pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	AttenGpKa training set	1	0	Cc1cnc2c[nH+]c(N)nc2n1,Cc1cnc2cnc(N)[nH+]c2n1,Cc1cnc2cnc(N)nc2[nH+]1,Cc1c[nH+]c2cnc(N)nc2n1,Cc1cnc2cnc([NH3+])nc2n1	Cc1cnc2cnc(N)nc2n1	mol4739	Cc1cnc2cnc(N)nc2n1