[
  {
    "molid": "mol37127",
    "smiles": "O=P(O)(C[S+]([O-])Cc1ccccc1)C[S+]([O-])Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=P([O-])(C[S@@+]([O-])Cc1ccccc1)C[S@@+](O)Cc1ccccc1",
        "std_free_energy": -9.000395774841309,
        "relative_population": 0.9993286676982045
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(C[S@@+]([O-])Cc1ccccc1)C[S@@+]([O-])Cc1ccccc1",
        "std_free_energy": -11.459309577941895,
        "relative_population": 0.9999395470667769
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]