pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH+](CC(=O)[O-])[C@@H]1Cc2ccccc2C[C@H]1N(CC(=O)O)CC(=O)O,O=C([O-])CN(CC(=O)O)[C@@H]1Cc2ccccc2C[C@H]1[NH+](CC(=O)[O-])CC(=O)O,O=C([O-])CN(CC(=O)O)[C@@H]1Cc2ccccc2C[C@H]1N(CC(=O)O)CC(=O)O,O=C([O-])CN(CC(=O)[O-])[C@@H]1Cc2ccccc2C[C@H]1[NH+](CC(=O)O)CC(=O)O,O=C([O-])C[NH+](CC(=O)[O-])[C@@H]1Cc2ccccc2C[C@H]1[NH+](CC(=O)[O-])CC(=O)O	O=C([O-])C[NH+](CC(=O)[O-])[C@@H]1Cc2ccccc2C[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	mol12224	O=C(O)CN(CC(=O)O)[C@@H]1Cc2ccccc2C[C@H]1N(CC(=O)O)CC(=O)O