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-])c1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1	ZINC000013154494	562985604	/nfs/dbraw/zinc/98/56/04/562985604.db2.gz	JHCCOKLWHJPOOK-UHFFFAOYSA-N	-2	1	441.421	3.346	50	5		IGBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000004005960	556818387	/nfs/dbraw/zinc/81/83/87/556818387.db2.gz	QHAOVPUWFQXRDO-UHFFFAOYSA-N	-2	1	441.421	3.346	50	5		IGBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002468972	569403924	/nfs/dbraw/zinc/40/39/24/569403924.db2.gz	VEVZAHKCVMPJFV-UHFFFAOYSA-N	-2	1	441.421	3.346	50	5		IGBAML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)ccc1[O-]	ZINC000012561027	527340020	/nfs/dbraw/zinc/34/00/20/527340020.db2.gz	WZNPERVMXSWISU-UHFFFAOYSA-N	-2	1	428.348	3.306	50	5		IGBAML
O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000021216879	527351667	/nfs/dbraw/zinc/35/16/67/527351667.db2.gz	LKOFNYYULBFCTD-UHFFFAOYSA-N	-2	1	431.401	3.493	50	5		IGBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1	ZINC000003995580	556818120	/nfs/dbraw/zinc/81/81/20/556818120.db2.gz	BKAKEBKEBJCSOP-UHFFFAOYSA-N	-2	1	441.421	3.346	50	5		IGBAML
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)ccc1OCC(=O)[O-]	ZINC000409415639	556641949	/nfs/dbraw/zinc/64/19/49/556641949.db2.gz	VDJVEQSPILLDKH-UHFFFAOYSA-N	-2	1	435.392	3.418	50	5		IGBAML