pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05999994277954	QSARToolbox	0	-1	CCOC(=O)NN(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]	CCOC(=O)NN(C(=O)OCC)[C-]([N+](=O)[O-])[N+](=O)[O-],CCOC(=O)[N-]N(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]	mol35864	CCOC(=O)NN(C(=O)OCC)C([N+](=O)[O-])[N+](=O)[O-]