pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.13	AttenGpKa training set	1	0	CCCc1[nH]c2ccccc2[nH+]1	CCCc1nc2ccccc2[nH]1	mol26403	CCCc1nc2ccccc2[nH]1
