smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101012667	204001407	/nfs/dbraw/zinc/00/14/07/204001407.db2.gz	SCFRDJVEDKXJOP-SCZZXKLOSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000018059870	379196879	/nfs/dbraw/zinc/19/68/79/379196879.db2.gz	OGCALFNBWPKJQV-WPRPVWTQSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009328166	211069367	/nfs/dbraw/zinc/06/93/67/211069367.db2.gz	SCFRDJVEDKXJOP-WCBMZHEXSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000009328167	211069913	/nfs/dbraw/zinc/06/99/13/211069913.db2.gz	SCFRDJVEDKXJOP-WPRPVWTQSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101012664	219113664	/nfs/dbraw/zinc/11/36/64/219113664.db2.gz	SCFRDJVEDKXJOP-PSASIEDQSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998534	219113839	/nfs/dbraw/zinc/11/38/39/219113839.db2.gz	OGCALFNBWPKJQV-SCZZXKLOSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998541	219113659	/nfs/dbraw/zinc/11/36/59/219113659.db2.gz	OGCALFNBWPKJQV-WCBMZHEXSA-N	-2	1	347.243	-0.021	50	5		EBBAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100998528	219113807	/nfs/dbraw/zinc/11/38/07/219113807.db2.gz	OGCALFNBWPKJQV-PSASIEDQSA-N	-2	1	347.243	-0.021	50	5		EBBAML