4cnccn4)nc5cc(F)ccc5n23)CC1"	0	NA	NA	2	2	NA	NA
"833626"	833626	NA	"Fc1c(Cl)cccc1[C@H]2[C@@H](NC3(CCCCC3)[C@@]24C(=O)Nc5cc(Cl)ccc45)C(=O)Nc6ccc(cc6)C(=O)NCCCC#Cc7cccc8C(=O)N(Cc78)C9CCC(=O)NC9=O"	0	NA	NA	2	2	NA	"2136247124"
"833627"	833627	NA	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5cc(F)c(C)c6CC[C@H](N)c4c56)C2=O"	0	NA	NA	2	2	NA	NA
"833629"	833629	NA	"CC1=C2[C@@H](O)[C@](C)(COP(=O)(Oc3ccccc3)Oc4ccccc4)C=C2C(=O)[C@@](C)(O)C15CC5"	0	NA	NA	2	2	NA	NA
"833630"	833630	NA	"CC1=C(CC\C=N/NC(=O)N)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	NA	NA
"833631"	833631	NA	"CC1=C(CCC=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	NA	NA
"833632"	833632	NA	"C\C(=N\CC1=C(C)C=C2C1=C(C)C3(CC3)[C@@](C)(O)C2=O)\O"	0	NA	NA	2	2	NA	NA
"833653"	833653	NA	"COc1ccc(cc1)c2nnc3c(\C=C\c4ccc(Br)cc4)nc5ccccc5n23"	0	NA	NA	1	1	NA	NA
"833654"	833654	NA	"COc1ccc(\C=C\c2nc3ccccc3n4c(nnc24)c5cccc(c5)[N+](=O)[O-])cc1"	0	NA	NA	1	1	NA	NA
"833692"	833692	NA	"COc1ccc(CCN2C(=S)S\C(=C/c3csc(n3)C#N)\C2=O)cc1OC"	0	NA	NA	1	1	NA	NA
"833694"	833694	NA	"OC(=O)CCCCCCCCCCN1C(=S)S\C(=C/c2cnc(s2)c3ccc(Cl)cc3)\C1=O"	0	NA	NA	1	1	NA	NA
"833713"	833713	NA	"CC(C)[C@H]1CC[C@]2(C)[C@H]1c3cc(C)c(Br)c(O)c3c4ncoc4C2=O"	0	NA	NA	1	1	NA	"1638620571"
"833745"	833745	NA	"Cc1ccc2c(N)c(sc2n1)C(=O)N[C@H]3CCc4cc(ccc4C3)N5CC6CCC(C5)N6"	0	NA	NA	2	1	"459278422"	"2278274341"
"833764"	833764	NA	"C\C(=N/Nc1ccc(cc1)S(=O)(=O)N)\c2ccc(N\N=C\3/C(=O)NN=C3Nc4ccccc4)cc2"	0	NA	NA	1	1	NA	NA
"833767"	833767	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2cccc(Br)c2"	0	NA	NA	1	1	NA	NA
"833768"	833768	NA	"COc1ccccc1\C=C\C(=O)c2ccc(OC)c(c2)S(=O)(=O)N"	0	NA	NA	1	1	NA	NA
"833774"	833774	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2ccc(Cl)c(Cl)c2"	0	NA	NA	1	1	NA	NA
"833776"	833776	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2cc3OCOc3cc2Br"	0	NA	NA	1	1	NA	NA
"833794"	833794	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2cccc(Cl)c2"	0	NA	NA	1	1	NA	NA
"833795"	833795	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2cccc3ccccc23"	0	NA	NA	1	1	NA	NA
"833796"	833796	NA	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2ccc3ccccc3c2"	0	NA	NA	1	1	NA	NA
"833797"	833797	NA	NA	0	NA	NA	1	1	NA	NA
"833802"	833802	NA	NA	0	NA	NA	1	1	NA	"745017941"
"833821"	833821	NA	"NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3"	0	NA	NA	1	1	NA	NA
"833823"	833823	NA	"CN1CCN(CC1)c2ccc(cc2)C(=O)\C=C\c3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	NA
"833824"	833824	NA	"CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)CC1"	0	NA	NA	1	1	NA	NA
"833825"	833825	NA	"CN1CCN(CC1)c2ccc(cc2)C(=O)\C=C\c3ccc(Br)cc3"	0	NA	NA	1	1	NA	NA
"833827"	833827	NA	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)CC1"	0	NA	NA	2	2	NA	NA
"833831"	833831	NA	"FC(F)(F)c1ccc(NC(=O)Nc2ccc3OC(=O)C=Cc3c2)cc1"	0	NA	NA	1	1	NA	NA
