pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.61000001430511	QSARToolbox	-1	-2	CC(C)=C1[C@H]2[C@]3(C(=O)[O-])[C@@]2(C(=O)O)[C@]2(C(=O)O)[C@H]1[C@]32C(=O)O	CC(C)=C1[C@@H]2[C@]3(C(=O)[O-])[C@]4(C(=O)[O-])[C@H]1[C@]4(C(=O)O)[C@]23C(=O)O,CC(C)=C1[C@H]2[C@]3(C(=O)[O-])[C@@]2(C(=O)O)[C@]2(C(=O)[O-])[C@H]1[C@]32C(=O)O,CC(C)=C1[C@@H]2[C@@]3(C(=O)[O-])[C@]2(C(=O)[O-])[C@@]2(C(=O)O)[C@@H]1[C@@]32C(=O)O	mol35056	CC(C)=C1C2C3(C(=O)O)C2(C(=O)O)C2(C(=O)O)C1C32C(=O)O