pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.86	AttenGpKa training set	0	-1	CC1(C)[NH2+][C@@H](C(=O)[O-])CS1	CC1(C)N[C@@H](C(=O)[O-])CS1	mol29331	CC1(C)NC(C(=O)O)CS1