pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	OCHEM	2	1	CC[NH+](CC)CCC[C@@H](C)Cc1cc[nH+]c2cc(Cl)ccc12	CC[NH+](CC)CCC[C@@H](C)Cc1ccnc2cc(Cl)ccc12	mol32136	CCN(CC)CCCC(C)Cc1ccnc2cc(Cl)ccc12