pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	Baltruschat ChEMBL	0	-1	CC1=NN(c2ccc(OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)C(=O)C1	Cc1[cH-]c(=O)n(-c2ccc(OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)n1	mol16398	CC1=NN(c2ccc(OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)C(=O)C1