pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	1	0	Nc1ccc(-c2c3ccccc3[nH+]c3cc(N)ccc23)cc1,Nc1ccc(-c2c3ccccc3nc3cc([NH3+])ccc23)cc1,Nc1ccc2c(-c3ccc([NH3+])cc3)c3ccccc3nc2c1	Nc1ccc(-c2c3ccccc3nc3cc(N)ccc23)cc1	mol26734	Nc1ccc(-c2c3ccccc3nc3cc(N)ccc23)cc1