pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	Datawarrior	0	-1	Cc1nc(N[N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[nH]1	mol13090	Cc1nc(N[N+](=O)[O-])n[nH]1
4.75	QSARToolbox	0	-1	Cc1nc(N[N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[nH]1	mol13090	Cc1nc(N[N+](=O)[O-])n[nH]1
4.3	AttenGpKa training set	0	-1	Cc1nc(N[N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[nH]1	mol13090	Cc1nc(N[N+](=O)[O-])n[nH]1
11.3000001907349	QSARToolbox	-1	-2	Cc1nc([N-][N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[n-]1	mol13090	Cc1nc(N[N+](=O)[O-])n[nH]1