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
20120	GSK-461364	LSM-1013	GSK461364; GSK461364A	15983966	InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1	ZHJGWYRLJUCMRT-QGZVFWFLSA-N	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F	HMS_LINCS	10013	10013-101-3								543.191580476							91333
20120	Tozasertib	LSM-1021	Tozasertib; VX-68; VX680; VX-680; MK-045; MK-0457; VX-680(MK-0457); VX-680 (TOZASERTIB, MK-0457); N-(4-(4-(3-Methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide vx-680; Tozasertib Lactate	5494449	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2	HMS_LINCS	10021	10021-101-5	Selleck Chemicals							464.210678286							91336
20120	Imatinib	LSM-1023	Gleevec; Glivec; Imatinib; STI-571; CGP-57148B; IMATINIB (STI571); IMATINIB (3524741); Imatinib Mesylate; Imatinib Mesilate	5291	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	KTUFNOKKBVMGRW-UHFFFAOYSA-N	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	HMS_LINCS	10023	10023-103-3	LC Labs	I-5508		O=S(=O)(O)C.O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C	O=S(=O)(O)C.O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C			493.259008682							31690, 45783
20120	PD-173074	LSM-1026	PD173074; PD-173074; PD 173074	1401	InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)	DXCUKNQANPLTEJ-UHFFFAOYSA-N	CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3	HMS_LINCS	10026	10026-101-3	Sigma-Aldrich	P2499						523.327088242							63448
20120	AKT Inhibitor VIII	LSM-1035	AKTI-1/2; KIN001-102; SIGMA A6730; AKT1/2 Kinase Inhibitor; AKT Inhibitor VIII	10196499	InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)	BIWGYFZAEWGBAL-UHFFFAOYSA-N	O=C1Nc2ccccc2N1C3CCN(Cc4ccc(cc4)c5nc6cc7[nH]cnc7cc6nc5c8ccccc8)CC3	HMS_LINCS	10035	10035-109-2	Sigma-Aldrich	A6730		C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=CC7=C(C=C6N=C5C8=CC=CC=C8)N=CN7.C(=O)(C(F)(F)F)O.O	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=CC7=C(C=C6N=C5C8=CC=CC=C8)N=CN7.C(=O)(C(F)(F)F)O.O			551.243358618							91346
20120	GSK-1070916	LSM-1062	GSK1070916; KIN001-216	46885626	InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	QTBWCSQGBMPECM-UHFFFAOYSA-N	CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5	HMS_LINCS	10062	10062-101-3								507.274658746							91362
20120	Erlotinib	LSM-1097	Tarceva; Erlotinib; R-1415; OSI-774; RG-1415; RO-508231; CP-358774; CP-35877401; CP-358774-01; Erlotinib hcl (osi-744); Erlotinib HCl	176870	InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	AAKJLRGGTJKAMG-UHFFFAOYSA-N	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	HMS_LINCS	10097	10097-102-3	LC Labs	E-4007		Cl.n2c1c(cc(OCCOC)c(OCCOC)c1)c(nc2)Nc3cc(C#C)ccc3	Cl.n2c1c(cc(OCCOC)c(OCCOC)c1)c(nc2)Nc3cc(C#C)ccc3			393.168856246							114785, 53509
20120	Gefitinib	LSM-1098	Iressa; Gefitinib; ZD1839; ZD-1839	123631	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	XGALLCVXEZPNRQ-UHFFFAOYSA-N	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4	HMS_LINCS	10098	10098-101-2								446.152096578							49668
20120	BRD-A28746609	LSM-1102	Taxol; Paclitaxel	441276	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1	RCINICONZNJXQF-VAZQATRQSA-N	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C	HMS_LINCS	10102	10102-101-3	LC Labs	P-9600						853.330955322							
