For completeness, and to give an impression of the chemical variability contained in the designed novel organic molecules with low HOMO-LUMO gap, we show their molecular structures in the associated supplementary information (SI). Fig. shows all molecules with HOMO-LUMO gaps < 1.7 eV contained in the original data set and Fig. shows those in the data set of generated, novel molecules with the same HOMO-LUMO gap threshold (384).