[
  {
    "molid": "mol29944",
    "smiles": "COc1ccc(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC",
        "std_free_energy": -2.3875021934509277,
        "relative_population": 1.0
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "COc1ccc(C(=O)O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1OC",
        "std_free_energy": -10.260170936584473,
        "relative_population": 0.9999906639726877
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]