[
  {
    "molid": "mol26933",
    "smiles": "O=C1CCC(O)=C1NC(=O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(O)=C1NC(=O)C(F)(F)F",
        "std_free_energy": -2.1763298511505127,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCC([O-])=C1NC(=O)C(F)(F)F",
        "std_free_energy": -8.319992065429688,
        "relative_population": 0.9148374666230913
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1CCC(O)=C1[N-]C(=O)C(F)(F)F",
        "std_free_energy": -5.860780239105225,
        "relative_population": 0.0782207213277762
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]