20120	MG-132	LSM-1107	MG132; MG-132	462382	InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1	TZYWCYJVHRLUCT-VABKMULXSA-N	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O	HMS_LINCS	10107	10107-101-2	Enzo Life Sciences	260-092						475.304621442							75142
20120	Geldanamycin	LSM-42789	Geldanamycin	5288382	InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	QTQAWLPCGQOSGP-KSRBKZBZSA-N	CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O	HMS_LINCS	10108	10108-101-2		G-4500						560.27338088							5292
20120	Afatinib	LSM-43226	Gilotrif; Afatinib; Giotrif; BIBW2992; BIBW-2992; BIBW2992-MA2; AFATINIB (BIBW2992); Afatinib Dimaleate	10184653	InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	ULXXDDBFHOBEHA-CWDCEQMOSA-N	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4	HMS_LINCS	10133	10133-101-2	Selleck Chemicalschem							485.16299562							61390, 76003
20120	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	10142-999-2								615.077875466							75991, 75998
20120	EX-8678	LSM-1147	Omipalisib; GSK2126458	52914946	InChI=1S/C25H17F2N5O3S/c1-35-25-24(32-36(33,34)23-5-3-17(26)13-21(23)27)19(8-10-29-25)15-2-4-22-20(12-15)18(7-9-28-22)16-6-11-30-31-14-16/h2-14,32H,1H3	NPPBBAURRJGWEH-UHFFFAOYSA-N	COc1nccc(c1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3	HMS_LINCS	10146	10146-101-2								505.102016544							91410
20120	GSK-1059615	LSM-42798	GSK615; GSK1059615	23582824	InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-	QDITZBLZQQZVEE-YBEGLDIGSA-N	O=C1NC(=O)\C(=C\c2ccc3nccc(c4ccncc4)c3c2)\S1	HMS_LINCS	10172	10172-101-2								333.057197312							
20120	Sunitinib	LSM-42800	Sutent; Sunitinib; SU11248; SU-11248; Sunitinib Malate (Sutent); Sunitinib Malate	5329102	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	WINHZLLDWRZWRT-ATVHPVEESA-N	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	HMS_LINCS	10175	10175-106-3	LC Laboratories	S-8803		O=C(O)C[C@H](O)C(=O)O.O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C	O=C(O)C[C@H](O)C(=O)O.O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C			398.211804344							38940
20120	Bosutinib	LSM-1190	Bosulif; Bosutinib; SKI-606; BOSUTINIB (SKI-606); Bosutinib Monohydrate	5328940	InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	UBPYILGKFZZVDX-UHFFFAOYSA-N	COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl	HMS_LINCS	10189	10189-101-2	Selleck Chemicals							529.164745258							39112
20120	Tyrphostin AG-1478	LSM-1224	Tyrphostin; AG1478; AG-1478; Tyrphostin AG 1478	2051	InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	GFNNBHLJANVSQV-UHFFFAOYSA-N	COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC	HMS_LINCS	10223	10223-101-2	LC Laboratories	T-7310						315.077454428							75404
20120	IKK Inhibitor VII	LSM-2309	IKK16; IKK 16	9549298	InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)	BWZJBXAPRCVCKQ-UHFFFAOYSA-N	O=C(N1CCC(CC1)N2CCCC2)c3ccc(Nc4nccc(n4)c5cc6ccccc6s5)cc3	HMS_LINCS	10228	10228-102-2	Tocris	2539		c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6.Cl	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6.Cl			483.209281288							92257
20120	Lestaurtinib	LSM-1231	Lestaurtinib; SP924; SP-924; KT-555; CEP-701; KT-5555; SPM-924; A-154475; A-1544750	126565	InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	UIARLYUEJFELEN-LROUJFHJSA-N	C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35	HMS_LINCS	10230	10230-101-2	LC Laboratories	L-6307						439.153206182							91471
