pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.26	AttenGpKa training set	1	0	Cn1ccnc2c(=O)nc[nH+]c1-2,Cn1ccnc2c(=[OH+])ncnc1-2,Cn1cc[nH+]c2c(=O)ncnc1-2,Cn1ccnc2c(=O)[nH+]cnc1-2	Cn1ccnc2c(=O)ncnc1-2	mol26201	Cn1ccnc2c(=O)ncnc1-2