pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	Datawarrior	0	-1	CC(C)[C@@H](Br)C(=O)O	CC(C)[C@@H](Br)C(=O)[O-]	mol12445	CC(C)C(Br)C(=O)O
2.8199999	OCHEM	0	-1	CC(C)[C@@H](Br)C(=O)O	CC(C)[C@@H](Br)C(=O)[O-]	mol12445	CC(C)C(Br)C(=O)O
2.8199999332428	QSARToolbox	0	-1	CC(C)[C@@H](Br)C(=O)O	CC(C)[C@@H](Br)C(=O)[O-]	mol12445	CC(C)C(Br)C(=O)O