pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.07	AttenGpKa training set	1	0	C[NH+](C)S(=O)(=O)c1ccc2ncccc2c1,CN(C)S(=O)(=O)c1ccc2[nH+]cccc2c1	CN(C)S(=O)(=O)c1ccc2ncccc2c1	mol26125	CN(C)S(=O)(=O)c1ccc2ncccc2c1