smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COCC[N+]1(CCOCC(=O)[O-])CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000077285525	569705355	/nfs/dbraw/zinc/70/53/55/569705355.db2.gz	VKPYANPWHPCCJM-VWLOTQADSA-O	-1	0	491.992	2.764	10	5	in-vitro	JFBERM
O=C([O-])COCC[N+]1(CCOCC(=O)[O-])CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000077285529	569705345	/nfs/dbraw/zinc/70/53/45/569705345.db2.gz	VKPYANPWHPCCJM-RUZDIDTESA-O	-1	0	491.992	2.764	10	5	in-vitro	JFBERM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000020582971	555836219	/nfs/dbraw/zinc/83/62/19/555836219.db2.gz	CGSHQFOANCAMCM-UHFFFAOYSA-N	-1	0	465.444	2.543	10	5		JFBERM
O=C1[N-]C(=O)C(c2ccc(-c3ccccc3)cc2)(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1	ZINC000033975062	563111477	/nfs/dbraw/zinc/11/14/77/563111477.db2.gz	NJKTYSXXGARILV-UHFFFAOYSA-N	-1	0	485.500	2.645	10	5		JFBERM