pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.08	IUPAC digitized pKa	0	-1	Nc1cc(O)ncn1	Nc1cc([O-])ncn1	mol4087	Nc1cc(O)ncn1
10.1	OCHEM	0	-1	Nc1cc(O)ncn1	Nc1cc([O-])ncn1	mol4087	Nc1cc(O)ncn1
10.05	AttenGpKa training set	0	-1	Nc1cc(O)ncn1	Nc1cc([O-])ncn1	mol4087	Nc1cc(O)ncn1
1.36	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)ncn1,Nc1cc(O)nc[nH+]1,Nc1cc(O)[nH+]cn1	Nc1cc(O)ncn1	mol4087	Nc1cc(O)ncn1
1.36000001430511	QSARToolbox	1	0	[NH3+]c1cc(O)ncn1,Nc1cc(O)nc[nH+]1,Nc1cc(O)[nH+]cn1	Nc1cc(O)ncn1	mol4087	Nc1cc(O)ncn1
1.79999995231628	QSARToolbox	1	0	[NH3+]c1cc(O)ncn1,Nc1cc(O)nc[nH+]1,Nc1cc(O)[nH+]cn1	Nc1cc(O)ncn1	mol4087	Nc1cc(O)ncn1