[
  {
    "molid": "mol15500",
    "smiles": "CCc1cccc(/N=N/c2ccc(N(C)C)cc2)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cccc(/N=N/c2ccc([NH+](C)C)cc2)c1",
        "std_free_energy": 1.642088770866394,
        "relative_population": 0.873700037975274
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cccc(/N=[NH+]/c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 3.5761661529541016,
        "relative_population": 0.126299962024726
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCc1cccc(/[NH+]=[NH+]/c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 8.67784309387207,
        "relative_population": 0.9820535039370707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.16,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]