[
  {
    "molid": "mol12975",
    "smiles": "Nc1ccncc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc[nH+]cc1C(=O)[O-]",
        "std_free_energy": -11.599068641662598,
        "relative_population": 0.5791458392211144
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]c1ccncc1C(=O)[O-]",
        "std_free_energy": -11.278966903686523,
        "relative_population": 0.4205034101334592
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccncc1C(=O)[O-]",
        "std_free_energy": -6.117105484008789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.1000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]