[
  {
    "molid": "mol25757",
    "smiles": "CN(C)C1=NC(=S)CC=N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C1=NC(=S)CC=N1",
        "std_free_energy": -6.760773181915283,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C1=NC(=S)CC=[NH+]1",
        "std_free_energy": 1.0086803436279297,
        "relative_population": 0.48421780047717566
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)C1=[NH+]C(=S)CC=N1",
        "std_free_energy": 0.9466856122016907,
        "relative_population": 0.5151867920479821
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]