pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1100001335144	QSARToolbox	1	0	Nc1nc([NH3+])ncc1Cc1cc2c(cc1Br)OCO2,Nc1ncc(Cc2cc3c(cc2Br)OCO3)c(N)[nH+]1,Nc1nc(N)c(Cc2cc3c(cc2Br)OCO3)c[nH+]1,Nc1ncc(Cc2cc3c(cc2Br)OCO3)c([NH3+])n1	Nc1ncc(Cc2cc3c(cc2Br)OCO3)c(N)n1	mol35714	Nc1ncc(Cc2cc3c(cc2Br)OCO3)c(N)n1