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
MI-2	LSM-36369	1271738-62-5	54765302	InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3	SRQYLNYQAPCPIR-UHFFFAOYSA-N	CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(C)(C)S4	PCCSE	PCCSE_1271738-62-5	1271738-62-5	MedChem Express	HY-15222	6399					375.15513723							124925
Afuresertib	LSM-42768	Afuresertib; GSK2110183; GSK2110183C	46843057	InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1	AFJRDFWMXUECEW-LBPRGKRZSA-N	Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3	PCCSE	PCCSE_afuresertib	afuresertib	MedChem Express	HY-15727	13695					426.048415514							131168, 131168
GSK 3BETA Inhibitor VIII	LSM-3514	GSK-3BETA Inhibitor VIII; AR-A014418; AR A014418	448014	InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	YAEMHJKFIIIULI-UHFFFAOYSA-N	COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1	PCCSE	PCCSE_AR A014418	AR A014418	MedChem Express	HY-10512	8907					308.057925594							
Bafilomycin A1	LSM-44931	Bafilomycin A1	6436223	InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1	XDHNQDDQEHDUTM-JQWOJBOSSA-N	CO[C@H]1\C=C\C=C(/C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](O2)C(C)C	PCCSE	PCCSE_bafilomycin A1	bafilomycin A1	Sigma-Aldrich	B1793-10UG	124M4004V					622.408083436							22689
Belinostat	LSM-43181	Belinostat; RLM-2-89; PXD-101; 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	PCCSE	PCCSE_belinostat	belinostat	MedChem Express	HY-10225	4749					318.067427638							61076
BIX01294	LSM-4571	HUM0710; BIX-01294	25150857	InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	OSXFATOLZGZLSK-UHFFFAOYSA-N	COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5	PCCSE	PCCSE_BIX-01294	BIX-01294	MedChem Express	HY-10587	7113					490.305624516							93986
BIX-01338	LSM-4923	BIX-01338; BIX-01338 (QW-BI-050)	56676725	InChI=1S/C32H24F3N3O6/c1-43-24-13-6-21(7-14-24)30(42)44-25-11-2-19(3-12-25)16-17-38-27-15-8-22(29(40)41)18-26(27)36-31(38)37-28(39)20-4-9-23(10-5-20)32(33,34)35/h2-15,18H,16-17H2,1H3,(H,40,41)(H,36,37,39)	OWNQZZTXPWICRQ-UHFFFAOYSA-N	COc1ccc(cc1)C(=O)Oc2ccc(CCn3c(NC(=O)c4ccc(cc4)C(F)(F)F)nc5cc(ccc35)C(=O)O)cc2	PCCSE	PCCSE_BIX-01338	BIX-01338	Sigma-Aldrich	B5313-5MG	040M4608V					603.161720118							94294
BMS-345541	LSM-1028	BMS-345541	9813758	InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)	PSPFQEBFYXJZEV-UHFFFAOYSA-N	Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1	PCCSE	PCCSE_BMS-345541	BMS-345541	MedChem Express	HY-10518	8419	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.Cl	CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.Cl			255.148395594							91340, 91340
BMS-906024	LSM-42763		66550890	InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1	AYOUDDAETNMCBW-GSHUGGBRSA-N	CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)N=C(c2ccccc2)c3ccccc13	PCCSE	PCCSE_BMS-906024	BMS-906024	Active Biochem	A-1401	Batch 1					556.190909932							131164
Alpelisib	LSM-4256	Alpelisib; NVP-BYL719; BYL-719; 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	PCCSE	PCCSE_BYL719	BYL719	MedChem Express	HY-15244	6192					441.144630284							93752
CHEMBL1797936	LSM-43282	C646 (CHEMBL1797936)	1285941	InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-	HEKJYZZSCQBJGB-UNOMPAQXSA-N	CC1=NN(C(=O)/C/1=C\c2oc(cc2)c3cc(C)c(C)cc3[N+](=O)[O-])c4ccc(cc4)C(=O)O	PCCSE	PCCSE_C646 (CHEMBL1797936)	C646 (CHEMBL1797936)	Sigma-Aldrich	SML0002-5MG	073M4602V					445.127385358							
