smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2c1 ZINC000217357027 569879918 /nfs/dbraw/zinc/87/99/18/569879918.db2.gz PHTZWFITMNFQCB-LDBVRRDLSA-N -1 1 460.435 0.743 40 70 JCIBMM CCOc1cc(=O)c2c([O-])c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc-2c1 ZINC000217357027 569879917 /nfs/dbraw/zinc/87/99/17/569879917.db2.gz PHTZWFITMNFQCB-LDBVRRDLSA-N -1 1 460.435 0.743 40 70 JCIBMM