ID	NAME	CLEAN_NAME	SMILES	INCHIKEY	PUBCHEM
CCLE.1	AEW541	AEW541	C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N	11476171
CCLE.10	ZD-6474	ZD6474	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	3081361
CCLE.11	Panobinostat	PANOBINOSTAT	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	6918837
CCLE.12	Sorafenib	SORAFENIB	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	216239
CCLE.13	Irinotecan	IRINOTECAN	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	60838
CCLE.14	Topotecan	TOPOTECAN	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)[NH+]=C5C=CC(=C(C5=C4)CN(C)C)O)O.[Cl-]	DGHHQBMTXTWTJV-BQAIUKQQSA-N	11972519
CCLE.15	LBW242	LBW242	CC(C(=O)NC(C1CCCCC1)C(=O)N2CCC3C2CN(CC3)CCC4=CC=CC=C4)NC	HCSMRSHIIKPNAK-LSAVBLLPSA-N	11503417
CCLE.16	PD-0325901	PD0325901	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O	SUDAHWBOROXANE-SECBINFHSA-N	9826528
CCLE.17	PD-0332991	PD0332991	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	5330286
CCLE.18	Paclitaxel	PACLITAXEL	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7	RCINICONZNJXQF-MZXODVADSA-N	36314
CCLE.19	AZD6244	AZD6244	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	10127622
CCLE.2	Nilotinib	NILOTINIB	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	644241
CCLE.20	PLX4720	PLX4720	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	24180719
CCLE.21	RAF265	RAF265	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	11656518
CCLE.22	TAE684	TAE684	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	16038120
CCLE.23	TKI258	TKI258	CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3	KCOYQXZDFIIGCY-ZZEZOPTASA-N	9886808
CCLE.24	Erlotinib	ERLOTINIB	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N	176871
CCLE.3	17-AAG	17AAG	CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	6505803
CCLE.4	PHA-665752	PHA665752	CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	10461815
CCLE.5	Lapatinib	LAPATINIB	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	208908
CCLE.6	Nutlin-3	NUTLIN3	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	216345
CCLE.7	AZD0530	AZD0530	CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6	OUKYUETWWIPKQR-UHFFFAOYSA-N	10302451
CCLE.8	PF2341066	PF2341066	CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	SCJHEFQWKWHQTO-GFCCVEGCSA-N	54613769
CCLE.9	L-685458	L685458	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	5479543
CTRP.1	16-beta-bromoandrosterone	16BETABROMOANDROSTERONE	NULL	NULL	NULL
CTRP.10	ABT-263	ABT263	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	24978538
CTRP.100	BRD-K45681478	BRDK45681478	NULL	NULL	NULL
CTRP.101	BRD-K48334597	BRDK48334597	NULL	NULL	NULL
CTRP.102	BRD-K48477130	BRDK48477130	NULL	NULL	NULL
CTRP.103	BRD-K49290616	BRDK49290616	OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1	NULL	NULL
CTRP.104	BRD-K50799972	BRDK50799972	COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1	NULL	NULL
CTRP.105	BRD-K51490254	BRDK51490254	-666	NULL	NULL
CTRP.106	BRD-K51831558	BRDK51831558	NULL	NULL	NULL
CTRP.107	BRD-K52037352	BRDK52037352	NULL	NULL	NULL
CTRP.108	BRD-K55116708	BRDK55116708	C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4c(NC(=O)Nc5ccccc5)cccc4C1=O	NULL	NULL
CTRP.109	BRD-K55473186	BRDK55473186	NULL	NULL	NULL
CTRP.11	ABT-737	ABT737	CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N	11228183
CTRP.110	BRD-K58730230	BRDK58730230	NULL	NULL	NULL
CTRP.111	BRD-K61166597	BRDK61166597	NULL	NULL	NULL
CTRP.112	BRD-K63431240	BRDK63431240	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O	NULL	NULL
CTRP.113	BRD-K64610608	BRDK64610608	NULL	NULL	NULL
CTRP.114	BRD-K66453893	BRDK66453893	NULL	NULL	NULL
CTRP.115	BRD-K66532283	BRDK66532283	NULL	NULL	NULL
CTRP.116	BRD-K70511574	BRDK70511574	NULL	NULL	NULL
CTRP.117	BRD-K71781559	BRDK71781559	NULL	NULL	NULL
CTRP.118	BRD-K71935468	BRDK71935468	COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC	NULL	NULL
CTRP.119	BRD-K75293299	BRDK75293299	NULL	NULL	NULL
CTRP.12	ABT-888	ABT888	CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N	JNAHVYVRKWKWKQ-CYBMUJFWSA-N	11960529
CTRP.120	BRD-K78574327	BRDK78574327	NULL	NULL	NULL
CTRP.121	BRD-K79669418	BRDK79669418	NULL	NULL	NULL
CTRP.122	BRD-K80183349	BRDK80183349	NULL	NULL	NULL
CTRP.123	BRD-K84807411	BRDK84807411	NULL	NULL	NULL
CTRP.124	BRD-K85133207	BRDK85133207	NULL	NULL	NULL
CTRP.125	BRD-K86535717	BRDK86535717	CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC	NULL	NULL
CTRP.126	BRD-K88742110	BRDK88742110	COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1	NULL	NULL
CTRP.127	BRD-K90370028	BRDK90370028	NULL	NULL	NULL
CTRP.128	BRD-K92856060	BRDK92856060	NULL	NULL	NULL
CTRP.129	BRD-K94991378	BRDK94991378	COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17	NULL	NULL
CTRP.13	AC55649	AC55649	CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O	HXBKPYIEQLLNBK-UHFFFAOYSA-N	1714884
CTRP.130	BRD-K96431673	BRDK96431673	CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1	NULL	NULL
CTRP.131	BRD-K96970199	BRDK96970199	NULL	NULL	NULL
CTRP.132	BRD-K97651142	BRDK97651142	NULL	NULL	NULL
CTRP.133	BRD-K99006945	BRDK99006945	NULL	NULL	NULL
CTRP.134	BRD-K99584050	BRDK99584050	NULL	NULL	NULL
CTRP.135	BRD-M00053801	BRDM00053801	NULL	NULL	NULL
CTRP.136	BRD1812	BRD1812	NULL	NULL	NULL
CTRP.137	BRD1835	BRD1835	NULL	NULL	NULL
CTRP.138	BRD4132	BRD4132	NULL	NULL	7326481
CTRP.139	BRD6340	BRD6340	NULL	NULL	1641662
CTRP.14	AGK-2	AGK2	C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N	SVENPFFEMUOOGK-SDNWHVSQSA-N	2130404
CTRP.140	BRD8899	BRD8899	NULL	NULL	NULL
CTRP.141	BRD8958	BRD8958	NULL	NULL	NULL
CTRP.142	BRD9647	BRD9647	NULL	NULL	1242560
CTRP.143	BRD9876	BRD9876	CC(C)(C)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N	MKILROQBJOOZKC-UHFFFAOYSA-N	613000
CTRP.144	BRD9876:MK-1775	BRD9876MK1775	NULL	NULL	NULL
CTRP.145	BYL-719	BYL719	NULL	NULL	56649450
CTRP.146	Bafilomycin-A1	BAFILOMYCINA1	NULL	NULL	6436223
CTRP.147	Barasertib	BARASERTIB	CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1	NULL	11497983
CTRP.148	Bardoxolone-methyl	BARDOXOLONEMETHYL	CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C	WPTTVJLTNAWYAO-KPOXMGGZSA-N	400769
CTRP.149	Bax-channel-blocker	BAXCHANNELBLOCKER	OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24	NULL	2729026
CTRP.15	AM-580	AM580	CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C	SZWKGOZKRMMLAJ-UHFFFAOYSA-N	2126
CTRP.150	Belinostat	BELINOSTAT	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	6918638
CTRP.151	Bendamustine	BENDAMUSTINE	NULL	NULL	65628
CTRP.152	Betulinic-acid	BETULINICACID	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12)C(=O)O	QGJZLNKBHJESQX-FZFNOLFKSA-N	64971
CTRP.153	Bexarotene	BEXAROTENE	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	82146
CTRP.154	Birinapant	BIRINAPANT	NULL	NULL	49836020
CTRP.155	Blebbistatin	BLEBBISTATIN	CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O	LZAXPYOBKSJSEX-UHFFFAOYSA-N	3476986
CTRP.156	Bleomycin	BLEOMYCIN	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	WUIABRMSWOKTOF-NUAMMRKQSA-N	54608728
CTRP.157	Bortezomib	BORTEZOMIB	B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	387447
CTRP.158	Bosutinib	BOSUTINIB	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	5328940
CTRP.159	Brefeldin-A	BREFELDINA	CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O	KQNZDYYTLMIZCT-KQPMLPITSA-N	5287620
CTRP.16	AT-406	AT406	NULL	NULL	25022340
CTRP.160	Brivanib	BRIVANIB	C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C	NULL	11234052
CTRP.161	C6-ceramide	C6CERAMIDE	NULL	NULL	5702613
CTRP.162	CAL-101	CAL101	NULL	NULL	11625818
CTRP.163	CAY10576	CAY10576	NULL	NULL	11626927
CTRP.164	CAY10594	CAY10594	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4	FAIFAFUXFFWVNQ-UHFFFAOYSA-N	25105715
CTRP.165	CAY10618	CAY10618	C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4	SJOLTIOPWDLDEB-UHFFFAOYSA-N	44819697
CTRP.166	CBB-1007	CBB1007	NULL	NULL	NULL
CTRP.167	CCT036477	CCT036477	CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4	IFOHRIXRQPOHQZ-UHFFFAOYSA-N	3634881
CTRP.168	CD-1530	CD1530	C1=CC(=NC(=C1F)Cl)Cl	YAXSIJLRAOURJK-UHFFFAOYSA-N	13290751
CTRP.169	CD-437	CD437	CC1=CC(=CC(=C1OC)C)C=O	SNIGEINPLSDHBQ-UHFFFAOYSA-N	2758573
CTRP.17	AT13387	AT13387	NULL	NULL	11955716
CTRP.170	CHEMBL1222381	CHEMBL1222381	C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3	SYENTKHGMVKGAQ-UHFFFAOYSA-N	19582717
CTRP.171	CHEMBL374350	CHEMBL374350	CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C	CYCGGKILBWERDJ-UHFFFAOYSA-N	2858523
CTRP.172	CHIR-99021	CHIR99021	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	9956119
CTRP.173	CHM-1	CHM1	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4F	ZMYDAPJHGNEFGQ-UHFFFAOYSA-N	375860
CTRP.174	CI-976	CI976	CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC	WAFNZAURAWBNDZ-UHFFFAOYSA-N	122327
CTRP.175	CID-5951923	CID5951923	NULL	NULL	5951923
CTRP.176	CIL41	CIL41	NULL	NULL	NULL
CTRP.177	CIL55	CIL55	NULL	NULL	NULL
CTRP.178	CIL55A	CIL55A	NULL	NULL	NULL
CTRP.179	CIL56	CIL56	NULL	NULL	654092
CTRP.18	AT7867	AT7867	Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1	NULL	11175137
CTRP.180	CIL70	CIL70	C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)O)C(=O)C=C1	FMSOAWSKCWYLBB-VBGLAJCLSA-N	5493381
