pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	Datawarrior	0	-1	CCC[C@H]([NH3+])C(=O)[O-]	CCC[C@H](N)C(=O)[O-]	mol12492	CCCC(N)C(=O)O
9.8599997	OCHEM	0	-1	CCC[C@H]([NH3+])C(=O)[O-]	CCC[C@H](N)C(=O)[O-]	mol12492	CCCC(N)C(=O)O
9.8	OCHEM	0	-1	CCC[C@H]([NH3+])C(=O)[O-]	CCC[C@H](N)C(=O)[O-]	mol12492	CCCC(N)C(=O)O
2.3135	OCHEM	1	0	CCC[C@H]([NH3+])C(=O)O	CCC[C@H]([NH3+])C(=O)[O-]	mol12492	CCCC(N)C(=O)O
2.35999989509583	QSARToolbox	1	0	CCC[C@H]([NH3+])C(=O)O	CCC[C@H]([NH3+])C(=O)[O-]	mol12492	CCCC(N)C(=O)O
2.3199999332428	QSARToolbox	1	0	CCC[C@H]([NH3+])C(=O)O	CCC[C@H]([NH3+])C(=O)[O-]	mol12492	CCCC(N)C(=O)O