[
  {
    "molid": "mol35056",
    "smiles": "CC(C)=C1C2C3(C(=O)O)C2(C(=O)O)C2(C(=O)O)C1C32C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=C1[C@H]2[C@]3(C(=O)[O-])[C@@]2(C(=O)O)[C@]2(C(=O)O)[C@H]1[C@]32C(=O)O",
        "std_free_energy": -4.470121383666992,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)=C1[C@@H]2[C@]3(C(=O)[O-])[C@]4(C(=O)[O-])[C@H]1[C@]4(C(=O)O)[C@]23C(=O)O",
        "std_free_energy": -10.927742004394531,
        "relative_population": 0.6273990882432554
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)=C1[C@H]2[C@]3(C(=O)[O-])[C@@]2(C(=O)O)[C@]2(C(=O)[O-])[C@H]1[C@]32C(=O)O",
        "std_free_energy": -9.01878547668457,
        "relative_population": 0.09300249444801087
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(C)=C1[C@@H]2[C@@]3(C(=O)[O-])[C@]2(C(=O)[O-])[C@@]2(C(=O)O)[C@@H]1[C@@]32C(=O)O",
        "std_free_energy": -10.119513511657715,
        "relative_population": 0.2795984173087338
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.61000001430511,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]