pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Datawarrior	0	-1	[NH3+][C@H]1CCCC[C@@H]1C(=O)[O-]	N[C@H]1CCCC[C@@H]1C(=O)[O-]	mol13052	N[C@H]1CCCC[C@@H]1C(=O)O
3.59	Datawarrior	1	0	[NH3+][C@H]1CCCC[C@@H]1C(=O)O	[NH3+][C@H]1CCCC[C@@H]1C(=O)[O-]	mol13052	N[C@H]1CCCC[C@@H]1C(=O)O
3.78999996185303	QSARToolbox	1	0	[NH3+][C@H]1CCCC[C@@H]1C(=O)O	[NH3+][C@H]1CCCC[C@@H]1C(=O)[O-]	mol13052	N[C@H]1CCCC[C@@H]1C(=O)O
3.58999991416931	QSARToolbox	1	0	[NH3+][C@H]1CCCC[C@@H]1C(=O)O	[NH3+][C@H]1CCCC[C@@H]1C(=O)[O-]	mol13052	N[C@H]1CCCC[C@@H]1C(=O)O