pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	OCHEM	1	0	Clc1cccc(Cl)c1NC1=[NH+]CCN1	Clc1cccc(Cl)c1NC1=NCCN1	mol502	Clc1cccc(Cl)c1NC1=NCCN1
8.12	OCHEM	1	0	Clc1cccc(Cl)c1NC1=[NH+]CCN1	Clc1cccc(Cl)c1NC1=NCCN1	mol502	Clc1cccc(Cl)c1NC1=NCCN1
8.3	OCHEM	1	0	Clc1cccc(Cl)c1NC1=[NH+]CCN1	Clc1cccc(Cl)c1NC1=NCCN1	mol502	Clc1cccc(Cl)c1NC1=NCCN1
8.095	AttenGpKa training set	1	0	Clc1cccc(Cl)c1NC1=[NH+]CCN1	Clc1cccc(Cl)c1NC1=NCCN1	mol502	Clc1cccc(Cl)c1NC1=NCCN1