pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	1	0	C[NH2+]c1nc(C)nc(Cl)c1[N+](=O)[O-],CNc1[nH+]c(C)nc(Cl)c1[N+](=O)[O-],CNc1nc(C)[nH+]c(Cl)c1[N+](=O)[O-]	CNc1nc(C)nc(Cl)c1[N+](=O)[O-]	mol25808	CNc1nc(C)nc(Cl)c1[N+](=O)[O-]