pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.17	IUPAC digitized pKa	1	0	C[NH+](C)c1nc2c(s1)CCCC2,CN(C)c1[nH+]c2c(s1)CCCC2	CN(C)c1nc2c(s1)CCCC2	mol7956	CN(C)c1nc2c(s1)CCCC2
6.16	Datawarrior	1	0	C[NH+](C)c1nc2c(s1)CCCC2,CN(C)c1[nH+]c2c(s1)CCCC2	CN(C)c1nc2c(s1)CCCC2	mol7956	CN(C)c1nc2c(s1)CCCC2
6.1599998	OCHEM	1	0	C[NH+](C)c1nc2c(s1)CCCC2,CN(C)c1[nH+]c2c(s1)CCCC2	CN(C)c1nc2c(s1)CCCC2	mol7956	CN(C)c1nc2c(s1)CCCC2