pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36	OCHEM	2	1	CC[NH+](CC)CCC[C@H](C)[NH2+]c1cccc2cc(Cl)ccc12	CC[NH+](CC)CCC[C@H](C)Nc1cccc2cc(Cl)ccc12	mol32137	CCN(CC)CCCC(C)Nc1cccc2cc(Cl)ccc12