""	"nsc"	"name"	"testing_status"	"mechanism"	"pubchem_id"	"smiles"	"total_probes"	"total_good_probes"
"764043"	764043	"(+)-JQ1"	"Clinical trial"	"BRD"	-1	"Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C"	2	2
"755400"	755400	"Masitinib"	"Clinical trial"	"PK:YK,PDGFR,FGFR,KIT"	-1	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1"	1	1
"759659"	759659	"Navitoclax"	"Clinical trial"	"Apo|BCL2"	-1	"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"	2	2
"762064"	762064	"Navitoclax"	"Clinical trial"	"Apo|BCL2"	-1	"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"	2	2
"752840"	752840	"Veliparib"	"Clinical trial"	"PARP|PARP1"	-1	"C[C@@]1(CCCN1)c2nc3c(cccc3[nH]2)C(=O)N"	3	1
"756647"	756647	"Quizartinib"	"Clinical trial"	"PK:YK,PDGFR,FLT,KIT,FLT3"	-1	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	2	2
"767006"	767006	"AEW-541"	"Clinical trial"	"PK:YK,IGF1R"	-1	"Nc1ncnc2c1c(cn2[C@@H]3C[C@H](CN4CCC4)C3)c5cccc(OCc6ccccc6)c5"	2	2
"760843"	760843	"Motesanib"	"Clinical trial"	"PK:YK,PDGFR,KIT,VEGFR,RET"	-1	"CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12"	1	1
"758007"	758007	"Tivozanib"	"Clinical trial"	"PK:YK,MET,PDGFR,FGFR,KIT,VEGFR,FLT3"	-1	"COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"	4	4
"756652"	756652	"Linsitinib"	"Clinical trial"	"PK:YK,IGF1R"	-1	"C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26"	2	2
"773394"	773394	"AT-7519"	"Clinical trial"	"RNA polymerase I|PK:CDK,CDK4,CDK6"	-1	"C(=O)(c1c(c[nH]n1)NC(=O)c1c(cccc1Cl)Cl)NC1CCNCC1"	2	2
"755762"	755762	"Luminespib"	"Clinical trial"	"HSP90"	-1	"CCNC(=O)c1noc(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3"	2	2
"758872"	758872	"Saracatinib"	"Clinical trial"	"PK:YK,FYN,LYN,FGFR,SRC,BLK,LCK,YES1"	-1	"CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1"	4	4
"757148"	757148	"AZD-7762"	"Clinical trial"	"PK:STK,CHEK,CHEK1,CHEK2"	-1	"NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3"	4	4
"758871"	758871	"AZD-8055"	"Clinical trial"	"PK:STK,MTOR"	-1	"COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	2	1
"766992"	766992	"BAY 61-3606"	"Clinical trial"	"PK:SYK"	-1	"[Cl-].COc1ccc(cc1OC)c2cc3nccn3c(Nc4ncccc4C(=O)N)n2"	2	1
"755983"	755983	"BI-2536"	"Clinical trial"	"PK:STK,PLK1"	-1	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O"	3	3
"761760"	761760	"BMS-536924"	"Clinical trial"	"PK:YK,IGF1R"	-1	"Cc1cc(cc2[nH]c(nc12)C3=C(NC[C@@H](O)c4cccc(Cl)c4)C=CNC3=O)N5CCOCC5"	2	2
"761217"	761217	"Avagacestat"	"Clinical trial"	"PSM|APH1"	-1	"NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)S(=O)(=O)c3ccc(Cl)cc3"	1	1
"758243"	758243	"BMS-754807"	"Clinical trial"	"PK:YK,IGF1R"	-1	"C[C@]1(CCCN1c2nc(Nc3cc(n[nH]3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6"	2	2
"758485"	758485	"BX-912"	"Clinical trial"	"PK:STK,PDK1"	-1	"Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4"	1	1
"772196"	772196	"Lestaurtinib"	"Clinical trial"	"PK:YK,FLT,NTRK,FLT3,JAK2"	-1	"c12c3c4c5c(c1C(=O)NC2)c1c(n5C2OC(n4c4c3cccc4)(C(C2)(CO)O)C)cccc1"	2	2
"764040"	764040	"Alectinib"	"FDA approved"	"PK:YK,PIK3,ALK,MTOR"	-1	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	2	2
"764091"	764091	"Alectinib"	"FDA approved"	"PK:YK,PIK3,ALK,MTOR"	-1	"C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1"	2	2
"764821"	764821	"Alectinib"	"FDA approved"	"PK:YK,PIK3,ALK,MTOR"	-1	"[Cl-].CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	2	2
"759661"	759661	"Dovitinib"	"Clinical trial"	"PK:YK,MET,PDGFR,EGFR,FGFR,KIT,VEGFR,FLT3"	-1	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O"	2	2
"765695"	765695	"PD 184352"	"Clinical trial"	"PK:MAP2K"	-1	"Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F"	2	2
"755775"	755775	"Foretinib"	"Clinical trial"	"PK:YK,MET,AXL,VEGFR,RON"	-1	"COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6"	2	2
"767951"	767951	"GSK-1904529A"	"Clinical trial"	"PK:IGF1R"	-1	"CCc1cc(Nc2nccc(n2)c3c(nc4ccccn34)c5ccc(OC)c(c5)C(=O)Nc6c(F)cccc6F)c(OC)cc1N7CCC(CC7)N8CCN(CC8)S(=O)(=O)C"	1	1
