pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.06	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1nccn1CCCNc1nc(-c2ccccc2)[nH+]c2ccccc12,O=[N+]([O-])c1[nH+]ccn1CCCNc1nc(-c2ccccc2)nc2ccccc12,O=[N+]([O-])c1nccn1CCC[NH2+]c1nc(-c2ccccc2)nc2ccccc12,O=[N+]([O-])c1nccn1CCCNc1[nH+]c(-c2ccccc2)nc2ccccc12	O=[N+]([O-])c1nccn1CCCNc1nc(-c2ccccc2)nc2ccccc12	mol18893	O=[N+]([O-])c1nccn1CCCNc1nc(-c2ccccc2)nc2ccccc12