pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	IUPAC digitized pKa	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
9.17	Datawarrior	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
9.1700001	OCHEM	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
9.17000007629395	QSARToolbox	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
9.19999980926514	QSARToolbox	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
9.19	AttenGpKa training set	0	-1	Oc1ncccn1	[O-]c1ncccn1	mol4198	Oc1ncccn1
2.15	IUPAC digitized pKa	1	0	Oc1nccc[nH+]1	Oc1ncccn1	mol4198	Oc1ncccn1
2.24	Datawarrior	1	0	Oc1nccc[nH+]1	Oc1ncccn1	mol4198	Oc1ncccn1
2.24000000953674	QSARToolbox	1	0	Oc1nccc[nH+]1	Oc1ncccn1	mol4198	Oc1ncccn1
2.15000009536743	QSARToolbox	1	0	Oc1nccc[nH+]1	Oc1ncccn1	mol4198	Oc1ncccn1