[
  {
    "molid": "mol1669",
    "smiles": "CSc1c(Cl)cc(N)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSc1c(Cl)cc(N)cc1Cl",
        "std_free_energy": -6.64450216293335,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CSc1c(Cl)cc([NH3+])cc1Cl",
        "std_free_energy": 1.8490601778030396,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      },
      {
        "pka_value": 1.66999995708466,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]