pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.26	IUPAC digitized pKa	1	0	[NH3+]c1cccc2[nH]ncc12,Nc1cccc2[nH][nH+]cc12	Nc1cccc2[nH]ncc12	mol4580	Nc1cccc2[nH]ncc12
3.29	Datawarrior	1	0	[NH3+]c1cccc2[nH]ncc12,Nc1cccc2[nH][nH+]cc12	Nc1cccc2[nH]ncc12	mol4580	Nc1cccc2[nH]ncc12