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(Oc2ccc(Cl)cc2[O-])o1 ZINC000095604520 185015613 /nfs/dbraw/zinc/01/56/13/185015613.db2.gz GTKUURARXBEOSA-UHFFFAOYSA-N -2 1 254.625 3.129 1 0 CGAFML