20120	Everolimus	LSM-43055			InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35+,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1	HKVAMNSJSFKALM-JRCHKHJVSA-N	CO[C@@H]1C[C@H](C[C@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO	HMS_LINCS	10235	10235-101-2	LC Laboratories	E-4040						957.581356346001							
20120	17AAG	LSM-43239	17-AAG	6440175	InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	AYUNIORJHRXIBJ-HTLBVUBBSA-N	CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C\[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O	HMS_LINCS	10236	10236-101-1		A-6880						585.305015366							
20120	Doxifluridine	LSM-6359	5-DFUR; 5'-Deoxy-5-fluorouridine; Doxifluridine	18343	InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1	ZWAOHEXOSAUJHY-ZIYNGMLESA-N	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O	HMS_LINCS	10237	10237-101-1	Sigma-Aldrich	F8791						246.065199672							31521
20120	Fluorouracil	LSM-4261	5-Fluorouracil; 5-FU; 5.F.U.; Fluorouracil; Carac; Efudex; Adrucil; Fluracil; Fluoroplex; Efudix; Actikerall; Accusite; RO-29757; Fluorouracil (5-fluoracil, 5-fu); Fluoro-Uracil Roche	3385	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	GHASVSINZRGABV-UHFFFAOYSA-N	FC1=CNC(=O)NC1=O	HMS_LINCS	10238	10238-101-1	Celgene							130.017855556							46345
20120	179324-69-7	LSM-6281	Bortezomib; Velcade; PS-341; LDP-341; B675700.CDX; BORTEZOMIB (PS-341)	387447	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	GXJABQQUPOEUTA-RDJZCZTQSA-N	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O	HMS_LINCS	10241	10241-101-1	LC Laboratories	B-1408						384.19688582							52717
20120	Carboplatin	LSM-44959		5352133	InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2	OLESAACUTLOWQZ-UHFFFAOYSA-L	[NH3][Pt](OC1=O)([NH3])OC(C12CCC2)=O	HMS_LINCS	10242	10242-101-1				C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]	C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]			371.044480884							31355
20120	CID 476863	LSM-4266	CGC-11047	476863	InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3	XFWLTFZLLXVKDY-UHFFFAOYSA-N	CCNCCCNCC=CCNCCCNCC	HMS_LINCS	10243	10243-999-1	Progen Pharmaceuticals Ltd.			CCNCCCNCC=CCNCCCNCC.Cl.Cl.Cl.Cl	CCNCCCNCC=CCNCCCNCC.Cl.Cl.Cl.Cl			256.262697064							93760
20120	CID 490709	LSM-4267	CGC-11144	490709	InChI=1S/C40H90N10/c1-3-41-23-5-7-25-43-27-9-11-29-45-31-13-15-33-47-35-17-19-37-49-39-21-22-40-50-38-20-18-36-48-34-16-14-32-46-30-12-10-28-44-26-8-6-24-42-4-2/h21-22,41-50H,3-20,23-40H2,1-2H3	BDTMNIXVRYGYPA-UHFFFAOYSA-N	CCNCCCCNCCCCNCCCCNCCCCNCC=CCNCCCCNCCCCNCCCCNCCCCNCC	HMS_LINCS	10244	10244-999-1								710.734992980001							93761
20120	Cis-Platin	LSM-4268	Cisplatin; Cisplatinum; Cis-Dichlorodiamine Platinum	441203	InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2	LXZZYRPGZAFOLE-UHFFFAOYSA-L	Cl[Pt]([NH3])([NH3])Cl	HMS_LINCS	10245	10245-101-1	R Neve (LBL)			N.N.[Cl-].[Cl-].[Pt+2]	N.N.[Cl-].[Cl-].[Pt+2]			298.955577632							27899, 35852
20120	Irinotecan	LSM-2167	Camptosar; Irinotecan; Campto; CPT 11; CPT-11; U-101440E; Irinotecan Hcl )Trihydrate); Irinotecan Hydrochloride Trihydrate; Irinotecan Hcl Trihydrate; Irinotecan HCl	60838	InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1	UWKQSNNFCGGAFS-XIFFEERXSA-N	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4	HMS_LINCS	10246	10246-101-1	J Park (UCSF)							586.279134976							5971, 80630
