pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	CN1CC[NH+](CCCN2c3ccccc3Sc3ccccc32)CC1,C[NH+]1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1	CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1	mol17524	CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1