[
  {
    "molid": "mol832",
    "smiles": "Cc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "Cc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1",
        "std_free_energy": -2.698101043701172,
        "relative_population": 0.9687337798162643
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1/[NH+]=[NH+]/c1ccc(O)c(C(=O)[O-])c1",
        "std_free_energy": 8.248690605163574,
        "relative_population": 0.5321307442169849
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccccc1/N=[NH+]/c1ccc(O)c(C(=O)O)c1",
        "std_free_energy": 9.331440925598145,
        "relative_population": 0.18021289437411825
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ccccc1/[NH+]=N/c1ccc(O)c(C(=O)O)c1",
        "std_free_energy": 8.883207321166992,
        "relative_population": 0.28213128237666013
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]