pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	OCHEM	0	-1	CC[C@@](C)(S)[C@H]([NH3+])C(=O)[O-]	CC[C@@](C)(S)[C@H](N)C(=O)[O-],CC[C@@](C)([S-])[C@H]([NH3+])C(=O)[O-]	mol458	CC[C@@](C)(S)[C@H](N)C(=O)O