pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.01	AttenGpKa training set	1	0	COc1ccc(C(=O)/C(=N/O)SCC[NH2+]C(C)C)cc1	COc1ccc(C(=O)/C(=N/[O-])SCC[NH2+]C(C)C)cc1,COc1ccc(C(=O)/C(=N/O)SCCNC(C)C)cc1	mol31647	COc1ccc(C(=O)/C(=N/O)SCCNC(C)C)cc1