CTRP.181	COL-3	COL3	NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O	NULL	54678924
CTRP.182	CR-1-31B	CR131B	[Cr]	VYZAMTAEIAYCRO-UHFFFAOYSA-N	23976
CTRP.183	Cabozantinib	CABOZANTINIB	NULL	NULL	25102847
CTRP.184	Canertinib	CANERTINIB	Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl	NULL	156414
CTRP.185	Carboplatin	CARBOPLATIN	NULL	NULL	38904
CTRP.186	Carboplatin:UNC0638	CARBOPLATINUNC0638	NULL	NULL	NULL
CTRP.187	Carboplatin:etoposide	CARBOPLATINETOPOSIDE	NULL	NULL	NULL
CTRP.188	Cediranib	CEDIRANIB	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	NULL	9933475
CTRP.189	Ceranib-2	CERANIB2	NULL	NULL	122388991
CTRP.19	ATRA	ATRA	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	444795
CTRP.190	Cerulenin	CERULENIN	CC=CCC=CCCC(=O)C1C(O1)C(=O)N	GVEZIHKRYBHEFX-NQQPLRFYSA-N	5282054
CTRP.191	Ch-55	CH55	CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C	FOUVTBKPJRMLPE-FMIVXFBMSA-N	6184667
CTRP.192	Chlorambucil	CHLORAMBUCIL	OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl	JCKYGMPEJWAADB-UHFFFAOYSA-N	2708
CTRP.193	Ciclopirox	CICLOPIROX	Cc1cc(C2CCCCC2)n(O)c(=O)c1	SCKYRAXSEDYPSA-UHFFFAOYSA-N	2749
CTRP.194	Ciclosporin	CICLOSPORIN	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	PMATZTZNYRCHOR-KMSBSJHKSA-N	6435893
CTRP.195	Cimetidine	CIMETIDINE	CNC(=NC#N)NCCSCc1nc[nH]c1C	AQIXAKUUQRKLND-UHFFFAOYSA-N	2756
CTRP.196	Clofarabine	CLOFARABINE	Nc1nc(Cl)nc2n(cnc12)C3OC(CO)C(O)C3F	WDDPHFBMKLOVOX-UHFFFAOYSA-N	119182
CTRP.197	Compound-1541A	COMPOUND1541A	NULL	NULL	NULL
CTRP.198	Compound-1B	COMPOUND1B	NULL	NULL	NULL
CTRP.199	Compound-23-citrate	COMPOUND23CITRATE	NULL	NULL	NULL
CTRP.2	17-AAG	17AAG	CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	6505803
CTRP.20	AZ-3146	AZ3146	NULL	NULL	56973724
CTRP.200	Compound-7d-cis	COMPOUND7DCIS	NULL	NULL	NULL
CTRP.201	Crizotinib	CRIZOTINIB	CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	SCJHEFQWKWHQTO-GFCCVEGCSA-N	54613769
CTRP.202	Crizotinib:PLX-4032	CRIZOTINIBPLX4032	NULL	NULL	NULL
CTRP.203	Cucurbitacin-I	CUCURBITACINI	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C	NISPVUDLMHQFRQ-MKIKIEMVSA-N	5281321
CTRP.204	Curcumin	CURCUMIN	COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O	VFLDPWHFBUODDF-FCXRPNKRSA-N	969516
CTRP.205	Cyanoquinoline-11	CYANOQUINOLINE11	Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl	NULL	NULL
CTRP.206	Cyclophosphamide	CYCLOPHOSPHAMIDE	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N	2907
CTRP.207	Cytarabine	CYTARABINE	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl	KCURWTAZOZXKSJ-UHFFFAOYSA-N	5351180
CTRP.208	Cytochalasin-b	CYTOCHALASINB	CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O	GBOGMAARMMDZGR-TYHYBEHESA-N	5311281
CTRP.209	DBeQ	DBEQ	NULL	NULL	676352
CTRP.21	AZD-2281	AZD2281	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	23725625
CTRP.210	Dabrafenib	DABRAFENIB	CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F	NULL	44462760
CTRP.211	Dacarbazine	DACARBAZINE	CN(C)N=Nc1[nH]cnc1C(=O)N	FDKXTQMXEQVLRF-ZHACJKMWSA-N	5353562
CTRP.212	Darinaparsin	DARINAPARSIN	C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	JGDXFQORBMPJGR-YUMQZZPRSA-N	11683005
CTRP.213	Dasatinib	DASATINIB	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	3062316
CTRP.214	Decitabine	DECITABINE	Nc1ncn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	XAUDJQYHKZQPEU-KVQBGUIXSA-N	451668
CTRP.215	Decitabine:carboplatin	DECITABINECARBOPLATIN	NULL	NULL	NULL
CTRP.216	Decitabine:navitoclax	DECITABINENAVITOCLAX	NULL	NULL	NULL
CTRP.217	Dexamethasone	DEXAMETHASONE	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	UREBDLICKHMUKA-CXSFZGCWSA-N	5743
CTRP.218	Dinaciclib	DINACICLIB	NULL	NULL	46926350
CTRP.219	Docetaxel	DOCETAXEL	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	148124
CTRP.22	AZD-7545	AZD7545	CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O	DTDZLJHKVNTQGZ-GOSISDBHSA-N	16741245
CTRP.220	Docetaxel:tanespimycin	DOCETAXELTANESPIMYCIN	NULL	NULL	NULL
CTRP.221	Doxorubicin	DOXORUBICIN	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBJBKNOSA-N	32874
CTRP.222	Doxorubicin:navitoclax	DOXORUBICINNAVITOCLAX	NULL	NULL	NULL
CTRP.223	ELCPK	ELCPK	NULL	NULL	NULL
CTRP.224	ETP-46464	ETP46464	NULL	NULL	72199292
CTRP.225	EX-527	EX527	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	5113032
CTRP.226	Elocalcitol	ELOCALCITOL	NULL	NULL	11396600
CTRP.227	Epigallocatechin-3-monogallate	EPIGALLOCATECHIN3MONOGALLATE	NULL	NULL	65064
CTRP.228	Erastin	ERASTIN	CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl	BKQFRNYHFIQEKN-UHFFFAOYSA-N	11214940
CTRP.229	Erismodegib	ERISMODEGIB	C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1	NULL	24775005
CTRP.23	AZD0530	AZD0530	CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6	OUKYUETWWIPKQR-UHFFFAOYSA-N	10302451
CTRP.230	Erlotinib	ERLOTINIB	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N	176871
CTRP.231	Erlotinib:PLX-4032	ERLOTINIBPLX4032	NULL	NULL	NULL
CTRP.232	Etomoxir	ETOMOXIR	CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl	DZLOHEOHWICNIL-UHFFFAOYSA-N	123823
CTRP.233	Etoposide	ETOPOSIDE	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26	VJJPUSNTGOMMGY-MRVIYFEKSA-N	36462
CTRP.234	FGIN-1-27	FGIN127	CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F	VUWXAQFLTSBUDB-UHFFFAOYSA-N	132496
CTRP.235	FK866	FK866	C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	6914657
CTRP.236	FQI-1	FQI1	CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4	YKSYGLXHLSPWLB-UHFFFAOYSA-N	656346
CTRP.237	FQI-2	FQI2	NULL	NULL	NULL
CTRP.238	FSC231	FSC231	NULL	NULL	NULL
CTRP.239	Fingolimod	FINGOLIMOD	NULL	NULL	107970
CTRP.24	AZD1480	AZD1480	CC(Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1	NULL	16659841
CTRP.240	Fluvastatin	FLUVASTATIN	CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13	FJLGEFLZQAZZCD-MCBHFWOFSA-N	446155
CTRP.241	Foretinib	FORETINIB	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	CXQHYVUVSFXTMY-UHFFFAOYSA-N	42642645
CTRP.242	Fulvestrant	FULVESTRANT	C[C@@]12CC[C@H]3C([C@@H]2CC[C@@H]1O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34	VWUXBMIQPBEWFH-WCCTWKNTSA-N	104741
CTRP.243	Fumonisin-B1	FUMONISINB1	CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O	UVBUBMSSQKOIBE-UHFFFAOYSA-N	3431
CTRP.244	GANT-61	GANT61	CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C	KVQOGDQTWWCZFX-UHFFFAOYSA-N	421610
CTRP.245	GDC-0879	GDC0879	OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CCC2=N/O)c1	NULL	11717001
CTRP.246	GDC-0941	GDC0941	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	17755052
CTRP.247	GMX-1778	GMX1778	Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1	NULL	NULL
CTRP.248	GSK-3-inhibitor-IX	GSK3INHIBITORIX	ONC1=c2ccccc2=NC1=C3C(=O)Nc4cc(Br)ccc34	WNWSUJQVZJJGLF-SQFISAMPSA-N	5287844
CTRP.249	GSK-J4	GSKJ4	NULL	NULL	71729975
CTRP.25	AZD4547	AZD4547	NULL	NULL	51039095
CTRP.250	GSK1059615	GSK1059615	C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N	23582824
CTRP.251	GSK1120212	GSK1120212	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	11707110
CTRP.252	GSK2636771	GSK2636771	NULL	NULL	56949517
CTRP.253	GSK4112	GSK4112	NULL	NULL	50905018
CTRP.254	GSK461364	GSK461364	CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N	ZHJGWYRLJUCMRT-QGZVFWFLSA-N	15983966
CTRP.255	GSK525762A	GSK525762A	NULL	NULL	46943432
CTRP.256	GW-405833	GW405833	CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4	FSFZRNZSZYDVLI-UHFFFAOYSA-N	9911463
CTRP.257	GW843682X	GW843682X	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	9826308
CTRP.258	Gefitinib	GEFITINIB	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	123631
CTRP.259	Gemcitabine	GEMCITABINE	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl	OKKDEIYWILRZIA-UHFFFAOYSA-N	356653
CTRP.26	AZD6244	AZD6244	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	10127622
CTRP.260	Gossypol	GOSSYPOL	CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C	QBKSWRVVCFFDOT-UHFFFAOYSA-N	3503
CTRP.261	HBX-41108	HBX41108	NULL	NULL	NULL
CTRP.262	HC-067047	HC067047	NULL	NULL	2742550
CTRP.263	HLI-373	HLI373	CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12	NULL	435678
CTRP.264	Hyperforin	HYPERFORIN	CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	NULL	441298
CTRP.265	I-BET151	IBET151	NULL	NULL	52912189
CTRP.266	IC-87114	IC87114	NULL	NULL	9908783
CTRP.267	IPR-456	IPR456	NULL	NULL	NULL
CTRP.268	ISOX	ISOX	CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO	NULL	NULL
CTRP.269	ISOX:bortezomib	ISOXBORTEZOMIB	NULL	NULL	NULL
CTRP.27	AZD6482	AZD6482	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	44137675
CTRP.270	IU1	IU1	NULL	NULL	675434
CTRP.271	Ibrutinib	IBRUTINIB	Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C	NULL	24821094
CTRP.272	Ifosfamide	IFOSFAMIDE	ClCCN[P@]1(=O)OCCCN1CCCl	HOMGKSMUEGBAAB-UHFFFAOYSA-N	3690
CTRP.273	Imatinib	IMATINIB	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	5291
CTRP.274	Importazole	IMPORTAZOLE	CC(Nc1nc(nc2ccccc12)N3CCCC3)c4ccccc4	NULL	2949965
CTRP.275	Indisulam	INDISULAM	C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl	SETFNECMODOHTO-UHFFFAOYSA-N	216468
CTRP.276	Isoevodiamine	ISOEVODIAMINE	CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3	TXDUTHBFYKGSAH-UHFFFAOYSA-N	151289
