smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000032932358	570945276	/nfs/dbraw/zinc/94/52/76/570945276.db2.gz	SWXFEJWDOYVIGO-UHFFFAOYSA-N	-2	1	399.428	3.869	50	5		GHBAML
O=c1[n-]c(C=Cc2ccc(-c3ccccc3C(F)(F)F)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009234945	898658669	/nfs/dbraw/zinc/65/86/69/898658669.db2.gz	RIQXPCSAADVWRZ-SOFGYWHQSA-N	-2	1	393.277	3.833	50	5		GHBAML
O=c1[n-]c(C=Cc2ccccc2OCc2ccccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000016361513	221360155	/nfs/dbraw/zinc/36/01/55/221360155.db2.gz	OMYRRGHOXRZUGQ-KTKRTIGZSA-N	-2	1	399.790	3.787	50	5		GHBAML
O=c1[n-]c(C=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000033725898	570406258	/nfs/dbraw/zinc/40/62/58/570406258.db2.gz	QPYZOSBZCSTWSI-UTCJRWHESA-N	-2	1	377.715	3.607	50	5		GHBAML
O=c1[n-]c(C=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000017150132	570928551	/nfs/dbraw/zinc/92/85/51/570928551.db2.gz	QPYZOSBZCSTWSI-ZZXKWVIFSA-N	-2	1	377.715	3.607	50	5		GHBAML