pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22999954223633	QSARToolbox	1	0	CCCC[NH+]1CCN(c2ccccc2OC)CC1	CCCCN1CCN(c2ccccc2OC)CC1	mol24661	CCCCN1CCN(c2ccccc2OC)CC1
8.33	AttenGpKa training set	1	0	CCCC[NH+]1CCN(c2ccccc2OC)CC1	CCCCN1CCN(c2ccccc2OC)CC1	mol24661	CCCCN1CCN(c2ccccc2OC)CC1