pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	IUPAC digitized pKa	1	0	CSc1nc2c(ncn2C)c(C)[nH+]1,CSc1nc(C)c2ncn(C)c2[nH+]1,CSc1nc(C)c2[nH+]cn(C)c2n1	CSc1nc(C)c2ncn(C)c2n1	mol8295	CSc1nc(C)c2ncn(C)c2n1
2.65	AttenGpKa training set	1	0	CSc1nc2c(ncn2C)c(C)[nH+]1,CSc1nc(C)c2ncn(C)c2[nH+]1,CSc1nc(C)c2[nH+]cn(C)c2n1	CSc1nc(C)c2ncn(C)c2n1	mol8295	CSc1nc(C)c2ncn(C)c2n1