pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.62	AttenGpKa training set	2	1	Cc1cccc(C(=[OH+])NC(N)=[SH+])c1	Cc1cccc(C(=O)NC(N)=[SH+])c1,Cc1cccc(C(=[OH+])NC(N)=S)c1	mol27538	Cc1cccc(C(=O)NC(N)=S)c1
-4.43	AttenGpKa training set	2	1	Cc1cccc(C(=[OH+])NC(N)=[SH+])c1	Cc1cccc(C(=O)NC(N)=[SH+])c1,Cc1cccc(C(=[OH+])NC(N)=S)c1	mol27538	Cc1cccc(C(=O)NC(N)=S)c1