[
  {
    "molid": "mol28953",
    "smiles": "O=P(O)(O)C(F)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)[C@H](F)c1ccccc1",
        "std_free_energy": -13.02891731262207,
        "relative_population": 0.9999955785117924
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])[C@H](F)c1ccccc1",
        "std_free_energy": -13.152992248535156,
        "relative_population": 0.9999998228656464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]