[
  {
    "molid": "mol32191",
    "smiles": "Cc1snc(O)c1CC(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1snc(O)c1C[C@@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.021970748901367,
        "relative_population": 0.9992217556637794
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1snc(O)c1C[C@@H]([NH3+])C(=O)O",
        "std_free_energy": -1.356276035308838,
        "relative_population": 0.9879776098124485
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1snc(O)c1C[C@@H](N)C(=O)[O-]",
        "std_free_energy": -7.647709846496582,
        "relative_population": 0.6619024137424829
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1snc([O-])c1C[C@@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -6.9700422286987305,
        "relative_population": 0.33611404298051634
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1snc([O-])c1C[C@@H](N)C(=O)[O-]",
        "std_free_energy": 0.2838682532310486,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.27,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]