pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.84000015258789	QSARToolbox	1	0	CCCC[NH+]1CCN(c2ccccc2)CC1	CCCCN1CCN(c2ccccc2)CC1	mol24641	CCCCN1CCN(c2ccccc2)CC1
7.94	AttenGpKa training set	1	0	CCCC[NH+]1CCN(c2ccccc2)CC1	CCCCN1CCN(c2ccccc2)CC1	mol24641	CCCCN1CCN(c2ccccc2)CC1