CTRP.277	Isoliquiritigenin	ISOLIQUIRITIGENIN	C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O	DXDRHHKMWQZJHT-FPYGCLRLSA-N	638278
CTRP.278	Isonicotinohydroxamic-acid	ISONICOTINOHYDROXAMICACID	ONC(=O)c1ccncc1	NULL	72967
CTRP.279	Istradefylline	ISTRADEFYLLINE	NULL	NULL	5311037
CTRP.28	AZD7762	AZD7762	C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	11152667
CTRP.280	Itraconazole	ITRACONAZOLE	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	VHVPQPYKVGDNFY-TUJWMRSMSA-N	14179013
CTRP.281	JNJ-26854165	JNJ26854165	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	11609586
CTRP.282	JQ-1	JQ1	CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DOXYOPGGFSMXOX-GOSISDBHSA-N	71300862
CTRP.283	JQ-1:MK-0752	JQ1MK0752	NULL	NULL	NULL
CTRP.284	JQ-1:UNC0638	JQ1UNC0638	NULL	NULL	NULL
CTRP.285	JQ-1:carboplatin	JQ1CARBOPLATIN	NULL	NULL	NULL
CTRP.286	JQ-1:navitoclax	JQ1NAVITOCLAX	NULL	NULL	NULL
CTRP.287	JQ-1:vorinostat	JQ1VORINOSTAT	NULL	NULL	NULL
CTRP.288	JW-480	JW480	NULL	NULL	57330099
CTRP.289	JW-55	JW55	NULL	NULL	2946601
CTRP.29	AZD8055	AZD8055	CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOCC5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	25262965
CTRP.290	JW-74	JW74	NULL	NULL	NULL
CTRP.291	KH-CB19	KHCB19	NULL	NULL	44237094
CTRP.292	KHS101	KHS101	NULL	NULL	71304818
CTRP.293	KPT185	KPT185	NULL	NULL	53495165
CTRP.294	KU-0060648	KU0060648	CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	NULL	NULL
CTRP.295	KU-0063794	KU0063794	COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1	NULL	16736978
CTRP.296	KU-55933	KU55933	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	5278396
CTRP.297	KU-60019	KU60019	CC1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC(C)O1	NULL	15953870
CTRP.298	KW-2449	KW2449	NULL	NULL	11427553
CTRP.299	KX2-391	KX2391	NULL	NULL	23635314
CTRP.3	1S-3R-RSL-3	1S3RRSL3	NULL	NULL	NULL
CTRP.30	Abiraterone	ABIRATERONE	CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O	GZOSMCIZMLWJML-VJLLXTKPSA-N	132971
CTRP.300	Ki8751	KI8751	COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC	NULL	11317348
CTRP.301	Ko-143	KO143	CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC	NXNRAECHCJZNRF-JBACZVJFSA-N	10322450
CTRP.302	L-685458	L685458	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O	MURCDOXDAHPNRQ-ZJKZPDEISA-N	5479543
CTRP.303	LE-135	LE135	CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C	YZZAIQOVMHVWBS-UHFFFAOYSA-N	10410894
CTRP.304	LRRK2-IN-1	LRRK2IN1	NULL	NULL	46843906
CTRP.305	LY-2157299	LY2157299	NULL	NULL	10090485
CTRP.306	LY-2183240	LY2183240	CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3	GZNIYOXWFCDBBJ-UHFFFAOYSA-N	11507802
CTRP.307	Lapatinib	LAPATINIB	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	208908
CTRP.308	Lenvatinib	LENVATINIB	NULL	NULL	9823820
CTRP.309	Leptomycin-B	LEPTOMYCINB	NULL	NULL	6917907
CTRP.31	Alisertib	ALISERTIB	COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O	NULL	24771867
CTRP.310	Linifanib	LINIFANIB	Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1	NULL	11485656
CTRP.311	Lomeguatrib	LOMEGUATRIB	NULL	NULL	3025944
CTRP.312	Lovastatin	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	PCZOHLXUXFIOCF-BXMDZJJMSA-N	53232
CTRP.313	MG-132	MG132	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	462382
CTRP.314	MGCD-265	MGCD265	Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1	NULL	24901704
CTRP.315	MI-1	MI1	NULL	NULL	NULL
CTRP.316	MI-2	MI2	NULL	NULL	54765302
CTRP.317	MK-0752	MK0752	NULL	NULL	9803433
CTRP.318	MK-1775	MK1775	CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1	NULL	24856436
CTRP.319	MK-2206	MK2206	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl	HWUHTJIKQZZBRA-UHFFFAOYSA-N	46930998
CTRP.32	Alisertib:navitoclax	ALISERTIBNAVITOCLAX	NULL	NULL	NULL
CTRP.320	ML006	ML006	C1COCCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4	XAYFWWVZSYKDIS-UHFFFAOYSA-N	2842253
CTRP.321	ML031	ML031	CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O	JRESCQKIRPOOEM-UHFFFAOYSA-N	2113511
CTRP.322	ML050	ML050	C1C=CC2C1C(NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5	YOLTZIVRJAPVPH-UHFFFAOYSA-N	3136844
CTRP.323	ML083	ML083	NULL	NULL	650361
CTRP.324	ML162	ML162	COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl	UNVKYJSNMVDZJE-UHFFFAOYSA-N	3689413
CTRP.325	ML203	ML203	C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4	GMHIOMMKSMSRLY-UHFFFAOYSA-N	44543605
CTRP.326	ML210	ML210	NULL	NULL	NULL
CTRP.327	ML239	ML239	NULL	NULL	49843203
CTRP.328	ML258	ML258	NULL	NULL	53301938
CTRP.329	ML311	ML311	NULL	NULL	3384730
CTRP.33	Alvocidib	ALVOCIDIB	CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl	NULL	5287969
CTRP.330	ML312	ML312	NULL	NULL	NULL
CTRP.331	ML320	ML320	NULL	NULL	NULL
CTRP.332	ML334-diastereomer	ML334DIASTEREOMER	NULL	NULL	NULL
CTRP.333	MLN2238	MLN2238	B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O	MXAYKZJJDUDWDS-LBPRGKRZSA-N	25183872
CTRP.334	MLN2480	MLN2480	NULL	NULL	25161177
CTRP.335	MLN4924	MLN4924	C1CC2=CC=CC=C2C1NC3=NC=NC4=C3C=CN4C5CC(C(C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-ZIODWWTISA-N	71729979
CTRP.336	MS-275	MS275	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	4261
CTRP.337	MST-312	MST312	C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O	MIQUEZGHEJGPJB-UHFFFAOYSA-N	10385095
CTRP.338	Manumycin-A	MANUMYCINA	CCCC[C@@H](C)/C=C(C)/C=C(C)/C(=O)NC1=C[C@@](O)(C=CC=CC=CC(=O)NC2C(=O)CCC2=O)[C@@H]3O[C@@H]3C1=O	NULL	6438330
CTRP.339	Marinopyrrole-A	MARINOPYRROLEA	NULL	NULL	24797083
CTRP.34	Apicidin	APICIDIN	-666	NULL	6918328
CTRP.340	Masitinib	MASITINIB	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1	NULL	10074640
CTRP.341	Mdivi-1	MDIVI1	NULL	NULL	3825829
CTRP.342	Merck60	MERCK60	CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3	NULL	NULL
CTRP.343	Methotrexate	METHOTREXATE	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	126941
CTRP.344	Methylstat	METHYLSTAT	NULL	NULL	NULL
CTRP.345	Mitomycin-C	MITOMYCINC	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	5746
CTRP.346	Momelotinib	MOMELOTINIB	NULL	NULL	25062766
CTRP.347	Myricetin	MYRICETIN	Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3	IKMDFBPHZNJCSN-UHFFFAOYSA-N	5281672
CTRP.348	Myriocin	MYRIOCIN	CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)(C(=O)[O-])[NH3+])O)O	ZZIKIHCNFWXKDY-OZKYFCMZSA-N	25791047
CTRP.349	N9-isopropylolomoucine	N9ISOPROPYLOLOMOUCINE	CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO	WHDJEAZLMYPLGL-UHFFFAOYSA-N	6610355
CTRP.35	Austocystin-d	AUSTOCYSTIND	CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4(C=CO5)O)O)O	VXTQFTUOAJRUDO-IFMALSPDSA-N	5470400
CTRP.350	NPC-26	NPC26	NULL	NULL	NULL
CTRP.351	NSC-74859	NSC74859	NULL	NULL	252682
CTRP.352	NSC19630	NSC19630	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N	227681
CTRP.353	NSC23766	NSC23766	CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C	DEFBCZWQLILOJF-UHFFFAOYSA-N	409805
CTRP.354	NSC30930	NSC30930	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3)C(=O)O	MVCLSAMNMAWXFQ-UHFFFAOYSA-N	81146
CTRP.355	NSC48300	NSC48300	C1=CC(=CC=C1CC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O	LONYFCOVHHQLGM-UHFFFAOYSA-N	241158
CTRP.356	NSC632839	NSC632839	CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O.Cl	ZOKZLTXPTLIWOJ-BYCVLTJGSA-N	5351362
CTRP.357	NSC95397	NSC95397	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO	MAASHDQFQDDECQ-UHFFFAOYSA-N	262093
CTRP.358	NVP-231	NVP231	NULL	NULL	4096211
CTRP.359	NVP-ADW742	NVPADW742	NULL	NULL	9825149
CTRP.36	Avicin-D	AVICIND	CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(CO)=CCC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(CO)=CCCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	NULL	44566777
CTRP.360	NVP-BEZ235	NVPBEZ235	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	11977753
CTRP.361	NVP-BSK805	NVPBSK805	NULL	NULL	46398810
CTRP.362	Nakiterpiosin	NAKITERPIOSIN	CC1CC(OC1=O)C(C(C2=C(C3=C(C=C2)C4CC(C56C(OCC(O5)CC6(C4C3=O)C)O)Br)C)C(Cl)Cl)O	ZZCVHHDIBFSYFY-JMQRXBQWSA-N	54613361
CTRP.363	Narciclasine	NARCICLASINE	C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O	LZAZURSABQIKGB-AEKGRLRDSA-N	72376
CTRP.364	Navitoclax:MST-312	NAVITOCLAXMST312	NULL	NULL	NULL
CTRP.365	Navitoclax:PLX-4032	NAVITOCLAXPLX4032	NULL	NULL	NULL
CTRP.366	Navitoclax:birinapant	NAVITOCLAXBIRINAPANT	NULL	NULL	NULL
CTRP.367	Navitoclax:gemcitabine	NAVITOCLAXGEMCITABINE	NULL	NULL	NULL
CTRP.368	Navitoclax:piperlongumine	NAVITOCLAXPIPERLONGUMINE	NULL	NULL	NULL
CTRP.369	Navitoclax:pluripotin	NAVITOCLAXPLURIPOTIN	NULL	NULL	NULL
CTRP.37	Avrainvillamide	AVRAINVILLAMIDE	CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)[O-])C	ALXLLOQTGLPCFG-ATANMQQVSA-N	11719255
CTRP.370	Navitoclax:sorafenib	NAVITOCLAXSORAFENIB	NULL	NULL	NULL
CTRP.371	Necrostatin-1	NECROSTATIN1	CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32	TXUWMXQFNYDOEZ-UHFFFAOYSA-N	2828334
CTRP.372	Necrostatin-7	NECROSTATIN7	NULL	NULL	1239801
CTRP.373	Necrosulfonamide	NECROSULFONAMIDE	NULL	NULL	1566236
CTRP.374	Nelarabine	NELARABINE	COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N	3011155
CTRP.375	Neopeltolide	NEOPELTOLIDE	CCCC1CC(CC(CC2CC(CC(O2)CC(=O)O1)OC(=O)C=CCCC3=COC(=N3)C=CCNC(=O)OC)C)OC	YRSJLYCTJWNTMF-KXXBBFITSA-N	23661650
