pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01	Baltruschat ChEMBL	1	0	N#Cc1c(CN2CCC(Br)CC2)[nH+]o[n+]1[O-],N#Cc1c(C[NH+]2CCC(Br)CC2)no[n+]1[O-]	N#Cc1c(CN2CCC(Br)CC2)no[n+]1[O-]	mol16759	N#Cc1c(CN2CCC(Br)CC2)no[n+]1[O-]