pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.71	IUPAC digitized pKa	0	-1	CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O,CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]	mol11258	CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O
5.83	IUPAC digitized pKa	-1	-2	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O,CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	mol11258	CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O