| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12441 | CC(C)=CCC(=O)O | 2 | 2 |
| mol12442 | CC(C)CCC(=O)O | 2 | 2 |
| mol12443 | CCC(C)=CC(=O)O | 2 | 2 |
| mol12444 | CC(C)C(=O)CC=O | 2 | 2 |
| mol12445 | CC(C)C(Br)C(=O)O | 2 | 2 |
| mol12446 | CCSC(C)C(=O)O | 2 | 2 |
| mol12447 | CC(C)SCC(=O)O | 2 | 2 |
| mol12448 | C[Si](C)(C)CC(=O)O | 2 | 2 |
| mol12449 | COCCSC(C)O | 2 | 2 |
| mol12450 | C=C(C)C(C)=C(C)O | 0 | 0 |
| mol12451 | CC[As](=O)(CC)CC | 0 | 0 |
| mol12452 | COC(=O)C=C(C)O | 2 | 2 |
| mol12453 | COC(C)=CC(=O)O | 2 | 2 |
| mol12454 | O=CCCCC(=O)O | 2 | 2 |
| mol12455 | CNCC(C)CNC | 2 | 2 |
| mol12456 | CCNN(CC)CC | 2 | 3 |
| mol12457 | CCN(CC)N(C)C | 2 | 3 |
| mol12458 | CCN(C)N(C)CC | 2 | 2 |
| mol12459 | CCCN(N)CCC | 2 | 3 |
| mol12460 | CC(=NO)C(C)=NO | 2 | 2 |