pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42000007629395	QSARToolbox	0	-1	COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)O	COc1ccc2c(c1C)CC[C@@](C)(C(=O)[O-])[C@@H]2CC(=O)O,COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)[O-]	mol34634	COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)O