pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	0	-1	CC(=O)[C@H]1CC=CC[C@@H]1C(=O)O	CC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	mol12554	CC(=O)[C@H]1CC=CC[C@@H]1C(=O)O