[
  {
    "molid": "mol30845",
    "smiles": "C=CCc1cc(/N=N/c2ccccc2)c(O)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CCc1cc(/N=N/c2ccccc2)c(O)c(OC)c1",
        "std_free_energy": -6.693085193634033,
        "relative_population": 0.9999524295546616
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CCc1cc(/N=N/c2ccccc2)c([O-])c(OC)c1",
        "std_free_energy": -1.617060661315918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]