smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c(Cl)cc(Cl)c([O-])c2Cl)[nH]1	ZINC000107909444	655126197	/nfs/dbraw/zinc/12/61/97/655126197.db2.gz	HPIRMZZUAUMQEN-OWOJBTEDSA-N	-2	0	378.555	2.808	40	5		GFBBRL
COC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000034721693	570210000	/nfs/dbraw/zinc/21/00/00/570210000.db2.gz	MQNVUFITTNEHSM-CLFYSBASSA-N	-2	0	383.316	2.601	40	5		GFBBRL
O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000001669795	570326257	/nfs/dbraw/zinc/32/62/57/570326257.db2.gz	YKEZWGMBLVPRBW-UHFFFAOYSA-N	-2	0	388.357	2.953	40	5		GFBBRL
O=C([O-])c1cc([N+](=O)[O-])c(Sc2ccc([N+](=O)[O-])c([O-])c2)c([N+](=O)[O-])c1	ZINC000100933265	208382510	/nfs/dbraw/zinc/38/25/10/208382510.db2.gz	KQSHLOHIZYYTBI-UHFFFAOYSA-N	-2	0	381.278	2.966	40	5		GFBBRL