pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.52000045776367	QSARToolbox	1	0	CCC[NH+]1CCc2ccccc2C1	CCCN1CCc2ccccc2C1	mol24588	CCCN1CCc2ccccc2C1
8.62	AttenGpKa training set	1	0	CCC[NH+]1CCc2ccccc2C1	CCCN1CCc2ccccc2C1	mol24588	CCCN1CCc2ccccc2C1