pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	AttenGpKa training set	1	0	O=C(O)c1[nH+]c2c(=O)nc[nH]c2[nH]c1=O,O=C(O)c1nc2c(=O)[nH+]c[nH]c2[nH]c1=O	O=C(O)c1nc2c(=O)nc[nH]c2[nH]c1=O	mol10046	O=C(O)c1nc2c(=O)nc[nH]c2[nH]c1=O
10.05	IUPAC digitized pKa	-2	-3	O=C([O-])c1nc2c(=O)nc[n-]c2[nH]c1=O,O=C([O-])c1nc2c(=O)nc[nH]c2[n-]c1=O	O=C([O-])c1nc2c(=O)nc[n-]c2[n-]c1=O	mol10046	O=C(O)c1nc2c(=O)nc[nH]c2[nH]c1=O
6.69	IUPAC digitized pKa	-1	-2	O=C([O-])c1nc2c(=O)nc[nH]c2[nH]c1=O	O=C([O-])c1nc2c(=O)nc[n-]c2[nH]c1=O,O=C([O-])c1nc2c(=O)nc[nH]c2[n-]c1=O	mol10046	O=C(O)c1nc2c(=O)nc[nH]c2[nH]c1=O