pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.84999990463257	QSARToolbox	1	0	COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1N=NC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1N=NC(=N[N-]c1ccc([N+](=O)[O-])cc1)c1ccccc1	mol37072	COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1N=NC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1