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
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	DToxS	ALP	ALP1	MedChem Express	HY-15244/CS-0663	6192					441.144630284	0		0	0			93752
Palbociclib	LSM-1071	Palbociclib; PD0332991; PD-0332991; PF-0008066573; PD-03329910054; Palbociclib (pd-0332991) HCL; Palbociclib Isethionate	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	DToxS	PAL	PAL1	MedChem Express	HY-50767/CS-0019	16349					447.238273238	0		0	0			85993
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	DToxS	TRA	TRA1	MedChem Express	HY-10999/CS-0060	7378					615.077875466	0		0	0			75991, 75998
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	DToxS	VOR	VOR1	MedChem Express	HY-10221/CS-0589	9386					264.14739252	0		0	0			45716
