[
  {
    "molid": "mol16395",
    "smiles": "COc1ccc(N2N=C(C)CC2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(N2N=C(C)CC2=O)cc1",
        "std_free_energy": -6.721902847290039,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-n2nc(C)[cH-]c2=O)cc1",
        "std_free_energy": 3.3832061290740967,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.06,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]