pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.71	IUPAC digitized pKa	1	0	CCCc1nc(N)nc([NH3+])c1Cc1ccc(Cl)cc1,CCCc1nc([NH3+])nc(N)c1Cc1ccc(Cl)cc1,CCCc1[nH+]c(N)nc(N)c1Cc1ccc(Cl)cc1,CCCc1nc(N)[nH+]c(N)c1Cc1ccc(Cl)cc1	CCCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1	mol7262	CCCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1