20120	Docetaxel	LSM-6360	Taxotere; Docefrez; Docetaxel; Taxceus; RP-56976	148124	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C	HMS_LINCS	10247	10247-101-1	LC Laboratories	D-1000						807.346605386							4672, 59809
20120	Doxorubicin	LSM-4062	Adriamycin; Doxil; Doxorubicin; Rubex; Hydroxydaunorubicin; Adriblastina; Myocet; Caelyx; Doxorubicin Hydrochloride; Doxorubicin Trifluoroacetate; Adriamycin PFS; Adriamycin RDF; Doxorubicin HCl	31703	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	AOJJSUZBOXZQNB-TZSSRYMLSA-N	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	HMS_LINCS	10248	10248-101-1	J Park (UCSF)							543.174060758							28748, 31522
20120	Epirubicin	LSM-2078	Ellence; Epirubicin; Farmorubicin; Pharmorubicin; IMI-28; Epirubicin Hydrochloride; Epirubicin HCl	41867	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1	AOJJSUZBOXZQNB-VTZDEGQISA-N	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	HMS_LINCS	10249	10249-999-1								543.174060758							47898
20120	Etoposide	LSM-6348	Etoposide; Toposar; Vepesid; VP-16-213	36462	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	VJJPUSNTGOMMGY-MRVIYFEKSA-N	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26	HMS_LINCS	10250	10250-101-1	Tocris	1226						588.184291084							4911
20120	Fascaplysin	LSM-4272	Fascaplysin; NSC-622398; GNF-PF-1458	73293	InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	WYQIPCUPNMRAKP-UHFFFAOYSA-O	O=C1c2ccccc2[n+]3ccc4c5ccccc5[nH]c4c13	HMS_LINCS	10251	10251-112-1	Sigma-Aldrich	F7804		[Cl-].O=C2c1c(cccc1)[n+]3c2c5c(cc3)c4ccccc4n5	[Cl-].O=C2c1c(cccc1)[n+]3c2c5c(cc3)c4ccccc4n5			271.087137992							93765
20120	Gemcitabine	LSM-5333	Gemcitabine; Gemzar; LY-188011; Gemcitabine Hydrochloride; Gemcitabine HCl	60750	InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1	SDUQYLNIPVEERB-QPPQHZFASA-N	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F	HMS_LINCS	10252	10252-999-1								263.071762262							175901, 31647
20120	GSK1838705A	LSM-4276	GSK1838705A	25182616	InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)	HZTYDQRUAWIZRE-UHFFFAOYSA-N	CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25	HMS_LINCS	10255	10255-101-1								532.234665068							93768
20120	SCHEMBL3461341	LSM-4278	GSK923295	68651179	InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25?/m0/s1	WHMXDBPHBVLYRC-BWDMCYIDSA-N	CC(C)Oc1ccc(cc1Cl)C(=O)NC(CNC(=O)CN(C)C)Cc2ccc(cc2)c3cn4cccc([C@H](C)O)c4n3	HMS_LINCS	10257	10257-101-1								591.261232456							93769
20120	Ibandronic acid	LSM-4279	Ibandronate; Boniva; Iasibon; Bondronat; Quodixor; Bonviva; BM 21.0955; BM-21.0955; Ibandronate Sodium; Ibandronic acid	60852	InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	MPBVHIBUJCELCL-UHFFFAOYSA-N	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	HMS_LINCS	10258	10258-110-1	Sigma-Aldrich	I5784		[Na+].O=P([O-])(O)C(O)(CCN(CCCCC)C)P(=O)(O)O	[Na+].O=P([O-])(O)C(O)(CCN(CCCCC)C)P(=O)(O)O			319.094975106							
20120	Ispinesib	LSM-5732	Ispinesib; Ispinesib mesilate(sb-715992)	6851740	InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1	QJZRFPJCWMNVAV-HHHXNRCGSA-N	CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4	HMS_LINCS	10260	10260-999-1	Cytokinetics							516.229204046							94692
