pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23000001907349	QSARToolbox	0	-1	O=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)C[NH+]1CC[C@H]1C(=O)O,O=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)O)[C@@H](O)C[NH+]1CC[C@H]1C(=O)[O-],O=C(O)[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)C[NH+]1CC[C@H]1C(=O)[O-]	O=C([O-])[C@@H]([NH2+]CC[C@H](O)C(=O)[O-])[C@@H](O)C[NH+]1CC[C@H]1C(=O)[O-]	mol37297	O=C(O)[C@@H](NCC[C@H](O)C(=O)O)[C@@H](O)CN1CC[C@H]1C(=O)O