[
  {
    "molid": "mol15837",
    "smiles": "C[C@]1(N)C[C@@H]1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(N)C[C@@H]1N",
        "std_free_energy": -2.3556878566741943,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@]1([NH3+])C[C@@H]1N",
        "std_free_energy": -7.735532760620117,
        "relative_population": 0.5425503932842873
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@]1(N)C[C@@H]1[NH3+]",
        "std_free_energy": -7.564918518066406,
        "relative_population": 0.4574496067157128
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@]1([NH3+])C[C@@H]1[NH3+]",
        "std_free_energy": -6.8269524574279785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.83,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]