pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.35	AttenGpKa training set	1	0	CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)[NH+]2C)c1ccccc1	CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1	mol29909	CC(=O)OC[C@@H](C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1