| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4441 | CN1CC=Cc2cc(S)ccc21 | 2 | 3 |
| mol4442 | COc1ccc2ccccc2n1 | 2 | 2 |
| mol4443 | COc1ccnc2ccccc12 | 2 | 2 |
| mol4444 | COc1ccc2ncccc2c1 | 2 | 2 |
| mol4445 | COc1cccc2cccnc12 | 2 | 2 |
| mol4446 | COc1cccc2ccc(C)nc12 | 2 | 2 |
| mol4447 | COC(=O)c1ccc2ccccc2n1 | 2 | 2 |
| mol4448 | COC(=O)c1ccc2ncccc2c1 | 2 | 2 |
| mol4449 | Cc1ccc2ccccc2n1 | 2 | 2 |
| mol4450 | Cc1cnc2ccccc2c1 | 2 | 2 |
| mol4451 | Cc1ccnc2ccccc12 | 2 | 2 |
| mol4452 | Cc1cccc2ncccc12 | 2 | 2 |
| mol4453 | Cc1ccc2ncccc2c1 | 2 | 2 |
| mol4454 | Cc1ccc2cccnc2c1 | 2 | 2 |
| mol4455 | Cc1cccc2cccnc12 | 2 | 2 |
| mol4456 | CSc1ccc2ccccc2n1 | 2 | 2 |
| mol4457 | CSc1cnc2ccccc2c1 | 2 | 2 |
| mol4458 | CSc1ccnc2ccccc12 | 2 | 2 |
| mol4459 | CSc1cccc2ncccc12 | 2 | 2 |
| mol4460 | CSc1ccc2ncccc2c1 | 2 | 2 |