pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	AttenGpKa training set	0	-1	C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)[O-]	C[C@H](N)C(=O)N[C@H](C)C(=O)[O-]	mol29429	C[C@H](N)C(=O)N[C@H](C)C(=O)O
3.12	AttenGpKa training set	1	0	C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)O	C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)[O-]	mol29429	C[C@H](N)C(=O)N[C@H](C)C(=O)O