[
  {
    "molid": "mol36921",
    "smiles": "[O-][N+](O)=CC(SCCO)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][N+](O)=C[C@H](SCCO)c1ccccc1",
        "std_free_energy": -3.0931389331817627,
        "relative_population": 0.9947130611813453
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-][N+]([O-])=C[C@H](SCCO)c1ccccc1",
        "std_free_energy": -6.754608154296875,
        "relative_population": 0.9955267526794314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]