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-])C(=O)C=C([O-])c1ccc2cc3ccccc3cc2c1 ZINC000028645817 171568386 /nfs/dbraw/zinc/56/83/86/171568386.db2.gz KTUDOJBIRJCFFU-UHFFFAOYSA-N -2 0 292.290 3.220 1 5 CGBFRL