pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.51	AttenGpKa training set	1	0	CCc1[nH][nH+]c(CC)c1C	CCc1n[nH]c(CC)c1C	mol6838	CCc1n[nH]c(CC)c1C