[
  {
    "molid": "mol34120",
    "smiles": "CC1(C)NC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)NC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O",
        "std_free_energy": -5.945941925048828,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[N-]C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O",
        "std_free_energy": -0.2982189655303955,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.1099996566772,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]