smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O ZINC000004214338 561694288 /nfs/dbraw/zinc/69/42/88/561694288.db2.gz HWMJTJZEJBSVCG-GPDBLRFJSA-N 0 1 574.535 0.383 10 10 in-man KCCEMN