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
20350	Pevonedistat	LSM-6263	Pevonedistat; MLN4924; MLN-4924; MLN-4924003; MLN4924 (HYDROCHLORIDE); Pevonedistat HCl	16720766	InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1	MPUQHZXIXSTTDU-QXGSTGNESA-N	NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n2ccc3c(N[C@H]4CCc5ccccc45)ncnc23	HMS_LINCS	10265-102	10265-102-2	MedChem Express		09546					443.16272502							95028
20350	Mitoxantrone	LSM-2481	Novantrone; Mitozantrone; Mitoxantrone; CL-232315; Mitoxanthrone Hydrochloride; Mitoxantrone Dihydrochloride; Mitoxantrone HCl; Mitoxantrone Hydrochloride; Mitoxantrone Dihcl	4212	InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2	KKZJGLLVHKMTCM-UHFFFAOYSA-N	OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12	HMS_LINCS	10479-102	10479-102-2	Selleck Chemicals		S248502					444.200884656							50727, 50729
20350	b-AP15	LSM-46195		5351435	InChI=1S/C22H17N3O6/c1-2-21(26)23-13-17(11-15-3-7-19(8-4-15)24(28)29)22(27)18(14-23)12-16-5-9-20(10-6-16)25(30)31/h2-12H,1,13-14H2/b17-11+,18-12+	GFARQYQBWJLZMW-JYFOCSDGSA-N	[O-][N+](=O)c1ccc(\C=C\2/CN(C\C(=C/c3ccc(cc3)[N+](=O)[O-])\C2=O)C(=O)C=C)cc1	HMS_LINCS	10543-101	10543-101-1	Selleck Chemicals		S492002					419.111735293999971							
20350	STK547622	LSM-46172		950368	InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)	OJHMDRZMENMQFP-UHFFFAOYSA-N	Nc1c2C=C(C(=O)O)C(=O)Nc2sc1C(=O)c3ccccc3	HMS_LINCS	10544-101	10544-101-2	Vitas-M Laboratory							314.036127510000142							
20350	LDN57444	LSM-46173		24906255	InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3	OPQRFPHLZZPCCH-UHFFFAOYSA-N	CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c3ccc(Cl)cc13	HMS_LINCS	10545-101	10545-101-1	Selleck Chemicals		01					395.983525362000137							
20350	P22077	LSM-46196		46931953	InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3	RMAMGGNACJHXHO-UHFFFAOYSA-N	CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+](=O)[O-]	HMS_LINCS	10546-101	10546-101-1	Selleck Chemicals		01					314.983540873999914							
20350	Trifluoperazine	LSM-4010	Trifluoperazine; Stelazine; Amylozine; TRIFLUOPERAZINE?2HCL; Trifluoperazine Dihydrochloride; Trifluoperazine Hydrochloride; Stelazine FTE; Trifluoperazine Maleate; Trifluoperazine HCl	5566	InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	ZEWQUBUPAILYHI-UHFFFAOYSA-N	CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1	HMS_LINCS	10547-102	10547-102-1	Selleck Chemicals		S320101					407.164303088							45951
20350	5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one	LSM-46174		2913480	InChI=1S/C22H17FN2O4/c1-13-4-9-17(29-13)20(26)18-19(15-5-7-16(23)8-6-15)25(22(28)21(18)27)12-14-3-2-10-24-11-14/h2-11,19,27H,12H2,1H3	XSRKCTJRXUFBJY-UHFFFAOYSA-N	Cc1oc(cc1)C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c4ccc(F)cc4	HMS_LINCS	10548-101	10548-101-1	Sigma Aldrich							392.117235244000199							
20350	Pimozide	LSM-2001	Orap; Pimozide; R-6238; MCN-JR-6238	16362	InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	YVUQSNJEYSNKRX-UHFFFAOYSA-N	Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5	HMS_LINCS	10549-101	10549-101-1	Sigma Aldrich		SLBL8929V					461.227868978							8212
