Initially, 100 diverse thiophene monomers were selected by choosing a variety of substitutions, including simple functional groups, aromatic and non-aromatic fused ring systems. Bulky substitutions (e.g. t-butyl) were avoided to maintain some consistency in the degree of planarity among the set of conjugated oligothiophene copolymers. The monomers in this study were limited to species containing C, H, N, O, S, Se, F, Br, and Cl. Nine monomers which contained Se were eventually excluded from the data set due to lack of MMFF94 parameters for the conformer generation process. The remaining 91 monomers containing C, H, N, O, S, F, Br, and Cl were used as the basis for all data collection and analysis in this study. The structures of these 91 thiophene monomers are shown in Figure of the supporting information. The monomer SMILES codes are listed in Table of the supporting information.