[
  {
    "molid": "mol24535",
    "smiles": "SCCN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "SCCN1CCCCC1",
        "std_free_energy": -2.7147622108459473,
        "relative_population": 0.09469470571959115
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[S-]CC[NH+]1CCCCC1",
        "std_free_energy": -4.972376346588135,
        "relative_population": 0.9053052942804088
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "SCC[NH+]1CCCCC1",
        "std_free_energy": -8.771798133850098,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]CCN1CCCCC1",
        "std_free_energy": 5.553623199462891,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.94999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]