[
  {
    "molid": "mol15109",
    "smiles": "O=C(O)C12CC3CC(CC(F)(C3)C1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2",
        "std_free_energy": -3.539088726043701,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2",
        "std_free_energy": -9.402851104736328,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.2199998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]