[
  {
    "molid": "mol32627",
    "smiles": "CC1CC(C=C2CC(C)(C)CN2)=NC1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CC(C=C2CC(C)(C)CN2)=NC1(C)C",
        "std_free_energy": 0.9000213146209717,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1CC(C=C2CC(C)(C)C[NH2+]2)=NC1(C)C",
        "std_free_energy": -9.516810417175293,
        "relative_population": 0.12934332959002603
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H]1CC(C=C2CC(C)(C)CN2)=[NH+]C1(C)C",
        "std_free_energy": -11.423587799072266,
        "relative_population": 0.8706566704099741
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]