smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc21	ZINC000159694382	524722459	/nfs/dbraw/zinc/72/24/59/524722459.db2.gz	SEAMYRDLXFCAHJ-MEBBXXQBSA-N	0	2	350.378	1.980	10	70		FDIELN
CCc1cc(=O)n2nc(N(C)Cc3nc(=O)c4sccc4[nH]3)sc2n1	ZINC000160583461	524922017	/nfs/dbraw/zinc/92/20/17/524922017.db2.gz	OCZKZLZBUZXKKP-UHFFFAOYSA-N	0	2	374.451	1.648	10	70		FDIELN
C[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)[nH+]cn2)C1	ZINC000160783609	524969828	/nfs/dbraw/zinc/96/98/28/524969828.db2.gz	KREIYTDYFGKLQJ-DOTOQJQBSA-N	0	2	372.517	1.631	10	70		FDIELN
Cc1c(CS(=O)(=O)c2nc3ccccc3[nH]2)nccc1S(C)(=O)=O	ZINC000218394962	537463070	/nfs/dbraw/zinc/46/30/70/537463070.db2.gz	QQCSDGJNWMIXOY-UHFFFAOYSA-N	0	2	365.436	1.644	10	70		FDIELN
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCc2cc(=O)[nH]o2)CC1	ZINC000217883015	537456947	/nfs/dbraw/zinc/45/69/47/537456947.db2.gz	GYSPSLAAGTYOGH-UHFFFAOYSA-N	0	2	353.419	1.664	10	70		FDIELN
CC1(C)C[C@@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc2O1	ZINC000159786729	524739726	/nfs/dbraw/zinc/73/97/26/524739726.db2.gz	MCQMTNYTDTXLEB-CYBMUJFWSA-N	0	2	366.377	1.644	10	70		FDIELN
C[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)[nH+]cn2)C1	ZINC000160783496	524970108	/nfs/dbraw/zinc/97/01/08/524970108.db2.gz	KREIYTDYFGKLQJ-NVXWUHKLSA-N	0	2	372.517	1.631	10	70		FDIELN
CC1(C)C[C@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc2O1	ZINC000159786596	524739290	/nfs/dbraw/zinc/73/92/90/524739290.db2.gz	MCQMTNYTDTXLEB-ZDUSSCGKSA-N	0	2	366.377	1.644	10	70		FDIELN
C[C@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc21	ZINC000159694523	524722920	/nfs/dbraw/zinc/72/29/20/524722920.db2.gz	SEAMYRDLXFCAHJ-ZUZCIYMTSA-N	0	2	350.378	1.980	10	70		FDIELN
C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc21	ZINC000159694113	524723226	/nfs/dbraw/zinc/72/32/26/524723226.db2.gz	SEAMYRDLXFCAHJ-BMIGLBTASA-N	0	2	350.378	1.980	10	70		FDIELN
C[C@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c2ccccc21	ZINC000159694256	524722552	/nfs/dbraw/zinc/72/25/52/524722552.db2.gz	SEAMYRDLXFCAHJ-BONVTDFDSA-N	0	2	350.378	1.980	10	70		FDIELN