[
  {
    "molid": "mol30735",
    "smiles": "O=C1C=CC(=Nc2ccc(O)c(Cl)c2)C=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=CC(=Nc2ccc(O)c(Cl)c2)C=C1",
        "std_free_energy": -5.2562994956970215,
        "relative_population": 0.9935697892186213
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=CC(=Nc2ccc([O-])c(Cl)c2)C=C1",
        "std_free_energy": -3.9195077419281006,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]