pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	AttenGpKa training set	0	-1	O=S(=O)([O-])c1ccc(/N=N/c2ccc([NH2+]c3ccccc3)cc2)cc1,O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	O=S(=O)([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	mol30957	O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1