pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.38	Datawarrior	1	0	Brc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Brc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14783	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
6.3800001	OCHEM	1	0	Brc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Brc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14783	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
6.38000011444092	QSARToolbox	1	0	Brc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,Brc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol14783	Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3