pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.70000004768372	QSARToolbox	0	-1	CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(C[C@H]4CCOC4)C[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13	CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(C[C@H]4CCOC4)C[C@@]4(O[C@@H]4C(=O)[O-])[C@]2(C)C(=O)C[C@@H]13	mol37807	CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(CC4CCOC4)C[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13