pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	AttenGpKa training set	1	0	COc1cc(C(=O)c2cnc(N)[nH+]c2N)cc(OC)c1Cl,COc1cc(C(=O)c2cnc(N)nc2[NH3+])cc(OC)c1Cl,COc1cc(C(=O)c2cnc([NH3+])nc2N)cc(OC)c1Cl,COc1cc(C(=O)c2c[nH+]c(N)nc2N)cc(OC)c1Cl	COc1cc(C(=O)c2cnc(N)nc2N)cc(OC)c1Cl	mol25847	COc1cc(C(=O)c2cnc(N)nc2N)cc(OC)c1Cl