"833844"	833844	NA	"CCCCCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCN(C)CC3)c4csc(n4)N(C)C(=O)C"	0	NA	NA	1	1	NA	NA
"833868"	833868	NA	"COc1cccc(COc2ccc(\C=C\3/Oc4cc(O)ccc4C3=O)cc2)c1"	0	NA	NA	1	1	NA	NA
"833899"	833899	NA	"O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1"	0	NA	NA	1	1	"459277050"	"1323403333"
"833900"	833900	NA	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=N)c12)C(=O)C"	0	NA	NA	2	2	"459278419"	"67324996"
"833903"	833903	NA	"NS(=O)(=O)c1ccc(N\N=C\2/C(=O)N(CC(=O)Nc3ccccc3)c4ccccc24)cc1"	0	NA	NA	1	1	NA	NA
"833922"	833922	NA	"CN(C)CCn1c2ccccc2c3nc4ccc(cc4nc13)[N+](=O)[O-]"	0	NA	NA	1	1	NA	NA
"833923"	833923	NA	"CN(C)CCn1c2ccccc2c3nc4cc5ccccc5cc4nc13"	0	NA	NA	1	1	NA	NA
"833926"	833926	NA	"COc1ccc2c3nc4cc(C)c(C)cc4nc3n(CCN(C)C)c2c1"	0	NA	NA	1	1	NA	NA
"833940"	833940	NA	"Oc1ccc(cc1)c2ccc3c(c2)ncn3c4cccc(NC(=O)C5CC5)c4"	0	NA	NA	2	2	NA	NA
"833941"	833941	NA	"Oc1ccc(cc1)c2ccc3c(c2)ncn3c4cccc(NS(=O)(=O)C5CC5)c4"	0	NA	NA	1	1	NA	NA
"833943"	833943	NA	"CC(=O)Nc1ccc(cc1C(F)(F)F)n2cnc3cc(ccc23)c4ccc(O)cc4"	0	NA	NA	1	1	NA	NA
"833951"	833951	NA	"OC[Re+4]1234(CO)(CO)[CH]5=[CH]1[CH-]2[C]3(=[CH]45)c6nc7ccccc7[nH]6"	0	NA	NA	1	1	NA	NA
"833973"	833973	NA	"CN1CCN(CC1)S(=O)(=O)c2cccc(c2)C(=O)N\N=C(/C)\c3cc(Cl)ccc3O"	0	NA	NA	2	2	"459278474"	"1423715370"
"834160"	834160	NA	"Cc1c[nH]c(n1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5c(F)cc(F)cc5F)cc4F"	0	NA	NA	2	2	"459277646"	"1616428239"
"834161"	834161	NA	"Cl.Cl.CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n3nccc3n1"	0	NA	NA	1	1	"459278460"	"2416874752"
"834197"	834197	NA	"CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)S(=O)(=O)c5cccc(c5)S(=O)(=O)N6CC[C@H]7CC[C@H](N7C(=O)[C@H](C6)NC(=O)[C@H](C)NC)C(=O)NC(c8ccccc8)c9ccccc9"	0	NA	NA	2	2	"459278456"	"1570231898"
"834374"	834374	NA	"Cc1cc(cnc1F)c2ccc(cc2)C3C(=C(N)OC4=C3C(=O)Oc5ccccc45)C#N"	0	NA	NA	1	1	"459277103"	"2254434336"
"834375"	834375	NA	"Cc1c(cc(C#N)n1C)N(C(=O)c2cc(c3cc(Cl)ccc3C(=O)N4Cc5ccccc5C[C@H]4CN6CCOCC6)n(C)c2C)c7ccc(O)cc7"	0	NA	NA	1	1	"459277916"	"1644543952"
"835418"	835418	NA	"CN(C(=O)[C@@H]1[C@H](O)CCN1c2nc(C)cc(c2C#N)C(F)(F)F)c3cccc(C)c3"	0	NA	NA	1	1	"459277475"	"2603528976"
"835419"	835419	NA	"ClCC(=O)N(C(C(=O)NCCc1ccccc1)c2csc3ccccc23)c4ccc(cc4)c5ocnc5"	0	NA	NA	2	2	"459278290"	NA
"835588"	835588	NA	"CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]4CCNC[C@@H]4O)nc12"	0	NA	NA	2	2	"459328274"	NA
"835589"	835589	NA	"Oc1ccc(cc1)[C@]2(C(=O)Nc3c(cccc23)C(F)(F)F)c4ccc(OC(F)(F)F)cc4"	0	NA	NA	1	1	"459328254"	"2407860346"
"835773"	835773	NA	"CC(C)n1c(C)c(c(c2cc(F)cc(c2)N3CCN(CC3)c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(CC6)C(=O)OCCCP(=O)(O)O)CSc7ccccc7)c(c5)S(=O)(=O)C(F)(F)F)cc4)c1c8ccc(Cl)cc8)S(=O)(=O)C"	0	NA	NA	1	1	"459636785"	"1619923362"
