[
  {
    "molid": "mol6140",
    "smiles": "N=C(N)Nc1ccc(C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=[NH2+])Nc1ccc(C(=O)[O-])cc1",
        "std_free_energy": -11.71241569519043,
        "relative_population": 0.999983197817008
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C(N)Nc1ccc(C(=O)[O-])cc1",
        "std_free_energy": -3.592116355895996,
        "relative_population": 0.9999796522776612
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]