pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	AttenGpKa training set	0	-1	[NH3+][C@@H](C(=O)[O-])C(F)(F)c1c(F)c(F)c(F)c(F)c1F	N[C@@H](C(=O)[O-])C(F)(F)c1c(F)c(F)c(F)c(F)c1F	mol29391	NC(C(=O)O)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
2.3	AttenGpKa training set	1	0	[NH3+][C@@H](C(=O)O)C(F)(F)c1c(F)c(F)c(F)c(F)c1F	[NH3+][C@@H](C(=O)[O-])C(F)(F)c1c(F)c(F)c(F)c(F)c1F	mol29391	NC(C(=O)O)C(F)(F)c1c(F)c(F)c(F)c(F)c1F