| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol21901 | C=CCC=C | 0 | 0 |
| mol21902 | C#CCCC | 0 | 0 |
| mol21903 | FC(F)F | 0 | 0 |
| mol21904 | c1ccccc1 | 0 | 0 |
| mol21905 | C#CCCCC | 0 | 0 |
| mol21906 | C#CC(C)(C)C | 0 | 0 |
| mol21907 | ClCCl | 0 | 0 |
| mol21908 | Cc1ccccc1 | 0 | 0 |
| mol21909 | C#CC(F)(F)F | 0 | 0 |
| mol21910 | CC(Cl)Cl | 0 | 0 |
| mol21911 | C#C[Si](C)(C)C | 0 | 0 |
| mol21912 | C#CC(O)CCC | 0 | 0 |
| mol21913 | C#Cc1ccccc1 | 0 | 0 |
| mol21914 | CCc1ccccc1 | 0 | 0 |
| mol21915 | C#CCCCCCC | 0 | 0 |
| mol21916 | C1=Cc2ccccc2C1 | 2 | 2 |
| mol21917 | ClC(Cl)Cl | 0 | 0 |
| mol21918 | CCc1ccc(C)cc1 | 0 | 0 |
| mol21919 | C[C+](C)c1ccccc1 | 0 | 0 |
| mol21920 | FC(F)C(F)(F)F | 0 | 0 |