[
  {
    "molid": "mol14973",
    "smiles": "Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(/N=N/c2ccc([NH+](C)C)cc2)c1",
        "std_free_energy": 1.5410999059677124,
        "relative_population": 0.8861649617562234
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(/N=[NH+]/c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 3.593252658843994,
        "relative_population": 0.1138350382437766
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "Cc1cccc(/[NH+]=[NH+]/c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 8.596344947814941,
        "relative_population": 0.9769055323944063
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.33,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]