pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.69	AttenGpKa training set	1	0	OCC(CO)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1	OCC(CO)NC[C@@H](O)COc1ccc2ccccc2c1	mol24416	OCC(CO)NCC(O)COc1ccc2ccccc2c1