The single-molecule conductance measurements were performed using the MCBJ technique with a homebuilt MCBJ setup at room temperature, as described in previous reports (29, 31). For further details, see the “Conductance measurements by MCBJ technique” section in the Supplementary Materials. To carry out the conductance measurement, the solution contained 1 mM target molecules in the mixture solvent of deuterated DCM:TMB (1:4, v/v). A blank experiment of solvent without the target molecule is presented in fig. S5 (C to E).

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