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
20218	SB590885	LSM-42746		53239990	InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,28H,6,10,15-16H2,1-2H3,(H,29,30)	DPCXEUSDRQOOGZ-UHFFFAOYSA-N	CN(C)CCOc1ccc(cc1)c1nc(c([nH]1)=C1C=CNC=C1)=c1ccc2=C(CCc2c1)(N=O)	HMS_LINCS	10046	10046-101-1	Haoyuan chemexpress	HY-10966	HY-999-20090510					453.216475154							
20218	PLX-4720	LSM-1049	PLX-4720	24180719	InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	YZDJQTHVDDOVHR-UHFFFAOYSA-N	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	HMS_LINCS	10049	10049-101-1	Nathanael Gray (DFCI)	KIN001-159	PLX-4720-1					413.041246138							90295
20218	AZ628	LSM-1050	AZ-628; AZ 628	11676786	InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)	ZGBGPEDJXCYQPH-UHFFFAOYSA-N	CN1C=Nc2ccc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)cc2C1=O	HMS_LINCS	10050	10050-101-1	Haoyuan chemexpress	HY-11004	HY-999-20100706					451.20082509							91354
20218	Selumetinib	LSM-1056	Selumetinib; AZD6244; AZD-6244; ARRY-886; ARRAY142886; ARRY-142886; AZD-6244 HYD-SULFATE; SELUMETINIB (AZD6244); AZD 6244 (ARRY-142886); AZD-6244 HYDROGEN SULFATE; Selumetinib Sulfate	10127622	InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	CYOHGALHFOKKQC-UHFFFAOYSA-N	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO	HMS_LINCS	10056	10056-101-1	Haoyuan chemexpress	HY-50706	HM-023_9-20101129					456.00000889							90227
20218	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
