pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.47	Baltruschat ChEMBL	1	0	C(=C/c1ccccc1)\C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1,C(=C/c1ccccc1)\CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1	mol16567	C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1