Allm (Calpain Inhibitor)	LSM-42756	Calpain Inhibitor II	16218939	InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15?,16-,17?/m0/s1	RJWLAIMXRBDUMH-CGZBRXJRSA-N	CSCCC(NC(=O)C(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)C=O	PCCSE	PCCSE_calpain inhibitor II	calpain inhibitor II	Cayman Chemical	15994	0458102-3					401.23482732							131160
CC-401	LSM-1186		10430360	InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)	XDJCLCLBSGGNKS-UHFFFAOYSA-N	C(CN1CCCCC1)Oc2cccc(c2)c3n[nH]c4ccc(cc34)c5ncn[nH]5	PCCSE	PCCSE_CC-401	CC-401	MedChem Express	HY-13022A	10514					388.201159448							91437
CHIR-99021	LSM-1181	CHIR-99021; CHIR 99021; CHIR99021	9956119	InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	AQGNHMOJWBZFQQ-UHFFFAOYSA-N	Cc1c[nH]c(n1)c2cnc(NCCNc3ccc(cn3)C#N)nc2c4ccc(Cl)cc4Cl	PCCSE	PCCSE_CHIR99021	CHIR99021	Ab-cam	ab120890-1mg	GR201424-1					464.103148076							91091
Tacedinaline	LSM-19036	Tacedinaline; CI-994; PD-123654; GOE-5549; RLM-2-68	2746	InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	VAZAPHZUAVEOMC-UHFFFAOYSA-N	CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N	PCCSE	PCCSE_CI-994	CI-994	Sigma	C0621-5MG	059K4721V					269.11642675							90195
Compound E	LSM-42757		11306390	InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1	JNGZXGGOCLZBFB-IVCQMTBJSA-N	C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]2N=C(c3ccccc3)c4ccccc4N(C)C2=O	PCCSE	PCCSE_Compound E	Compound E	Cayman Chemical	15579	0460886-4					490.181647068							101713, 131161
CPI-169	LSM-42750		71712226	InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1	LHGUZCKPFXXVPV-GOSISDBHSA-N	CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n2c(C)c(C(=O)NCC3=C(OC)C=C(C)NC3=O)c4ccccc24	PCCSE	PCCSE_CPI-169	CPI-169	MedChem Express	HY-15956A	14081					528.240640982							131155
Curcumin	LSM-43083	SID91276; SID56422380; SID855880	969516	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	VFLDPWHFBUODDF-FCXRPNKRSA-N	COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O	PCCSE	PCCSE_curcumin	curcumin	MedChem Express	HY-N0005	9276					368.12598836							3962, 3962
Dactolisib	LSM-4255	Dactolisib; NVP-BEZ-235; NVP-BEZ235; NVP-BEZ235-NX; BEZ-235	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	PCCSE	PCCSE_dactolisib	dactolisib	MedChem Express	HY-50673	3189					469.190260406							71952, 71952, 71952
Decitabine	LSM-5855	5-Aza-2'-Deoxycytidine(Cas 2353-33-5); Dacogen; Decitabine	451668	InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1	XAUDJQYHKZQPEU-KVQBGUIXSA-N	NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2	PCCSE	PCCSE_decitabine	decitabine	Calbiochem	189825	MKBR6437V					228.085854904							50131
Dexamethasone	LSM-5512	Dexone; Fluormethylprednisolone; Hexadrol; Maxidex; Mymethasone; Neodecadron; Ozurdex; Dalalone; Decaderm; Decadron; Decaspray; Dexacort; Dexair; Dexamethasone; Dexone 0.5; Dexone 0.75; Dexone 1.5; Dexone 4; Dexacen-4; Dexamethasone Intensol; Dexamethasone Metasulfobenzoate Sodium; Dexamethasone Palmitate; Dexamethasone Valerate; Kortico Injection; Aeroseb-Dex; Decadron-LA	5743	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	UREBDLICKHMUKA-CXSFZGCWSA-N	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	PCCSE	PCCSE_dexamethasone	dexamethasone	Sigma-Aldrich	D1756-25MG	BCBM4557V					392.199902228							41879
