[
  {
    "molid": "mol29794",
    "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C",
        "std_free_energy": -7.3931403160095215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc([O-])ccc4[C@H]3CC[C@@]21C",
        "std_free_energy": 2.152621269226074,
        "relative_population": 0.9855339736646159
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C#C[C@]1([O-])CC[C@H]2[C@@H]3CCc4cc([O-])ccc4[C@H]3CC[C@@]21C",
        "std_free_energy": 13.205720901489258,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.3000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]