pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	Datawarrior	0	-1	C[C@@H]1CCC[C@@H](C)C1C(=O)O	C[C@@H]1CCC[C@@H](C)C1C(=O)[O-]	mol14098	CC1CCCC(C)C1C(=O)O
4.8800001	OCHEM	0	-1	C[C@@H]1CCC[C@@H](C)C1C(=O)O	C[C@@H]1CCC[C@@H](C)C1C(=O)[O-]	mol14098	CC1CCCC(C)C1C(=O)O
4.88000011444092	QSARToolbox	0	-1	C[C@@H]1CCC[C@@H](C)C1C(=O)O	C[C@@H]1CCC[C@@H](C)C1C(=O)[O-]	mol14098	CC1CCCC(C)C1C(=O)O