pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.61	IUPAC digitized pKa	0	-1	Nc1nc(O)cnc1C=O	Nc1nc([O-])cnc1C=O	mol6776	Nc1nc(O)cnc1C=O
-1.3400000333786	QSARToolbox	1	0	Nc1nc(O)c[nH+]c1C=O,Nc1[nH+]c(O)cnc1C=O,[NH3+]c1nc(O)cnc1C=O	Nc1nc(O)cnc1C=O	mol6776	Nc1nc(O)cnc1C=O
-1.34	AttenGpKa training set	1	0	Nc1nc(O)c[nH+]c1C=O,Nc1[nH+]c(O)cnc1C=O,[NH3+]c1nc(O)cnc1C=O	Nc1nc(O)cnc1C=O	mol6776	Nc1nc(O)cnc1C=O