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)c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007009349 257865361 /nfs/dbraw/zinc/86/53/61/257865361.db2.gz NEKUGGFHSNCXLN-UHFFFAOYSA-N 0 3 347.846 4.573 40 5 EJBBHN O=C(CN(C1CCCCC1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000392244475 564143663 /nfs/dbraw/zinc/14/36/63/564143663.db2.gz OBSRFMCJHCINPD-UHFFFAOYSA-N 0 3 344.455 4.745 40 5 EJBBHN