smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910723	520529808	/nfs/dbraw/zinc/52/98/08/520529808.db2.gz	AJWDXEWXJVDZPB-UFBFGSQYSA-N	-1	0	449.441	1.480	10	5		IDBERM
Cc1ccc(NC(=O)C(=O)C(=C(O)C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000109391875	569258821	/nfs/dbraw/zinc/25/88/21/569258821.db2.gz	VFRNLTRETFBOEJ-AWEZNQCLSA-N	-1	0	426.410	1.859	10	5		IDBERM
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910724	520530465	/nfs/dbraw/zinc/53/04/65/520530465.db2.gz	AJWDXEWXJVDZPB-PELKAZGASA-N	-1	0	449.441	1.480	10	5		IDBERM
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910720	520530174	/nfs/dbraw/zinc/53/01/74/520530174.db2.gz	AJWDXEWXJVDZPB-QPUJVOFHSA-N	-1	0	449.441	1.480	10	5		IDBERM
Cc1ccc(NC(=O)C(=O)C(=C(O)C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000109391876	569258764	/nfs/dbraw/zinc/25/87/64/569258764.db2.gz	VFRNLTRETFBOEJ-CQSZACIVSA-N	-1	0	426.410	1.859	10	5		IDBERM
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910721	520529986	/nfs/dbraw/zinc/52/99/86/520529986.db2.gz	AJWDXEWXJVDZPB-PRHODGIISA-N	-1	0	449.441	1.480	10	5		IDBERM