[
  {
    "molid": "mol37123",
    "smiles": "O=P(O)(COCc1ccccc1)COCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(COCc1ccccc1)COCc1ccccc1",
        "std_free_energy": -2.429847478866577,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(COCc1ccccc1)COCc1ccccc1",
        "std_free_energy": -11.57325267791748,
        "relative_population": 0.9999999300188913
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.73000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]