pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.70000004768372	QSARToolbox	2	1	C[C@H](N/C(=N\C#[NH+])Nc1ccc[nH+]c1)C(C)(C)C,C[C@H](N/C(Nc1cccnc1)=[NH+]\C#[NH+])C(C)(C)C,C[C@H](N/C(Nc1ccc[nH+]c1)=[NH+]\C#N)C(C)(C)C	C[C@H](N/C(=N\C#N)Nc1ccc[nH+]c1)C(C)(C)C,C[C@H](N/C(Nc1cccnc1)=[NH+]\C#N)C(C)(C)C	mol34813	CC(N/C(=N\C#N)Nc1cccnc1)C(C)(C)C