pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.12	IUPAC digitized pKa	1	0	CNc1nc(SC)nc([NH2+]C)c1NC=O,CNc1nc(SC)[nH+]c(NC)c1NC=O	CNc1nc(SC)nc(NC)c1NC=O	mol7456	CNc1nc(SC)nc(NC)c1NC=O
4.17	AttenGpKa training set	1	0	CNc1nc(SC)nc([NH2+]C)c1NC=O,CNc1nc(SC)[nH+]c(NC)c1NC=O	CNc1nc(SC)nc(NC)c1NC=O	mol7456	CNc1nc(SC)nc(NC)c1NC=O