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
20364	AZD-8055	LSM-1007	AZD8055; AZD-8055; AZ-12600000	25262965	InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1	KVLFRAWTRWDEDF-IRXDYDNUSA-N	COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C	HMS_LINCS	10007	10007-101-1	Nathanael Gray (DFCI)	QL-X-57	QL-X-57-1					465.237604522								91329
20364	Pictilisib	LSM-1047	Pictrelisib; Pictilisib; RG-7321; GDC-0941	17755052	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1	HMS_LINCS	10047	10047-101-1	Nathanael Gray (DFCI)	KIN001-153	GDC-0941-1					513.161679174								65326
20364	SPECPLUS_000840	LSM-1052	Sirolimus	5040	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3	QFJCIRLUMZQUOT-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)CCC1O	HMS_LINCS	10052	10052-101-1	Haoyuan chemexpress	HY-10219	HM-039-20100323					913.555141598001								91355
20364	ZSTK 474	LSM-1053	ZSTK474; TCMDC-137004	11647372	InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	HGVNLRPZOWWDKD-UHFFFAOYSA-N	FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5	HMS_LINCS	10053	10053-101-1	Haoyuan chemexpress	HY-50847	HM-014_TM-20090904					417.172479382								90545
20364	AS-605240	LSM-42784	AS605240; PI 3-KGAMMA Inhibitor	10377751	InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6+	SQWZFLMPDUSYGV-UXBLZVDNSA-N	O=C1NC(=O)\C(=C/c2ccc3nccnc3c2)\S1	HMS_LINCS	10054	10054-101-1	Haoyuan chemexpress	HY-10109	HY-999-20101220					257.025897184								
20364	BX 912	LSM-1055	BX-912	11754511	InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)	DMMILYKXNCVKOJ-UHFFFAOYSA-N	Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4	HMS_LINCS	10055	10055-101-1	Haoyuan chemexpress	HY-11005	HY-999-20101004					470.117820036								91357
20364	MK-2206	LSM-1057	MK2206; MK-2206; MK-2206 2HCL	24964624	InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6	HMS_LINCS	10057	10057-102-1	Haoyuan chemexpress	HY-10358	HY-999-20100504	O=C1N(C=CC2=C3C=C(C(C4=CC=C(C=C4)C5(CCC5)N)=N2)C6=CC=CC=C6)C3=NN1.Cl.Cl	O=C1N(C=CC2=C3C=C(C(C4=CC=C(C=C4)C5(CCC5)N)=N2)C6=CC=CC=C6)C3=NN1.Cl.Cl			407.174610342								67271
20364	AZD-6482	LSM-1059	AZD-6482; KIN001-193; PI3-Kinase ? Inhibitor	44137675	InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1	IRTDIKMSKMREGO-OAHLLOKOSA-N	C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C	HMS_LINCS	10059	10059-101-1	Haoyuan chemexpress	HY-10344	HM-043_11-20100607A					408.179755288								91359
20364	WYE 125132	LSM-1064	WYE-125132	25260757	InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CNC(=O)Nc1ccc(cc1)c2nc(N3CC4CCC(C3)O4)c5cnn(C6CCC7(CC6)OCCO7)c5n2	HMS_LINCS	10064	10064-101-1	Haoyuan chemexpress	HY-10044	HM-057_16-20100825					519.259402606								91364
20364	TORIN1	LSM-1079	TORIN1; TORIN 1	49836027	InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3	AKCRNFFTGXBONI-UHFFFAOYSA-N	CCC(=O)N1CCN(CC1)c2ccc(cc2C(F)(F)F)N3C(=O)C=Cc4cnc5ccc(cc5c34)c6cnc7ccccc7c6	HMS_LINCS	10079	10079-101-1	Nathanael Gray (DFCI)	Torin1	Torin1-1					607.219509786								84327
20364	TORIN-2	LSM-1080	TORIN2	51358113	InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2	HMS_LINCS	10080	10080-101-1	Nathanael Gray (DFCI)	Torin2	Torin2-1					432.11979574								90682
20364	PDK1 Inhibitor	LSM-1081	KIN001-244	49766501	InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1	GCWCGSPBENFEPE-VWLOTQADSA-N	Fc1ccc(CN2C=CC=C(C(=O)N[C@@H](COc3ccc4NC(=O)Nc4c3)c5ccccc5)C2=O)cc1F	HMS_LINCS	10081	10081-101-1	Nathanael Gray (DFCI)	KIN001-244	KIN001-244-1					516.160911624								91373
