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(=O)C(=O)[O-] 5178386 171015362 /nfs/dbraw/zinc/01/53/62/171015362.db2.gz BLNNXYDKWOJQGK-UHFFFAOYSA-N -2 0 146.054 -1.706 20 10 in-vitro AACDRL