"764092"	764092	"GSK-2126458"	"Clinical trial"	"PK:PIK3"	-1	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3"	2	2
"766991"	766991	"GSK-690693"	"Clinical trial"	"PK:AKT,AKT1,AKT2,AKT3"	-1	"CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N"	2	2
"777445"	777445	"GSK-1070916"	"Clinical trial"	"PK:AURK"	-1	"c1cnc2c(c1c1cn(nc1c1ccc(cc1)NC(=O)N(C)C)CC)cc(c1cccc(c1)CN(C)C)[nH]2"	2	2
"774829"	774829	"I-BET-762"	"Clinical trial"	"BRD"	-1	"C1(N=C(c2c(n3c1nnc3C)ccc(c2)OC)c1ccc(cc1)Cl)CC(=O)NCC"	1	1
"755386"	755386	"Ispinesib"	"Clinical trial"	"Tu|CC|CDH16|Kinesin|PK:YK"	-1	"CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4"	2	2
"767124"	767124	"Enzastaurin"	"Clinical trial"	"PK:PRKCA,STK,PIK3,AKT"	-1	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7ccccc17"	2	2
"756656"	756656	"MK-2206"	"Clinical trial"	"PK:STK,AKT,AKT1,AKT2,AKT3"	-1	"[Cl-].NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	2	2
"761192"	761192	"Pevonedistat"	"Clinical trial"	"NFkB|NEDD8"	-1	"NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n2ccc3c(N[C@H]4CCc5ccccc45)ncnc23"	2	2
"754349"	754349	"Amuvatinib"	"Clinical trial"	"RAD51|PK:YK,PDGFR,KIT,FLT3"	-1	"S=C(NCc1ccc2OCOc2c1)N3CCN(CC3)c4ncnc5c4oc6ccccc56"	2	2
"764041"	764041	"TAE-684"	"Clinical trial"	"PK:YK,ALK"	-1	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	2	2
"759660"	759660	"OSI-027"	"Clinical trial"	"PK:STK,MTOR"	-1	"[Na+].COc1cccc2cc([nH]c12)c3nc(C4CCC(CC4)C(=O)O)n5ncnc(N)c35"	2	2
"756657"	756657	"OSU-03012"	"Clinical trial"	"PK:STK,PDK1"	-1	"NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F"	2	1
"758247"	758247	"Palbociclib"	"FDA approved"	"PK:STK,CDK,CDK4,CDK6"	-1	"CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O"	2	2
"761190"	761190	"Panobinostat"	"FDA approved"	"HDAC"	-1	"Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3"	2	2
"755770"	755770	"PD-0325901"	"Clinical trial"	"PK:STK,MAP2K"	-1	"OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F"	2	2
"766908"	766908	"PD 173074"	"Clinical trial"	"PK:PDGFR,FGFR,SRC,VEGFR,FGFR1,FGFR3"	-1	"CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3"	2	2
"754356"	754356	"PF-562271"	"Clinical trial"	"PK:YK,FAK"	-1	"CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C"	2	2
"777448"	777448	"PFI-1"	"Clinical trial"	"BRD"	-1	"c1(ccc2c(c1)CN(C(=O)N2)C)NS(=O)(=O)c1ccccc1OC"	1	1
"766271"	766271	"PHA-665752"	"Clinical trial"	"PK:MET"	-1	"Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6"	1	1
"759676"	759676	"PI-103"	"Clinical trial"	"PK:PIK3,MTOR"	-1	"Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2"	2	2
"776996"	776996	"PI-103"	"Clinical trial"	"PK:PIK3,MTOR"	-1	"o1c2c(c3c1c(nc(n3)c1cccc(c1)O)N1CCOCC1)cccn2.Cl"	2	2
"757438"	757438	"PLX-4720"	"Clinical trial"	"GTPase|PK:BRAF"	-1	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F"	4	4
"760444"	760444	"Tipifarnib"	"Clinical trial"	"FT|PK:YK"	-1	"CN1C(=O)C=C(c2cccc(Cl)c2)c3cc(ccc13)[C@](N)(c4ccc(Cl)cc4)c5cncn5C"	2	2
"754357"	754357	"RAF-265"	"Clinical trial"	"GTPase|PK:BRAF"	-1	"Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5ncc([nH]5)C(F)(F)F)ccc13"	2	2
"765866"	765866	"Refametinib"	"Clinical trial"	"PK:MAP2K,MAP2K1,MAP2K2"	-1	"COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(CC(O)CO)CC3"	1	1
"767600"	767600	"Fedratinib"	"Clinical trial"	"PK:FLT,JAK,FLT3,JAK2,RET"	-1	"Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C"	1	1
"754362"	754362	"SB-590885"	"Clinical trial"	"GTPase|PK:YK,BRAF"	-1	"CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4"	3	3
"764517"	764517	"UNC-0638"	"Clinical trial"	"EHMT2|EHMT1/2"	-1	"COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5"	1	1
"755761"	755761	"XAV-939"	"Clinical trial"	"Wnt|PK:YK,TNKS"	-1	"Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F"	2	1
"755387"	755387	"Sepantronium bromide"	"Clinical trial"	"Apo|BIRC5"	-1	"[Br-].COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13"	2	2
"764516"	764516	"ZSTK-474"	"Clinical trial"	"PK:PIK3"	-1	"FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5"	2	2
