pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.92	IUPAC digitized pKa	0	-1	Nc1nc(O)ncc1NC=O	Nc1nc([O-])ncc1NC=O	mol7064	Nc1nc(O)ncc1NC=O
10.87	AttenGpKa training set	0	-1	Nc1nc(O)ncc1NC=O	Nc1nc([O-])ncc1NC=O	mol7064	Nc1nc(O)ncc1NC=O
3.5	IUPAC digitized pKa	1	0	Nc1nc(O)[nH+]cc1NC=O,Nc1[nH+]c(O)ncc1NC=O,[NH3+]c1nc(O)ncc1NC=O	Nc1nc(O)ncc1NC=O	mol7064	Nc1nc(O)ncc1NC=O
3.55	AttenGpKa training set	1	0	Nc1nc(O)[nH+]cc1NC=O,Nc1[nH+]c(O)ncc1NC=O,[NH3+]c1nc(O)ncc1NC=O	Nc1nc(O)ncc1NC=O	mol7064	Nc1nc(O)ncc1NC=O