As, a result, you can (with the code at my laptop) now do (see this BSL script at MyExperiment):
// requires an unspecified Bioclipse development version ds = opentox.createDataset("http://apps.ideaconsult.net:8080/ambit2/"); opentox.addMolecule(ds, cdk.fromSMILES("CCCCC[N+](C)(C)C")) opentox.addMolecule(ds, cdk.fromSMILES("ClC(I)Br")) opentox.deletaDataset(ds);
Make sure to check out the other stuff I have been doing with respect to OpenTox.