[
  {
    "molid": "mol8659",
    "smiles": "O=C(NO)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])c1ccc(O)cc1",
        "std_free_energy": -1.1365838050842285,
        "relative_population": 0.21946694467307576
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NO)c1ccc([O-])cc1",
        "std_free_energy": -2.4053592681884766,
        "relative_population": 0.7805330553269242
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(N[O-])c1ccc([O-])cc1",
        "std_free_energy": 7.37898063659668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0600004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.93000030517578,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.94999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.05000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]