pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1ncn(CCCNc2c3ccccc3[nH+]c3ccccc23)n1,O=[N+]([O-])c1ncn(CCC[NH2+]c2c3ccccc3nc3ccccc23)n1	O=[N+]([O-])c1ncn(CCCNc2c3ccccc3nc3ccccc23)n1	mol18891	O=[N+]([O-])c1ncn(CCCNc2c3ccccc3nc3ccccc23)n1