[
  {
    "molid": "mol1723",
    "smiles": "Nc1c(Cl)cc(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c(Cl)cc(Cl)cc1Cl",
        "std_free_energy": -7.188655376434326,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1c(Cl)cc(Cl)cc1Cl",
        "std_free_energy": 7.820267677307129,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]