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-])Cc1c2ccccc2cc2c3ccccc3ccc21 ZINC000044374338 175168709 /nfs/dbraw/zinc/16/87/09/175168709.db2.gz MSKUXZMLVIOBEL-UHFFFAOYSA-N -1 0 286.330 4.773 10 5 in-vitro CJBERM