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(C=Cc2ccc(-c3ccc(F)cc3F)o2)nc([O-])c1[N+](=O)[O-] ZINC000408598876 570569158 /nfs/dbraw/zinc/56/91/58/570569158.db2.gz CAOYYIQQHCKLEH-ZZXKWVIFSA-N -2 1 361.260 3.505 40 5 FHBBML