[
  {
    "molid": "mol35231",
    "smiles": "NC(O)=C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(O)=C(O)c1ccccc1",
        "std_free_energy": -6.248018264770508,
        "relative_population": 0.999996290101831
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC([O-])=C(O)c1ccccc1",
        "std_free_energy": -2.4397125244140625,
        "relative_population": 0.8810416010313399
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC(O)=C([O-])c1ccccc1",
        "std_free_energy": -0.43683815002441406,
        "relative_population": 0.11889377776612417
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]