pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.81	IUPAC digitized pKa	1	0	Cc1nc(N)nc2[nH+]ccnc12,Cc1[nH+]c(N)nc2nccnc12,Cc1nc(N)[nH+]c2nccnc12,Cc1nc(N)nc2ncc[nH+]c12,Cc1nc([NH3+])nc2nccnc12	Cc1nc(N)nc2nccnc12	mol4737	Cc1nc(N)nc2nccnc12
2.82	AttenGpKa training set	1	0	Cc1nc(N)nc2[nH+]ccnc12,Cc1[nH+]c(N)nc2nccnc12,Cc1nc(N)[nH+]c2nccnc12,Cc1nc(N)nc2ncc[nH+]c12,Cc1nc([NH3+])nc2nccnc12	Cc1nc(N)nc2nccnc12	mol4737	Cc1nc(N)nc2nccnc12