pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	1	0	Nc1ccc2nc3ccccc3c([NH3+])c2c1,Nc1ccc2[nH+]c3ccccc3c(N)c2c1,Nc1c2ccccc2nc2ccc([NH3+])cc12	Nc1ccc2nc3ccccc3c(N)c2c1	mol26630	Nc1ccc2nc3ccccc3c(N)c2c1