[
  {
    "molid": "mol37128",
    "smiles": "O=P(O)(CSCc1ccccc1)CSCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(CSCc1ccccc1)CSCc1ccccc1",
        "std_free_energy": -2.463124990463257,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(CSCc1ccccc1)CSCc1ccccc1",
        "std_free_energy": -10.879008293151855,
        "relative_population": 0.9999997814192518
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.02999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]