pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.74	Datawarrior	0	-1	C[C@H]1CCCC[C@@H]1C(=O)O	C[C@H]1CCCC[C@@H]1C(=O)[O-]	mol12912	C[C@H]1CCCC[C@@H]1C(=O)O
4.73999977111816	QSARToolbox	0	-1	C[C@H]1CCCC[C@@H]1C(=O)O	C[C@H]1CCCC[C@@H]1C(=O)[O-]	mol12912	C[C@H]1CCCC[C@@H]1C(=O)O