pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	1	0	[NH3+]C[C@H](COCc1cccc2ccccc12)OC(=O)NCCCCCCO	NC[C@H](COCc1cccc2ccccc12)OC(=O)NCCCCCCO	mol20412	NC[C@H](COCc1cccc2ccccc12)OC(=O)NCCCCCCO