[
  {
    "molid": "mol2442",
    "smiles": "c1ccc(/N=N/c2ccccn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(/N=N/c2ccccn2)cc1",
        "std_free_energy": -8.29915714263916,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(/N=[NH+]/c2ccccn2)cc1",
        "std_free_energy": 1.1682648658752441,
        "relative_population": 0.8339633307088652
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(/N=N/c2cccc[nH+]2)cc1",
        "std_free_energy": 2.782245635986328,
        "relative_population": 0.16603666929113484
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]