Calculated properties Next, we asked NGT to propose compounds that simultaneously satisfy multiple calculated molecular properties. For this purpose, we designed NGT to uniformly sample 10,000 compounds from UnREAL that satisfies constraints. We previously reported an optimization procedure for training NGT's normalizing flow policy to approximate such a target distribution (Methods). We compared the satisfiability rate and the diversity of compounds with two baseline scenarios that reflect the complexities associated with enumeration in large CSLs (Table ). The Random (uniform) baseline randomly samples from the CSL, while Random (stratified) randomly samples reactions first and subsequently samples a product induced by that reaction. We also compared the results to our implementation of HE; pruning (partial) compounds at each iteration that failed to satisfy the constraint set.