pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	AttenGpKa training set	0	-1	CCCCCC[C@@H](C)[C@H](Oc1ccccc1)C(=O)O	CCCCCC[C@@H](C)[C@H](Oc1ccccc1)C(=O)[O-]	mol29034	CCCCCCC(C)C(Oc1ccccc1)C(=O)O