| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3701 | CCc1cccnc1 | 2 | 2 |
| mol3702 | CCc1ccncc1 | 2 | 2 |
| mol3703 | CCc1cccnc1O | 0 | 0 |
| mol3704 | CCc1cncc(C)c1 | 2 | 2 |
| mol3705 | CCc1ccc(C)nc1 | 2 | 2 |
| mol3706 | CCc1cnccc1NC | 2 | 3 |
| mol3707 | Fc1ccccn1 | 2 | 2 |
| mol3708 | Fc1cccnc1 | 2 | 2 |
| mol3709 | O=Cc1ccccn1 | 2 | 2 |
| mol3710 | O=Cc1cccnc1 | 2 | 2 |
| mol3711 | O=Cc1ccncc1 | 2 | 2 |
| mol3712 | COc1cccnc1C=O | 2 | 2 |
| mol3713 | COc1cnccc1C=O | 2 | 2 |
| mol3714 | CCCCCCc1ccccn1 | 2 | 2 |
| mol3715 | NNC(=O)c1ccccn1 | 4 | 5 |
| mol3716 | NNC(=O)c1cccnc1 | 4 | 5 |
| mol3717 | NNC(=O)c1ccncc1 | 4 | 5 |
| mol3718 | OC(c1ccccc1)(c1ccccc1)c1ccccn1 | 2 | 2 |
| mol3719 | OCc1ncccc1O | 3 | 3 |
| mol3720 | OCc1ccncc1O | 3 | 4 |