Table 3.

Examples of SMILES desalting behavior; ^aInvalid SMILES. See Supplementary Material for structural representations.

ID	SMILES	Default	1st Unique	Longest SMILES
1	C[N+](C)(C)C.CCC(=O)[O-]	C[N+](C)(C)C,CCC(=O)[O-]	C[N+](C)(C)C	C[N+](C)(C)C
2	C[N+](C)(C)CCCC.C[N+](C) (C)CCCC.[O-]C(=O) CCC(=O)[O-]	C[N+](C)(C)CCCC, [O-]C(=O)CCC (=O)[O-]	C[N+](C)(C)CCCC	[O-]C(=O)CCC (=O)[O-]
3	C1C.CC1	C1Ca, CC1a	C1Ca	C1Ca

^aInvalid SMILES.