pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	AttenGpKa training set	1	0	OCC(CO)[NH2+]C[C@@H](O)COc1cc2ccccc2c2ccccc12	OCC(CO)NC[C@@H](O)COc1cc2ccccc2c2ccccc12	mol24421	OCC(CO)NCC(O)COc1cc2ccccc2c2ccccc12