pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.535	OCHEM	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@H](C(=O)O)CC1	mol32986	O=C(O)C1CCC(C(=O)O)CC1
4.44000005722046	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@H](C(=O)O)CC1	mol32986	O=C(O)C1CCC(C(=O)O)CC1
4.17999982833862	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@H](C(=O)O)CC1	mol32986	O=C(O)C1CCC(C(=O)O)CC1
4.28999996185303	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@H](C(=O)O)CC1	mol32986	O=C(O)C1CCC(C(=O)O)CC1
5.42000007629395	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@H](C(=O)O)CC1	mol32986	O=C(O)C1CCC(C(=O)O)CC1