[
  {
    "molid": "mol4300",
    "smiles": "CC(C)n1nnnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)n1nnnc1N",
        "std_free_energy": -6.611322402954102,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)n1nnnc1[NH3+]",
        "std_free_energy": 4.996181488037109,
        "relative_population": 0.4625280788798799
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)n1n[nH+]nc1N",
        "std_free_energy": 6.260630130767822,
        "relative_population": 0.13061559543672688
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(C)n1[nH+]nnc1N",
        "std_free_energy": 6.218621730804443,
        "relative_population": 0.136219427553103
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CC(C)n1nn[nH+]c1N",
        "std_free_energy": 5.532110691070557,
        "relative_population": 0.2706368981302902
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.9099999666214,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]