pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.33999991416931	QSARToolbox	0	-1	CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)O	mol32998	CC1(C)C(C(=O)O)C1C(=O)O
4.12	OCHEM	-1	-2	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	mol32998	CC1(C)C(C(=O)O)C1C(=O)O
3.8199999332428	QSARToolbox	-1	-2	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	mol32998	CC1(C)C(C(=O)O)C1C(=O)O
5.32000017166138	QSARToolbox	-1	-2	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	mol32998	CC1(C)C(C(=O)O)C1C(=O)O