pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	OCHEM	0	-1	[NH3+][C@H]1CCCC[C@H]1C(=O)[O-]	N[C@H]1CCCC[C@H]1C(=O)[O-]	mol32427	NC1CCCCC1C(=O)O
3.5899999	OCHEM	1	0	[NH3+][C@H]1CCCC[C@H]1C(=O)O	[NH3+][C@H]1CCCC[C@H]1C(=O)[O-]	mol32427	NC1CCCCC1C(=O)O
3.59	OCHEM	1	0	[NH3+][C@H]1CCCC[C@H]1C(=O)O	[NH3+][C@H]1CCCC[C@H]1C(=O)[O-]	mol32427	NC1CCCCC1C(=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-]	mol32427	NC1CCCCC1C(=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-]	mol32427	NC1CCCCC1C(=O)O
1.21000003814697	QSARToolbox	1	0	[NH3+][C@H]1CCCC[C@H]1C(=O)O	[NH3+][C@H]1CCCC[C@H]1C(=O)[O-]	mol32427	NC1CCCCC1C(=O)O