pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	IUPAC digitized pKa	1	0	CC[NH+](CC)C(C)(C)C#N	CCN(CC)C(C)(C)C#N	mol3179	CCN(CC)C(C)(C)C#N
7.7	IUPAC digitized pKa	1	0	CC[NH+](CC)C(C)(C)C#N	CCN(CC)C(C)(C)C#N	mol3179	CCN(CC)C(C)(C)C#N
9.13000011444092	QSARToolbox	1	0	CC[NH+](CC)C(C)(C)C#N	CCN(CC)C(C)(C)C#N	mol3179	CCN(CC)C(C)(C)C#N