[
  {
    "molid": "mol23705",
    "smiles": "Nc1nccc(Cl)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nccc(Cl)n1",
        "std_free_energy": -8.15345573425293,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1nccc(Cl)n1",
        "std_free_energy": 0.784481942653656,
        "relative_population": 0.3578438195675585
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nccc(Cl)[nH+]1",
        "std_free_energy": 0.8301440477371216,
        "relative_population": 0.34187136067846596
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1nc(Cl)cc[nH+]1",
        "std_free_energy": 0.9598471522331238,
        "relative_population": 0.3002848197539756
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]