smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]c(=O)c2c(c1[N+](=O)[O-])CNC2=O	ZINC000039410381	372965845	/nfs/dbraw/zinc/96/58/45/372965845.db2.gz	CLRITWLHQNIIRF-UHFFFAOYSA-N	-1	1	209.161	-0.165	10	5		BBBEMM
O=c1c2[n-]c(=O)[nH]c(=O)c2n2c3ccccc3n12	ZINC000040176461	352479782	/nfs/dbraw/zinc/47/97/82/352479782.db2.gz	XYQXEHNAZDPDDU-UHFFFAOYSA-N	-1	1	242.194	-0.480	10	5		BBBEMM
COCCNc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040656930	174343056	/nfs/dbraw/zinc/34/30/56/174343056.db2.gz	CJKUAXLOSRSCKC-UHFFFAOYSA-N	-1	1	214.181	-0.264	10	5		BBBEMM
O=[N+]([O-])c1ccc(CNC[C@@H](O)CO)cc1[O-]	ZINC000083370062	538475868	/nfs/dbraw/zinc/47/58/68/538475868.db2.gz	CGFGTMOQANGTRY-MRVPVSSYSA-N	-1	1	242.231	-0.257	10	5		BBBEMM
Nc1cc2c(=O)[n-][nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000144642805	343137325	/nfs/dbraw/zinc/13/73/25/343137325.db2.gz	IPZYVKNASCJKLP-UHFFFAOYSA-N	-1	1	222.160	-0.293	10	5		BBBEMM