[
  {
    "molid": "mol12966",
    "smiles": "NC(=S)C1(N)CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=S)C1(N)CCCCC1",
        "std_free_energy": -12.192779541015625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=S)C1([NH3+])CCCCC1",
        "std_free_energy": -13.202993392944336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]