pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	AttenGpKa training set	1	0	Nc1c2ccccc2nc2ccc(C(=O)O[NH3+])cc12,NOC(=O)c1ccc2[nH+]c3ccccc3c(N)c2c1,NOC(=O)c1ccc2nc3ccccc3c([NH3+])c2c1	NOC(=O)c1ccc2nc3ccccc3c(N)c2c1	mol26709	NOC(=O)c1ccc2nc3ccccc3c(N)c2c1