[
  {
    "molid": "mol8139",
    "smiles": "Cc1nc2c(O)nc(=O)n(C)c2nc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2c(O)nc(=O)n(C)c2nc1O",
        "std_free_energy": -6.100465297698975,
        "relative_population": 0.9999991070546083
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc2c(O)nc(=O)n(C)c2[nH+]c1O",
        "std_free_energy": 10.607964515686035,
        "relative_population": 0.35168567859760674
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1nc2c(O)[nH+]c(=O)n(C)c2nc1O",
        "std_free_energy": 10.381699562072754,
        "relative_population": 0.4409814326636063
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cc1[nH+]c2c(O)nc(=O)n(C)c2nc1O",
        "std_free_energy": 11.137978553771973,
        "relative_population": 0.20700103226857922
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2c([O-])nc(=O)n(C)c2nc1O",
        "std_free_energy": -4.673876762390137,
        "relative_population": 0.7298592513314934
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1nc2c(O)nc(=O)n(C)c2nc1[O-]",
        "std_free_energy": -3.679826259613037,
        "relative_population": 0.2701024162125082
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.6300001144409,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]