[
  {
    "molid": "mol13043",
    "smiles": "O/N=C/c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O/N=C/c1ccc(O)cc1",
        "std_free_energy": -6.384026527404785,
        "relative_population": 0.9999796453878246
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(/C=N/O)cc1",
        "std_free_energy": -1.0136022567749023,
        "relative_population": 0.9657413379999518
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]/N=C/c1ccc([O-])cc1",
        "std_free_energy": 12.332220077514648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.97,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]