pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.36	AttenGpKa training set	0	-1	CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C	CC(C)C[C@H](N)C(=O)N[C@H](C(=O)[O-])C(C)C	mol29448	CC(C)CC(N)C(=O)NC(C(=O)O)C(C)C