| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12481 | CC(C)CSCCN | 2 | 2 |
| mol12482 | CCN(CC)CCS | 3 | 4 |
| mol12483 | O=[N+]([O-])C(CO)CO | 2 | 2 |
| mol12484 | [O-][N+]([O-])=C(CO)CO | 2 | 3 |
| mol12485 | CC(C)C(N)C(=O)O | 3 | 3 |
| mol12486 | CC(C)(C)C(=O)NO | 2 | 2 |
| mol12487 | CCOC(=O)C(C)N | 2 | 2 |
| mol12488 | CC(C#N)CC(=O)O | 2 | 2 |
| mol12489 | CCCC/C=[N+](\[O-])O | 2 | 2 |
| mol12490 | CCNC(C)C(=O)O | 3 | 3 |
| mol12491 | CNC(C)(C)C(=O)O | 3 | 3 |
| mol12492 | CCCC(N)C(=O)O | 3 | 3 |
| mol12493 | CNCCCC(=O)O | 3 | 3 |
| mol12494 | CCNCCC(=O)O | 3 | 3 |
| mol12495 | NCC/C=C/C(=O)O | 3 | 3 |
| mol12496 | NS(=O)(=O)C(F)(F)F | 2 | 2 |
| mol12497 | NS(=O)(=O)C(F)(F)Cl | 2 | 2 |
| mol12498 | NS(=O)(=O)C(F)(F)I | 2 | 2 |
| mol12499 | NS(=O)(=O)C(F)(F)Br | 2 | 2 |
| mol12500 | CCN(CC)C(C)O | 2 | 2 |