pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.46	AttenGpKa training set	0	-1	CSCC[C@H](NC(=O)[C@H](C)[NH3+])C(=O)[O-]	CSCC[C@H](NC(=O)[C@H](C)N)C(=O)[O-]	mol29446	CSCCC(NC(=O)C(C)N)C(=O)O