[
  {
    "molid": "mol11563",
    "smiles": "NC(=O)C1C(=O)NC(=O)C1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)[C@@H]1C(=O)NC(=O)[C@H]1c1ccccc1",
        "std_free_energy": -5.683595180511475,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=O)[C@@H]1C(=O)NC(=O)[C@H]1c1ccccc1",
        "std_free_energy": -0.8693733811378479,
        "relative_population": 0.11889791457021533
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[C-]1C(=O)NC(=O)[C@H]1c1ccccc1",
        "std_free_energy": -2.082818031311035,
        "relative_population": 0.4000981589416537
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC(=O)[C@@H]1C(=O)[N-]C(=O)[C@H]1c1ccccc1",
        "std_free_energy": -1.3539690971374512,
        "relative_population": 0.19303296553181026
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "NC(=O)[C@@H]1C(=O)NC(=O)[C-]1c1ccccc1",
        "std_free_energy": -1.7539677619934082,
        "relative_population": 0.28797096095632085
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]