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-])OC(=O)[O-] 59091802 1106854368 /nfs/dbraw/zinc/85/43/68/1106854368.db2.gz ZFTFAPZRGNKQPU-UHFFFAOYSA-N -2 0 106.033 0.359 40 50 in-vitro ACGBRL