[
  {
    "molid": "mol32754",
    "smiles": "CC1C(N)C(C)C(N)C(C)C1N",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@@H]1[C@H](N)[C@@H](C)[C@@H]([NH3+])[C@@H](C)[C@@H]1[NH3+]",
        "std_free_energy": -8.15346908569336,
        "relative_population": 1.0
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C[C@H]1[C@H]([NH3+])[C@H](C)[C@H]([NH3+])[C@@H](C)[C@H]1[NH3+]",
        "std_free_energy": -4.856201648712158,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8299999,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "OCHEM"
      }
    ]
  }
]