pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.11	IUPAC digitized pKa	0	-1	O=C([O-])c1c[nH]c[nH+]1	O=C([O-])c1c[nH]cn1	mol6654	O=C(O)c1c[nH]cn1
6.26	IUPAC digitized pKa	0	-1	O=C([O-])c1c[nH]c[nH+]1	O=C([O-])c1c[nH]cn1	mol6654	O=C(O)c1c[nH]cn1
6.02	IUPAC digitized pKa	0	-1	O=C([O-])c1c[nH]c[nH+]1	O=C([O-])c1c[nH]cn1	mol6654	O=C(O)c1c[nH]cn1
6.17	AttenGpKa training set	0	-1	O=C([O-])c1c[nH]c[nH+]1	O=C([O-])c1c[nH]cn1	mol6654	O=C(O)c1c[nH]cn1
1.97	IUPAC digitized pKa	1	0	O=C(O)c1c[nH]c[nH+]1	O=C([O-])c1c[nH]c[nH+]1	mol6654	O=C(O)c1c[nH]cn1
2.01	IUPAC digitized pKa	1	0	O=C(O)c1c[nH]c[nH+]1	O=C([O-])c1c[nH]c[nH+]1	mol6654	O=C(O)c1c[nH]cn1
1.92	AttenGpKa training set	1	0	O=C(O)c1c[nH]c[nH+]1	O=C([O-])c1c[nH]c[nH+]1	mol6654	O=C(O)c1c[nH]cn1