smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1[n-]cnc1[N+](=O)[O-])C(=O)[O-]	ZINC000001590559	356983730	/nfs/dbraw/zinc/98/37/30/356983730.db2.gz	ACSLYMUBHGQOHG-VKHMYHEASA-N	-1	3	200.154	-0.728	40	5		BBBBHM
[NH3+][C@H](Cc1[n-]cnc1[N+](=O)[O-])C(=O)[O-]	ZINC000005116786	346611472	/nfs/dbraw/zinc/61/14/72/346611472.db2.gz	ACSLYMUBHGQOHG-GSVOUGTGSA-N	-1	3	200.154	-0.728	40	5		BBBBHM
Cc1ncc([N+](=O)[O-])n1CCc1nn[n-]n1	ZINC000005491010	180175694	/nfs/dbraw/zinc/17/56/94/180175694.db2.gz	HZNCSUKWSBLJHJ-UHFFFAOYSA-N	-1	3	223.196	-0.144	40	5		BBBBHM
Cc1ncc([N+](=O)[O-])n1CCc1nnn[n-]1	ZINC000005491010	180175692	/nfs/dbraw/zinc/17/56/92/180175692.db2.gz	HZNCSUKWSBLJHJ-UHFFFAOYSA-N	-1	3	223.196	-0.144	40	5		BBBBHM
[O-][N+](CCO)(CCO)c1ncnc2[n-]cnc21	ZINC000006234793	342775309	/nfs/dbraw/zinc/77/53/09/342775309.db2.gz	UJDFXVHYPPPZCS-UHFFFAOYSA-N	-1	3	239.235	-0.906	40	5	in-vitro	BBBBHM
C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000095076001	388757753	/nfs/dbraw/zinc/75/77/53/388757753.db2.gz	REHZIMFJQZJWIA-UHFFFAOYSA-N	-1	3	217.206	-0.102	40	5		BBBBHM