pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88000011444092	QSARToolbox	0	-1	C[C@H]1CCC[C@@H](C(=O)O)C1	C[C@H]1CCC[C@@H](C(=O)[O-])C1	mol22287	C[C@H]1CCC[C@@H](C(=O)O)C1
4.88	AttenGpKa training set	0	-1	C[C@H]1CCC[C@@H](C(=O)O)C1	C[C@H]1CCC[C@@H](C(=O)[O-])C1	mol22287	C[C@H]1CCC[C@@H](C(=O)O)C1