pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44000005722046	QSARToolbox	1	0	Clc1ccc2[nH]c(NCCCc3c[nH]c[nH+]3)nc2c1,Clc1ccc2[nH]c(NCCCc3c[nH]cn3)[nH+]c2c1,Clc1ccc2[nH]c([NH2+]CCCc3c[nH]cn3)nc2c1	Clc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1	mol36210	Clc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1
6.19999980926514	QSARToolbox	2	1	Clc1ccc2[nH]c([NH2+]CCCc3c[nH]c[nH+]3)nc2c1,Clc1ccc2[nH]c(NCCCc3c[nH]c[nH+]3)[nH+]c2c1,Clc1ccc2[nH]c([NH2+]CCCc3c[nH]cn3)[nH+]c2c1	Clc1ccc2[nH]c(NCCCc3c[nH]c[nH+]3)nc2c1,Clc1ccc2[nH]c(NCCCc3c[nH]cn3)[nH+]c2c1,Clc1ccc2[nH]c([NH2+]CCCc3c[nH]cn3)nc2c1	mol36210	Clc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1