smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)cc3O[C@H]2CO)ccc1O ZINC000014984519 522965714 /nfs/dbraw/zinc/96/57/14/522965714.db2.gz FDQAOULAVFHKBX-MNPDLOSFSA-N -1 1 482.441 2.363 30 0 biogenic,in-vitro JEACMM COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O ZINC000017044430 556210411 /nfs/dbraw/zinc/21/04/11/556210411.db2.gz FDQAOULAVFHKBX-HKTJVKLFSA-N -1 1 482.441 2.363 30 0 biogenic,in-vitro JEACMM COc1cc([C@@H]2Oc3ccc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O ZINC000017044428 556210394 /nfs/dbraw/zinc/21/03/94/556210394.db2.gz FDQAOULAVFHKBX-AKAGGGOCSA-N -1 1 482.441 2.363 30 0 in-vitro JEACMM