pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	0	-1	O=C(O)c1c[nH]c(=O)[nH]c1=O	O=C([O-])c1c[nH]c(=O)[nH]c1=O	mol9347	O=C(O)c1c[nH]c(=O)[nH]c1=O
8.89	IUPAC digitized pKa	-1	-2	O=C([O-])c1c[nH]c(=O)[nH]c1=O	O=C([O-])c1c[nH]c(=O)[n-]c1=O,O=C([O-])c1c[n-]c(=O)[nH]c1=O	mol9347	O=C(O)c1c[nH]c(=O)[nH]c1=O
9.01	AttenGpKa training set	-1	-2	O=C([O-])c1c[nH]c(=O)[nH]c1=O	O=C([O-])c1c[nH]c(=O)[n-]c1=O,O=C([O-])c1c[n-]c(=O)[nH]c1=O	mol9347	O=C(O)c1c[nH]c(=O)[nH]c1=O