smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000514299647	1059174550	/nfs/dbraw/zinc/17/45/50/1059174550.db2.gz	IOGZSMBTPVLANX-UHFFFAOYSA-N	0	2	519.985	2.777	20	5		KFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCCN2CCCCCC2=O)cc1	ZINC000514300886	1059188884	/nfs/dbraw/zinc/18/88/84/1059188884.db2.gz	RSBMWJZJACSBGG-UHFFFAOYSA-N	0	2	504.565	2.927	20	5		KFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000514387771	1059325962	/nfs/dbraw/zinc/32/59/62/1059325962.db2.gz	LLUVMKJWSQFBPO-BGYRXZFFSA-N	0	2	573.672	2.667	20	5		KFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1	ZINC000514387772	1059326005	/nfs/dbraw/zinc/32/60/05/1059326005.db2.gz	LLUVMKJWSQFBPO-PMACEKPBSA-N	0	2	573.672	2.667	20	5		KFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000514387773	1059325923	/nfs/dbraw/zinc/32/59/23/1059325923.db2.gz	LLUVMKJWSQFBPO-WOJBJXKFSA-N	0	2	573.672	2.667	20	5		KFBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1	ZINC000514389242	1059335567	/nfs/dbraw/zinc/33/55/67/1059335567.db2.gz	DNRXJFPSJBRHQY-UHFFFAOYSA-N	0	2	559.645	2.565	20	5		KFBDLN