A user-designed DW Macro called NTN (Supplementary Material: NoToxiNasty.dwam) was developed to filter the generated raw children files by any remaining DW toxicity risk (Mutagenesis, Tumorigenicity, Reproductive interference, and Irritant), including the Nasty functions. The files were saved as *.dwar files for storage of the complete evolutionary data and their slider filters . The children coded into the *.dwar filtered by NTN macro were named as NTN children.The NTN children were also saved as special *.sdf (vs3) files, maintaining evolutionary information using File/Save Special/SD-File, selecting Docked Protonation: Structure column, Docking pose: Atom coordinates and including Cavity and Natural Ligand. After filtering for their toxicities added by the NTN macro, NTN children *.sdf files allowed their opening in PyMol, the use of its splitstates command and visualization of the complexes (more details at the DW forum beginning on February 3th, 2023) ().