pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07000017166138	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21	O=C([O-])[C@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21,O=C(O)[C@H]1CC[C@](C(=O)[O-])(c2ccccc2)c2ccccc21	mol36347	O=C(O)[C@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21