[
  {
    "molid": "mol15100",
    "smiles": "Oc1cc2nc(c1)COCCOCCSCCOCCOC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cc2nc(c1)COCCOCCSCCOCCOC2",
        "std_free_energy": -7.068047046661377,
        "relative_population": 0.9992266588962861
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc2nc(c1)COCCOCCSCCOCCOC2",
        "std_free_energy": 1.2383029460906982,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.1300001144409,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]