[
  {
    "molid": "mol34838",
    "smiles": "COc1cccc(NC(=O)C(=NO)C(C)=NO)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(NC(=O)C(=NO)C(C)=N[O-])c1",
        "std_free_energy": -1.6951478719711304,
        "relative_population": 0.3227277485752767
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1cccc(NC(=O)C(=N[O-])C(C)=NO)c1",
        "std_free_energy": -2.413297176361084,
        "relative_population": 0.6617966863962442
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccc([N-]C(=O)C(=NO)C(C)=N[O-])c1",
        "std_free_energy": 6.945701599121094,
        "relative_population": 0.450573576699644
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COc1cccc(NC(=O)C(=N[O-])C(C)=N[O-])c1",
        "std_free_energy": 7.894304275512695,
        "relative_population": 0.17449894741680644
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "COc1cccc([N-]C(=O)C(=N[O-])C(C)=NO)c1",
        "std_free_energy": 7.129490375518799,
        "relative_population": 0.37492747588354963
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3800001144409,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]