pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.31	IUPAC digitized pKa	0	-1	[S-]c1ccc([NH+]2CCCCC2)nn1,[S-]c1ccc(N2CCCCC2)[nH+]n1,Sc1ccc(N2CCCCC2)nn1	[S-]c1ccc(N2CCCCC2)nn1	mol6969	Sc1ccc(N2CCCCC2)nn1
-0.06	IUPAC digitized pKa	1	0	Sc1ccc(N2CCCCC2)n[nH+]1,Sc1ccc([NH+]2CCCCC2)nn1,Sc1ccc(N2CCCCC2)[nH+]n1	[S-]c1ccc([NH+]2CCCCC2)nn1,[S-]c1ccc(N2CCCCC2)[nH+]n1,Sc1ccc(N2CCCCC2)nn1	mol6969	Sc1ccc(N2CCCCC2)nn1