pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	2	1	C[NH+]1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(C[NH+]6CCOCC6)c(F)c5)c4n3)cc2)CC1	CN1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(C[NH+]6CCOCC6)c(F)c5)c4n3)cc2)CC1,C[NH+]1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2)CC1	mol18409	CN1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2)CC1