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-])c1ccc(COc2ccc(Cl)cc2/C=N/[O-])cc1 ZINC000409069644 434595537 /nfs/dbraw/zinc/59/55/37/434595537.db2.gz MECSEJXUANHXRI-CAOOACKPSA-N -2 1 305.717 3.425 40 30 DGEBML