[
  {
    "molid": "mol14766",
    "smiles": "CCc1cc(/N=N/c2ccc(N(C)C)cc2)ccc1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cc(/N=N/c2ccc([NH+](C)C)cc2)ccc1C",
        "std_free_energy": 1.4461710453033447,
        "relative_population": 0.8500520605556573
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cc(/N=[NH+]/c2ccc(N(C)C)cc2)ccc1C",
        "std_free_energy": 3.181180477142334,
        "relative_population": 0.14994793944434268
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CCc1cc(/[NH+]=[NH+]/c2ccc(N(C)C)cc2)ccc1C",
        "std_free_energy": 8.343645095825195,
        "relative_population": 0.97687372993877
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.59,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]