[
  {
    "molid": "mol26244",
    "smiles": "CN1C(=O)Nc2nccnc2C1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)[N-]c2nccnc2[C@@H]1O",
        "std_free_energy": 0.25518372654914856,
        "relative_population": 0.056056544439416094
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN1C(=O)Nc2nccnc2[C-]1O",
        "std_free_energy": -2.5643150806427,
        "relative_population": 0.9399810454378508
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN1C(=O)[N-]c2nccnc2[C@@H]1[O-]",
        "std_free_energy": 6.3592681884765625,
        "relative_population": 0.053034406301109636
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CN1C(=O)Nc2nccnc2[C-]1[O-]",
        "std_free_energy": 3.6883974075317383,
        "relative_population": 0.7664823408516617
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CN1C(=O)[N-]c2nccnc2[C-]1O",
        "std_free_energy": 5.134571075439453,
        "relative_population": 0.18048325284722863
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.01,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]