pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Datawarrior	1	0	Nc1ccc(C[NH3+])cc1	NCc1ccc(N)cc1	mol13584	NCc1ccc(N)cc1
9.76	AttenGpKa training set	1	0	Nc1ccc(C[NH3+])cc1	NCc1ccc(N)cc1	mol13584	NCc1ccc(N)cc1
4.16	Datawarrior	2	1	[NH3+]Cc1ccc([NH3+])cc1	Nc1ccc(C[NH3+])cc1	mol13584	NCc1ccc(N)cc1