[
  {
    "molid": "mol14669",
    "smiles": "Clc1ccc(/C=C/c2nnnn2-c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(/C=C/c2nnnn2-c2ccccc2)cc1",
        "std_free_energy": -7.264025688171387,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(/C=C/c2n[nH+]nn2-c2ccccc2)cc1",
        "std_free_energy": 14.43109130859375,
        "relative_population": 0.40845828695810743
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ccc(/C=C/c2nn[nH+]n2-c2ccccc2)cc1",
        "std_free_energy": 14.71446704864502,
        "relative_population": 0.3076657776622061
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1ccc(/C=C/c2[nH+]nnn2-c2ccccc2)cc1",
        "std_free_energy": 14.794943809509277,
        "relative_population": 0.2838759353796864
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]