pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Baltruschat ChEMBL	1	0	C[C@@H](CN1CC[NH+](CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21,C[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+]1CCN(CCOCCO)CC1	C[C@@H](CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21	mol17526	CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21