pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.16	Datawarrior	2	1	C1CC[NH+]([NH+]2CCCC2)C1	C1CCN([NH+]2CCCC2)C1	mol13159	C1CCN(N2CCCC2)C1
7.1599998	OCHEM	2	1	C1CC[NH+]([NH+]2CCCC2)C1	C1CCN([NH+]2CCCC2)C1	mol13159	C1CCN(N2CCCC2)C1
7.15999984741211	QSARToolbox	2	1	C1CC[NH+]([NH+]2CCCC2)C1	C1CCN([NH+]2CCCC2)C1	mol13159	C1CCN(N2CCCC2)C1