pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.08	AttenGpKa training set	1	0	COC1=C/C(=[NH+]/CCc2ccccc2)CCC1	COC1=C/C(=N/CCc2ccccc2)CCC1	mol26984	COC1=C/C(=N/CCc2ccccc2)CCC1