20364	PI-103	LSM-1126	PI103; PI-103; PI 103 HYDROCHLORIDE	9884685	InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	TUVCWJQQGGETHL-UHFFFAOYSA-N	Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2	HMS_LINCS	10126	10126-101-1	Haoyuan chemexpress	HY-10115						348.122240412								90524
20364	Trametinib	LSM-1143	Mekinist; Trametinib; JTP-74057; GSK1120212; GSK-1120212; GSK1120212B; 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	10142-101-1	Haoyuan chemexpress	HY-10999						615.077875466								75991, 75998
20364	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	10146-101-3	Haoyuan chemexpress	HY-10297	HM-049_18-20121123					505.102016544								91410
20364	Buparlisib	LSM-1148	Buparlisib; BKM120; BKM-120; BKM120-NX; NVP-BKM120; BKM120-AAA; BKM120 (NVP-BKM120, BUPARLISIB); Buparlisib HCl	16654980	InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	CWHUFRVAEUJCEF-UHFFFAOYSA-N	Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	HMS_LINCS	10147	10147-101-1	Haoyuan chemexpress	HY-70063						410.167808572								71954
20364	SCHEMBL570779	LSM-1149	XL147; SAR245408	52914932	InChI=1S/C21H16N6O2S2/c1-13-9-11-14(12-10-13)31(28,29)27-21-20(22-15-5-2-3-6-16(15)23-21)24-17-7-4-8-18-19(17)26-30-25-18/h2-12H,1H3,(H,22,24)(H,23,27)	NCUAOBDESQDAII-UHFFFAOYSA-N	Cc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4cccc5nsnc45	HMS_LINCS	10148	10148-101-1	Haoyuan chemexpress	HY-11105						448.077615192								91411
20364	TGX 221	LSM-1172	TGX221; TGX-221	9907093	InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3	CPRAGQJXBLMUEL-UHFFFAOYSA-N	CC(Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C	HMS_LINCS	10171	10171-101-1	Haoyuan chemexpress	HY-10114						364.189926048								91428
20364	PIK-93	LSM-1191		6852167	InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)	JFVNFXCESCXMBC-UHFFFAOYSA-N	CC(=O)Nc1nc(C)c(s1)c2ccc(Cl)c(c2)S(=O)(=O)NCCO	HMS_LINCS	10190	10190-101-1	Haoyuan chemexpress	HY-12046						389.027075112								
20364	Idelalisib	LSM-1205	Idelalisib; CAL101; CAL-101; GS-1101; GS-11CAL-101; CAL-101 (IDELALISIB, GS-1101)	11625818	InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	IFSDAJWBUCMOAH-HNNXBMFYSA-N	CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5	HMS_LINCS	10204	10204-101-1	Haoyuan chemexpress	HY-13026						415.155686466								82701
20364	Dactolisib	LSM-4255	Dactolisib; BEZ235; BEZ-235; BEZ 235; NVP-BEZ235; NVP-BEZ235-NX; NVP-BEZ235-ANA; BEZ235 (NVP-BEZ235, DACTOLISIB); Dactolisib Tosylate	11977753	InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CN1C(=O)N(c2ccc(cc2)C(C)(C)C#N)c3c1cnc4ccc(cc34)c5cnc6ccccc6c5	HMS_LINCS	10232	10232-101-1	Haoyuan chemexpress	HY-50673	HY-158_TM-20110106					469.190260406								71952
20364	Alpelisib	LSM-4256	Alpelisib; BYL719; BYL-719; NVP-BYL719	56649450	InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F	HMS_LINCS	10233	10233-101-1	Haoyuan chemexpress	HY-15244	HM-206_014-20120614					441.144630284								93752
20364	Apitolisib (gdc-0980, rg7422)	LSM-4257	RG7422; GDC-0980	66694608	InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)	YOVVNQKCSKSHKT-UHFFFAOYSA-N	CC(O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1	HMS_LINCS	10234	10234-101-1	Haoyuan chemexpress	HY-13246	HM-205_14-20120801					498.21615759								93753
20364	159351-69-6	LSM-4258	Everolimus; RAD001	53398658	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	HKVAMNSJSFKALM-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)CCC1OCCO	HMS_LINCS	10235	10235-101-1	Haoyuan chemexpress	HY-10218	HM-039A_5-20110929					957.581356346001								93754
