pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](Br)C(=O)O	CC[C@@H](Br)C(=O)[O-]	mol21797	CCC(Br)C(=O)O
2.97	AttenGpKa training set	0	-1	CC[C@@H](Br)C(=O)O	CC[C@@H](Br)C(=O)[O-]	mol21797	CCC(Br)C(=O)O