pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	AttenGpKa training set	1	0	Cc1cccc2nc[nH+]c(C)c12,Cc1cccc2[nH+]cnc(C)c12	Cc1cccc2ncnc(C)c12	mol7898	Cc1cccc2ncnc(C)c12