[
  {
    "molid": "mol13973",
    "smiles": "CC12CN3CC(C)(C1)CC(C)(C3)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12CN3C[C@](C)(C1)C[C@@](C)(C3)C2",
        "std_free_energy": 0.2302994430065155,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@]12C[NH+]3C[C@](C)(C1)C[C@@](C)(C3)C2",
        "std_free_energy": -9.577128410339355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]