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_comments	sm_chebi_id
20355	Alvocidib	LSM-1011	Flavopiridol; Alvocidib; HL-275; L868275; HMR-1275; L-868275; L-86-8275; NSC-649890; MDL-107826A; Flavopiridol(Alvocidib); Flavopiridol HCl; Alvocidib HCl	5287969	InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	BIIVYFLTOXDAOV-YVEFUNNKSA-N	CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl	HMS_LINCS	10011	10011-101-1	Haoyuan chemexpress	HY-10005	HY-009_TM-20090429					401.10300046								47344, 90998
20355	RO-3306	LSM-42788		11631681	InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	XOLMRFUGOINFDQ-YBEGLDIGSA-N	O=C1N=C(NCc2cccs2)S/C/1=C\c3ccc4ncccc4c3	HMS_LINCS	10104-101	10104-101-2	Sigma-Aldrich		026M4708V		C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1			351.050003446								
20355	AZD-1775	LSM-1153	MK 1775; MK-1775; AZD-1775	24856436	InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)	BKWJAKQVGHWELA-UHFFFAOYSA-N	CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2	HMS_LINCS	10152-101	10152-101-2	MedChem Express	HY-10993	3485		CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O			500.264822344								91414
20355	GSK-2334470	LSM-1222	GSK2334470	46215815	InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1	QLPHOXTXAKOFMU-WBVHZDCISA-N	CNc1nc(cc(n1)c2ccc3c(N)n[nH]c3c2)N4C[C@H](CC[C@H]4C)C(=O)NC5CCCCC5	HMS_LINCS	10221	10221-101-1	Tocris	4143						462.285557788								91465
20355	Rucaparib	LSM-4947	Rucaparib; AG-14447; AG-14699; AG-014699; PF-01367338; AG014699, PF-01367338; AG-014699 (PF-01367338); Rucaparib Phosphate; Rucaparib Camsylate	9931954	InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	HMABYWSNWIZPAG-UHFFFAOYSA-N	CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34	HMS_LINCS	10304	10304-105-1	Cayman Chemical	11570	0444540-5	O=C1NCCC2=C(C3=CC=C(CNC)C=C3)NC4=C2C1=CC(F)=C4.OP(O)(O)=O	O=C1NCCC2=C(C3=CC=C(CNC)C=C3)NC4=C2C1=CC(F)=C4.OP(O)(O)=O			323.143390426								134689, 134692, 94311
20355	AZD5363	LSM-45868	AZD-5363	25227436	InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1	JDUBGYFRJFOXQC-KRWDZBQOSA-N	NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCO)c4ccc(Cl)cc4	HMS_LINCS	10370-101	10370-101-1	MedChem Express	HY-15431	9523		O=C(C1(N)CCN(C2=C3C(NC=C3)=NC=N2)CC1)N[C@H](C4=CC=C(Cl)C=C4)CCO			428.17275181								
20355	Ribociclib	LSM-45221	Ribociclib; LEE011; LEE-011; NVP-LEE011; LEE011-BBA; Ribociclib Succinate	44631912	InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)	RHXHGRAEPCAFML-UHFFFAOYSA-N	CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5	HMS_LINCS	10395-101	10395-101-1	MedChem Express	HY-15777	11003					434.25425766								
20355	THZ1	LSM-45225		73602827	InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+	OBJNFLYHUXWUPF-IZZDOVSWSA-N	CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)c2	HMS_LINCS	10429-102	10429-102-1	MedChem Express	HY-80013A	9575	HCl	CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl.HCl			565.199300916								
20355	AZD2014	LSM-45472	AZD-2014	25262792	InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1	JUSFANSTBFGBAF-IRXDYDNUSA-N	CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C	HMS_LINCS	10437-101	10437-101-1	MedChem Express	HY-15247	8011		C[C@H]1COCCN1C2=NC(N3CCOC[C@@H]3C)=NC4=C2C=CC(C5=CC(C(NC)=O)=CC=C5)=N4			462.23793888								
20355	SHP099	LSM-46200		118238298	InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)	YGUFCDOEKKVKJK-UHFFFAOYSA-N	CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl	HMS_LINCS	10664-102	10664-102-1	MedChem Express		22819					351.10175107800012								
20355	VRT752271	LSM-45974		11719003	InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1	KSERXGMCDHOLSS-LJQANCHMSA-N	CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[C@H](CO)c3cccc(Cl)c3	HMS_LINCS	10665-101	10665-101-1	Selleck Chemicals		03					432.111981404								
20355	LY3203414	LSM-46026		57519748	InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1	ACCFLVVUVBJNGT-AWEZNQCLSA-N	CO[C@@H](C)CN1C(=O)N(C)c2cnc3ccc(cc3c12)c4cncc(c4)C(C)(C)O	HMS_LINCS	10676-101	10676-101-1	MedChem Express		19361					406.200490732								
20355	Ceralasertib	LSM-46201		54761306	InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1	OHUHVTCQTUDPIJ-JYCIKRDWSA-N	C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](=N)(=O)C	HMS_LINCS	10677-101	10677-101-1	MedChem Express		18635					412.168144758000096								
20355	Senexin B	LSM-46202		71661259	InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)	VNADJTWHOAMTLY-UHFFFAOYSA-N	CN1CCN(CC1)C(=O)c2ccc3cc(CCNc4ncnc5ccc(cc45)C#N)ccc3c2	HMS_LINCS	10679-101	10679-101-1	MedChem Express		25886					450.216809512000168								
20355	BMS-265246	LSM-46203		5329775	InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)	SCFMWQIQBVZOQR-UHFFFAOYSA-N	CCCCOc1c(cnc2[nH]ncc12)C(=O)c3c(F)cc(C)cc3F	HMS_LINCS	10680-101	10680-101-1	MedChem Express		06024					345.128883214000098								
20355	THZ531	LSM-46204		118025540	InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1	RUBYHLPRZRMTJO-MOVYNIQHSA-N	CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45	HMS_LINCS	11996-999	11996-999-1								557.230601044000196								
