| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol27401 | CCSC=O | 0 | 0 |
| mol27402 | COC(=O)CC#N | 0 | 0 |
| mol27403 | COC(=O)C1CC1 | 0 | 0 |
| mol27404 | O=C1CCCCO1 | 0 | 0 |
| mol27405 | COC(=O)C(C)C | 0 | 0 |
| mol27406 | CCSC(C)=O | 0 | 0 |
| mol27407 | CCOC(=O)CC#N | 2 | 2 |
| mol27408 | CC(=O)OC(C)(C)C | 0 | 0 |
| mol27409 | COC(=O)C(C)(C)C | 0 | 0 |
| mol27410 | COC(=O)C[N+](=O)[O-] | 2 | 2 |
| mol27411 | CCOC(=O)CCl | 0 | 0 |
| mol27412 | COC(=O)C(F)(F)F | 0 | 0 |
| mol27413 | CC1(C)CCCC(=O)O1 | 0 | 0 |
| mol27414 | CC1(C)OCCC(=O)O1 | 0 | 0 |
| mol27415 | COC(=O)CC(=O)OC | 2 | 2 |
| mol27416 | O=C1Cc2ccccc2O1 | 0 | 0 |
| mol27417 | CC(C)(C)OC(=O)CC#N | 0 | 0 |
| mol27418 | CCOC(=O)C(F)(F)F | 0 | 0 |
| mol27419 | CC1(C)CC(=O)CC(=O)O1 | 0 | 0 |
| mol27420 | COC(=O)C1CCCCC1 | 0 | 0 |