To explore wider chemical spaces, antiVif-unrelated parents were also selected among 36 molecules home-designed with 3-fold symmetric star-like structures of several molecular weights (Supplementary Materials / 36star-mmff4s+.sdf). These star-like molecules contained amino-carboxyl terminal atoms to maximize possible amino acid interactions with any possible cavity. Their corresponding ADV blind-docking results predicted the highest affinities for star18, 29 and 30. All selected star-like molecules targeted Vif red sA3G cavity interfaces (Supplementary Materials / 36star.pse).