pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Baltruschat ChEMBL	0	-1	CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1	CC(C)(C)[C@H]1CC[C@H](CC2=C([O-])C(=O)c3ccccc3C2=O)CC1	mol20887	CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1
5.69999980926514	QSARToolbox	0	-1	CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1	CC(C)(C)[C@H]1CC[C@H](CC2=C([O-])C(=O)c3ccccc3C2=O)CC1	mol20887	CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1