smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000011681622 562979051 /nfs/dbraw/zinc/97/90/51/562979051.db2.gz MFKMXUFMHOCZHP-CYYJNZCTSA-N 0 3 444.531 5.363 10 5 in-man IKBEHN