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-])c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O ZINC000031158571 304226073 /nfs/dbraw/zinc/22/60/73/304226073.db2.gz JGHTWRZCNLXYPF-UHFFFAOYSA-N -4 2 334.667 1.930 40 10 biogenic,in-vitro EDCBLL