pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Datawarrior	1	0	C=CC[C@](C)(C[NH+](CC)CC)OC(=O)CCC	C=CC[C@](C)(CN(CC)CC)OC(=O)CCC	mol15126	C=CCC(C)(CN(CC)CC)OC(=O)CCC