20120	Ixabepilone	LSM-43293	Ixempra; Ixabepilone; BMS-247550-01; Ixempra Kit	6445540	InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1	FABUFPQFXZVHFB-PVYNADRNSA-N	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C	HMS_LINCS	10261	10261-101-1								506.281443154							63605
20120	Panobinostat	LSM-43059	Lbh; Panobinostat; Farydak; LBH589; THM-I-91; LBH-589(PANOBINOSTAT); Panobinostat Lactate	6918837	InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	FPOHNWQLNRZRFC-ZHACJKMWSA-N	Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3	HMS_LINCS	10263	10263-101-1	Selleck Chemicals							349.179027006							85990, 85991
20120	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	10265-101-1								443.16272502							95028
20120	NSC 663284	LSM-2042	NSC-663284	379077	InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2	BMKPVDQDJQWBPD-UHFFFAOYSA-N	ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O	HMS_LINCS	10266	10266-101-1	Tocris	1867						321.088019112							92053
20120	NU6102	LSM-4287		4566	InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)	OWXORKPNCHJYOF-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1	HMS_LINCS	10267	10267-101-1	Enzo Life Sciences	270-419						402.147409314							
20120	NUTLIN-3	LSM-6351	NUTLIN-3; NUTLIN 3A	11433190	InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	BDUHCSBCVGXTJM-WUFINQPMSA-N	COc1ccc(C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5)c(OC(C)C)c1	HMS_LINCS	10268	10268-101-1								580.1644109							95096
20120	Oxaliplatin	LSM-44941			InChI=1S/C6H14N2.2CH2O2.Pt/c7-5-3-1-2-4-6(5)8;2*2-1-3;/h5-6H,1-4,7-8H2;2*1H,(H,2,3);/q;;;+2/p-2	KYSWBBUBOHOLDA-UHFFFAOYSA-L	O=CO[Pt]1([NH2]C2CCCCC2[NH2]1)OC=O	HMS_LINCS	10269	10269-101-1				C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2]	C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2]			399.075781012							
20120	Oxamflatin	LSM-43060		5353852	InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+	QRPSQQUYPMFERG-LFYBBSHMSA-N	ONC(=O)\C=C\C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1	HMS_LINCS	10270	10270-101-1		270-379						342.067427638							
20120	4'-Hydroxytamoxifen	LSM-43294	(Z)-4-Hydroxytamoxifen; 4-OHT; Tamogel; Afimoxifene	5284643	InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	DODQJNMQWMSYGS-QPLCGJKRSA-N	CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccc(O)cc3	HMS_LINCS	10275	10275-101-1		H7904						387.219829178							
20120	CHEMBL241232	LSM-6362	TCS 2312	11258443	InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)	GRGYFHNWICGOLR-UHFFFAOYSA-N	Oc1ccc(c(O)c1)c2ccc(cc2)c3cc(Nc4ccc(CNC5CC5)cc4)n[nH]3	HMS_LINCS	10276	10276-101-1	Tocris	3038						412.189926048							
20120	Temsirolimus	LSM-4295		148191	InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3	CBPNZQVSJQDFBE-UHFFFAOYSA-N	COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1OC(=O)C(C)(CO)CO	HMS_LINCS	10277	10277-101-1	LC Laboratories	T-8040						1029.602485714							93784
20120	Topotecan	LSM-5662	Hycamptin; Topotecan; Hycamtin; Potactasol; SK-S-104864-A; SK&F-S-104864A; Topotecan HCl	60700	InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	UCFGDBYHRUNTLO-QHCPKHFHSA-N	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O	HMS_LINCS	10278	10278-999-1	J Park (UCSF)							421.163770866							63632
