pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Datawarrior	0	-1	C[C@@H]1CCC[C@H]([C@H](C)C(=O)O)C1	C[C@@H]1CCC[C@H]([C@H](C)C(=O)[O-])C1	mol12517	CC1CCCC(C(C)C(=O)O)C1
4.5900002	OCHEM	0	-1	C[C@@H]1CCC[C@H]([C@H](C)C(=O)O)C1	C[C@@H]1CCC[C@H]([C@H](C)C(=O)[O-])C1	mol12517	CC1CCCC(C(C)C(=O)O)C1