smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000547869483	542469413	/nfs/dbraw/zinc/46/94/13/542469413.db2.gz	KJODNRQYWQAPLO-UHFFFAOYSA-N	-2	2	366.307	1.792	20	5		FDBDLL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000833746690	605152206	/nfs/dbraw/zinc/15/22/06/605152206.db2.gz	GNJFTCSJVUHBLB-UHFFFAOYSA-N	-2	2	359.341	1.564	20	5		FDBDLL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000128939464	173123323	/nfs/dbraw/zinc/12/33/23/173123323.db2.gz	DJZJGCXXHXPZNJ-UHFFFAOYSA-N	-2	2	360.355	1.884	20	5		FDBDLL
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1[N+](=O)[O-]	ZINC000583104241	551304323	/nfs/dbraw/zinc/30/43/23/551304323.db2.gz	RIBKSLMOCYUGOC-UHFFFAOYSA-N	-3	2	368.323	1.808	20	5		FDBDLL