20350	GW7647	LSM-4172	GW7647; GW 7647	3392731	InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PKNYXWMTHFMHKD-UHFFFAOYSA-N	CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3)cc1)C(=O)O	HMS_LINCS	10550-101	10550-101-1	Sigma Aldrich		013M4613V					502.322914042							70778
20350	MI-2	LSM-46175		45942672	InChI=1S/C19H17Cl3N4O3/c1-28-8-9-29-19-24-18(12-2-7-15(21)16(22)10-12)26(25-19)14-5-3-13(4-6-14)23-17(27)11-20/h2-7,10H,8-9,11H2,1H3,(H,23,27)	TWJGQZBSEMDPQP-UHFFFAOYSA-N	COCCOc1nc(c2ccc(Cl)c(Cl)c2)n(n1)c3ccc(NC(=O)CCl)cc3	HMS_LINCS	10551-101	10551-101-1	Selleck Chemicals		S742902					454.036623574000089							
20350	Sepantronium	LSM-5399	YM155; YM-155; YM155 (SEPANTRONIUM BROMIDE)	10126189	InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1	OTSOOHRUMBRSHZ-UHFFFAOYSA-N	COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13	HMS_LINCS	10552-115	10552-115-1	Selleck Chemicals		S113004					363.145715508							94552
20350	HBX 41108	LSM-46176		16065773	InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H	BIGPXXAUSQLTQR-UHFFFAOYSA-N	Clc1ccc2c(c1)C(=O)c3nc(C#N)c(nc23)C#N	HMS_LINCS	10554-101	10554-101-1	Tocris		5A/181085					265.99953846599999							
20350	Doxycycline	LSM-46177		54671203	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1	SGKRLCUYIXIAHR-AKNGSSGZSA-N	C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(=C(O)[C@@]3(O)C(=O)C2=C(O)c4c(O)cccc14)C(=O)N	HMS_LINCS	10556-116	10556-116-1	Sigma Aldrich		065M4048V					444.153265748000024							
20350	Degrasyn	LSM-46178		11222830	InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1	LIDOPKHSVQTSJY-VMEIHUARSA-N	CCC[C@H](NC(=O)\C(=C\c1cccc(Br)n1)\C#N)c2ccccc2	HMS_LINCS	10558-101	10558-101-1	Selleck Chemicals		S224302					383.063324826000098							
20350	SJB3-019A	LSM-46179		78358325	InChI=1S/C16H8N2O3/c19-13-10-5-1-2-6-11(10)14(20)15-12(13)18-16(21-15)9-4-3-7-17-8-9/h1-8H	DOYPPVCQHGJUBC-UHFFFAOYSA-N	O=C1c2oc(nc2C(=O)c3ccccc13)c4cccnc4	HMS_LINCS	10559-101	10559-101-1	MedChem Express		11504					276.053492136000045							
20350	IU1	LSM-46180		675434	InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3	JUWDSDKJBMFLHE-UHFFFAOYSA-N	Cc1cc(C(=O)CN2CCCC2)c(C)n1c3ccc(F)cc3	HMS_LINCS	10560-101	10560-101-1	Selleck Chemicals		S713401					300.163791512000046							
20350	Spautin-1	LSM-46181		51037431	InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)	AWIVHRPYFSSVOG-UHFFFAOYSA-N	Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1	HMS_LINCS	10561-101	10561-101-1	Selleck Chemicals		S788801					271.092103782000095							
20350	Vialinin A	LSM-46182		11563133	InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2	NOJUKCRPSUMHQQ-UHFFFAOYSA-N	Oc1ccc(cc1)c2c(O)c(O)c(c(OC(=O)Cc3ccccc3)c2OC(=O)Cc4ccccc4)c5ccc(O)cc5	HMS_LINCS	10562-101	10562-101-1	Cayman Chemical							562.162767792000409							
20350	HY-17541A	LSM-46183		12000657	InChI=1S/C18H14N4O/c19-11-13-4-6-14(7-5-13)15-2-1-3-16(10-15)23-18-8-9-21-17(12-20)22-18/h1-10H,11,19H2	RMVQVAZRAZGSTH-UHFFFAOYSA-N	NCc1ccc(cc1)c2cccc(Oc3ccnc(n3)C#N)c2	HMS_LINCS	11942-102	11942-102-1	MedChem Express							302.116761107999992							
20350	SJB2-043	LSM-46184		509070	InChI=1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H	CMYQQADDUUDCCA-UHFFFAOYSA-N	O=C1c2oc(nc2C(=O)c3ccccc13)c4ccccc4	HMS_LINCS	11943-101	11943-101-1	Sara Buhrlage							275.058243158000096							
