smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000020968849 521487064 /nfs/dbraw/zinc/48/70/64/521487064.db2.gz UNZJWTBCHYQEQP-UHFFFAOYSA-N 0 1 426.473 3.166 10 5 IGBEMN O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026163430 132225732 /nfs/dbraw/zinc/22/57/32/132225732.db2.gz BRJKSJCCTZEQFK-UHFFFAOYSA-N 0 1 428.533 3.206 10 5 IGBEMN