pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	AttenGpKa training set	1	0	O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1c[nH+]c[nH]1	O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1	mol25628	O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1