pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Datawarrior	0	-1	Cc1cccc(C)c1NN=C(C#N)C#N	Cc1cccc(C)c1[N-]N=C(C#N)C#N	mol14296	Cc1cccc(C)c1NN=C(C#N)C#N
6.5999999	OCHEM	0	-1	Cc1cccc(C)c1NN=C(C#N)C#N	Cc1cccc(C)c1[N-]N=C(C#N)C#N	mol14296	Cc1cccc(C)c1NN=C(C#N)C#N
6.59999990463257	QSARToolbox	0	-1	Cc1cccc(C)c1NN=C(C#N)C#N	Cc1cccc(C)c1[N-]N=C(C#N)C#N	mol14296	Cc1cccc(C)c1NN=C(C#N)C#N
-0.82	Datawarrior	1	0	Cc1cccc(C)c1[NH2+]N=C(C#N)C#N,Cc1cccc(C)c1N[NH+]=C(C#N)C#N	Cc1cccc(C)c1NN=C(C#N)C#N	mol14296	Cc1cccc(C)c1NN=C(C#N)C#N
-0.81999999	OCHEM	1	0	Cc1cccc(C)c1[NH2+]N=C(C#N)C#N,Cc1cccc(C)c1N[NH+]=C(C#N)C#N	Cc1cccc(C)c1NN=C(C#N)C#N	mol14296	Cc1cccc(C)c1NN=C(C#N)C#N