pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	IUPAC digitized pKa	1	0	CC(C)(C#N)[NH+]1CCCCC1	CC(C)(C#N)N1CCCCC1	mol2117	CC(C)(C#N)N1CCCCC1
9.22000026702881	QSARToolbox	1	0	CC(C)(C#N)[NH+]1CCCCC1	CC(C)(C#N)N1CCCCC1	mol2117	CC(C)(C#N)N1CCCCC1