pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.90000009536743	QSARToolbox	0	-1	O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O	O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O,O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)[O-]	mol37401	O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O