[
  {
    "molid": "mol37149",
    "smiles": "C=C(CP(=O)(O)O)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "C=C(CP(=O)([O-])[O-])CP(=O)([O-])O",
        "std_free_energy": -13.561171531677246,
        "relative_population": 0.9999968809941301
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "C=C(CP(=O)([O-])O)CP(=O)([O-])O",
        "std_free_energy": -13.242427825927734,
        "relative_population": 0.8799748616869594
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "C=C(CP(=O)([O-])[O-])CP(=O)(O)O",
        "std_free_energy": -11.24991226196289,
        "relative_population": 0.11998632486556701
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.44999980926514,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]