smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)cc(C(=O)[O-])c1C1=C([O-])C(=O)c2c(O)cccc2C1=O ZINC000013369998 506941849 /nfs/dbraw/zinc/94/18/49/506941849.db2.gz PBKZJIMGHNPKBJ-UHFFFAOYSA-N -2 1 354.314 2.756 40 30 biogenic,in-vitro FFEBML