pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.781	IUPAC digitized pKa	0	-1	[NH3+][C@H](C(=O)[O-])[C@H](O)C(F)(F)F	N[C@H](C(=O)[O-])[C@H](O)C(F)(F)F	mol5475	N[C@H](C(=O)O)[C@H](O)C(F)(F)F
1.55	IUPAC digitized pKa	1	0	[NH3+][C@H](C(=O)O)[C@H](O)C(F)(F)F	[NH3+][C@H](C(=O)[O-])[C@H](O)C(F)(F)F	mol5475	N[C@H](C(=O)O)[C@H](O)C(F)(F)F
12.65	IUPAC digitized pKa	-1	-2	N[C@H](C(=O)[O-])[C@H](O)C(F)(F)F	N[C@H](C(=O)[O-])[C@H]([O-])C(F)(F)F	mol5475	N[C@H](C(=O)O)[C@H](O)C(F)(F)F