smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2c(O)cc([O-])c(O)c2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O ZINC000006505558 560205968 /nfs/dbraw/zinc/20/59/68/560205968.db2.gz ZHPLPRUARZZBET-KGLIPLIRSA-N -1 3 320.253 0.892 1 10 in-vitro DCCFHM NS(=O)(=O)c1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC000096908204 185390634 /nfs/dbraw/zinc/39/06/34/185390634.db2.gz CQBHSRLUQDYPBU-UHFFFAOYSA-N -1 3 303.295 0.815 1 10 in-vivo DCCFHM