pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	OCHEM	1	0	Clc1cc(Cl)c([NH+]=C2NCCN2)c(Cl)c1	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1	mol17921	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
7.75	OCHEM	1	0	Clc1cc(Cl)c([NH+]=C2NCCN2)c(Cl)c1	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1	mol17921	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
7.355	AttenGpKa training set	1	0	Clc1cc(Cl)c([NH+]=C2NCCN2)c(Cl)c1	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1	mol17921	Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1