Table 1 Names and molecular formulas of the molecules.

#MoleculeMolecular formulaLibrary
1EtretinateC23H30O3Prestwick
2Pimethixene maleateC23H23NO4SPrestwick
3NCI 169627C40H49NO14NCI
4Clemastine fumarateC25H30ClNO5Prestwick
5CilnidipineC27H28N2O7Prestwick
6Fluoxetine hydrochlorideC17H19ClF3NOPrestwick
7Deptropine citrateC29H35NO8Prestwick
8ParthenolideC15H20O3Prestwick, NCI
9NCI 1771C6H12N2S4NCI
10Chlorprothixene hydrochlorideC18H19Cl2NSPrestwick
11NCI 111118C13H8Cl2S3NCI
12NCI 228155C11H6N4O4SNCI
13Cadmium chlorideCdCl2NCI
14NCI 68093, Zn pyrithioneC10H8N2O2S2ZnNCI
15NCI 333856, tetrocarcin AC67H96N2O24.NaNCI