[
  {
    "molid": "mol34417",
    "smiles": "O=C(CS)OCCS",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CS)OCCS",
        "std_free_energy": -5.138537406921387,
        "relative_population": 0.9999993511065385
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(C[S-])OCCS",
        "std_free_energy": -2.947054386138916,
        "relative_population": 0.8352930854057228
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(CS)OCC[S-]",
        "std_free_energy": -1.321979284286499,
        "relative_population": 0.16446660852292885
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]