pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.65	IUPAC digitized pKa	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.99	IUPAC digitized pKa	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.68	Datawarrior	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.62	OCHEM	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.8	OCHEM	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.6999998092651	QSARToolbox	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.7399997711182	QSARToolbox	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.6199998855591	QSARToolbox	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.6499996185303	QSARToolbox	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.9899997711182	QSARToolbox	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
1.25	IUPAC digitized pKa	1	0	Oc1cccc[nH+]1	Oc1ccccn1	mol1387	Oc1ccccn1
0.75	Datawarrior	1	0	Oc1cccc[nH+]1	Oc1ccccn1	mol1387	Oc1ccccn1
1.0	AttenGpKa training set	1	0	Oc1cccc[nH+]1	Oc1ccccn1	mol1387	Oc1ccccn1