pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.54	OCHEM	0	-1	Nc1ccnc(O)c1	Nc1ccnc([O-])c1	mol6370	Nc1ccnc(O)c1
13.539999961853	QSARToolbox	0	-1	Nc1ccnc(O)c1	Nc1ccnc([O-])c1	mol6370	Nc1ccnc(O)c1
2.65	IUPAC digitized pKa	1	0	[NH3+]c1ccnc(O)c1,Nc1cc[nH+]c(O)c1	Nc1ccnc(O)c1	mol6370	Nc1ccnc(O)c1
2.65000009536743	QSARToolbox	1	0	[NH3+]c1ccnc(O)c1,Nc1cc[nH+]c(O)c1	Nc1ccnc(O)c1	mol6370	Nc1ccnc(O)c1
-5.1399998664856	QSARToolbox	2	1	[NH3+]c1cc[nH+]c(O)c1	[NH3+]c1ccnc(O)c1,Nc1cc[nH+]c(O)c1	mol6370	Nc1ccnc(O)c1