| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13501 | CCN(CC)CCSC | 2 | 2 |
| mol13502 | C[N+](C)(C)C[Sn](C)(C)C | 0 | 0 |
| mol13503 | O=C(O)CC(=O)/C=N/O | 3 | 3 |
| mol13504 | CC(C)(C#N)CC(=O)O | 2 | 2 |
| mol13505 | C=C(C)C(=O)OCCN | 2 | 2 |
| mol13506 | CC(C)=CC(=O)/C=N/O | 2 | 2 |
| mol13507 | CC(O)CNCC(C)O | 2 | 2 |
| mol13508 | CN(O)C(=O)C(C)(C)C | 2 | 2 |
| mol13509 | CC(C)=C(C#N)C(=O)O | 2 | 2 |
| mol13510 | CCCNC(C)C(=O)O | 3 | 3 |
| mol13511 | CCCCC(N)C(=O)O | 3 | 3 |
| mol13512 | CCC(C)C(N)C(=O)O | 3 | 3 |
| mol13513 | CNC(C(=O)O)C(C)C | 2 | 2 |
| mol13514 | CCNCCCC(=O)O | 3 | 3 |
| mol13515 | CNS(=O)(=O)C(F)(F)F | 2 | 2 |
| mol13516 | COCC(C)CN(C)C | 2 | 2 |
| mol13517 | CCCCCC/C=N/O | 2 | 2 |
| mol13518 | CC(=O)N(C)CC(=O)O | 3 | 4 |
| mol13519 | CC(CC(=O)O)C(N)=O | 2 | 2 |
| mol13520 | CCOC(=O)C(C)=NO | 2 | 2 |