Dinaciclib	LSM-6306	Dinaciclib; MK-7965; SCH-727965	46926350	InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PIMQWRZWLQKKBJ-SFHVURJKSA-N	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCC[C@H]4CCO	PCCSE	PCCSE_Dinaciclib	Dinaciclib	MedChem Express	HY-10492	14760					396.227374196							95060
Dimethyl Sulfoxide	LSM-36361	(Methylsulfinyl)methane; DMSO; Dmso	679	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	IAZDPXIOMUYVGZ-UHFFFAOYSA-N	CS(=O)C	PCCSE	PCCSE_DMSO	DMSO	Sigma-Aldrich	D4540-100ML	51596BPV					78.013935502							28262
EPZ004777	LSM-36364		56962336	InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1	WXRGFPHDRFQODR-ICLZECGLSA-N	CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc4c(N)ncnc34	PCCSE	PCCSE_EPZ004777	EPZ004777	MedChem Express	HY-15555	11118					539.322002862							124920
EPZ-5676	LSM-36363		57345410	InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1	LXFOLMYKSYSZQS-XKHGBIBOSA-N	CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C4CC(CCc5nc6ccc(cc6[nH]5)C(C)(C)C)C4	PCCSE	PCCSE_EPZ-5676	EPZ-5676	MedChem Express	HY-15593	9031					562.337987284							124919
EPZ005687	LSM-36366	EPZ-5687	60160561	InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)	ZOIBZSZLMJDVDQ-UHFFFAOYSA-N	CC1=CC(=C(CNC(=O)c2cc(cc3c2cnn3C4CCCC4)c5ccc(CN6CCOCC6)cc5)C(=O)N1)C	PCCSE	PCCSE_EPZ-5687	EPZ-5687	MedChem Express	HY-15227	10126					539.289640094							124922
Etoposide	LSM-6348	Vepesid; Toposar; Etoposide; 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	PCCSE	PCCSE_Etoposide	Etoposide	MedChem Express	HY-13629	11793					588.184291084							4911
Everolimus	LSM-43172	Zortress; Afinitor; Everolimus; RAD001; Afinitor Disperz	6442177	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-GKUWKFKPSA-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	PCCSE	PCCSE_Everolimus	Everolimus	MedChem Express	HY-10218	14965					957.581356346001							68478
EX527	LSM-36370	SID124391161; EX-527	5113032	InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	FUZYTVDVLBBXDL-UHFFFAOYSA-N	NC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23	PCCSE	PCCSE_EX527	EX527	MedChem Express	HY-15452	14504					248.071640766							90369
Exifone	LSM-37157	Exifone	40399	InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H	XEDWWPGWIXPVRQ-UHFFFAOYSA-N	Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O	PCCSE	PCCSE_Exifone	Exifone	TCI America	H1065	X5AVD-LI					278.04265266							125609
Alvocidib	LSM-1011	Flavopiridol; Alvocidib; NSC-649890; MDL-107826A; L-868275; L-86-8275; HMR-1275; HL-275	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	PCCSE	PCCSE_flavopiridol	flavopiridol	MedChem Express	HY-10005	889					401.10300046							47344, 47344
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	PCCSE	PCCSE_geldanamycin	geldanamycin	MedChemExpress	HY-15230	5894					560.27338088							5292
Ginkgetin	LSM-42758	Ginkgetin	5271805	InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3	AIFCFBUSLAEIBR-UHFFFAOYSA-N	COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(OC)c(c3)c4c(O)cc(O)c5C(=O)C=C(Oc45)c6ccc(O)cc6	PCCSE	PCCSE_Ginkgetin	Ginkgetin	Quality Phytochemicals	QP-259	TJP14102804					566.121296904							5353, 5353
