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([O-])CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000575231718 717183878 /nfs/dbraw/zinc/18/38/78/717183878.db2.gz PEYYQHAFBKSHIX-OAQYLSRUSA-O -1 0 405.902 3.052 10 5 HGBERM O=C([O-])c1ccccc1N1C(=O)c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000003196400 568860600 /nfs/dbraw/zinc/86/06/00/568860600.db2.gz UMNGRVRCBQWZOR-UHFFFAOYSA-N -1 0 416.345 3.325 10 5 HGBERM