[
  {
    "molid": "mol26439",
    "smiles": "Fc1cc(F)c2[nH]cnc2c1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1cc(F)c2[nH]cnc2c1F",
        "std_free_energy": -6.046082496643066,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1cc(F)c2[nH]c[nH+]c2c1F",
        "std_free_energy": 1.3175352811813354,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Fc1cc(F)c2[n-]cnc2c1F",
        "std_free_energy": 2.010082244873047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]