[
  {
    "molid": "mol6959",
    "smiles": "Clc1ccc(N2CCCCC2)nn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(N2CCCCC2)nn1",
        "std_free_energy": -7.534943580627441,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(N2CCCCC2)[nH+]n1",
        "std_free_energy": 2.682863473892212,
        "relative_population": 0.29092657547359946
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ccc(N2CCCCC2)n[nH+]1",
        "std_free_energy": 3.1865313053131104,
        "relative_population": 0.1758098627800364
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1ccc([NH+]2CCCCC2)nn1",
        "std_free_energy": 2.076918601989746,
        "relative_population": 0.533263561746364
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]