smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c([O-])cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000217360148 569879958 /nfs/dbraw/zinc/87/99/58/569879958.db2.gz GWCQPUMHZWNQBC-PFKOEMKTSA-N -1 3 486.477 0.919 40 70 JCIBHM