pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.05	AttenGpKa training set	1	0	CSc1nc(C)[nH+]c2c1ncn2C,CSc1[nH+]c(C)nc2c1ncn2C,CSc1nc(C)nc2c1[nH+]cn2C	CSc1nc(C)nc2c1ncn2C	mol8291	CSc1nc(C)nc2c1ncn2C