[
  {
    "molid": "mol9427",
    "smiles": "CC1(C)NC(=S)NC1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)NC(=S)NC1=S",
        "std_free_energy": -5.750421524047852,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)NC(=S)[N-]C1=S",
        "std_free_energy": -3.370854139328003,
        "relative_population": 0.6807317324632502
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)[N-]C(=S)NC1=S",
        "std_free_energy": -2.613717555999756,
        "relative_population": 0.3192682675367498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.6500001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]