[
  {
    "molid": "mol29499",
    "smiles": "O=C1NCC(=O)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NCC(=O)C(=O)N1",
        "std_free_energy": -5.854086875915527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[nH][cH-]c(=O)c(=O)[nH]1",
        "std_free_energy": -4.532067775726318,
        "relative_population": 0.8592280753323788
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)C(=O)CN1",
        "std_free_energy": -2.634634017944336,
        "relative_population": 0.12884377727149837
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]