pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.67000007629395	QSARToolbox	2	1	CNC(=O)c1ccc2[nH]c([NH2+]CCc3c[nH]cn3)[nH+]c2c1,CNC(=O)c1ccc2[nH]c(NCCc3c[nH]c[nH+]3)[nH+]c2c1,CNC(=O)c1ccc2[nH]c([NH2+]CCc3c[nH]c[nH+]3)nc2c1	CNC(=O)c1ccc2[nH]c([NH2+]CCc3c[nH]cn3)nc2c1,CNC(=O)c1ccc2[nH]c(NCCc3c[nH]cn3)[nH+]c2c1,CNC(=O)c1ccc2[nH]c(NCCc3c[nH]c[nH+]3)nc2c1	mol36536	CNC(=O)c1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1