[
  {
    "molid": "mol35669",
    "smiles": "CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH+]1CC[C@@]2(C)c3cc([O-])ccc3C[C@@H]1[C@@H]2C",
        "std_free_energy": -2.537081003189087,
        "relative_population": 0.6597841117087406
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C",
        "std_free_energy": -1.874748706817627,
        "relative_population": 0.3402158882912593
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN1CC[C@@]2(C)c3cc([O-])ccc3C[C@@H]1[C@@H]2C",
        "std_free_energy": 6.046228408813477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.42000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]