pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.22	AttenGpKa training set	2	1	[NH3+][C@@H](Cc1c[nH]c(F)[nH+]1)C(=O)O	[NH3+][C@@H](Cc1c[nH]c(F)[nH+]1)C(=O)[O-]	mol25432	N[C@@H](Cc1c[nH]c(F)n1)C(=O)O
10.55	AttenGpKa training set	-1	-2	N[C@@H](Cc1c[nH]c(F)n1)C(=O)[O-]	N[C@@H](Cc1c[n-]c(F)n1)C(=O)[O-]	mol25432	N[C@@H](Cc1c[nH]c(F)n1)C(=O)O