[
  {
    "molid": "mol11630",
    "smiles": "S=C(S)N(C1CCCC1)C1CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C(S)N(C1CCCC1)C1CCCC1",
        "std_free_energy": -3.9843239784240723,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=C([S-])N(C1CCCC1)C1CCCC1",
        "std_free_energy": -10.0770263671875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]