pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.545	IUPAC digitized pKa	0	-1	Oc1ccnc(O)c1	[O-]c1ccnc(O)c1	mol3676	Oc1ccnc(O)c1
6.5	Datawarrior	0	-1	Oc1ccnc(O)c1	[O-]c1ccnc(O)c1	mol3676	Oc1ccnc(O)c1
6.53999996185303	QSARToolbox	0	-1	Oc1ccnc(O)c1	[O-]c1ccnc(O)c1	mol3676	Oc1ccnc(O)c1
1.37	IUPAC digitized pKa	1	0	Oc1cc[nH+]c(O)c1	Oc1ccnc(O)c1	mol3676	Oc1ccnc(O)c1
1.37000000476837	QSARToolbox	1	0	Oc1cc[nH+]c(O)c1	Oc1ccnc(O)c1	mol3676	Oc1ccnc(O)c1
13.0	IUPAC digitized pKa	-1	-2	[O-]c1ccnc(O)c1	[O-]c1ccnc([O-])c1	mol3676	Oc1ccnc(O)c1