"835775"	835775	NA	"Cc1ccccc1\N=N\c2ccc(NC(=O)c3ccnn3C)c(C)c2"	0	NA	NA	1	1	"459636907"	"301326227"
"835776"	835776	NA	"Nc1nn2cc(F)cnc2c1C(=O)Nc3cncc(F)c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6"	0	NA	NA	2	2	"459636991"	"1613191993"
"835818"	835818	NA	"Oc1ccc(cc1)[C@@]2(C(=O)Nc3c(cccc23)C(F)(F)F)c4ccc(OC(F)(F)F)cc4"	0	NA	NA	2	2	"459636738"	"2407860357"
"836049"	836049	NA	"ON=C1c2cc(ccc2c3ccc(cc13)S(=O)(=O)N4CCCCC4)S(=O)(=O)N5CCCCC5"	0	NA	NA	2	2	"461477656"	"300802282"
"836407"	836407	NA	"Oc1cc(c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N6CC7CCC(C6)N7)c8c(C#C)c(F)ccc8c1"	0	NA	NA	2	2	"461593900"	"2621928558"
"836439"	836439	NA	"C[C@@H](N)COc1ccc(cc1)c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23"	0	NA	NA	1	1	"461650707"	"1505515694"
"836440"	836440	NA	"COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl"	0	NA	NA	2	2	"461650696"	NA
"836941"	836941	NA	"Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1c5cccc(c5C)c6oc7c(cc(CN8CC[C@H](C8)C(=O)O)cc7n6)C#N"	0	NA	NA	1	1	"461663123"	"2230911596"
"837081"	837081	NA	"CCc1c(C#N)c(SC(C(=O)N)c2ccccc2)nc(N3CCC(N)CC3)c1C#N"	0	NA	NA	1	1	"461823403"	"2170137616"
"837396"	837396	NA	"CC1(C)CC[C@@H](CN1)Nc2ncc(c(n2)c3c[nH]c4c(c(ccc34)C#N)P(=O)(C)C)C(F)(F)F"	0	NA	NA	2	2	"462764937"	"2417302077"
"837397"	837397	NA	"CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c3c[nH]c4ncccc34)\C1=O"	0	NA	NA	1	1	"462764921"	"1402057888"
"837398"	837398	NA	"CC[C@@]1(O)CCc2ccc(nc12)N3N(CC=C)C(=O)c4cnc(Nc5ccc(cc5)N6CCN(C)CC6)nc34"	0	NA	NA	2	2	"462764928"	"2376146482"
"838377"	838377	NA	"CCCC[C@@H](COC(=O)N(Cc1cccs1)Cc2cccs2)NC(=O)N[C@@H](CC(=O)OC)c3ccc4OCOc4c3"	0	NA	NA	1	1	"464113151"	"1378532990"
"839102"	839102	NA	"CCOCCOC[C@H]1CCCN(C1)c2ccnc3sc(C(=O)N)c(N)c23"	0	NA	NA	1	1	"469128523"	NA
"839698"	839698	NA	"C[C@@H]1OCC2(CCN(CC2)c3nc(C)c(Sc4ccnc(N)c4Cl)nc3CO)[C@@H]1N"	0	NA	NA	2	2	"470142005"	"2172652489"
"839864"	839864	NA	"NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	0	NA	NA	2	2	"470142031"	"1032350132"
"839865"	839865	NA	"C[C@@H](Nc1nnc(C)c2cnc(cc12)N3CCOCC3)c4cccc(C#N)c4C"	0	NA	NA	1	1	"470142042"	"2654743221"
"839866"	839866	NA	"Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N3CCC4(CC3)CC4)nc(n1)N5CCC(F)(F)CC5"	0	NA	NA	2	2	"470142011"	"2410796799"
"840362"	840362	NA	"CCN1CCN(Cc2ccc3cc(ccc3n2)C(=O)Nc4cc(NC(=O)c5ccc6OCCOc6c5)ccc4F)CC1"	0	NA	NA	2	2	"471299596"	"1693734803"
"840363"	840363	NA	"COCCCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)C=C)c5cc(C6CC6)c(c(OCC(F)(F)F)c5n2)c7c(C)ccc8[nH]ncc78"	0	NA	NA	1	1	"471299458"	"2241719731"
"840579"	840579	NA	"O=C1CC[C@H](N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1"	0	NA	NA	1	1	"471348313"	"2504235678"
"840580"	840580	NA	"Cc1cc2c(C(=O)N)c(N)n(c3c(C)ccc(O)c3C)c2nc1C"	0	NA	NA	1	1	"471348232"	"2719749285"
