pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	1	0	[NH3+]CCc1c2ccccc2nc2ccccc12,NCCc1c2ccccc2[nH+]c2ccccc12	NCCc1c2ccccc2nc2ccccc12	mol26647	NCCc1c2ccccc2nc2ccccc12