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-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1O ZINC000013761290 563005148 /nfs/dbraw/zinc/00/51/48/563005148.db2.gz NQFVPOFMUFVABT-SNAWJCMRSA-N -1 2 436.207 4.439 1 5 IIBFLM