smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[n+]1c2cc(CN3CCOCC3)c(CN3CCOCC3)cc2n(O)c2cccc([O-])c21	ZINC000073258469	563171462	/nfs/dbraw/zinc/17/14/62/563171462.db2.gz	UYSGRCKYQDYYNW-UHFFFAOYSA-O	0	1	427.481	1.316	1	5		IDBFMN
O=C([O-])C1CC[NH+](Cc2cc3[nH]c(=O)c(=O)[nH]c3c([N+](=O)[O-])c2Br)CC1	ZINC000027759097	563046899	/nfs/dbraw/zinc/04/68/99/563046899.db2.gz	AQDIJGGSEGJNHH-UHFFFAOYSA-N	0	1	427.211	1.596	1	5		IDBFMN
O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1	ZINC000005596844	562944361	/nfs/dbraw/zinc/94/43/61/562944361.db2.gz	RSACHGINDYIKER-ADYPVIEZSA-N	0	1	442.431	1.603	1	5		IDBFMN
CC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000028963420	563070912	/nfs/dbraw/zinc/07/09/12/563070912.db2.gz	CVZHHHMZMUOKBK-UHFFFAOYSA-N	0	1	439.475	1.914	1	5		IDBFMN