smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)c(CCCCCC(=O)[O-])c([O-])c(C(=O)/C=C/C=C/C=C\C(=O)[O-])c1O ZINC000033833064 291222324 /nfs/dbraw/zinc/22/23/24/291222324.db2.gz CBVZKEVESCFLRS-UPLAUGARSA-N -3 3 420.414 2.935 1 30 biogenic,in-vitro HFEFHL