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
20275	AZD-8055	LSM-1007	AZD8055; AZD-8055; AZ-12600000	25262965	InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1	KVLFRAWTRWDEDF-IRXDYDNUSA-N	COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C	HMS_LINCS	10007-101	10007-101-4	Selleck Chemicals	S1555						465.237604522							91329
20275	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
20275	Pictilisib	LSM-1047	Pictrelisib; Pictilisib; RG-7321; GDC-0941	17755052	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1	HMS_LINCS	10047-101	10047-101-4	Selleck Chemicals	S1065						513.161679174							65326
20275	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
20275	Palbociclib	LSM-1071	Palbociclib; PD0332991; PD-0332991; PF-0008066573; PD-03329910054; Palbociclib (pd-0332991) HCL; Palbociclib Isethionate	5330286	InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	AHJRHEGDXFFMBM-UHFFFAOYSA-N	CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O	HMS_LINCS	10071-102	10071-102-7	Selleck Chemicals	S1116						447.238273238							85993
20275	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
20275	Trametinib	LSM-1143	Mekinist; Trametinib; JTP-74057; GSK1120212; GSK1120212B; GSK-1120212; Trametinib Dimethyl Sulfoxide	11707110	InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C	HMS_LINCS	10142-101	10142-101-6	Selleck Chemicals	S2673						615.077875466							75991, 75998
20275	869288-64-2	LSM-1200	PF-228; PF 573228	11612883	InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)	HESLKTSGTIBHJU-UHFFFAOYSA-N	CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1	HMS_LINCS	10199-101	10199-101-2	Selleck Chemicals	S2013						491.12389484							91446
20275	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							
20275	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							
