pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.31	AttenGpKa training set	0	-1	CCC[C@H](C(=O)O)[C@H](CCC)C(=O)O	CCC[C@H](C(=O)[O-])[C@H](CCC)C(=O)O	mol22604	CCCC(C(=O)O)C(CCC)C(=O)O