[
  {
    "molid": "mol8957",
    "smiles": "NC(=S)NC(N)=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=S)NC(N)=S",
        "std_free_energy": -7.03866720199585,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=S)[N-]C(N)=S",
        "std_free_energy": -0.9842244386672974,
        "relative_population": 0.9921380441841794
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH-]C(=S)[N-]C(N)=S",
        "std_free_energy": 5.315235137939453,
        "relative_population": 0.6026111938419645
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[NH-]C(=S)NC([NH-])=S",
        "std_free_energy": 5.731592178344727,
        "relative_population": 0.3973888061580356
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.43,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]