smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C=Cc2c([O-])c3c(cc2O1)oc1c([O-])cccc1c3=O ZINC000005762059 181281481 /nfs/dbraw/zinc/28/14/81/181281481.db2.gz NHNIESSJWQBRJW-UHFFFAOYSA-N -2 3 310.305 3.542 10 5 biogenic,in-vitro DHBEHL