pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	IUPAC digitized pKa	0	-1	Cc1cccc2c1[C@H](C(=O)O)[C@@]13CC(=O)[C@@](C)(CC[C@H]21)C3	Cc1cccc2c1[C@H](C(=O)[O-])[C@@]13CC(=O)[C@@](C)(CC[C@H]21)C3	mol12160	Cc1cccc2c1[C@H](C(=O)O)[C@@]13CC(=O)[C@@](C)(CC[C@H]21)C3