[
  {
    "molid": "mol37111",
    "smiles": "O=C(CN1C(Cc2ccccc2)CS1(=O)=O)NO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)NO",
        "std_free_energy": -6.443692207336426,
        "relative_population": 0.9999987865516144
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)N[O-]",
        "std_free_energy": -2.005336284637451,
        "relative_population": 0.7901879478759464
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)[N-]O",
        "std_free_energy": -0.6792775988578796,
        "relative_population": 0.20981205212405366
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.59000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]