| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4661 | Cc1c2ccccc2nc[n+]1[O-] | 0 | 0 |
| mol4662 | Cc1ccc2c[n+]([O-])cnc2c1 | 0 | 0 |
| mol4663 | c1ccc2nccnc2c1 | 3 | 3 |
| mol4664 | Nc1cnc2ccccc2n1 | 2 | 4 |
| mol4665 | Nc1cccc2nccnc12 | 2 | 4 |
| mol4666 | Nc1ccc2nccnc2c1 | 2 | 4 |
| mol4667 | NC(=O)c1cnc2ccccc2n1 | 0 | 0 |
| mol4668 | Nc1nc2ccccc2nc1N | 2 | 3 |
| mol4669 | Cc1nc2ccccc2n(C)c1=O | 2 | 2 |
| mol4670 | Cn1c(=O)cnc2ccccc21 | 2 | 2 |
| mol4671 | Cn1c(=S)cnc2ccccc21 | 0 | 0 |
| mol4672 | COc1nc2ccccc2nc1OC | 2 | 2 |
| mol4673 | CN(C)c1cnc2ccccc2n1 | 2 | 4 |
| mol4674 | Sc1cnc2ccccc2n1 | 3 | 4 |
| mol4675 | COc1cnc2ccccc2n1 | 2 | 3 |
| mol4676 | COc1nc2ccccc2nc1C | 2 | 3 |
| mol4677 | Cc1cnc2ccccc2n1 | 2 | 3 |
| mol4678 | CNc1cnc2ccccc2n1 | 2 | 4 |
| mol4679 | CSc1cnc2ccccc2n1 | 2 | 3 |
| mol4680 | c1ccc2c(c1)NCCN2 | 3 | 3 |