CTRP.376	Neratinib	NERATINIB	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C	JWNPDZNEKVCWMY-VQHVLOKHSA-N	9915743
CTRP.377	Niclosamide	NICLOSAMIDE	Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]	RJMUSRYZPJIFPJ-UHFFFAOYSA-N	4477
CTRP.378	Nilotinib	NILOTINIB	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	644241
CTRP.379	Nintedanib	NINTEDANIB	COC(=O)c1ccc2c(NC(=O)C2=C(/Nc2ccc(cc2)N(C)C(=O)CN2CCN(C)CC2)c2ccccc2)c1	NULL	9809715
CTRP.38	Axitinib	AXITINIB	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	6450551
CTRP.380	Nutlin-3	NUTLIN3	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N	216345
CTRP.381	O-6-benzylguanine	O6BENZYLGUANINE	C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N	KRWMERLEINMZFT-UHFFFAOYSA-N	4578
CTRP.382	OSI-027	OSI027	COc1cccc2cc([nH]c12)-c1nc([C@@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12	NULL	44224160
CTRP.383	OSI-906	OSI906	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	11640390
CTRP.384	OSI-930	OSI930	FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1	NULL	9868037
CTRP.385	Obatoclax-Mesylate	OBATOCLAXMESYLATE	NULL	NULL	16681698
CTRP.386	Oligomycin-a	OLIGOMYCINA	CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C	MNULEGDCPYONBU-QECWTJOCSA-N	5472285
CTRP.387	Omacetaxine-mepesuccinate-	OMACETAXINEMEPESUCCINATE	CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O	HYFHYPWGAURHIV-JFIAXGOJSA-N	285033
CTRP.388	Ouabain	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	LPMXVESGRSUGHW-HBYQJFLCSA-N	439501
CTRP.389	Oxaliplatin	OXALIPLATIN	C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]	PCRKGXHIGVOZKB-BNTLRKBRSA-L	24197464
CTRP.39	Azacitidine	AZACITIDINE	Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	NMUSYJAQQFHJEW-KVTDHHQDSA-N	9444
CTRP.390	PD-153035	PD153035	NULL	NULL	4705
CTRP.391	PD318088	PD318088	NULL	NULL	10231331
CTRP.392	PDMP	PDMP	CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C)C2=CC=CC=C2.Cl	XYHOHWPFEWJKOG-UHFFFAOYSA-N	114736
CTRP.393	PF-184	PF184	NULL	NULL	NULL
CTRP.394	PF-3758309	PF3758309	NULL	NULL	25227462
CTRP.395	PF-4800567-hydrochloride	PF4800567HYDROCHLORIDE	NULL	NULL	71751553
CTRP.396	PF-543	PF543	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1	NULL	66577038
CTRP.397	PF-573228	PF573228	NULL	NULL	11612883
CTRP.398	PF-750	PF750	C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4	BIODYGOZWZNCAG-UHFFFAOYSA-N	25154868
CTRP.399	PHA-793887	PHA793887	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	NULL	46191454
CTRP.4	3-Cl-AHPC	3CLAHPC	NULL	NULL	9866186
CTRP.40	B02	B02	CC1=CC=CC(=C1)C2=CC=C(C=C2)C3CC3C4=CC(=O)N(C(=N4)N)C	STUBOTPNCNDBOA-ROUUACIJSA-N	66545744
CTRP.400	PI-103	PI103	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	9884685
CTRP.401	PIK-93	PIK93	NULL	NULL	6852167
CTRP.402	PL-DI	PLDI	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]	JBBYCBXVYZDRPE-PSXMRANNSA-N	3035652
CTRP.403	PLX-4032	PLX4032	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F	GPXBXXGIAQBQNI-UHFFFAOYSA-N	42611257
CTRP.404	PLX4720	PLX4720	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	24180719
CTRP.405	PRIMA-1-Met	PRIMA1MET	COCC1(C(=O)C2CCN1CC2)CO	BGBNULCRKBVAKL-UHFFFAOYSA-N	52918385
CTRP.406	PRL-3-Inhibitor-I	PRL3INHIBITORI	Brc1ccc(OCc2ccccc2Br)c(/C=C3/SC(=S)NC3=O)c1	NULL	11983303
CTRP.407	PX-12	PX12	CCC(C)SSC1=NC=CN1	BPBPYQWMFCTCNG-UHFFFAOYSA-N	219104
CTRP.408	PYR-41	PYR41	CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2	ARGIPZKQJGFSGQ-LCYFTJDESA-N	5335621
CTRP.409	Pac-1	PAC1	Oc1c(CC=C)cccc1C=NNC(=O)CN2CCN(Cc3ccccc3)CC2	NULL	6851947
CTRP.41	BCL-LZH-4	BCLLZH4	NULL	NULL	NULL
CTRP.410	Paclitaxel	PACLITAXEL	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7	RCINICONZNJXQF-MZXODVADSA-N	36314
CTRP.411	Palmostatin-B	PALMOSTATINB	NULL	NULL	45100481
CTRP.412	Pandacostat	PANDACOSTAT	C1=CC(=CC=C1C=CC(=O)NO)C(=O)NNC=C2C=CC(=O)C(=C2O)O	DQNFQTHSDKXSEE-YWSGDMFXSA-N	44543714
CTRP.413	Panobinostat	PANOBINOSTAT	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N	6918837
CTRP.414	Parbendazole	PARBENDAZOLE	CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	YRWLZFXJFBZBEY-UHFFFAOYSA-N	26596
CTRP.415	Parthenolide	PARTHENOLIDE	CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	5420804
CTRP.416	Pazopanib	PAZOPANIB	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	10113978
CTRP.417	Phloretin	PHLORETIN	CC(=O)C1=C(C=C(C=C1O)OC)O	GKSGTWUNURZTKD-UHFFFAOYSA-N	24135
CTRP.418	Pifithrin-alpha	PIFITHRINALPHA	CC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]	HAGVCKULCLQGRF-UHFFFAOYSA-N	57458948
CTRP.419	Pifithrin-mu	PIFITHRINMU	C1=CC=C(C=C1)C#CS(=O)(=O)N	ZZUZYEMRHCMVTB-UHFFFAOYSA-N	327653
CTRP.42	BEC	BEC	CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	NCUCGYYHUFIYNU-UHFFFAOYSA-N	2225
CTRP.420	Piperlongumine	PIPERLONGUMINE	COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	637858
CTRP.421	Piperlongumine:MST-312	PIPERLONGUMINEMST312	NULL	NULL	NULL
CTRP.422	Pitstop2	PITSTOP2	NULL	NULL	NULL
CTRP.423	Platin	PLATIN	NULL	NULL	23939
CTRP.424	Pluripotin	PLURIPOTIN	NULL	NULL	12003241
CTRP.425	Prima-1	PRIMA1	C1CN2CCC1C(=O)C2(CO)CO	RFBVBRVVOPAAFS-UHFFFAOYSA-N	322968
CTRP.426	Procarbazine	PROCARBAZINE	CNNCc1ccc(cc1)C(=O)NC(C)C	CPTBDICYNRMXFX-UHFFFAOYSA-N	4915
CTRP.427	Prochlorperazine	PROCHLORPERAZINE	CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	WIKYUJGCLQQFNW-UHFFFAOYSA-N	4917
CTRP.428	Purmorphamine	PURMORPHAMINE	C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)OC6=CC=CC7=CC=CC=C76	FYBHCRQFSFYWPY-UHFFFAOYSA-N	5284329
CTRP.429	Pyrazolanthrone	PYRAZOLANTHRONE	C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O	ACPOUJIDANTYHO-UHFFFAOYSA-N	8515
CTRP.43	BI-2536	BI2536	CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	11364421
CTRP.430	QS11	QS11	C1CC2=C(C1)C=C(C=C2)OC3=NC4=C(C(=N3)NC(CC5=CC=CC=C5)CO)N=CN4CC6=CC=C(C=C6)C7=CC=CC=C7	DOKZLKDGUQWMSX-HKBQPEDESA-N	42623900
CTRP.431	QW-BI-011	QWBI011	COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c4ccccc4)nc2c1	NULL	NULL
CTRP.432	Quizartinib	QUIZARTINIB	CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1	NULL	24889392
CTRP.433	R428	R428	NULL	NULL	46215462
CTRP.434	RAF265	RAF265	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	YABJJWZLRMPFSI-UHFFFAOYSA-N	11656518
CTRP.435	RG-108	RG108	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O	HPTXLHAHLXOAKV-UHFFFAOYSA-N	344265
CTRP.436	RITA	RITA	C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO	KZENBFUSKMWCJF-UHFFFAOYSA-N	374536
CTRP.437	RO4929097	RO4929097	NULL	NULL	49867930
CTRP.438	Rapamycin	RAPAMYCIN	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	5284616
CTRP.439	Regorafenib	REGORAFENIB	NULL	NULL	11167602
CTRP.44	BIBR-1532	BIBR1532	CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2	PGFQXGLPJUCTOI-WYMLVPIESA-N	9927531
CTRP.440	Repligen-136	REPLIGEN136	NULL	NULL	NULL
CTRP.441	Rigosertib	RIGOSERTIB	NULL	NULL	6918736
CTRP.442	Ruxolitinib	RUXOLITINIB	N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12	NULL	25126798
CTRP.443	SB-225002	SB225002	C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br	MQBZVUNNWUIPMK-UHFFFAOYSA-N	3854666
CTRP.444	SB-431542	SB431542	NC(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccccn3)c4ccc5OCOc5c4	NULL	4521392
CTRP.445	SB-525334	SB525334	Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C	NULL	9967941
CTRP.446	SB-743921	SB743921	NULL	NULL	9936388
CTRP.447	SCH-529074	SCH529074	CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	NCAJLQDPTZBGJV-UHFFFAOYSA-N	12001922
CTRP.448	SCH-79797	SCH79797	CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl	NNJTXSQXGHYXAJ-UHFFFAOYSA-N	45073452
CTRP.449	SGX-523	SGX523	Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1	NULL	24779724
CTRP.45	BIBW2992	BIBW2992	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	10184653
CTRP.450	SID-26681509	SID26681509	CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C	NULL	16725315
CTRP.451	SJ-172550	SJ172550	CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC	RKKFQJXGAQWHBZ-LICLKQGHSA-N	1317464
CTRP.452	SKI-II	SKIII	C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl	ZFGXZJKLOFCECI-UHFFFAOYSA-N	753704
CTRP.453	SMER-3	SMER3	NULL	NULL	568763
CTRP.454	SN-38	SN38	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	104842
CTRP.455	SNS-032	SNS032	NULL	NULL	3025986
CTRP.456	SNX-2112	SNX2112	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	24772860
CTRP.457	SNX-2112:bortezomib	SNX2112BORTEZOMIB	NULL	NULL	NULL
CTRP.458	SR-II-138A	SRII138A	NULL	NULL	NULL
CTRP.459	SR1001	SR1001	NULL	NULL	44241473
CTRP.46	BIRB-0796	BIRB0796	NULL	NULL	NULL
CTRP.460	SR8278	SR8278	NULL	NULL	53393127
CTRP.461	SRT-1720	SRT1720	O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1	NULL	24180125
CTRP.462	STF-31	STF31	NULL	NULL	984333
CTRP.463	SU11274	SU11274	CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1	NULL	9549297
CTRP.464	SZ4TA2	SZ4TA2	NULL	NULL	11657048
CTRP.465	Salermide	SALERMIDE	CC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)NC=C3C(=O)C=CC4=CC=CC=C43	UADRPWLRVLBVBC-UHFFFAOYSA-N	53393948
CTRP.466	Salermide:PLX-4032	SALERMIDEPLX4032	NULL	NULL	NULL
CTRP.467	Selumetinib:BRD-A02303741	SELUMETINIBBRDA02303741	NULL	NULL	NULL
