[
  {
    "molid": "mol15632",
    "smiles": "Cc1cc(/N=N/c2nc3ccccc3s2)c2cccnc2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(/N=N/c2nc3ccccc3s2)c2cccnc2c1O",
        "std_free_energy": -5.090735912322998,
        "relative_population": 0.9048771828981678
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "Cc1cc(/N=N/c2nc3ccccc3s2)c2ccc[nH+]c2c1[O-]",
        "std_free_energy": -2.837700843811035,
        "relative_population": 0.09508432756787265
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(/N=N/c2nc3ccccc3s2)c2cccnc2c1[O-]",
        "std_free_energy": -3.0532479286193848,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]