[
  {
    "molid": "mol14946",
    "smiles": "SCCN(Cc1ccccc1)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "SCCN(Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": -4.621026039123535,
        "relative_population": 0.7414133699908518
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[S-]CC[NH+](Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": -3.5676984786987305,
        "relative_population": 0.2585866300091482
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]CCN(Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": 3.1578474044799805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.6199999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]