pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]c1cc[nH]c(=O)n1,O=C([O-])CNc1cc[nH]c(=O)[nH+]1	O=C([O-])CNc1cc[nH]c(=O)n1	mol9732	O=C(O)CNc1cc[nH]c(=O)n1
12.6	IUPAC digitized pKa	-1	-2	O=C([O-])CNc1cc[nH]c(=O)n1	O=C([O-])CNc1cc[n-]c(=O)n1	mol9732	O=C(O)CNc1cc[nH]c(=O)n1