pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.9	IUPAC digitized pKa	0	-1	[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12,Oc1c(CN2CCCCC2)ccc2cccnc12	[O-]c1c(CN2CCCCC2)ccc2cccnc12	mol2467	Oc1c(CN2CCCCC2)ccc2cccnc12
6.6	IUPAC digitized pKa	1	0	Oc1c(CN2CCCCC2)ccc2ccc[nH+]c12,Oc1c(C[NH+]2CCCCC2)ccc2cccnc12	[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12,Oc1c(CN2CCCCC2)ccc2cccnc12	mol2467	Oc1c(CN2CCCCC2)ccc2cccnc12
1.7	IUPAC digitized pKa	2	1	Oc1c(C[NH+]2CCCCC2)ccc2ccc[nH+]c12	Oc1c(CN2CCCCC2)ccc2ccc[nH+]c12,Oc1c(C[NH+]2CCCCC2)ccc2cccnc12	mol2467	Oc1c(CN2CCCCC2)ccc2cccnc12