pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Baltruschat ChEMBL	1	0	C[C@]1(c2cccc(NC(=O)c3cccc[nH+]3)c2)CSC(N)=N1,C[C@]1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=[NH+]1	C[C@]1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=N1	mol20676	CC1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=N1