20350	1247825-37-1	LSM-46185		51031028	InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)	GUDJFFQZIISQJB-UHFFFAOYSA-N	CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1	HMS_LINCS	11945-101	11945-101-1	MedChem Express							482.933958732000121							
20350	HY-50737A	LSM-46186		73230796	InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3	VKVAJBRQGBRHIK-UHFFFAOYSA-N	CCON=C1c2ccccc2c3nc(C#N)c(nc13)C#N	HMS_LINCS	11946-101	11946-101-1	MedChem Express							275.080709958							
20350	HY-50736	LSM-46187		73230795	InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2	GKOWDIBLCDZJHF-UHFFFAOYSA-N	N#Cc1nc2C(=NOCc3ccccc3)c4ccccc4c2nc1C#N	HMS_LINCS	11947-101	11947-101-1	MedChem Express							337.096360021999999							
20350	ML-323	LSM-46188		60167849	InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	VUIRVWPJNKZOSS-UHFFFAOYSA-N	CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2	HMS_LINCS	11948-101	11948-101-1	MedChem Express		20140403.0					384.206244828000081							
20350	USP7-IN-1	LSM-46189		71278663	InChI=1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2	CITWIBXKKHFDFM-UHFFFAOYSA-N	OC1(CN2C=Nc3cc(Cl)ccc3C2=O)CCN(CC1)C(=O)CCc4ccccc4	HMS_LINCS	11949-101	11949-101-1	MedChem Express							425.150619368000093							
20350	HBX19818	LSM-46190		73349008	InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)	ZCALMLVWZSQGGR-UHFFFAOYSA-N	CN(CCCNC(=O)c1ccc2nc3CCCCc3c(Cl)c2c1)Cc4ccccc4	HMS_LINCS	11950-101	11950-101-1	MedChem Express							421.192090256000199							
20350	HY-17542	LSM-46191		56675046	InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)	KGPYBLOBHQLIET-UHFFFAOYSA-N	CC(NC(=O)c1cc(NC(=O)C)ccc1C)c2cccc3ccccc23	HMS_LINCS	11951-101	11951-101-1	MedChem Express							346.168127964000178							
20350	z-VAE(OMe)-fmk	LSM-46192		78394146	InChI=1S/C23H32FN3O7/c1-14(2)20(27-23(32)34-13-16-8-6-5-7-9-16)22(31)25-15(3)21(30)26-17(18(28)12-24)10-11-19(29)33-4/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,25,31)(H,26,30)(H,27,32)	VBAAQBLMAIONMC-UHFFFAOYSA-N	COC(=O)CCC(NC(=O)C(C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)CF	HMS_LINCS	11952-101	11952-101-1	PI Chemicals		PI201503242049					481.222428594000178							
20350	PB49673382	LSM-46197		4035069	InChI=1S/C26H23ClN6O5S2/c27-20-8-4-5-9-21(20)31-40(36,37)24-16-19(33(34)35)10-11-22(24)30-28-17-23-25(18-6-2-1-3-7-18)29-26(39-23)32-12-14-38-15-13-32/h1-11,16-17,30-31H,12-15H2	WKQHWXDENFKTTR-UHFFFAOYSA-N	[O-][N+](=O)c1ccc(NN=Cc2sc(nc2c3ccccc3)N4CCOCC4)c(c1)S(=O)(=O)Nc5ccccc5Cl	HMS_LINCS	11953-101	11953-101-1	UkrOrgSyntez							598.08598698600008							
20350	SB1-F-21	LSM-46193		118980601	InChI=1S/C15H14N4OS/c16-10-19-7-6-12(9-19)14(20)18-15-17-8-13(21-15)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,18,20)	DPOQOSJMDTZFOR-UHFFFAOYSA-N	O=C(Nc1ncc(s1)c2ccccc2)C3CCN(C3)C#N	HMS_LINCS	11954-101	11954-101-1	Shanghai ChemPartner Co							298.088831797999944							
20350	SB1-F-22	LSM-46194		118981254	InChI=1S/C16H17N5O/c17-11-20-7-6-14(9-20)16(22)19-15-10-21(12-18-15)8-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9H2,(H,19,22)	SZHUYGLQCAIUAC-UHFFFAOYSA-N	O=C(Nc1cn(Cc2ccccc2)cn1)C3CCN(C3)C#N	HMS_LINCS	11955-101	11955-101-1	Shanghai ChemPartner Co							295.143310213999996							
