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
20277	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
20277	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
20277	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
20277	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
20277	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
20277	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
