[
  {
    "molid": "mol29065",
    "smiles": "COC(=O)c1ccccc1OP(=O)(O)OP(=O)(O)Oc1ccccc1C(=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1ccccc1O[P@](=O)(O)O[P@](=O)(O)Oc1ccccc1C(=O)OC",
        "std_free_energy": 0.8799641132354736,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1ccccc1O[P@](=O)([O-])O[P@](=O)(O)Oc1ccccc1C(=O)OC",
        "std_free_energy": -11.66876220703125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]