pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.27	Datawarrior	0	-1	Oc1ccccc1CN1CCOCC1	[O-]c1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
10.3000001907349	QSARToolbox	0	-1	Oc1ccccc1CN1CCOCC1	[O-]c1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
10.2700004577637	QSARToolbox	0	-1	Oc1ccccc1CN1CCOCC1	[O-]c1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
10.2799997329712	QSARToolbox	0	-1	Oc1ccccc1CN1CCOCC1	[O-]c1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
7.71	Datawarrior	1	0	Oc1ccccc1C[NH+]1CCOCC1	Oc1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
6.8600001335144	QSARToolbox	1	0	Oc1ccccc1C[NH+]1CCOCC1	Oc1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1
6.85	AttenGpKa training set	1	0	Oc1ccccc1C[NH+]1CCOCC1	Oc1ccccc1CN1CCOCC1	mol13423	Oc1ccccc1CN1CCOCC1