smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])CC1 ZINC000004846142 132290573 /nfs/dbraw/zinc/29/05/73/132290573.db2.gz QYJSXKKODPSROV-UHFFFAOYSA-N 1 2 404.264 3.340 3 5 HGBFLO