pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6999998092651	QSARToolbox	0	-1	COc1ccc(NC(=N)N[N+](=O)[O-])cc1	COc1ccc(NC(=N)[N-][N+](=O)[O-])cc1	mol28076	COc1ccc(NC(=N)N[N+](=O)[O-])cc1
10.7	AttenGpKa training set	0	-1	COc1ccc(NC(=N)N[N+](=O)[O-])cc1	COc1ccc(NC(=N)[N-][N+](=O)[O-])cc1	mol28076	COc1ccc(NC(=N)N[N+](=O)[O-])cc1