pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.23000001907349	QSARToolbox	2	1	CC(C)(C)C/C(Nc1cccnc1)=[NH+]\C#[NH+]	CC(C)(C)C/C(=N\C#N)Nc1ccc[nH+]c1,CC(C)(C)C/C(Nc1cccnc1)=[NH+]\C#N	mol35018	CC(C)(C)C/C(=N\C#N)Nc1cccnc1