Some fine-tuning is currently still under way to ensure that distinct molecular compounds with metals featuring unusually low coordination numbers, as for example stabilized by bulky ligands, are not disconnected. Other difficult cases are organolithium and organomagnesium compounds like Grignard-type ones. Here, it is proposed, by careful choice of the disconnection rules, to retain the metal-carbon bonds but disconnect the metal-halide ones, thus disconnecting RMgX into the fragments RMg and X and keeping RLi intact. Since under special conditions, for example in the gas phase, sodium chloride can also be present as molecular compounds Na-Cl and clusters [Na 2 Cl 2 ], an optional parameter will allow users to deliberately generate an InChI for a fully connected structure, in which the disconnection algorithm is bypassed.