[
  {
    "molid": "mol36315",
    "smiles": "O=C(O)Cn1nnnc1CCCn1nnc(-c2ccccc2)n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(O)Cn1nnnc1CCCn1nnc(-c2ccccc2)n1",
        "std_free_energy": -2.6917786598205566,
        "relative_population": 0.9983798335141985
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cn1nnnc1CCCn1nnc(-c2ccccc2)n1",
        "std_free_energy": -11.729333877563477,
        "relative_population": 0.9999513970379511
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]