pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.52	Datawarrior	0	-1	Oc1ccc(F)cc1CN1CCOCC1	[O-]c1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1
10.5200004577637	QSARToolbox	0	-1	Oc1ccc(F)cc1CN1CCOCC1	[O-]c1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1
6.78	Datawarrior	1	0	Oc1ccc(F)cc1C[NH+]1CCOCC1	Oc1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1
6.7800002	OCHEM	1	0	Oc1ccc(F)cc1C[NH+]1CCOCC1	Oc1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1
6.78000020980835	QSARToolbox	1	0	Oc1ccc(F)cc1C[NH+]1CCOCC1	Oc1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1
6.69	AttenGpKa training set	1	0	Oc1ccc(F)cc1C[NH+]1CCOCC1	Oc1ccc(F)cc1CN1CCOCC1	mol15764	Oc1ccc(F)cc1CN1CCOCC1