Gossypetin	LSM-36971	Articulatidin; Equisporol; Gossypetin	5280647	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H	YRRAGUMVDQQZIY-UHFFFAOYSA-N	OC1=C(Oc2c(O)c(O)cc(O)c2C1=O)c3ccc(O)c(O)c3	PCCSE	PCCSE_Gossypetin	Gossypetin	Quality Phytochemicals	QP-287	IND0000451					318.03756728							16400
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	PCCSE	PCCSE_GSK1210151A	GSK1210151A	MedChem Express	HY-13235	8318					415.164439582							95083
GSK126	LSM-36365		68210102	InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1	FKSFKBQGSFSOSM-QFIPXVFZSA-N	CC[C@H](C)n1cc(C)c2c(cc(cc12)c3ccc(nc3)N4CCNCC4)C(=O)NCC5=C(C)C=C(C)NC5=O	PCCSE	PCCSE_gsk126	gsk126	MedChem Express	HY-13470	10319					526.305624516							124921
GSK 525762A	LSM-6334	GSK525762A; 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	PCCSE	PCCSE_GSK525762A	GSK525762A	MedChem Express	HY-13032	9919					423.146202704							95082
GSK J4	LSM-6328	GSK-J4	71729975	InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)	WBKCKEHGXNWYMO-UHFFFAOYSA-N	CCOC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3	PCCSE	PCCSE_GSK-J4	GSK-J4	Sigma-Aldrich	SML0701-5MG	053M4601V					417.216475154							95077
Duvelisib	LSM-42769	Duvelisib,ipi-145; Duvelisib; IPI145; INK-1147; INK-1197; IPI-145	50905713	InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	SJVQHLPISAIATJ-ZDUSSCGKSA-N	C[C@H](Nc1ncnc2nc[nH]c12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5	PCCSE	PCCSE_IPI145	IPI145	MedChem Express	HY-17044	8367					416.115236934							131169
1268524-70-4	LSM-6332	JQ1-S; (S)-Jq1; (+)-Jq1	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	PCCSE	PCCSE_JQ1-S	JQ1-S	DFCI - Bradner Lab		Batch 8					456.13867448							95080
KN-62	LSM-42755	KN-62	5312126	InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	RJVLFQBBRSMWHX-DHUJRADRSA-N	CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N4CCN(CC4)c5ccccc5)S(=O)(=O)c6cccc7cnccc67	PCCSE	PCCSE_KN-62	KN-62	MedChem Express	HY-13290	9278					721.20287527							131159
KN93	LSM-42804	KN-93	5312122	InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+	LLLQTDSSHZREGW-AATRIKPKSA-N	COc1ccc(cc1)S(=O)(=O)N(CCO)c2ccccc2CN(C)C\C=C\c3ccc(Cl)cc3	PCCSE	PCCSE_KN-93	KN-93	MedChem Express	HY-15465	7701					500.153655828							91460
KU-55933	LSM-1074	KU 55933; KU-55933; Sigmaku-22933	5278396	InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2	XRKYMMUGXMWDAO-UHFFFAOYSA-N	O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5	PCCSE	PCCSE_KU-55933	KU-55933	MedChem Express	HY-12016	4906					395.064984794							91372
Lenalidomide	LSM-6187	Lenalidomide; Revlimid; CC-5013; CDC-501	216326	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	GOTYRUGSSMKFNF-UHFFFAOYSA-N	Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O	PCCSE	PCCSE_lenalidomide	lenalidomide	MedChem Express	HY-A0003	7964					259.095691306							63791
Losmapimod	LSM-42767	Losmapimod; Gskahab; GW856553X; GW856553	11552706	InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)	KKYABQBFGDZVNQ-UHFFFAOYSA-N	Cc1c(F)cc(cc1c2ccc(cn2)C(=O)NCC(C)(C)C)C(=O)NC3CC3	PCCSE	PCCSE_losmapimod	losmapimod	MedChem Express	HY-10402	12714					383.200905302							131167
LY-294002	LSM-2597	LY-294002; LY 294002; LY294002	3973	InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	CZQHHVNHHHRRDU-UHFFFAOYSA-N	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4	PCCSE	PCCSE_LY-294002	LY-294002	MedChem Express	HY-10108	6536					307.120843414							65329, 65329
