pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.96	OCHEM	1	0	CCC[NH+]1CCN(c2ccccc2)CC1	CCCN1CCN(c2ccccc2)CC1	mol21571	CCCN1CCN(c2ccccc2)CC1
7.78999996185303	QSARToolbox	1	0	CCC[NH+]1CCN(c2ccccc2)CC1	CCCN1CCN(c2ccccc2)CC1	mol21571	CCCN1CCN(c2ccccc2)CC1
7.925	AttenGpKa training set	1	0	CCC[NH+]1CCN(c2ccccc2)CC1	CCCN1CCN(c2ccccc2)CC1	mol21571	CCCN1CCN(c2ccccc2)CC1