pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82	AttenGpKa training set	0	-1	CNc1nc(C)c(C)nc1C(=O)O,CNc1[nH+]c(C)c(C)nc1C(=O)[O-],C[NH2+]c1nc(C)c(C)nc1C(=O)[O-]	CNc1nc(C)c(C)nc1C(=O)[O-]	mol25787	CNc1nc(C)c(C)nc1C(=O)O