pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.29	AttenGpKa training set	1	0	Cc1cccc2c([NH3+])nc(N)nc12,Cc1cccc2c(N)nc([NH3+])nc12,Cc1cccc2c(N)nc(N)[nH+]c12,Cc1cccc2c(N)[nH+]c(N)nc12	Cc1cccc2c(N)nc(N)nc12	mol26217	Cc1cccc2c(N)nc(N)nc12