pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.65	Datawarrior	-1	-2	CC(C)(C)C(=O)N[C@@H]([O-])C(Cl)(Cl)Cl	CC(C)(C)C(=O)[N-][C@@H]([O-])C(Cl)(Cl)Cl	mol13701	CC(C)(C)C(=O)NC(O)C(Cl)(Cl)Cl
14.6499996185303	QSARToolbox	-1	-2	CC(C)(C)C(=O)N[C@@H]([O-])C(Cl)(Cl)Cl	CC(C)(C)C(=O)[N-][C@@H]([O-])C(Cl)(Cl)Cl	mol13701	CC(C)(C)C(=O)NC(O)C(Cl)(Cl)Cl