pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.95	IUPAC digitized pKa	1	0	Cc1ccc(N(C)[NH3+])c(Br)c1,Cc1ccc([NH+](C)N)c(Br)c1	Cc1ccc(N(C)N)c(Br)c1	mol8809	Cc1ccc(N(C)N)c(Br)c1
4.94999980926514	QSARToolbox	1	0	Cc1ccc(N(C)[NH3+])c(Br)c1,Cc1ccc([NH+](C)N)c(Br)c1	Cc1ccc(N(C)N)c(Br)c1	mol8809	Cc1ccc(N(C)N)c(Br)c1