[
  {
    "molid": "mol26954",
    "smiles": "O=C(NC1C(=O)CCC1=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NC1C(=O)CCC1=O)c1ccccc1",
        "std_free_energy": -5.1871795654296875,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[C-]1C(=O)CCC1=O)c1ccccc1",
        "std_free_energy": -4.67986536026001,
        "relative_population": 0.9392192090306921
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]