CHEMBL3347630	LSM-43292	Methylstat; RVE-VIII-4	53392493	InChI=1S/C28H31N3O6/c1-36-27(33)16-15-26(32)31(35)18-5-4-17-29-19-21-11-13-22(14-12-21)20-37-28(34)30-25-10-6-8-23-7-2-3-9-24(23)25/h2-3,6-16,29,35H,4-5,17-20H2,1H3,(H,30,34)/b16-15+	MUJOCHRZXRZONW-FOCLMDBBSA-N	COC(=O)\C=C\C(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1	PCCSE	PCCSE_methylstat	methylstat	Sigma-Aldrich	SML0343-5MG	093M4616V					505.221285742							
Momelotinib	LSM-1141	Momelotinib; GS-0387; CYT387; CYT-387; CYT-11387	25062766	InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)	ZVHNDZWQTBEVRY-UHFFFAOYSA-N	O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2	PCCSE	PCCSE_momelotinib	momelotinib	MedChem Express	HY-10961	3446					414.180424004							91407, 91407
Entinostat	LSM-4811	Entinostat; MS-275; SNDX-275	4261	InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	INVTYAOGFAGBOE-UHFFFAOYSA-N	Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2	PCCSE	PCCSE_MS-275	MS-275	Sigma-Aldrich	M5568	8368					376.15354054							132082, 132082
Niclosamide	LSM-2787	Lintex; Niclocide; Niclosamide; Nicloside; Yomesan; BAY-2353; Ex A Lint	4477	InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)	RJMUSRYZPJIFPJ-UHFFFAOYSA-N	Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]	PCCSE	PCCSE_niclosamide	niclosamide	MedChem Express	HY-B0497	13073					325.986112176							92630
Nilotinib	LSM-1099	Nilotinib; AMN-107	644241	InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	HHZIURLSWUIHRB-UHFFFAOYSA-N	Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F	PCCSE	PCCSE_Nilotinib	Nilotinib	MedChem Express	HY-10159	11333					529.183792994							52172, 52172
Okadaic acid	LSM-44932		446512	InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1	QNDVLZJODHBUFM-WFXQOWMNSA-N	C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C	PCCSE	PCCSE_Okadaic Acid	Okadaic Acid	Santa Cruz Biotechnology	sc-3513A	B1115					804.465992236001							44658
Olaparib	LSM-1145	Olaparib; AZD2281(OLAPARIB); AZD-2281; AZD2281	23725625	InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	FDLYAMZZIXQODN-UHFFFAOYSA-N	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5	PCCSE	PCCSE_Olaparib	Olaparib	MedChem Express	HY-10162	4350					434.175418836							83766
OSI-027	LSM-42787		44224160	InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12H,5-8,22H2,1H3,(H,23,24)(H,28,29)/b17-14-	CDNMDRUIGNHEMR-VKAVYKQESA-N	COC1=CC=CC2=C\C(=C/3\N=C(C4CCC(CC4)C(=O)O)N5NC=NC(=C35)N)\N=C12	PCCSE	PCCSE_OSI-027	OSI-027	MedChem Express	HY-10423	4583					406.175338624							
Pazopanib	LSM-1114	Pazopanib; GW786034	10113978	InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)	CUIHSIWYWATEQL-UHFFFAOYSA-N	CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3	PCCSE	PCCSE_Pazopanib	Pazopanib	MedChem Express	HY-10208	12912					437.163393736							71219, 71219
PD-0325901	LSM-1101	PD0325901; PD-0325901	9826528	InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	SUDAHWBOROXANE-SECBINFHSA-N	OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F	PCCSE	PCCSE_PD0325901	PD0325901	MedChem Express	HY-10254	3247					481.995034548							88249
