centerdatasetid	sm_name	sm_lincs_id	sm_alternative_name	sm_pubchem_cid	sm_inchi_parent	sm_inchi_key_parent	sm_smiles_parent	sm_center_name	sm_center_canonical_id	sm_center_batch_id	sm_provider_name	sm_provider_catalog_id	sm_provider_batch_id	sm_salt	sm_smiles_batch	sm_inchi_batch	sm_inchi_key_batch	sm_molecular_mass	sm_purity	sm_purity_method	sm_aqueous_solubility	sm_logp	sm_alternative_id	sm_relevant_citations	sm_chebi_id
20272	Dasatinib	LSM-1020	Sprycel; Dasatinib; BMS-354825; BMS-354825-03	3062316	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4	HMS_LINCS	10020	10020-101-1	Haoyuan chemexpress	HY-10181	HY-999-20101220					487.155721542							49375
20272	Saracatinib	LSM-1032	Saracatinib; AZD0530; AZD-0530; AZ-10353926; AZD-0530 DIFUMARATE; SARACATINIB (AZD0530); Saracatinib Difumarate	10302451	InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	OUKYUETWWIPKQR-UHFFFAOYSA-N	CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1	HMS_LINCS	10032	10032-101-1	Haoyuan chemexpress	HY-10234	HY-999-20100409					541.209196884							
20272	Vemurafenib	LSM-1068	Zelboraf; Vemurafenib; R7204; RG7204; PLX4032; RG-7204; PLX-4032; RO5185426; RO-5185426; Vemurafenib (plx4032, rg7204)	42611257	InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	GPXBXXGIAQBQNI-UHFFFAOYSA-N	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F	HMS_LINCS	10068	10068-101-1	Haoyuan chemexpress	HY-12057						489.072546266							63637
20272	PF-562271	LSM-1072	PF562271; PF-562271; KIN001-205; PF-00562271	11713159	InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)	MZDKLVOWGIOKTN-UHFFFAOYSA-N	CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C	HMS_LINCS	10072-101	10072-101-2	Selleck Chemicals	S2890						507.13004286							91370
20272	Belinostat	LSM-43181	Belinostat; PXD101; PXD-101; RLM-2-89; BELINOSTAT (PXD101)	6918638	InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	NCNRHFGMJRPRSK-MDZDMXLPSA-N	ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc2ccccc2	HMS_LINCS	10310	10310-101-1	Haoyuan chemexpress	HY-10225	HY-10225-20111013					318.067427638							61076
20272	1268524-70-4	LSM-6332	(+)-JQ1; (S)-JQ1; JQ1-S	46907787	InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	DNVXATUJJDPFDM-KRWDZBQOSA-N	Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C	HMS_LINCS	10328	10328-101-1	Haoyuan chemexpress	HY-13030	HM-149_TM-20130205					456.13867448							137113, 95080
20272	GSK 525762A	LSM-6334	I-BET-762; GSK525762A; GSK 525762A; MSC2597611A-1; I-BET	46943432	InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	AAAQFGUYHFJNHI-SFHVURJKSA-N	CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14	HMS_LINCS	10330	10330-101-1	Haoyuan chemexpress	HY-13032	HM-279_12A-20130322					423.146202704							95082
20272	I-BET151	LSM-6335	GSK1210151A; I-BET151 (GSK1210151A)	52912189	InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	VUVUVNZRUGEAHB-CYBMUJFWSA-N	COc1cc2c3N([C@H](C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C	HMS_LINCS	10331	10331-101-1	Haoyuan chemexpress	HY-13235	HY-13235-20130409					415.164439582							95083
20272	JNK-IN-8	LSM-44525		57340686	InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+	GJFCSAPFHAXMSF-UXBLZVDNSA-N	CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2	HMS_LINCS	10363	10363-101-1	EMD Millipore	420150						507.238273238							
20272	Defactinib	LSM-45153	Defactinib; VS-6063; PF-04554878; Defactinib Hydrochloride	25117126	InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)	FWLMVFUGMHIOAA-UHFFFAOYSA-N	CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1	HMS_LINCS	10621-101	10621-101-1	Selleck Chemicals	S7654						510.140941902							
