pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	AttenGpKa training set	1	0	Cc1ccc([NH2+][S@@+]([O-])c2ccc(C)cc2)cc1	Cc1ccc(N[S@@+]([O-])c2ccc(C)cc2)cc1	mol28281	Cc1ccc(N[S+]([O-])c2ccc(C)cc2)cc1