Palbociclib	LSM-1071	Palbociclib; PD-0332991	5330286	InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	AHJRHEGDXFFMBM-UHFFFAOYSA-N	CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O	PCCSE	PCCSE_PD-0332991	PD-0332991	MedChem Express	HY-50767	11480					447.238273238							85993, 85993
Pravastatin	LSM-3347	Pravastatin; Pravachol; BRD-K60511616	54687	InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1	TUZYXOIXSAXUGO-PZAWKZKUSA-N	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12	PCCSE	PCCSE_Pravastatin	Pravastatin	MedChem Express	HY-B0165A	10943					424.246103492							63618, 63618
ICG-001	LSM-6267	PRI-724; BRD-K73261812	11238147	InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1	HQWTUOLCGKIECB-XZWHSSHBSA-N	Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1	PCCSE	PCCSE_PRI-724	PRI-724	MedChem Express	HY-14428	4362					548.242355544							95032
PS-1145	LSM-5975	PS-1145; IKK-Inhibitor-X	9949093	InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)	JZRMBDHPALEPDM-UHFFFAOYSA-N	Clc1cc(NC(=O)c2cccnc2)c3[nH]c4cnccc4c3c1	PCCSE	PCCSE_PS-1145	PS-1145	Cayman Chemicals	14862	0457246-11					322.062138722							94801
Resveratrol	LSM-42917	501-36-0; 3,5,4'-Trihydroxy-Trans-Stilbene; Resveratrol; (E)-Resveratrol	445154	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	LUKBXSAWLPMMSZ-OWOJBTEDSA-N	Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1	PCCSE	PCCSE_resveratrol	resveratrol	Sigma-Aldrich	R5010	SLBG2022V					228.078644244							45713
RGFP966	LSM-44933		56650312	InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+	BLVQHYHDYFTPDV-VCABWLAWSA-N	Nc1cc(F)ccc1NC(=O)\C=C\c2cnn(C\C=C\c3ccccc3)c2	PCCSE	PCCSE_RGFP966	RGFP966	MedChem Express	HY-13909	9664					362.154289468							
RO4929097	LSM-42762		49867930	InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1	OJPLJFIFUQPSJR-INIZCTEOSA-N	CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2c3ccccc13	PCCSE	PCCSE_RO4929097	RO4929097	MedChem Express	HY-11102	13657					469.14248253							86474
Rolipram	LSM-1471	Rolipram; ZK-62771; ZK-62711	5092	InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	HJORMJIFDVBMOB-UHFFFAOYSA-N	COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3	PCCSE	PCCSE_Rolipram	Rolipram	Santa Cruz Biotechnology	sc-3563	C0415					275.152143542							104872
Seliciclib	LSM-1001	Roscovitine; Seliciclib; AL-39256; CYC-202; Roscovitine(Cyc202)	160355	InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1	PCCSE	PCCSE_Roscovitine	Roscovitine	MedChem Express	HY-30237	1603					354.216809512							45307
Ruxolitinib	LSM-1139	Ruxolitinib; INCB-018424; INCB018424(RUXOLITINIB)	25126798	InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	HFNKQEVNSGCOJV-OAHLLOKOSA-N	N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34	PCCSE	PCCSE_ruxolitinib	ruxolitinib	MedChem Express	HY-50856	10812					306.159294636							66919, 66919
Salermide	LSM-5123	Salermide	53393948	InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+	HQSSEGBEYORUBY-WPWMEQJKSA-N	CC(C(=O)Nc1cccc(c1)\N=C\c2c(O)ccc3ccccc23)c4ccccc4	PCCSE	PCCSE_salermide	salermide	Sigma-Aldrich	S8825-5MG	114M4612V					394.168127964							
SCH900776	LSM-42765	SCH 900776	16224745	InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3	GMIZZEXBPRLVIV-UHFFFAOYSA-N	Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)C4CCCNC4	PCCSE	PCCSE_SCH 900776	SCH 900776	MedChem Express	HY-15532	8876					375.080706246							131165
