[
  {
    "molid": "mol33860",
    "smiles": "Cn1c(=O)c2[nH]c(=O)c(=O)[nH]c2n(C)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)c2[nH]c(=O)c(=O)[nH]c2n(C)c1=O",
        "std_free_energy": -3.9500231742858887,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)c2[nH]c(=O)c(=O)[n-]c2n(C)c1=O",
        "std_free_energy": -6.297860145568848,
        "relative_population": 0.540521130757534
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(=O)c2[n-]c(=O)c(=O)[nH]c2n(C)c1=O",
        "std_free_energy": -6.1354193687438965,
        "relative_population": 0.459478869242466
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]