20120	Trichostatin	LSM-43005	Trichostatina; GNF-PF-1011; Trichostatin A	444732	InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	RTKIYFITIVXBLE-QEQCGCAPSA-N	C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C	HMS_LINCS	10279	10279-101-1		89730						302.163042584							46024
20120	Triciribine	LSM-3810	NSC-154020	65399	InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1	HOGVTUZUJGHKPL-HTVVRFAVSA-N	CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4ncnc1c24	HMS_LINCS	10280	10280-101-1								320.123303052							65310
20120	Vinorelbine base	LSM-6302	Vinorelbine; Navelbine; Vinorelbine Tartrate; Vinorelbine Ditartarate; Vinorelbine base	5311497	InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1	GBABOYUKABKIAF-IELIFDKJSA-N	CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC	HMS_LINCS	10281	10281-101-1								778.394164728							480999
20120	Vorinostat	LSM-3828	Saha; Zolinza; Vorinostat; BG-1034; MAZ1448-IV-94; N1-Hydroxy-n8-phenyloctanediamide cali-011-1; Suberoylanilide Hydroxamic acid; Vorinostat (Saha); Suberoylanilide Hydroxamic Acid (Saha); Suberoylanilide Hydroxamic Acid (Saha), Zolinza	5311	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	WAEXFXRVDQXREF-UHFFFAOYSA-N	ONC(=O)CCCCCCC(=O)Nc1ccccc1	HMS_LINCS	10282	10282-101-1								264.14739252							45716
20120	XRP44X	LSM-4298		10339779	InChI=1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3	NPHPNBGYPKBDDB-UHFFFAOYSA-N	Cc1cc(C(=O)N2CCN(CC2)c3cccc(Cl)c3)n(n1)c4ccccc4	HMS_LINCS	10283	10283-101-1	Tocris	3101						380.140389042							93787
20120	Baicalein	LSM-6355		5281605	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	FXNFHKRTJBSTCS-UHFFFAOYSA-N	Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3	HMS_LINCS	10343	10343-101-1	Cayman Chemical	70610						270.05282342							2979
20120	Olomoucine II	LSM-6356		10067756	InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)	NDUVSANREQEDRE-UHFFFAOYSA-N	CCC(CO)Nc1nc(NCc2ccccc2O)c3ncn(C(C)C)c3n1	HMS_LINCS	10344	10344-101-1	Enzo Life Sciences	270-396						370.211724132							95098
20120	PP-242	LSM-6357	Torkinib; PP242	57347681	InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)	MFAQYJIYDMLAIM-UHFFFAOYSA-N	CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14	HMS_LINCS	10345	10345-111-3								308.138559192							90679
20120	Valproic acid	LSM-4620	44089; Stavzor; Depakene; Convulex; Depakote; Depacon; Epilim; Depakine; Orlept; Kentilim; Orfiril; Delepsine; Episenta; A-44090; EPILIM 200; EPILIM 500; ABBOTT-44090; ABBOTT 44090; ABBOTT-50711; EPILIM CHRONO 500; EPILIM CHRONO 300; EPILIM CHRONO 200; Valproate Sodium; Sodium Valproate; Valproic acid; Depakote CP; Depakote ER; Epilim Chronosphere; Epilim IV; Divalproex Sodium; Semisodium Valproate; Valproate Semisodium; Magnesium Valproate	3121	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	NIJJYAXOARWZEE-UHFFFAOYSA-N	CCCC(CCC)C(=O)O	HMS_LINCS	10346	10346-110-1	Enzo Life Sciences	550-304		[Na+].[O-]C(=O)C(CCC)CCC	[Na+].[O-]C(=O)C(CCC)CCC			144.115029752							39867, 4667, 9925
20120	MG-115	LSM-6358	Z-Leu-Leu-Norvalinal	9868928	InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1	QEJRGURBLQWEOU-FKBYEOEOSA-N	CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O	HMS_LINCS	10348	10348-999-1								461.288971378							95100
