| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol27681 | N#CC1=CC=C(C#N)C1C#N | 0 | 0 |
| mol27682 | N#CC(C#N)=CC(C#N)C#N | 0 | 0 |
| mol27683 | N#CCc1ccccc1C#N | 0 | 0 |
| mol27684 | N#CCc1ccc(C#N)cc1 | 0 | 0 |
| mol27685 | N#CCc1cccc(C#N)c1 | 0 | 0 |
| mol27686 | N#CC(C#N)c1ccccc1 | 2 | 2 |
| mol27687 | N#CC(C=O)c1ccccc1 | 0 | 0 |
| mol27688 | COc1ccc(CC#N)cc1 | 0 | 0 |
| mol27689 | COc1cccc(CC#N)c1 | 0 | 0 |
| mol27690 | COC(C#N)c1ccccc1 | 0 | 0 |
| mol27691 | N#CCc1cccc(Cl)c1 | 0 | 0 |
| mol27692 | N#CCc1ccc(Cl)cc1 | 0 | 0 |
| mol27693 | CC1=C(C#N)C(C#N)=CC1C#N | 0 | 0 |
| mol27694 | CC(=C(C#N)C#N)C(C#N)C#N | 0 | 0 |
| mol27695 | Cc1ccc(C(C#N)C#N)cc1 | 0 | 0 |
| mol27696 | Cc1ccc(C(C#N)C=O)cc1 | 0 | 0 |
| mol27697 | CC(=O)C(C#N)c1ccccc1 | 2 | 2 |
| mol27698 | Cc1cccc(C(C#N)C=O)c1 | 0 | 0 |
| mol27699 | CN(C)c1ccc(CC#N)cc1 | 0 | 0 |
| mol27700 | N#CCc1cccc([N+](=O)[O-])c1 | 0 | 0 |