pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Datawarrior	0	-1	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1	Cc1ccc([N-]N=C(C#N)C#N)c([N+](=O)[O-])c1	mol15264	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1
-0.78	Datawarrior	1	0	Cc1ccc(N[NH+]=C(C#N)C#N)c([N+](=O)[O-])c1,Cc1ccc([NH2+]N=C(C#N)C#N)c([N+](=O)[O-])c1	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1	mol15264	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1
-0.77999997	OCHEM	1	0	Cc1ccc(N[NH+]=C(C#N)C#N)c([N+](=O)[O-])c1,Cc1ccc([NH2+]N=C(C#N)C#N)c([N+](=O)[O-])c1	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1	mol15264	Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1