[
  {
    "molid": "mol18573",
    "smiles": "O=C(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1/C=N/NC(=S)NC1CCCCC1",
        "std_free_energy": -10.099552154541016,
        "relative_population": 0.9999485182836068
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1/C=N/[N-]C(=S)NC1CCCCC1",
        "std_free_energy": 2.641585350036621,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]