[
  {
    "molid": "mol36521",
    "smiles": "CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+]1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2",
        "std_free_energy": -11.764683723449707,
        "relative_population": 0.9999524672456023
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1[C@@H]2CC=C(C(=O)[O-])[C@H]1CC2",
        "std_free_energy": -1.7330305576324463,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8500003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.0500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]