pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.25	IUPAC digitized pKa	1	0	C(CN1CCOCC1)C[NH+]1CCOCC1	C(CN1CCOCC1)CN1CCOCC1	mol3955	C(CN1CCOCC1)CN1CCOCC1
6.25	IUPAC digitized pKa	2	1	C(C[NH+]1CCOCC1)C[NH+]1CCOCC1	C(CN1CCOCC1)C[NH+]1CCOCC1	mol3955	C(CN1CCOCC1)CN1CCOCC1
6.75	OCHEM	2	1	C(C[NH+]1CCOCC1)C[NH+]1CCOCC1	C(CN1CCOCC1)C[NH+]1CCOCC1	mol3955	C(CN1CCOCC1)CN1CCOCC1
7.0	OCHEM	2	1	C(C[NH+]1CCOCC1)C[NH+]1CCOCC1	C(CN1CCOCC1)C[NH+]1CCOCC1	mol3955	C(CN1CCOCC1)CN1CCOCC1
6.25500011444092	QSARToolbox	2	1	C(C[NH+]1CCOCC1)C[NH+]1CCOCC1	C(CN1CCOCC1)C[NH+]1CCOCC1	mol3955	C(CN1CCOCC1)CN1CCOCC1