[
  {
    "molid": "mol32730",
    "smiles": "CSC1CCCC1N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS[C@@H]1CCC[C@H]1N(C)C",
        "std_free_energy": -2.5007123947143555,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CS[C@@H]1CCC[C@H]1[NH+](C)C",
        "std_free_energy": -8.216934204101562,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8500004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]