pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	1	0	CCCCNc1ncc2ncc[nH+]c2n1,CCCC[NH2+]c1ncc2nccnc2n1,CCCCNc1ncc2nccnc2[nH+]1,CCCCNc1nc2nccnc2c[nH+]1,CCCCNc1ncc2[nH+]ccnc2n1	CCCCNc1ncc2nccnc2n1	mol8115	CCCCNc1ncc2nccnc2n1