[
  {
    "molid": "mol36813",
    "smiles": "S=C(S)NCCNC(=S)S",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "S=C(S)NCCNC(=S)S",
        "std_free_energy": -1.9572300910949707,
        "relative_population": 0.9999587409855651
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=C([S-])NCCNC(=S)S",
        "std_free_energy": -9.996841430664062,
        "relative_population": 0.9998607441764783
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]