[
  {
    "molid": "mol26484",
    "smiles": "Fc1c(F)c(F)c2[nH]cnc2c1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1c(F)c(F)c2[nH]cnc2c1F",
        "std_free_energy": -5.845547676086426,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1c(F)c(F)c2[nH+]c[nH]c2c1F",
        "std_free_energy": 2.029163360595703,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Fc1c(F)c(F)c2[n-]cnc2c1F",
        "std_free_energy": 1.1607924699783325,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]