pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0100002	OCHEM	0	-1	C[C@H]([C@@H]1C[C@H]1C(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C	C[C@H]([C@@H]1C[C@H]1C(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C	mol32539	CC(C1CC1C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C