pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	IUPAC digitized pKa	1	0	C1CCN(CC[NH+]2CCCC2)C1	C1CCN(CCN2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1
9.4700003	OCHEM	1	0	C1CCN(CC[NH+]2CCCC2)C1	C1CCN(CCN2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1
9.17	OCHEM	1	0	C1CCN(CC[NH+]2CCCC2)C1	C1CCN(CCN2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1
9.47000026702881	QSARToolbox	1	0	C1CCN(CC[NH+]2CCCC2)C1	C1CCN(CCN2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1
6.3	IUPAC digitized pKa	2	1	C1CC[NH+](CC[NH+]2CCCC2)C1	C1CCN(CC[NH+]2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1
6.30000019073486	QSARToolbox	2	1	C1CC[NH+](CC[NH+]2CCCC2)C1	C1CCN(CC[NH+]2CCCC2)C1	mol3891	C1CCN(CCN2CCCC2)C1