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
20369	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
20369	CHEMBL2136735	LSM-1152	Nintedanib	56965894	InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)	XZXHXSATPCNXJR-UHFFFAOYSA-N	COC(=O)c1ccc2c(\C(=N\c3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)c(O)[nH]c2c1	HMS_LINCS	10151	10151-101-1	Haoyuan chemexpress	HY-50904						539.253254586								91413
20369	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	10189-101	10189-101-3	Tocris	1A/122199			CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC			529.164745258					SKI-606			39112
20369	Tofacitinib	LSM-1227	550; Xeljanz; Tasocitinib; Tofacitinib; CP-690; CP-690550; CP-690550-10; Tasocitinib Citrate; Tofacitinib Citrate	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	HMS_LINCS	10226-108	10226-108-3	MedChem Express	8315			C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N			312.16985932					Tasocitinib; CP-690550; Xeljanz			71197, 71200
20369	Baricitinib	LSM-6709	Baricitinib; LY-3009104; INCB-28050; INCB-028050; Baricitinib (ly3009104, incb028050)	44205240	InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	XUZMWHLSFXCVMG-UHFFFAOYSA-N	CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34	HMS_LINCS	10354	10354-101-1	Selleck Chemicals	S2851	S285101					371.116443544								95341
20369	S-Ruxolitinib	LSM-46223		50878566	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-/m0/s1	HFNKQEVNSGCOJV-HNNXBMFYSA-N	N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34	HMS_LINCS	10385-101	10385-101-1	MedChem Express	HY-50856A	11547		N#CC[C@@H](C1CCCC1)N2C=C(C3=C4C=CNC4=NC=N3)C=N2			306.159294636000084								
