[
  {
    "molid": "mol12859",
    "smiles": "Cc1c(Cl)ccc2c1nnn2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(Cl)ccc2c1nnn2O",
        "std_free_energy": -2.8266313076019287,
        "relative_population": 0.9999444959505445
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(Cl)ccc2c1nnn2[O-]",
        "std_free_energy": -8.431777000427246,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.0900002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.09000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]