pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.75	AttenGpKa training set	0	-1	O=S(=O)(NCc1ccccc1)c1ncccn1	O=S(=O)([N-]Cc1ccccc1)c1ncccn1	mol28462	O=S(=O)(NCc1ccccc1)c1ncccn1