pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.52	IUPAC digitized pKa	0	-1	Oc1cncnc1O	[O-]c1ncncc1O,[O-]c1cncnc1O	mol4172	Oc1cncnc1O
7.48	Datawarrior	0	-1	Oc1cncnc1O	[O-]c1ncncc1O,[O-]c1cncnc1O	mol4172	Oc1cncnc1O
7.51999998092651	QSARToolbox	0	-1	Oc1cncnc1O	[O-]c1ncncc1O,[O-]c1cncnc1O	mol4172	Oc1cncnc1O
1.99	IUPAC digitized pKa	1	0	Oc1c[nH+]cnc1O,Oc1cnc[nH+]c1O	Oc1cncnc1O	mol4172	Oc1cncnc1O
1.99000000953674	QSARToolbox	1	0	Oc1c[nH+]cnc1O,Oc1cnc[nH+]c1O	Oc1cncnc1O	mol4172	Oc1cncnc1O
11.69	IUPAC digitized pKa	-1	-2	[O-]c1ncncc1O,[O-]c1cncnc1O	[O-]c1cncnc1[O-]	mol4172	Oc1cncnc1O
11.61	Datawarrior	-1	-2	[O-]c1ncncc1O,[O-]c1cncnc1O	[O-]c1cncnc1[O-]	mol4172	Oc1cncnc1O
11.6899995803833	QSARToolbox	-1	-2	[O-]c1ncncc1O,[O-]c1cncnc1O	[O-]c1cncnc1[O-]	mol4172	Oc1cncnc1O