pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	AttenGpKa training set	1	0	C(=C/c1cccc(/C=C/c2ccccc2)[nH+]1)\c1ccccc1	C(=C/c1cccc(/C=C/c2ccccc2)n1)\c1ccccc1	mol25141	C(=C/c1cccc(/C=C/c2ccccc2)n1)\c1ccccc1