[
  {
    "molid": "mol30257",
    "smiles": "OC[C@H]1NC[C@H](O)[C@@H](F)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1NC[C@H](O)[C@@H](F)[C@@H]1O",
        "std_free_energy": -5.15549373626709,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "OC[C@H]1[NH2+]C[C@H](O)[C@@H](F)[C@@H]1O",
        "std_free_energy": -7.666852951049805,
        "relative_population": 0.9713535235396261
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]