[
  {
    "molid": "mol4024",
    "smiles": "Cn1ccc(=S)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1ccc(=S)cn1",
        "std_free_energy": -7.209601402282715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1ccc(=S)c[nH+]1",
        "std_free_energy": 2.736272096633911,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.829999983310699,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]