| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3661 | N#Cc1cccc(C#N)n1 | 2 | 2 |
| mol3662 | On1ccccc1=S | 3 | 3 |
| mol3663 | On1ccc(=S)cc1 | 3 | 3 |
| mol3664 | COn1ccccc1=N | 2 | 2 |
| mol3665 | COn1ccc(=N)cc1 | 0 | 0 |
| mol3666 | Cn1ccccc1=N | 2 | 2 |
| mol3667 | Cn1ccc(=N)cc1 | 2 | 2 |
| mol3668 | Cn1ccccc1=NS(C)(=O)=O | 2 | 2 |
| mol3669 | Cn1ccc(=NS(C)(=O)=O)cc1 | 2 | 2 |
| mol3670 | COn1ccccc1=O | 0 | 0 |
| mol3671 | CON1C=CCCC1=O | 0 | 0 |
| mol3672 | CN1C=CCCC1=O | 0 | 0 |
| mol3673 | Cn1ccc(=O)cc1 | 2 | 2 |
| mol3674 | Cn1ccccc1=S | 2 | 2 |
| mol3675 | Cn1ccc(=S)cc1 | 2 | 2 |
| mol3676 | Oc1ccnc(O)c1 | 4 | 4 |
| mol3677 | Cc1cccnc1C | 2 | 2 |
| mol3678 | Cc1ccnc(C)c1 | 2 | 2 |
| mol3679 | Cc1ccc(C)nc1 | 2 | 2 |
| mol3680 | Cc1cccc(C)n1 | 2 | 2 |