[
  {
    "molid": "mol15520",
    "smiles": "C(=C/c1nnnn1-c1ccccc1)\\c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(=C/c1nnnn1-c1ccccc1)\\c1ccccc1",
        "std_free_energy": -7.532334804534912,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(=C/c1n[nH+]nn1-c1ccccc1)\\c1ccccc1",
        "std_free_energy": 14.018531799316406,
        "relative_population": 0.4250227383122286
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C(=C/c1[nH+]nnn1-c1ccccc1)\\c1ccccc1",
        "std_free_energy": 14.42420768737793,
        "relative_population": 0.2832887743200683
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C(=C/c1nn[nH+]n1-c1ccccc1)\\c1ccccc1",
        "std_free_energy": 14.394988059997559,
        "relative_population": 0.29168848736770303
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]