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](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000020545779	392504233	/nfs/dbraw/zinc/50/42/33/392504233.db2.gz	IVRFKAUYGBXKDI-IMTBSYHQSA-N	-2	3	304.280	-0.293	10	5		DBBEHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000020545781	392151741	/nfs/dbraw/zinc/15/17/41/392151741.db2.gz	IVRFKAUYGBXKDI-RCOVLWMOSA-N	-2	3	304.280	-0.293	10	5		DBBEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000020545778	392152422	/nfs/dbraw/zinc/15/24/22/392152422.db2.gz	IVRFKAUYGBXKDI-HZGVNTEJSA-N	-2	3	304.280	-0.293	10	5		DBBEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000042266326	393736781	/nfs/dbraw/zinc/73/67/81/393736781.db2.gz	IXDFEOSNOCXTHL-MLUIRONXSA-N	-2	3	322.270	-0.154	10	5		DBBEHL
Nc1nnc(S(=O)(=O)C=C([O-])c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000057341322	184033951	/nfs/dbraw/zinc/03/39/51/184033951.db2.gz	OIYRYZRVCNVCGO-UHFFFAOYSA-N	-2	3	311.279	-0.048	10	5		DBBEHL