[
  {
    "molid": "mol11019",
    "smiles": "CN1CC(O)C2=CC(=NO)C(=O)C=C21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C[C@H](O)C2=CC(=NO)C(=O)C=C21",
        "std_free_energy": -7.065165996551514,
        "relative_population": 0.966919528093339
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C[C@H](O)C2=CC(=N[O-])C(=O)C=C21",
        "std_free_energy": -2.266690492630005,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]