pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.23	AttenGpKa training set	0	-1	Cn1c(=O)c(-c2ccccc2)nc2cnc(O)nc21	Cn1c(=O)c(-c2ccccc2)nc2cnc([O-])nc21	mol26310	Cn1c(=O)c(-c2ccccc2)nc2cnc(O)nc21
2.61	AttenGpKa training set	1	0	Cn1c(=O)c(-c2ccccc2)nc2c[nH+]c(O)nc21,Cn1c(=O)c(-c2ccccc2)[nH+]c2cnc(O)nc21,Cn1c(=O)c(-c2ccccc2)nc2cnc(O)[nH+]c21	Cn1c(=O)c(-c2ccccc2)nc2cnc(O)nc21	mol26310	Cn1c(=O)c(-c2ccccc2)nc2cnc(O)nc21