pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Baltruschat ChEMBL	1	0	N/C(S)=[NH+]/N=C/c1ccccn1,N/C(S)=N/N=C/c1cccc[nH+]1,N/C(S)=N/[NH+]=C/c1ccccn1	N/C([S-])=N/N=C/c1cccc[nH+]1,N/C(S)=N/N=C/c1ccccn1	mol20782	N/C(S)=N/N=C/c1ccccn1