[
  {
    "molid": "mol31743",
    "smiles": "O=C(O)CN=C=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CN=C=S",
        "std_free_energy": -2.7968313694000244,
        "relative_population": 0.3717840172785025
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]=C=S",
        "std_free_energy": -3.3214023113250732,
        "relative_population": 0.6282159827214974
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN=C=S",
        "std_free_energy": -11.445428848266602,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]