smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000218669767 563717066 /nfs/dbraw/zinc/71/70/66/563717066.db2.gz JBHHKTBHDGBLRV-OAHLLOKOSA-N -1 1 313.397 3.575 50 70 DHIAMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000218669848 563717106 /nfs/dbraw/zinc/71/71/06/563717106.db2.gz JBHHKTBHDGBLRV-HNNXBMFYSA-N -1 1 313.397 3.575 50 70 DHIAMM