[
  {
    "molid": "mol33265",
    "smiles": "SC1CNCCN1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "S[C@@H]1CNCC[NH2+]1",
        "std_free_energy": -6.373537063598633,
        "relative_population": 0.17686484734578115
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "S[C@@H]1C[NH2+]CCN1",
        "std_free_energy": -7.908068656921387,
        "relative_population": 0.8205029122693767
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "S[C@@H]1C[NH2+]CC[NH2+]1",
        "std_free_energy": -1.5183790922164917,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.73,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]