pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	IUPAC digitized pKa	1	0	O=C(O)C[NH+]1[C@@H](C(=O)O)CCC[C@H]1C(=O)O	O=C(O)C[NH+]1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)O,O=C([O-])C[NH+]1[C@@H](C(=O)O)CCC[C@H]1C(=O)O,O=C(O)CN1[C@@H](C(=O)O)CCC[C@H]1C(=O)O	mol11085	O=C(O)CN1C(C(=O)O)CCCC1C(=O)O
9.33	IUPAC digitized pKa	-2	-3	O=C([O-])C[NH+]1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	O=C([O-])CN1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	mol11085	O=C(O)CN1C(C(=O)O)CCCC1C(=O)O
2.71	IUPAC digitized pKa	-1	-2	O=C([O-])CN1[C@@H](C(=O)O)CCC[C@H]1C(=O)O,O=C([O-])C[NH+]1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)O,O=C(O)CN1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)O,O=C(O)C[NH+]1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	O=C([O-])C[NH+]1[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	mol11085	O=C(O)CN1C(C(=O)O)CCCC1C(=O)O