CTRP.468	Selumetinib:GDC-0941	SELUMETINIBGDC0941	NULL	NULL	NULL
CTRP.469	Selumetinib:JQ-1	SELUMETINIBJQ1	NULL	NULL	NULL
CTRP.47	BIX-01294	BIX01294	CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC	OSXFATOLZGZLSK-UHFFFAOYSA-N	25150857
CTRP.470	Selumetinib:MK-2206	SELUMETINIBMK2206	NULL	NULL	NULL
CTRP.471	Selumetinib:PLX-4032	SELUMETINIBPLX4032	NULL	NULL	NULL
CTRP.472	Selumetinib:UNC0638	SELUMETINIBUNC0638	NULL	NULL	NULL
CTRP.473	Selumetinib:decitabine	SELUMETINIBDECITABINE	NULL	NULL	NULL
CTRP.474	Selumetinib:navitoclax	SELUMETINIBNAVITOCLAX	NULL	NULL	NULL
CTRP.475	Selumetinib:piperlongumine	SELUMETINIBPIPERLONGUMINE	NULL	NULL	NULL
CTRP.476	Selumetinib:tretinoin	SELUMETINIBTRETINOIN	NULL	NULL	NULL
CTRP.477	Selumetinib:vorinostat	SELUMETINIBVORINOSTAT	NULL	NULL	NULL
CTRP.478	Semagacestat	SEMAGACESTAT	NULL	NULL	9843750
CTRP.479	Serdemetan:SCH-529074	SERDEMETANSCH529074	NULL	NULL	NULL
CTRP.48	BMS-195614	BMS195614	NULL	NULL	445091
CTRP.480	Sildenafil	SILDENAFIL	CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C	BNRNXUUZRGQAQC-UHFFFAOYSA-N	5212
CTRP.481	Silmitasertib	SILMITASERTIB	NULL	NULL	24748573
CTRP.482	Simvastatin	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	RYMZZMVNJRMUDD-HGQWONQESA-N	54454
CTRP.483	Sirolimus:bortezomib	SIROLIMUSBORTEZOMIB	NULL	NULL	NULL
CTRP.484	Sitagliptin	SITAGLIPTIN	N[C@@H](CC(=O)N1CCn2c(nnc2C1)C(F)(F)F)Cc3cc(F)c(F)cc3F	NULL	4369359
CTRP.485	Skepinone-L	SKEPINONEL	NULL	NULL	45279963
CTRP.486	Sorafenib	SORAFENIB	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	216239
CTRP.487	Sotrastaurin	SOTRASTAURIN	NULL	NULL	10296883
CTRP.488	Spautin-1	SPAUTIN1	NULL	NULL	51037431
CTRP.489	Staurosporine	STAUROSPORINE	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35	HKSZLNNOFSGOKW-FYTWVXJKSA-N	44259
CTRP.49	BMS-270394	BMS270394	NULL	NULL	445455
CTRP.490	StemRegenin-1	STEMREGENIN1	NULL	NULL	46199207
CTRP.491	Sunitinib	SUNITINIB	CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	5329102
CTRP.492	TAE684	TAE684	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	16038120
CTRP.493	TG-100-115	TG100115	Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1	NULL	10427712
CTRP.494	TG-101348	TG101348	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	16722836
CTRP.495	TGX221	TGX221	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	9907093
CTRP.496	TPCA-1	TPCA1	NC(=O)Nc1sc(cc1C(=O)N)c2ccc(F)cc2	NULL	9903786
CTRP.497	TW-37	TW37	CC(C)C1=CC=CC=C1CC2=C(C(=C(C(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C)O)O)O	PQAPVTKIEGUPRN-UHFFFAOYSA-N	11455910
CTRP.498	Tacedinaline	TACEDINALINE	CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N	NULL	2746
CTRP.499	Tacrolimus	TACROLIMUS	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	QJJXYPPXXYFBGM-LFZNUXCKSA-N	445643
CTRP.5	5-FU	5FU	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	3385
CTRP.50	BMS-345541	BMS345541	Cc1cnc2c(NCCN)nc3ccc(C)cc3n12	NULL	9926054
CTRP.500	Tamatinib	TAMATINIB	CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C	NHHQJBCNYHBUSI-UHFFFAOYSA-N	11213558
CTRP.501	Tamoxifen	TAMOXIFEN	[H+].[H+].[H+].CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O	FQZYTYWMLGAPFJ-OQKDUQJOSA-N	25010734
CTRP.502	Tandutinib	TANDUTINIB	COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5	NULL	3038522
CTRP.503	Tanespimycin:bortezomib	TANESPIMYCINBORTEZOMIB	NULL	NULL	NULL
CTRP.504	Tanespimycin:gemcitabine	TANESPIMYCINGEMCITABINE	NULL	NULL	NULL
CTRP.505	Temozolomide	TEMOZOLOMIDE	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	5394
CTRP.506	Temsirolimus	TEMSIROLIMUS	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	6918289
CTRP.507	Teniposide	TENIPOSIDE	COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N	452548
CTRP.508	Thalidomide	THALIDOMIDE	O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13	UEJJHQNACJXSKW-UHFFFAOYSA-N	5426
CTRP.509	Tigecycline	TIGECYCLINE	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C	NULL	54686904
CTRP.51	BMS-536924	BMS536924	CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5	UGQMURPIMYALPH-PZJQAWQVSA-N	10390396
CTRP.510	Tipifarnib	TIPIFARNIB	Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1	NULL	159324
CTRP.511	Tivantinib	TIVANTINIB	O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23	NULL	11494412
CTRP.512	Tivozanib	TIVOZANIB	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	9911830
CTRP.513	Topotecan	TOPOTECAN	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)[NH+]=C5C=CC(=C(C5=C4)CN(C)C)O)O.[Cl-]	DGHHQBMTXTWTJV-BQAIUKQQSA-N	11972519
CTRP.514	Tosedostat	TOSEDOSTAT	CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2	FWFGIHPGRQZWIW-SQNIBIBYSA-N	15547703
CTRP.515	Tretinoin:carboplatin	TRETINOINCARBOPLATIN	NULL	NULL	NULL
CTRP.516	Tretinoin:navitoclax	TRETINOINNAVITOCLAX	NULL	NULL	NULL
CTRP.517	Triazolothiadiazine	TRIAZOLOTHIADIAZINE	NULL	NULL	NULL
CTRP.518	Trifluoperazine	TRIFLUOPERAZINE	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F	ZEWQUBUPAILYHI-UHFFFAOYSA-N	5566
CTRP.519	Triptolide	TRIPTOLIDE	CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C	DFBIRQPKNDILPW-CIVMWXNOSA-N	107985
CTRP.52	BMS-754807	BMS754807	CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	24785538
CTRP.520	Tubastatin-A	TUBASTATINA	CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO	NULL	49850262
CTRP.521	UNC0321	UNC0321	CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN(C)C	AULLUGALUBVBDD-UHFFFAOYSA-N	46901937
CTRP.522	UNC0638	UNC0638	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	46224516
CTRP.523	UNC0638:navitoclax	UNC0638NAVITOCLAX	NULL	NULL	NULL
CTRP.524	VAF-347	VAF347	NULL	NULL	NULL
CTRP.525	VER-155008	VER155008	C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N	ZXGGCBQORXDVTE-UMCMBGNQSA-N	25195348
CTRP.526	VU0155056	VU0155056	NULL	NULL	NULL
CTRP.527	VX-680	VX680	CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5	GCIKSSRWRFVXBI-UHFFFAOYSA-N	5494449
CTRP.528	Valdecoxib	VALDECOXIB	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N	LNPDTQAFDNKSHK-UHFFFAOYSA-N	119607
CTRP.529	Vandetanib	VANDETANIB	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N	3081361
CTRP.53	BRD-A02303741	BRDA02303741	NULL	NULL	NULL
CTRP.530	Vincristine	VINCRISTINE	CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C86CCN9CC=CC(CC)(C98)C(C(=O)OC)C7(O)C(=O)OC	NULL	5978
CTRP.531	Vorapaxar	VORAPAXAR	NULL	NULL	10077130
CTRP.532	Vorinostat	VORINOSTAT	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	5311
CTRP.533	Vorinostat:carboplatin	VORINOSTATCARBOPLATIN	NULL	NULL	NULL
CTRP.534	Vorinostat:navitoclax	VORINOSTATNAVITOCLAX	NULL	NULL	NULL
CTRP.535	WAY-362450	WAY362450	NULL	NULL	10026128
CTRP.536	WP1130	WP1130	NULL	NULL	11222830
CTRP.537	WZ4002	WZ4002	COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1	NULL	44607530
CTRP.538	WZ8040	WZ8040	NULL	NULL	44607531
CTRP.539	XL765	XL765	NULL	NULL	49867926
CTRP.54	BRD-A02303741:carboplatin	BRDA02303741CARBOPLATIN	NULL	NULL	NULL
CTRP.540	YK-4-279	YK4279	COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl	NULL	NULL
CTRP.541	YL54	YL54	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCCC=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	NULL	NULL
CTRP.542	YM-155	YM155	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	11178236
CTRP.543	ZSTK474	ZSTK474	FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1	NULL	11647372
CTRP.544	Zebularine	ZEBULARINE	C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O	RPQZTTQVRYEKCR-JXMHAVLCSA-N	16760709
CTRP.55	BRD-A02303741:navitoclax	BRDA02303741NAVITOCLAX	NULL	NULL	NULL
CTRP.56	BRD-A05715709	BRDA05715709	NULL	NULL	NULL
CTRP.57	BRD-A71883111	BRDA71883111	NULL	NULL	NULL
CTRP.58	BRD-A86708339	BRDA86708339	NULL	NULL	NULL
CTRP.59	BRD-A94377914	BRDA94377914	NULL	NULL	NULL
CTRP.6	968	968	NULL	NULL	NULL
CTRP.60	BRD-K01737880	BRDK01737880	COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1	NULL	NULL
CTRP.61	BRD-K02251932	BRDK02251932	NULL	NULL	NULL
CTRP.62	BRD-K02492147	BRDK02492147	CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1	NULL	NULL
CTRP.63	BRD-K03536150	BRDK03536150	NULL	NULL	NULL
CTRP.64	BRD-K03911514	BRDK03911514	NULL	NULL	NULL
CTRP.65	BRD-K04800985	BRDK04800985	NULL	NULL	NULL
CTRP.66	BRD-K07442505	BRDK07442505	NULL	NULL	NULL
CTRP.67	BRD-K09344309	BRDK09344309	NULL	NULL	NULL
CTRP.68	BRD-K09587429	BRDK09587429	NULL	NULL	NULL
CTRP.69	BRD-K11533227	BRDK11533227	-666	NULL	NULL
CTRP.7	A-804598	A804598	NULL	NULL	53325874
CTRP.70	BRD-K13185470	BRDK13185470	NULL	NULL	NULL
CTRP.71	BRD-K13999467	BRDK13999467	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc3cc(C#Cc4ccccc4F)ccc3S1(=O)=O	NULL	NULL
CTRP.72	BRD-K14844214	BRDK14844214	CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1	NULL	NULL
CTRP.73	BRD-K16130065	BRDK16130065	NULL	NULL	NULL
CTRP.74	BRD-K16147474	BRDK16147474	NULL	NULL	NULL
CTRP.75	BRD-K17060750	BRDK17060750	NULL	NULL	NULL
CTRP.76	BRD-K19103580	BRDK19103580	NULL	NULL	NULL
CTRP.77	BRD-K20514654	BRDK20514654	NULL	NULL	NULL
CTRP.78	BRD-K24690302	BRDK24690302	NULL	NULL	NULL
CTRP.79	BRD-K26531177	BRDK26531177	NULL	NULL	NULL
CTRP.8	AA-COCF3	AACOCF3	CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F	PLWROONZUDKYKG-DOFZRALJSA-N	5280436
CTRP.80	BRD-K27188169	BRDK27188169	NULL	NULL	NULL
