pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.22	Datawarrior	0	-1	Cn1nc([N+](=O)[O-])nc1NN=O	Cn1nc([N+](=O)[O-])nc1[N-]N=O	mol12631	Cn1nc([N+](=O)[O-])nc1NN=O
3.22000002861023	QSARToolbox	0	-1	Cn1nc([N+](=O)[O-])nc1NN=O	Cn1nc([N+](=O)[O-])nc1[N-]N=O	mol12631	Cn1nc([N+](=O)[O-])nc1NN=O