[
  {
    "molid": "mol28998",
    "smiles": "O=P(O)(O)c1ccc(-c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1ccc(-c2ccccc2)cc1",
        "std_free_energy": -12.42543888092041,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1ccc(-c2ccccc2)cc1",
        "std_free_energy": -11.721977233886719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]