[
  {
    "molid": "mol38300",
    "smiles": "CN[C@@H]1C[C@H]1NC",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN[C@@H]1C[C@H]1[NH2+]C",
        "std_free_energy": -7.646958351135254,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+][C@@H]1C[C@H]1[NH2+]C",
        "std_free_energy": -4.799644947052002,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.65000009536743,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]