smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1	ZINC000514385110	1066288435	/nfs/dbraw/zinc/28/84/35/1066288435.db2.gz	YXBJNALPLFWGCL-UHFFFAOYSA-N	0	2	519.580	1.687	20	5		KDBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1	ZINC000514385879	1066291857	/nfs/dbraw/zinc/29/18/57/1066291857.db2.gz	XWAMTGFELKJVQT-UHFFFAOYSA-N	0	2	517.564	1.441	20	5		KDBDLN
COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc2)C1	ZINC000514388286	1066298290	/nfs/dbraw/zinc/29/82/90/1066298290.db2.gz	MYZYOWHWJDPEMD-AWEZNQCLSA-N	0	2	513.550	1.978	20	5		KDBDLN
COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc2)C1	ZINC000514388287	1066298180	/nfs/dbraw/zinc/29/81/80/1066298180.db2.gz	MYZYOWHWJDPEMD-CQSZACIVSA-N	0	2	513.550	1.978	20	5		KDBDLN