pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.92	Datawarrior	1	0	[NH3+][C@H]1CC[C@H](C(=O)O)CC1	[NH3+][C@H]1CC[C@H](C(=O)[O-])CC1	mol13055	N[C@H]1CC[C@H](C(=O)O)CC1
3.45000004768372	QSARToolbox	1	0	[NH3+][C@H]1CC[C@H](C(=O)O)CC1	[NH3+][C@H]1CC[C@H](C(=O)[O-])CC1	mol13055	N[C@H]1CC[C@H](C(=O)O)CC1
4.3899998664856	QSARToolbox	1	0	[NH3+][C@H]1CC[C@H](C(=O)O)CC1	[NH3+][C@H]1CC[C@H](C(=O)[O-])CC1	mol13055	N[C@H]1CC[C@H](C(=O)O)CC1