pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	OCHEM	1	0	CC(C)NC[C@@H](O)COc1cc2c(cc1OC[C@H](O)C[NH2+]C(C)C)CCCC2	CC(C)NC[C@@H](O)COc1cc2c(cc1OC[C@H](O)CNC(C)C)CCCC2	mol21689	CC(C)NCC(O)COc1cc2c(cc1OCC(O)CNC(C)C)CCCC2