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[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009330129	207266996	/nfs/dbraw/zinc/26/69/96/207266996.db2.gz	JNVZXBRAGGTWLW-GXSJLCMTSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101001299	209220175	/nfs/dbraw/zinc/22/01/75/209220175.db2.gz	CQOUUWHVVWVIEL-GXSJLCMTSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000013711934	211052253	/nfs/dbraw/zinc/05/22/53/211052253.db2.gz	CQOUUWHVVWVIEL-ONGXEEELSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101001293	222259928	/nfs/dbraw/zinc/25/99/28/222259928.db2.gz	CQOUUWHVVWVIEL-MWLCHTKSSA-N	-2	1	361.270	0.369	50	5		FCBAML
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000036341704	487800594	/nfs/dbraw/zinc/80/05/94/487800594.db2.gz	MAZZOIKBKCKRDP-UHFFFAOYSA-N	-2	1	373.368	0.749	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100998793	222259651	/nfs/dbraw/zinc/25/96/51/222259651.db2.gz	JNVZXBRAGGTWLW-KOLCDFICSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101001296	222259945	/nfs/dbraw/zinc/25/99/45/222259945.db2.gz	CQOUUWHVVWVIEL-KOLCDFICSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009330130	487524875	/nfs/dbraw/zinc/52/48/75/487524875.db2.gz	JNVZXBRAGGTWLW-ONGXEEELSA-N	-2	1	361.270	0.369	50	5		FCBAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100998792	222259545	/nfs/dbraw/zinc/25/95/45/222259545.db2.gz	JNVZXBRAGGTWLW-MWLCHTKSSA-N	-2	1	361.270	0.369	50	5		FCBAML
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036748154	487803011	/nfs/dbraw/zinc/80/30/11/487803011.db2.gz	SKPUVNXZIODTRI-UHFFFAOYSA-N	-2	1	373.368	0.749	50	5		FCBAML