[
  {
    "molid": "mol36486",
    "smiles": "N=C(N)NCCSP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NCCSP(=O)(O)O",
        "std_free_energy": 1.896589756011963,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C(N)[N-]CCSP(=O)(O)O",
        "std_free_energy": 9.72582721710205,
        "relative_population": 0.0690250404977176
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[N-]=C(N)NCCSP(=O)(O)O",
        "std_free_energy": 7.128538131713867,
        "relative_population": 0.926819126899716
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]