pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Novartis	1	0	N#Cc1cc(CN2CCC([NH2+]c3ncnc4sc(Cl)cc34)CC2)ccc1F,N#Cc1cc(C[NH+]2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F	N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F	mol2954	N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F