pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	3	2	NC1=[NH+][C@@H]2OC(c3ccc(Cl)cc3)=[NH+][C@@H]2C(N)=[NH+]1	NC1=[NH+][C@@H]2OC(c3ccc(Cl)cc3)=N[C@@H]2C(N)=[NH+]1	mol26315	NC1=NC2OC(c3ccc(Cl)cc3)=NC2C(N)=N1