pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.84	IUPAC digitized pKa	1	0	Cc1[nH+]c(O)nc(N)c1NC=O,Cc1nc(O)[nH+]c(N)c1NC=O,Cc1nc(O)nc([NH3+])c1NC=O	Cc1nc(O)nc(N)c1NC=O	mol7065	Cc1nc(O)nc(N)c1NC=O
3.87	AttenGpKa training set	1	0	Cc1[nH+]c(O)nc(N)c1NC=O,Cc1nc(O)[nH+]c(N)c1NC=O,Cc1nc(O)nc([NH3+])c1NC=O	Cc1nc(O)nc(N)c1NC=O	mol7065	Cc1nc(O)nc(N)c1NC=O
11.44	IUPAC digitized pKa	-1	-2	Cc1nc([O-])nc(N)c1NC=O	Cc1nc(O)nc([NH-])c1[N-]C=O,Cc1nc([O-])nc([NH-])c1NC=O,Cc1nc([O-])nc(N)c1[N-]C=O	mol7065	Cc1nc(O)nc(N)c1NC=O
11.39	AttenGpKa training set	-1	-2	Cc1nc([O-])nc(N)c1NC=O	Cc1nc(O)nc([NH-])c1[N-]C=O,Cc1nc([O-])nc([NH-])c1NC=O,Cc1nc([O-])nc(N)c1[N-]C=O	mol7065	Cc1nc(O)nc(N)c1NC=O