smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCO)C(=O)CCc1ccc(-c2ccc(CCC(=O)[N+](C)(C)CCO)cc2)cc1 ZINC000031274185 717119384 /nfs/dbraw/zinc/11/93/84/717119384.db2.gz MFWPFSSBWWROIW-UHFFFAOYSA-N 2 0 442.600 2.409 10 5 IEBERP