[
  {
    "molid": "mol25719",
    "smiles": "Cc1cc(N(C)C)ncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N(C)C)ncn1",
        "std_free_energy": -5.246663570404053,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N(C)C)nc[nH+]1",
        "std_free_energy": -4.577716827392578,
        "relative_population": 0.3885147353745825
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc([NH+](C)C)ncn1",
        "std_free_energy": -4.326249122619629,
        "relative_population": 0.3021318142596639
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(N(C)C)[nH+]cn1",
        "std_free_energy": -4.349870204925537,
        "relative_population": 0.3093534503657536
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]