smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1cc2c([O-])c3c(=O)c(CC=C(C)C)c(O)cc-3oc2c(O)c1[O-] ZINC000014727613 570923347 /nfs/dbraw/zinc/92/33/47/570923347.db2.gz HYEUTPGCGSJHQC-UHFFFAOYSA-N -2 0 396.439 4.786 10 10 biogenic GJCERL