Selumetinib	LSM-1056	Selumetinib; ARRY-142886; ARRY-886; AZD-6244	10127622	InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	CYOHGALHFOKKQC-UHFFFAOYSA-N	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO	PCCSE	PCCSE_Selumetinib	Selumetinib	MedChem Express	HY-50706	14001					456.00000889							90227, 90227
Semagacestat	LSM-42753	Semagacestat; Semagacestat (Ly450139); LY-450139	9843750	InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PKXWXXPNHIWQHW-RCBQFDQVSA-N	CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc12	PCCSE	PCCSE_semagacestat	semagacestat	MedChem Express	HY-10009	2048					361.200156374							131158
Sirolimus	LSM-42782	Sirolimus; Rapamycin; Rapamune; GSK-3-Inhibitor-IX; WY-090217; AY-22989		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/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	QFJCIRLUMZQUOT-HPLJOQBZSA-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]1O	PCCSE	PCCSE_sirolimus	sirolimus	MedChem Express	HY-10219	4824					913.555141598001							9168
67200-34-4	LSM-42773	Smer 3; Smer-3	568763	InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H	SFSSAKVWCKFRHE-UHFFFAOYSA-N	O=C1c2ccccc2c3nc4nonc4nc13	PCCSE	PCCSE_SMER-3	SMER-3	Sigma-Aldrich	S7826-5MG	090M4620V					224.033425408							131171
Sotrastaurin	LSM-42761	Sotrastaurin; Sotrastaurin (Aeb071); AEB-071; NVP-AEB071	10296883	InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)	OAVGBZOFDPFGPJ-UHFFFAOYSA-N	CN1CCN(CC1)c2nc(C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45)c6ccccc6n2	PCCSE	PCCSE_sotrastaurin	sotrastaurin	MedChem Express	HY-10343	2673					438.180424004							90531, 90531
Pyrazolanthrone	LSM-1163	SP600125	8515	InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	ACPOUJIDANTYHO-UHFFFAOYSA-N	O=C1c2ccccc2c3n[nH]c4cccc1c34	PCCSE	PCCSE_SP600125	SP600125	MedChem Express	HY-12041	12858					220.063662896							90695
Staurosporine	LSM-1103	SID26755745; SID26755744	44259	InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	HKSZLNNOFSGOKW-FYTWVXJKSA-N	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35	PCCSE	PCCSE_staurosporine	staurosporine	Sigma	S4400-.5MG	044M4113V					466.200490732							15738, 15738
Tacrolimus	LSM-43009	Tacrolimus; Protopic; Prograf; FR-900506; FK-506; Tacrolimus Hydrate	445643	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	QJJXYPPXXYFBGM-LFZNUXCKSA-N	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC	PCCSE	PCCSE_tacrolimus	tacrolimus	MedChem Express	HY-13756	11694					803.481976658							61049
Tetrabromobenzotriazole	LSM-4192	4,5,6,7-Tetrabromobenzotriazole; Tbb; CK2 Inhibitor (CASEIN Kinase II Inhibitor)	1694	InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)	OMZYUVOATZSGJY-UHFFFAOYSA-N	Brc1c(Br)c(Br)c2[nH]nnc2c1Br	PCCSE	PCCSE_TBB	TBB	MedChem Express	HY-14394	7804					430.690397462							
Fedratinib	LSM-1142	Fedratinib; TG 101348; TG-101348; TG101348; SAR-302503	16722836	InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)	JOOXLOJCABQBSG-UHFFFAOYSA-N	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C	PCCSE	PCCSE_TG101348	TG101348	MedChem Express	HY-10409	8393					524.256959762							91408
