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)=CCc1c(O)cc2occ(-c3ccc4c(c3)C[C@@H](O)C(C)(C)O4)c(O)c-2c1=O ZINC000038968540 291261317 /nfs/dbraw/zinc/26/13/17/291261317.db2.gz ZQFVIWLMWIBTMY-OAQYLSRUSA-N -2 1 422.477 4.454 1 0 biogenic,in-vitro HIAFML