Source code:
@Grab(group='org.openscience.cdk', module='cdk-bundle', version='2.9')
import org.openscience.cdk.interfaces.*;
import org.openscience.cdk.io.*;
import org.openscience.cdk.io.iterator.*;
import org.openscience.cdk.*;
import org.openscience.cdk.silent.*;
import org.openscience.cdk.tools.manipulator.*;
iterator = new IteratingSDFReader(
new File("data/CHEMBL3183843.sdf").newReader(),
DefaultChemObjectBuilder.getInstance()
)
while (iterator.hasNext()) {
mol = iterator.next()
println mol.getProperty("chembl_id")
}
Output:
CHEMBL3183843