[
  {
    "molid": "mol20849",
    "smiles": "NC1=NCc2cc(O)c(O)cc2N1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC1=[NH+]Cc2cc([O-])c([O-])cc2N1",
        "std_free_energy": 6.637497425079346,
        "relative_population": 0.17671369508755527
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC1=NCc2cc([O-])c(O)cc2N1",
        "std_free_energy": 6.089696407318115,
        "relative_population": 0.30561676003149213
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC1=NCc2cc(O)c([O-])cc2N1",
        "std_free_energy": 5.5626912117004395,
        "relative_population": 0.5176695448809526
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "NC1=NCc2cc([O-])c([O-])cc2N1",
        "std_free_energy": 15.697609901428223,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]