pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	0	-1	[NH3+][C@@H](CCC(F)(F)F)C(=O)[O-]	N[C@@H](CCC(F)(F)F)C(=O)[O-]	mol33031	NC(CCC(F)(F)F)C(=O)O
8.91600036621094	QSARToolbox	0	-1	[NH3+][C@@H](CCC(F)(F)F)C(=O)[O-]	N[C@@H](CCC(F)(F)F)C(=O)[O-]	mol33031	NC(CCC(F)(F)F)C(=O)O
2.042	OCHEM	1	0	[NH3+][C@@H](CCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCC(F)(F)F)C(=O)[O-]	mol33031	NC(CCC(F)(F)F)C(=O)O
2.42000007629395	QSARToolbox	1	0	[NH3+][C@@H](CCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCC(F)(F)F)C(=O)[O-]	mol33031	NC(CCC(F)(F)F)C(=O)O
2.03999996185303	QSARToolbox	1	0	[NH3+][C@@H](CCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCC(F)(F)F)C(=O)[O-]	mol33031	NC(CCC(F)(F)F)C(=O)O