smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c([O-])cc(C)oc1=O ZINC000218532244 568880581 /nfs/dbraw/zinc/88/05/81/568880581.db2.gz OHZUZIDUQZANFJ-OAHLLOKOSA-N -1 1 416.514 4.649 50 70 HJIAMM COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c([O-])cc(C)oc1=O ZINC000218532320 568880688 /nfs/dbraw/zinc/88/06/88/568880688.db2.gz OHZUZIDUQZANFJ-HNNXBMFYSA-N -1 1 416.514 4.649 50 70 HJIAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1cccnc1Cl)CC(=O)O2 ZINC000218059769 568924943 /nfs/dbraw/zinc/92/49/43/568924943.db2.gz SBYCWFICGOLASX-CQSZACIVSA-N -1 1 419.820 4.655 50 70 biogenic HJIAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cccnc1Cl)CC(=O)O2 ZINC000218059690 568925004 /nfs/dbraw/zinc/92/50/04/568925004.db2.gz SBYCWFICGOLASX-AWEZNQCLSA-N -1 1 419.820 4.655 50 70 biogenic HJIAMM