smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1[N-][N+](=O)c1nonc1N	ZINC000012428225	384319148	/nfs/dbraw/zinc/31/91/48/384319148.db2.gz	PXKYRJUTZOXSOW-KPKJPENVSA-N	0	3	212.129	-0.457	50	10		BBCAHN
C[n+]1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000057218578	188127387	/nfs/dbraw/zinc/12/73/87/188127387.db2.gz	ALMUHJCRDANSSK-JTQLQIEISA-O	0	3	206.225	-0.434	50	10		BBCAHN
C[n+]1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000057218579	187272759	/nfs/dbraw/zinc/27/27/59/187272759.db2.gz	ALMUHJCRDANSSK-SNVBAGLBSA-O	0	3	206.225	-0.434	50	10		BBCAHN
Nc1nonc1[N-][N+](=O)c1nonc1N	ZINC000100016485	384609331	/nfs/dbraw/zinc/60/93/31/384609331.db2.gz	PXKYRJUTZOXSOW-GHXNOFRVSA-N	0	3	212.129	-0.457	50	10		BBCAHN
Nc1nonc1[N-][N+](=O)c1nonc1N	ZINC000225401026	387941727	/nfs/dbraw/zinc/94/17/27/387941727.db2.gz	HYGRUBMRTKUWID-UHFFFAOYSA-N	0	3	213.137	-0.566	50	10		BBCAHN
CC(C)(C)[N-][N+](=O)C(CO)(CO)[N+](=O)[O-]	ZINC000225429538	387941156	/nfs/dbraw/zinc/94/11/56/387941156.db2.gz	VLAOTZYSVXQVBH-UHFFFAOYSA-N	0	3	222.221	-0.404	50	10		BBCAHN