[
  {
    "molid": "mol16014",
    "smiles": "Nn1cnnc1S",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nn1cnnc1S",
        "std_free_energy": -5.631960391998291,
        "relative_population": 0.9998694925808888
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nn1cnnc1[S-]",
        "std_free_energy": -3.6988742351531982,
        "relative_population": 0.9977470714729572
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.4699998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.46999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]