[
  {
    "molid": "mol14039",
    "smiles": "On1nnc2ccc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "On1nnc2ccc(Cl)cc21",
        "std_free_energy": -2.8732242584228516,
        "relative_population": 0.999998168974115
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]n1nnc2ccc(Cl)cc21",
        "std_free_energy": -8.580897331237793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.1500001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]