[
  {
    "molid": "mol3392",
    "smiles": "CN(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1",
        "std_free_energy": -3.7152905464172363,
        "relative_population": 0.20949659088759703
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": -5.042050838470459,
        "relative_population": 0.7895536285886411
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 3.458524703979492,
        "relative_population": 0.7004431546117967
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/[NH+]=N/c2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 5.622961044311523,
        "relative_population": 0.08042112355162716
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/N=[NH+]/c2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 4.65755033493042,
        "relative_population": 0.2111750861987844
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]