pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.90000009536743	QSARToolbox	-1	-2	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)N2CCCC2)C1	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)N2CCCC2)C1	mol35116	C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)N2CCCC2)C1