pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	AttenGpKa training set	0	-1	CONC(=O)[C@H](C)N	CO[N-]C(=O)[C@H](C)N	mol27165	CONC(=O)C(C)N
7.2	AttenGpKa training set	1	0	CONC(=O)[C@H](C)[NH3+]	CONC(=O)[C@H](C)N	mol27165	CONC(=O)C(C)N