"841296"	841296	NA	"C[C@@H]1OC(=O)NN=C1c2ccc(c3ccc(F)cc3)c(c2)C(F)(F)F"	0	NA	NA	1	1	"472469456"	"2275774600"
"841441"	841441	NA	"CC(=O)N1CCN(CC1)[C@H]2CCC[C@H](C2)NC(=O)c3cc4c(F)ccc(C)c4[nH]3"	0	NA	NA	1	1	"472441539"	"2411748508"
"841442"	841442	NA	"C[C@@H]1COCCN1c2cc(c3cnn(c4cc[nH]n4)c3n2)[C@]5(O)C[C@H]6CC[C@@H](C5)O6"	0	NA	NA	2	2	"472441570"	"2417489100"
"841801"	841801	NA	"Cl.CC(C)CCN[C@@H]1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2C1"	0	NA	NA	1	1	"472882149"	"2489404977"
"841802"	841802	NA	"C[C@H]1CN(CCN1c2nc(OC[C@@H]3CCCN3C)nc4c(F)c(c(Cl)cc24)c5nc(N)cc(C)c5C(F)(F)F)C(=O)C=C"	0	NA	NA	1	1	"472882142"	"2417987450"
"841803"	841803	NA	"CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2"	0	NA	NA	2	2	"472882258"	"2081072297"
"842116"	842116	NA	"CC(=C)C(=O)Nc1ccc(cc1)c2c(c3ccc(Oc4nccc(C)n4)c(F)c3)c5c(N)ncnc5n2C"	0	NA	NA	1	1	"473144377"	"2688040459"
"842911"	842911	NA	"Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]4CCN(C[C@@H]4F)C(=O)CO)c5ccc(Oc6ncccn6)cc5Cl"	0	NA	NA	2	2	"475547481"	"1660107776"
"843489"	843489	NA	"COc1ncnn2ccc(c3cnc4nc(C)n(Cc5oc(nn5)C(C)F)c4c3)c12"	0	NA	NA	2	1	"475792893"	"2144751788"
"843572"	843572	NA	"Cn1cncc1c2c(F)cncc2NC(=O)c3c(N)nn4cc(F)cnc34"	0	NA	NA	1	1	"475973510"	"1613200513"
"843620"	843620	NA	"C[C@@H]1CN2[C@@H](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C"	0	NA	NA	1	1	"475973518"	NA
"844185"	844185	NA	"[Cl-].Cc1cc[n+]2c(c1)c3cc(cc[n+]3[Ir]245(c6ccccc6c7cccc[n+]47)c8ccccc8c9cccc[n+]59)c%10oc%11ccccc%11n%10"	0	NA	NA	2	2	"483939554"	NA
"844186"	844186	NA	"[Cl-].o1c(nc2ccccc12)c3cc[n+]4c(c3)c5cc(cc[n+]5[Ir]467(c8ccccc8c9cccc[n+]69)c%10ccccc%10c%11cccc[n+]7%11)c%12oc%13ccccc%13n%12"	0	NA	NA	2	2	"483766724"	NA
"844187"	844187	NA	"CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C"	0	NA	NA	1	1	"476298919"	"1290543633"
"845108"	845108	NA	"[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12"	0	NA	NA	1	1	"478844314"	"18080676"
"845308"	845308	NA	"CO[C@]1(CN2CCN3CCCC[C@@H]3C2)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c4ccc5OC[C@]6(CCCc7cc(Cl)ccc67)CN(C[C@@H]8CC[C@@H]18)c5c4"	0	NA	NA	1	1	"480474280"	"2245848057"
"845508"	845508	NA	"COc1cc2c(F)nccc2cc1C(=O)N[C@H]([C@@H]3C[C@@H](O)CN3)c4ccc(F)c(Cl)c4"	0	NA	NA	2	2	"480474279"	"2832159790"
"845762"	845762	NA	"CCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1"	0	NA	NA	2	2	"481711607"	"941987606"
"846146"	846146	NA	"Cc1cc2[nH]ncc2c(c1Cl)c3c(C)n(nc3c4ccc5c(cnn5C)c4)C6CC7(C6)CN(C7)C(=O)C=C"	0	NA	NA	1	1	"481990463"	"2653994080"
"846147"	846147	NA	"CCN(CC)C1CCC(CC1)Nc2c(cnc3ccc(cc23)c4ccc(O)c(Cl)c4)C(=O)C"	0	NA	NA	2	2	"481990451"	"1356943673"
"849221"	849221	NA	"Clc1ccc(cc1Cl)[C@H](NC(=O)c2ccc3cnccc3c2)C4CNC4"	0	NA	NA	2	2	"483937289"	"1334107582"
"849222"	849222	NA	"Clc1ccc(cc1Cl)[C@@H](NC(=O)c2ccc3cnccc3c2)C4CNC4"	0	NA	NA	1	1	"483937275"	"1334108007"