CTRP.81	BRD-K27188169:navitoclax	BRDK27188169NAVITOCLAX	NULL	NULL	NULL
CTRP.82	BRD-K27224038	BRDK27224038	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc3ncc(C#CC4(O)CCCC4)cc3C1=O	NULL	NULL
CTRP.83	BRD-K27986637	BRDK27986637	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc4cn(CCCC1=O)nn4	NULL	NULL
CTRP.84	BRD-K28456706	BRDK28456706	NULL	NULL	NULL
CTRP.85	BRD-K29086754	BRDK29086754	NULL	NULL	NULL
CTRP.86	BRD-K29313308	BRDK29313308	NULL	NULL	NULL
CTRP.87	BRD-K30019337	BRDK30019337	NULL	NULL	NULL
CTRP.88	BRD-K30748066	BRDK30748066	NULL	NULL	NULL
CTRP.89	BRD-K33199242	BRDK33199242	NULL	NULL	NULL
CTRP.9	ABT-199	ABT199	NULL	NULL	49846579
CTRP.90	BRD-K33514849	BRDK33514849	C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O	NULL	NULL
CTRP.91	BRD-K34099515	BRDK34099515	NULL	NULL	NULL
CTRP.92	BRD-K34222889	BRDK34222889	NULL	NULL	NULL
CTRP.93	BRD-K34485477	BRDK34485477	NULL	NULL	NULL
CTRP.94	BRD-K35604418	BRDK35604418	NULL	NULL	NULL
CTRP.95	BRD-K37390332	BRDK37390332	NULL	NULL	NULL
CTRP.96	BRD-K41334119	BRDK41334119	NULL	NULL	NULL
CTRP.97	BRD-K41597374	BRDK41597374	NULL	NULL	NULL
CTRP.98	BRD-K42260513	BRDK42260513	NULL	NULL	NULL
CTRP.99	BRD-K44224150	BRDK44224150	NULL	NULL	NULL
GDSC.1	Erlotinib	ERLOTINIB	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N	176871
GDSC.1001	AICA Ribonucleotide	AICARIBONUCLEOTIDE	C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N	RTRQQBHATOEIAF-UUOKFMHZSA-N	17513
GDSC.1003	Camptothecin	CAMPTOTHECIN	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	24360
GDSC.1004	Vinblastine	VINBLASTINE	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	KDQAABAKXDWYSZ-JKDPCDLQSA-N	241902
GDSC.1005	Cisplatin	CISPLATIN	[NH2-].[NH2-].Cl[Pt+2]Cl	DQLATGHUWYMOKM-UHFFFAOYSA-L	24191118
GDSC.1006	Cytarabine	CYTARABINE	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl	KCURWTAZOZXKSJ-UHFFFAOYSA-N	5351180
GDSC.1007	Docetaxel	DOCETAXEL	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	148124
GDSC.1008	Methotrexate	METHOTREXATE	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N	126941
GDSC.1009	Tretinoin	TRETINOIN	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	SHGAZHPCJJPHSC-YCNIQYBTSA-N	444795
GDSC.1010	Gefitinib	GEFITINIB	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N	123631
GDSC.1011	Navitoclax	NAVITOCLAX	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N	24978538
GDSC.1012	Vorinostat	VORINOSTAT	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	5311
GDSC.1013	Nilotinib	NILOTINIB	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N	644241
GDSC.1014	Refametinib	REFAMETINIB	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	44182295
GDSC.1015	CI-1040	CI1040	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	GFMMXOIFOQCCGU-UHFFFAOYSA-N	6918454
GDSC.1016	Temsirolimus	TEMSIROLIMUS	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N	6918289
GDSC.1017	Olaparib	OLAPARIB	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	23725625
GDSC.1018	Veliparib	VELIPARIB	CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N	JNAHVYVRKWKWKQ-CYBMUJFWSA-N	11960529
GDSC.1019	Bosutinib	BOSUTINIB	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N	5328940
GDSC.1020	Lenalidomide	LENALIDOMIDE	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	216326
GDSC.1021	Axitinib	AXITINIB	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N	6450551
GDSC.1022	AZD7762	AZD7762	C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N	11152667
GDSC.1023	GW441756	GW441756	Cn1cc(C=C2C(=O)Nc3cccnc23)c4ccccc14	NULL	9943465
GDSC.1024	Lestauritinib	LESTAURITINIB	NULL	NULL	126565
GDSC.1025	SB216763	SB216763	Cn1cc(C2=C(C(=O)NC2=O)c3ccc(Cl)cc3Cl)c4ccccc14	NULL	176158
GDSC.1026	Tanespimycin	TANESPIMYCIN	CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC	AYUNIORJHRXIBJ-TXHRRWQRSA-N	6505803
GDSC.1028	VX-702	VX702	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	FYSRKRZDBHOFAY-UHFFFAOYSA-N	10341154
GDSC.1029	Motesanib	MOTESANIB	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	RAHBGWKEPAQNFF-UHFFFAOYSA-N	11667893
GDSC.1030	KU-55933	KU55933	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N	5278396
GDSC.1031	Elesclomol	ELESCLOMOL	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N	300471
GDSC.1032	Afatinib	AFATINIB	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	10184653
GDSC.1033	Vismodegib	VISMODEGIB	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N	24776445
GDSC.1036	PLX-4720	PLX4720	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	24180719
GDSC.1038	NU7441	NU7441	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	JAMULYFATHSZJM-UHFFFAOYSA-N	11327430
GDSC.1039	SL0101	SL0101	NULL	NULL	46782929
GDSC.104	Bortezomib	BORTEZOMIB	B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	387447
GDSC.1043	JNK Inhibitor VIII	JNKINHIBITORVIII	NULL	NULL	11624601
GDSC.1046	681640	681640	NULL	NULL	10384072
GDSC.1047	Nutlin-3a (-)	NUTLIN3A	NULL	NULL	11433190
GDSC.1049	PD173074	PD173074	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	DXCUKNQANPLTEJ-UHFFFAOYSA-N	1401
GDSC.1050	ZM447439	ZM447439	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	OGNYUTNQZVRGMN-UHFFFAOYSA-N	9914412
GDSC.1052	RO-3306	RO3306	C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1	XOLMRFUGOINFDQ-UHFFFAOYSA-N	71433937
GDSC.1053	MK-2206	MK2206	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl	HWUHTJIKQZZBRA-UHFFFAOYSA-N	46930998
GDSC.1054	Palbociclib	PALBOCICLIB	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N	5330286
GDSC.1057	Dactolisib	DACTOLISIB	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	11977753
GDSC.1058	Pictilisib	PICTILISIB	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	17755052
GDSC.1059	AZD8055	AZD8055	CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOCC5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N	25262965
GDSC.106	XMD8-85	XMD885	COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1	NULL	46844147
GDSC.1060	PD0325901	PD0325901	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O	SUDAHWBOROXANE-SECBINFHSA-N	9826528
GDSC.1061	SB590885	SB590885	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	DPCXEUSDRQOOGZ-QLYXXIJNSA-N	11316960
GDSC.1062	Selumetinib	SELUMETINIB	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	10127622
GDSC.1066	AZD6482	AZD6482	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	44137675
GDSC.1067	CCT007093	CCT007093	C1CC(=CC2=CC=CS2)C(=O)C1=CC3=CC=CS3	KPFZCKDPBMGECB-WGDLNXRISA-N	2314623
GDSC.1069	EHT-1864	EHT1864	NULL	NULL	9938202
GDSC.1072	Avagacestat	AVAGACESTAT	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	46883536
GDSC.1091	BMS-536924	BMS536924	CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5	UGQMURPIMYALPH-PZJQAWQVSA-N	10390396
GDSC.11	Paclitaxel	PACLITAXEL	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7	RCINICONZNJXQF-MZXODVADSA-N	36314
GDSC.110	Seliciclib	SELICICLIB	CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	160355
GDSC.111	Salubrinal	SALUBRINAL	C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	LCOIAYJMPKXARU-VAWYXSNFSA-N	5717801
GDSC.1114	Cetuximab	CETUXIMAB	NULL	NULL	85668777
GDSC.1129	PF-4708671	PF4708671	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	FBLPQCAQRNSVHB-UHFFFAOYSA-N	51371303
GDSC.1133	Serdemetan	SERDEMETAN	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	CEGSUKYESLWKJP-UHFFFAOYSA-N	11609586
GDSC.1142	HG-5-113-01	HG511301	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=NC=C(C=C4)C(=O)NC	INAFQGYNNQIERK-UHFFFAOYSA-N	25226483
GDSC.1143	HG-5-88-01	HG58801	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC	IMEGLYUXMGWVQA-UHFFFAOYSA-N	25226117
GDSC.1149	TW 37	TW37	CC(C)C1=CC=CC=C1CC2=C(C(=C(C(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C)O)O)O	PQAPVTKIEGUPRN-UHFFFAOYSA-N	11455910
GDSC.1158	XMD11-85h	XMD1185H	CC(C)N1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C)OC)C5CCCC5	VIJIVCXRKDRGGA-UHFFFAOYSA-N	42628535
GDSC.1161	ZG-10	ZG10	CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	VZEONOGFXYTZGT-WEVVVXLNSA-N	57340680
GDSC.1164	XMD8-92	XMD892	CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1	NULL	46843772
GDSC.1166	QL-VIII-58	QLVIII58	NULL	NULL	NULL
GDSC.1170	CCT-018159	CCT018159	CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1O	BBTMGPQSLSYPHE-ZHZULCJRSA-N	5327091
GDSC.1175	Rucaparib	RUCAPARIB	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F.OP(=O)(O)O	FCCGJTKEKXUBFZ-UHFFFAOYSA-N	9931953
GDSC.119	Lapatinib	LAPATINIB	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	208908
GDSC.1192	GSK269962A	GSK269962A	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	16095342
GDSC.1194	SB-505124	SB505124	NULL	NULL	9858940
GDSC.1199	Tamoxifen	TAMOXIFEN	[H+].[H+].[H+].CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O	FQZYTYWMLGAPFJ-OQKDUQJOSA-N	25010734
GDSC.1203	QL-XII-61	QLXII61	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C	SFMJNHNUOVADRW-UHFFFAOYSA-N	71576693
GDSC.1218	JQ1	JQ1	CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DOXYOPGGFSMXOX-GOSISDBHSA-N	71300862
GDSC.1219	PFI-1	PFI1	NULL	NULL	71271629
GDSC.1230	IOX2	IOX2	NULL	NULL	54685215
GDSC.1236	UNC0638	UNC0638	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	46224516
