smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040762719 213385294 /nfs/dbraw/zinc/38/52/94/213385294.db2.gz TZCLLMIAZPGSSK-SFQUDFHCSA-N 0 3 326.269 0.922 1 10 ECCFHN CN1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000035906080 213051564 /nfs/dbraw/zinc/05/15/64/213051564.db2.gz TZCLLMIAZPGSSK-ATVHPVEESA-N 0 3 326.269 0.922 1 10 ECCFHN