pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.66	AttenGpKa training set	-1	-2	CC(=O)N[C@@H](CCS)C(=O)[O-]	CC(=O)N[C@@H](CC[S-])C(=O)[O-]	mol29438	CC(=O)N[C@@H](CCS)C(=O)O