GDSC.1239	YK-4-279	YK4279	COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl	NULL	44632017
GDSC.1241	CHIR-99021	CHIR99021	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	9956119
GDSC.1242	(5Z)-7-Oxozeaenol	5Z7OXOZEAENOL	NULL	NULL	9863776
GDSC.1243	Piperlongumine	PIPERLONGUMINE	COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O	VABYUUZNAVQNPG-BQYQJAHWSA-N	637858
GDSC.1248	Daporinad	DAPORINAD	C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	6914657
GDSC.1259	Talazoparib	TALAZOPARIB	NULL	NULL	44819241
GDSC.1261	rTRAIL	RTRAIL	NULL	NULL	NULL
GDSC.1262	UNC1215	UNC1215	NULL	NULL	57339144
GDSC.1264	SGC0946	SGC0946	NULL	NULL	56962337
GDSC.1268	XAV939	XAV939	C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F	KLGQSVMIPOVQAX-UHFFFAOYSA-N	2726824
GDSC.127	GSK269962A	GSK269962A	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N	16095342
GDSC.133	Doxorubicin	DOXORUBICIN	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBJBKNOSA-N	32874
GDSC.134	Etoposide	ETOPOSIDE	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26	VJJPUSNTGOMMGY-MRVIYFEKSA-N	36462
GDSC.135	Gemcitabine	GEMCITABINE	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl	OKKDEIYWILRZIA-UHFFFAOYSA-N	356653
GDSC.136	Mitomycin-C	MITOMYCINC	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N	5746
GDSC.1371	PLX-4720	PLX4720	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F	YZDJQTHVDDOVHR-UHFFFAOYSA-N	24180719
GDSC.1372	Trametinib	TRAMETINIB	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	11707110
GDSC.1373	Dabrafenib	DABRAFENIB	CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F	NULL	44462760
GDSC.1375	Temozolomide	TEMOZOLOMIDE	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N	5394
GDSC.1377	Afatinib	AFATINIB	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	10184653
GDSC.1378	Bleomycin (50 uM)	BLEOMYCIN50UM	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	WUIABRMSWOKTOF-NUAMMRKQSA-N	54608728
GDSC.140	Vinorelbine	VINORELBINE	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O	UUHYRRXICWUZHW-RPZOAHRESA-N	25136944
GDSC.147	NSC-87877	NSC87877	C1=CC2=C(C(=O)C(=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C=C2S(=O)(=O)O)N=C1	BIQBDHSYQMHHPU-CJLVFECKSA-N	5459322
GDSC.1494	SN-38	SN38	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N	104842
GDSC.1495	Olaparib	OLAPARIB	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	23725625
GDSC.1498	Selumetinib	SELUMETINIB	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	CYOHGALHFOKKQC-UHFFFAOYSA-N	10127622
GDSC.150	Bicalutamide	BICALUTAMIDE	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	2375
GDSC.1502	Bicalutamide	BICALUTAMIDE	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N	2375
GDSC.151	QS11	QS11	C1CC2=C(C1)C=C(C=C2)OC3=NC4=C(C(=N3)NC(CC5=CC=CC=C5)CO)N=CN4CC6=CC=C(C=C6)C7=CC=CC=C7	DOKZLKDGUQWMSX-HKBQPEDESA-N	42623900
GDSC.152	CP466722	CP466722	COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC	NULL	44551660
GDSC.1526	Refametinib	REFAMETINIB	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-NSHDSACASA-N	44182295
GDSC.1527	Pictilisib	PICTILISIB	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	17755052
GDSC.1529	Pevonedistat	PEVONEDISTAT	C1CC2=CC=CC=C2C1NC3=NC=NC4=C3C=CN4C5CC(C(C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-ZIODWWTISA-N	71729979
GDSC.153	Midostaurin	MIDOSTAURIN	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-PZFYLCKJSA-N	24202429
GDSC.154	CHIR-99021	CHIR99021	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	9956119
GDSC.155	Ponatinib	PONATINIB	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N	24826799
GDSC.156	AZD6482	AZD6482	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	IRTDIKMSKMREGO-OAHLLOKOSA-N	44137675
GDSC.157	JNK-9L	JNK9L	N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1)N1CCOCC1	NULL	25222038
GDSC.158	PF-562271	PF562271	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N	11713159
GDSC.159	HG6-64-1	HG6641	NULL	NULL	53302361
GDSC.163	JQ1	JQ1	CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	DOXYOPGGFSMXOX-GOSISDBHSA-N	71300862
GDSC.164	JQ12	JQ12	NULL	NULL	NULL
GDSC.165	DMOG	DMOG	COC(=O)CNC(=O)C(=O)OC	BNJOZDZCRHCODO-UHFFFAOYSA-N	560326
GDSC.166	FTI-277	FTI277	COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2	GKFPROVOIQKYTO-UZLBHIALSA-N	3005532
GDSC.167	OSU-03012	OSU03012	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N	10027278
GDSC.17	Cyclopamine	CYCLOPAMINE	CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N	442972
GDSC.170	Shikonin	SHIKONIN	NULL	NULL	479503
GDSC.171	AKT inhibitor VIII	AKTINHIBITORVIII	NULL	NULL	10196499
GDSC.172	Embelin	EMBELIN	CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O	NULL	3218
GDSC.173	FH535	FH535	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N	3463933
GDSC.175	PAC-1	PAC1	Oc1c(CC=C)cccc1C=NNC(=O)CN2CCN(Cc3ccccc3)CC2	NULL	6851947
GDSC.176	IPA-3	IPA3	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	RFAXLXKIAKIUDT-UHFFFAOYSA-N	521106
GDSC.177	GSK650394	GSK650394	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=NC=C(C=C34)C5=CC=CC=C5)C(=O)O	WVSBGSNVCDAMCF-UHFFFAOYSA-N	25022668
GDSC.178	BAY-61-3606	BAY613606	NULL	NULL	10200390
GDSC.179	5-Fluorouracil	5FLUOROURACIL	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N	3385
GDSC.180	Thapsigargin	THAPSIGARGIN	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=CC)/C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C	IXFPJGBNCFXKPI-FSIHEZPISA-N	446378
GDSC.182	Obatoclax Mesylate	OBATOCLAXMESYLATE	NULL	NULL	16681698
GDSC.184	BMS-754807	BMS754807	CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N	24785538
GDSC.185	Linsitinib	LINSITINIB	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N	11640390
GDSC.186	Bexarotene	BEXAROTENE	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	NAVMQTYZDKMPEU-UHFFFAOYSA-N	82146
GDSC.190	Bleomycin	BLEOMYCIN	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	WUIABRMSWOKTOF-NUAMMRKQSA-N	54608728
GDSC.192	LFM-A13	LFMA13	CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O	UVSVTDVJQAJIFG-VURMDHGXSA-N	54676905
GDSC.193	GW-2580	GW2580	NULL	NULL	11617559
GDSC.194	Luminespib	LUMINESPIB	CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)C3=CC=C(C=C3)CN4CCOCC4	SWDZPNJZKUGIIH-QQTULTPQSA-N	10096043
GDSC.196	Phenformin	PHENFORMIN	NC(=N)NC(=N)NCCc1ccccc1	ICFJFFQQTFMIBG-UHFFFAOYSA-N	8249
GDSC.197	Bryostatin 1	BRYOSTATIN1	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N	5477635
GDSC.199	Pazopanib	PAZOPANIB	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N	10113978
GDSC.200	Dacinostat	DACINOSTAT	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO	BWDQBBCUWLSASG-MDZDMXLPSA-N	6445533
GDSC.201	Epothilone B	EPOTHILONEB	NULL	NULL	448013
GDSC.202	GSK1904529A	GSK1904529A	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N	25124816
GDSC.203	BMS-345541	BMS345541	Cc1cnc2c(NCCN)nc3ccc(C)cc3n12	NULL	9926054
GDSC.204	Tipifarnib	TIPIFARNIB	Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1	NULL	159324
GDSC.205	Avagacestat	AVAGACESTAT	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N	46883536
GDSC.206	Ruxolitinib	RUXOLITINIB	N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12	NULL	25126798
GDSC.207	AS601245	AS601245	C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4)S2	AVLYNJZZQYEFEA-XDJHFCHBSA-N	11422035
GDSC.208	Ispinesib Mesylate	ISPINESIBMESYLATE	NULL	NULL	6450816
GDSC.211	TL-2-105	TL2105	NULL	NULL	NULL
GDSC.219	AT-7519	AT7519	Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1	NULL	11338033
GDSC.221	TAK-715	TAK715	CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1	NULL	9952773
GDSC.222	BX-912	BX912	Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4	NULL	11754511
GDSC.223	ZSTK474	ZSTK474	FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1	NULL	11647372
GDSC.224	AS605240	AS605240	O=C1NC(=O)C(S1)=C/c1ccc2nccnc2c1	NULL	5289247
GDSC.225	Genentech Cpd 10	GENENTECHCPD10	NULL	NULL	NULL
GDSC.226	GSK1070916	GSK1070916	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC(=CC=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N	46885626
GDSC.228	AKT inhibitor VIII	AKTINHIBITORVIII	NULL	NULL	10196499
GDSC.229	Enzastaurin	ENZASTAURIN	NULL	NULL	176167
GDSC.230	GSK429286A	GSK429286A	CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F	NULL	11373846
GDSC.231	FMK	FMK	NULL	NULL	644243
GDSC.235	QL-XII-47	QLXII47	CN1C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC6=C(CCN6C(=O)C=C)C=C5	RTRNJQOBEOISFQ-UHFFFAOYSA-N	71748056
GDSC.238	Idelalisib	IDELALISIB	NULL	NULL	11625818
GDSC.245	UNC0638	UNC0638	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N	46224516
GDSC.249	Cabozantinib	CABOZANTINIB	NULL	NULL	25102847
GDSC.252	WZ3105	WZ3105	CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C=C)NC4CCC(CC4)N(C)C	DGEBYERMQBTMHV-UHFFFAOYSA-N	42628507
GDSC.253	XMD14-99	XMD1499	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=C(C=CC=C4Cl)Cl)N)OC	UISRWLSAXIOCND-UHFFFAOYSA-N	73265211
GDSC.254	Quizartinib	QUIZARTINIB	CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1	NULL	24889392
GDSC.255	CP724714	CP724714	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	NULL	9874913
GDSC.256	JW-7-24-1	JW7241	COC1=CC(=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F)OC	VVTHOUCIAGHQBD-UHFFFAOYSA-N	69923936
