[
  {
    "molid": "mol32760",
    "smiles": "CC1C(N)C1N",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1[C@@H](N)[C@H]1[NH3+]",
        "std_free_energy": -8.948522567749023,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@@H]1[C@@H]([NH3+])[C@H]1[NH3+]",
        "std_free_energy": -2.94472599029541,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9799995,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]