[
  {
    "molid": "mol38299",
    "smiles": "CN[C@@H]1C[C@@]1(C)NC",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN[C@@H]1C[C@@]1(C)[NH2+]C",
        "std_free_energy": -7.988132476806641,
        "relative_population": 0.5598446112630774
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN[C@]1(C)C[C@H]1[NH2+]C",
        "std_free_energy": -7.74760103225708,
        "relative_population": 0.44015538873692267
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+][C@@H]1C[C@@]1(C)[NH2+]C",
        "std_free_energy": -5.978609085083008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.51999998092651,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]