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(NC[C@H]1CC[C@H](C(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1)OCc1ccccc1 ZINC000217477242 571601556 /nfs/dbraw/zinc/60/15/56/571601556.db2.gz JSVVVFVSTMDBEL-UHGJSFDGSA-N -1 1 527.573 5.804 40 70 KKIBMM O=C(NC[C@H]1CC[C@H](C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CC1)OCc1ccccc1 ZINC000217477242 571601557 /nfs/dbraw/zinc/60/15/57/571601557.db2.gz JSVVVFVSTMDBEL-UHGJSFDGSA-N -1 1 527.573 5.804 40 70 KKIBMM