GDSC.257	NPK76-II-72-1	NPK76II721	CC1CC(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	KZLQLABUFJNPSZ-UHFFFAOYSA-N	NULL
GDSC.258	STF-62247	STF62247	Cc1cccc(Nc2nc(cs2)c3ccncc3)c1	NULL	704473
GDSC.260	NG-25	NG25	NULL	NULL	53340664
GDSC.261	TL-1-85	TL185	NULL	NULL	NULL
GDSC.262	VX-11e	VX11E	NULL	NULL	11634725
GDSC.263	FR-180204	FR180204	Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1	NULL	11493598
GDSC.265	Tubastatin A	TUBASTATINA	CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO	NULL	49850262
GDSC.266	Zibotentan	ZIBOTENTAN	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1	NULL	9910224
GDSC.268	Sepantronium bromide	SEPANTRONIUMBROMIDE	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]	QBIYUDDJPRGKNJ-UHFFFAOYSA-M	11178236
GDSC.269	NSC-207895	NSC207895	NULL	NULL	42640
GDSC.271	VNLG/124	VNLG124	NULL	NULL	24894414
GDSC.272	AR-42	AR42	NULL	NULL	6918848
GDSC.273	CUDC-101	CUDC101	NULL	NULL	24756910
GDSC.274	Belinostat	BELINOSTAT	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N	6918638
GDSC.275	I-BET-762	IBET762	NULL	NULL	46943432
GDSC.276	CAY10603	CAY10603	NULL	NULL	24951314
GDSC.277	Linifanib	LINIFANIB	Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1	NULL	11485656
GDSC.279	BIX02189	BIX02189	CN(C)Cc1cccc(NC(c2ccccc2)=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c1	NULL	46931012
GDSC.281	Alectinib	ALECTINIB	NULL	NULL	49806720
GDSC.282	Pelitinib	PELITINIB	NULL	NULL	6445562
GDSC.283	Omipalisib	OMIPALISIB	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	CGBJSGAELGCMKE-UHFFFAOYSA-N	25167777
GDSC.286	KIN001-236	KIN001236	NULL	NULL	NULL
GDSC.287	KIN001-244	KIN001244	Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F	NULL	56965967
GDSC.288	WHI-P97	WHIP97	COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC	NULL	3796
GDSC.29	AZ628	AZ628	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	11676786
GDSC.290	KIN001-260	KIN001260	NULL	NULL	10451420
GDSC.291	KIN001-266	KIN001266	CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1	NULL	44143370
GDSC.292	Masitinib	MASITINIB	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1	NULL	10074640
GDSC.293	Amuvatinib	AMUVATINIB	NULL	NULL	11282283
GDSC.294	MPS-1-IN-1	MPS1IN1	NULL	NULL	25195352
GDSC.295	NVP-BHG712	NVPBHG712	NULL	NULL	16747388
GDSC.298	OSI-930	OSI930	FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1	NULL	9868037
GDSC.299	OSI-027	OSI027	COc1cccc2cc([nH]c12)-c1nc([C@@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12	NULL	44224160
GDSC.3	Rapamycin	RAPAMYCIN	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	5284616
GDSC.30	Sorafenib	SORAFENIB	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N	216239
GDSC.300	CX-5461	CX5461	NULL	NULL	25257557
GDSC.301	PHA-793887	PHA793887	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	NULL	46191454
GDSC.302	PI-103	PI103	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N	9884685
GDSC.303	PIK-93	PIK93	NULL	NULL	6852167
GDSC.304	SB52334	SB52334	NULL	NULL	9967941
GDSC.305	TPCA-1	TPCA1	NC(=O)Nc1sc(cc1C(=O)N)c2ccc(F)cc2	NULL	9903786
GDSC.306	Fedratinib	FEDRATINIB	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N	16722836
GDSC.309	Y-39983	Y39983	C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12	NULL	9810884
GDSC.310	YM201636	YM201636	Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1	NULL	9956222
GDSC.312	Tivozanib	TIVOZANIB	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N	9911830
GDSC.32	Tozasertib	TOZASERTIB	CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5	GCIKSSRWRFVXBI-UHFFFAOYSA-N	5494449
GDSC.326	GSK690693	GSK690693	CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N	16725726
GDSC.328	SNX-2112	SNX2112	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C	ZFVRYNYOPQZKDG-UHFFFAOYSA-N	24772860
GDSC.329	QL-XI-92	QLXI92	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)NC(=O)C=C)NC(=O)C3=CC=NO3	UASQUKUDXJFTCO-UHFFFAOYSA-N	73265214
GDSC.330	XMD13-2	XMD132	C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC(=CC=C4)C(=O)NC5CC5	WBLZCNIEEVRRTG-UHFFFAOYSA-N	68234129
GDSC.331	QL-X-138	QLX138	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	JMVDIGHUQAXWIE-UHFFFAOYSA-N	73707530
GDSC.332	XMD15-27	XMD1527	NULL	NULL	NULL
GDSC.333	T0901317	T0901317	OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F	NULL	447912
GDSC.34	Imatinib	IMATINIB	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N	5291
GDSC.341	Selisistat	SELISISTAT	C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N	FUZYTVDVLBBXDL-UHFFFAOYSA-N	5113032
GDSC.344	THZ-2-49	THZ249	NULL	NULL	NULL
GDSC.345	KIN001-270	KIN001270	NULL	NULL	66577006
GDSC.346	THZ-2-102-1	THZ21021	NULL	NULL	NULL
GDSC.35	NVP-TAE684	NVPTAE684	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N	16038120
GDSC.37	Crizotinib	CRIZOTINIB	CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	SCJHEFQWKWHQTO-GFCCVEGCSA-N	54613769
GDSC.38	Saracatinib	SARACATINIB	CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6	OUKYUETWWIPKQR-UHFFFAOYSA-N	10302451
GDSC.41	S-Trityl-L-cysteine	STRITYLLCYSTEINE	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)[O-])[NH3+]	DLMYFMLKORXJPO-FQEVSTJZSA-N	7058066
GDSC.45	Z-LLNle-CHO	ZLLNLECHO	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-ATTQYFOMSA-N	16760646
GDSC.5	Sunitinib	SUNITINIB	CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N	5329102
GDSC.51	Dasatinib	DASATINIB	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	3062316
GDSC.52	GNF-2	GNF2	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	WEVYNIUIFUYDGI-UHFFFAOYSA-N	5311510
GDSC.53	CGP-60474	CGP60474	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	IYNDTACKOAXKBJ-UHFFFAOYSA-N	644215
GDSC.54	CGP-082996	CGP082996	CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5	YVXCDLCJCIDFHE-UHFFFAOYSA-N	24825971
GDSC.55	A-770041	A770041	CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)N	ZMNWFTYYYCSSTF-UHFFFAOYSA-N	9549184
GDSC.56	WH-4-023	WH4023	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	NBTNHSGBRGTFJS-UHFFFAOYSA-N	11844351
GDSC.59	WZ-1-84	WZ184	NULL	NULL	49821040
GDSC.6	PHA-665752	PHA665752	CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N	10461815
GDSC.60	BI-2536	BI2536	CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N	11364421
GDSC.62	BMS-536924	BMS536924	CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5	UGQMURPIMYALPH-PZJQAWQVSA-N	10390396
GDSC.63	BMS-509744	BMS509744	CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)(C)C	ZHXNIYGJAOPMSO-UHFFFAOYSA-N	11467730
GDSC.64	CMK	CMK	CC1=C(C=CC(=C1)O)Cl	CFKMVGJGLGKFKI-UHFFFAOYSA-N	1732
GDSC.71	Pyrimethamine	PYRIMETHAMINE	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N	4993
GDSC.83	JW-7-52-1	JW7521	[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]	NTGFFEISRDRAST-UHFFFAOYSA-N	20822503
GDSC.86	A-443654	A443654	CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N	YWTBGJGMTBHQTM-IBGZPJMESA-N	10172943
GDSC.87	GW843682X	GW843682X	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N	9826308
GDSC.88	Entinostat	ENTINOSTAT	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	4261
GDSC.89	Parthenolide	PARTHENOLIDE	CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-ZRPLFPEYSA-N	5420804
GDSC.9	MG-132	MG132	CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N	462382
GDSC.91	GSK319347A	GSK319347A	N#[In]	NWAIGJYBQQYSPW-UHFFFAOYSA-N	117560
GDSC.94	TGX221	TGX221	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4	CPRAGQJXBLMUEL-UHFFFAOYSA-N	9907093
gCSI.1	BI-D1870	BID1870	CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C	DTEKTGDVSARYDS-UHFFFAOYSA-N	25023738
gCSI.10	Lapatinib	LAPATINIB	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N	208908
gCSI.11	MS-275	MS275	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	4261
gCSI.12	PD-0325901	PD0325901	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O	SUDAHWBOROXANE-SECBINFHSA-N	9826528
gCSI.13	Paclitaxel	PACLITAXEL	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7	RCINICONZNJXQF-MZXODVADSA-N	36314
gCSI.14	Rapamycin	RAPAMYCIN	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	5284616
gCSI.15	Thapsigargin	THAPSIGARGIN	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=CC)/C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C	IXFPJGBNCFXKPI-FSIHEZPISA-N	446378
gCSI.16	Vorinostat	VORINOSTAT	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N	5311
gCSI.2	Bortezomib	BORTEZOMIB	B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N	387447
gCSI.3	Crizotinib	CRIZOTINIB	CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	SCJHEFQWKWHQTO-GFCCVEGCSA-N	54613769
gCSI.4	Docetaxel	DOCETAXEL	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	148124
gCSI.5	Doxorubicin	DOXORUBICIN	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBJBKNOSA-N	32874
gCSI.6	Erlotinib	ERLOTINIB	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N	176871
gCSI.7	GDC-0941	GDC0941	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	LHNIIDJUOCFXAP-UHFFFAOYSA-N	17755052
gCSI.8	Gemcitabine	GEMCITABINE	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl	OKKDEIYWILRZIA-UHFFFAOYSA-N	356653
gCSI.9	Irinotecan	IRINOTECAN	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N	60838