[
  {
    "molid": "mol37140",
    "smiles": "O=P(O)(O)C(F)c1ccc(C(F)P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=P([O-])([O-])[C@H](F)c1ccc([C@H](F)P(=O)([O-])O)cc1",
        "std_free_energy": -14.193235397338867,
        "relative_population": 0.9991344853724247
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])[C@H](F)c1ccc([C@H](F)P(=O)(O)O)cc1",
        "std_free_energy": -11.327723503112793,
        "relative_population": 0.09488490453999318
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=P([O-])(O)[C@H](F)c1ccc([C@H](F)P(=O)([O-])O)cc1",
        "std_free_energy": -13.581902503967285,
        "relative_population": 0.9040128969245682
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.01999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.36999988555908,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]