pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.31	AttenGpKa training set	0	-1	Oc1ccc(C2CCCC2)cc1	[O-]c1ccc(C2CCCC2)cc1	mol30554	Oc1ccc(C2CCCC2)cc1