Tofacitinib	LSM-1227	Tasocitinib; Tofacitinib; CP-690; CP-690550	9926791	InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	UJLAWZDWDVHWOW-YPMHNXCESA-N	C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N	PCCSE	PCCSE_Tofacitinib	Tofacitinib	MedChem Express	HY-40354	3330					312.16985932							71200, 71200
Tretinoin	LSM-42854	Atralin; Vesanoid; Tretinoin; Avita; Renova; Tretin-X; Retin-A Micro; Retin-A	444795	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	SHGAZHPCJJPHSC-YCNIQYBTSA-N	C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C	PCCSE	PCCSE_tretinoin	tretinoin	Sigma-Aldrich	R2625-50MG	SLBB5473V					300.208930136							15367, 15367
Trichostatin	LSM-43005	GNF-PF-1011; Trichostatin A; 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	PCCSE	PCCSE_trichostatin A	trichostatin A	Sigma-Aldrich	T8552	054M4039V					302.163042584							46024
UNC-0321	LSM-4942	UNC0321; SID124898762	46901937	InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)	AULLUGALUBVBDD-UHFFFAOYSA-N	COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N4CCCN(C)CC4	PCCSE	PCCSE_UNC-0321	UNC-0321	CalBioChem	476496-5MG	D00166833					515.35838837							94307
UNC0646	LSM-36368	UNC-0646	53315882	InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)	OUKWLRHRXOPODD-UHFFFAOYSA-N	COc1cc2c(NC3CCN(CC3)C4CCCCC4)nc(nc2cc1OCCCN5CCCCC5)N6CCCN(CC6)C(C)C	PCCSE	PCCSE_UNC-0646	UNC-0646	Sigma-Aldrich	SML0633-5MG	023M4619V					621.473024198							124924
UNC1215	LSM-6338		57339144	InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2	PQOOIERVZAXHBP-UHFFFAOYSA-N	O=C(N1CCC(CC1)N2CCCC2)c3ccc(C(=O)N4CCC(CC4)N5CCCC5)c(Nc6ccccc6)c3	PCCSE	PCCSE_UNC1215	UNC1215	MedChem Express	HY-15649	9810					529.341675666							95086
Vemurafenib	LSM-1068	Vemurafenib; Zelboraf; PLX-4032; RG-7204; RO-5185426	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	PCCSE	PCCSE_vemurafenib	vemurafenib	MedChem Express	HY-12057	11370					489.072546266							63637
CID 91122153	LSM-44934	Verteporfin	91122153	InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/t38-,41+/m0/s1	YTZALCGQUPRCGW-ZSFNYQMMSA-N	COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)O)c5C)C(=C4C)C=C)C6=CC=C([C@@H](C(=O)OC)[C@@]36C)C(=O)OC	PCCSE	PCCSE_Verteporfin	Verteporfin	MedChem Express	HY-B0146	12181					718.300264344							
Vorinostat	LSM-3828	Vorinostat; Zolinza; N1-Hydroxy-N8-Phenyloctanediamide Cali-011-1	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	PCCSE	PCCSE_vorinostat	vorinostat	Sigma-Aldrich	SML0061	113M4752V					264.14739252							45716
CHEMBL492797	LSM-42752	VU0155056; N-(2-(4-(2-Oxo-2,3-Dihydro-1H-Benzo[D]Imidazol-1-yl)Piperidin-1-yl)Ethyl)-2-Naphthamide Vu0155056-3	25105704	InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)	IXLLRNNFUYEADZ-UHFFFAOYSA-N	O=C(NCCN1CCC(CC1)N2C(=O)Nc3ccccc23)c4ccc5ccccc5c4	PCCSE	PCCSE_VU0155056	VU0155056	Avant Polar Lipids	857370	5W0-10					414.205576112							131157, 131157, 131157
VE-822	LSM-42766	VX-970; VX-970	59472121	InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)	JZCWLJDSIRUGIN-UHFFFAOYSA-N	CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)C	PCCSE	PCCSE_VX-970	VX-970	MedChem Express	HY-13902	12295					463.1678104							131166
Zebularine	LSM-36362	Zebularine	100016	InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1	RPQZTTQVRYEKCR-WCTZXXKLSA-N	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=NC2=O	PCCSE	PCCSE_zebularine	zebularine	Sigma-Aldrich	Z4775-5MG	102M4610V					228.074621504							46938
