pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.38	IUPAC digitized pKa	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.66	Datawarrior	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.13	OCHEM	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.4	OCHEM	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.6599998	OCHEM	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.40999984741211	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
6.92000007629395	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
8.06999969482422	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.80000019073486	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.5	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.15000009536743	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.55999994277954	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.38000011444092	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
6.05999994277954	QSARToolbox	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
7.28	AttenGpKa training set	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1