pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	Datawarrior	1	0	CC(C)CC[C@@H]([NH3+])C(=O)O	CC(C)CC[C@@H]([NH3+])C(=O)[O-]	mol13129	CC(C)CCC(N)C(=O)O
3.0599999	OCHEM	1	0	CC(C)CC[C@@H]([NH3+])C(=O)O	CC(C)CC[C@@H]([NH3+])C(=O)[O-]	mol13129	CC(C)CCC(N)C(=O)O
3.05999994277954	QSARToolbox	1	0	CC(C)CC[C@@H]([NH3+])C(=O)O	CC(C)CC[C@@H]([NH3+])C(=O)[O-]	mol13129	CC(C)CCC(N)C(=O)O