smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCC[NH+]1CCOCC1 ZINC000217763659 569452975 /nfs/dbraw/zinc/45/29/75/569452975.db2.gz MNFRSXDANMORJN-IBGZPJMESA-N 1 1 427.505 0.859 50 70 biogenic ICIAMO