Table 2: Chemical classes in the data set.
| Chemical classes | Number of compounds |
| Hydrocarbons | 26 |
| Ethers | 24 |
| Alcohols | 60 |
| Aldehydes | 44 |
| Ketones | 39 |
| Acids | 68 |
| Nitriles, Sulfur compounds | 33 |
| Amines | 74 |
| Benzenes | 33 |
| Phenols | 49 |
| Heterocyclics | 48 |
| Carbamates, Other pesticides | 28 |
| Various classes | 42 |