[
  {
    "molid": "mol37829",
    "smiles": "COC[C@]12CN(N=O)C3[C@@H]4[C@H](OC)[C@H]1[C@@]3(C=C([N+](=O)[O-])C2=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]2OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC[C@]12CN(N=O)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3(C=C([N+](=O)[O-])C2=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]2OC",
        "std_free_energy": -6.5427961349487305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC[C@]12C[NH+](N=O)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3(C=C([N+](=O)[O-])C2=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]2OC",
        "std_free_energy": 1.8820698261260986,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]