| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol22341 | O=C(O)COC1CCCCC1 | 2 | 2 |
| mol22342 | CC(C)(C)C(=O)CCC(=O)O | 2 | 2 |
| mol22343 | CC(OC1CCCC1)C(=O)O | 2 | 2 |
| mol22344 | O=C(O)C(O)C1CCCCC1 | 2 | 2 |
| mol22345 | CCOC(=O)CC(=O)C(=O)O | 2 | 2 |
| mol22346 | C/C(=N\O)C(=O)NCC(=O)O | 3 | 3 |
| mol22347 | O=C(O)C1=CCc2ccccc21 | 3 | 3 |
| mol22348 | COC(=O)CCCCC(=O)O | 2 | 2 |
| mol22349 | CCOC(=O)CCCC(=O)O | 0 | 0 |
| mol22350 | CC([N+](=O)[O-])C(C)(C)C(=O)O | 2 | 2 |
| mol22351 | C/C(Br)=C\C(=O)O | 2 | 2 |
| mol22352 | C/C(Br)=C/C(=O)O | 2 | 2 |
| mol22353 | O=C(O)[C@H]1C[C@@H]1Br | 2 | 2 |
| mol22354 | O=C(O)CCC(O)(O)C(=O)O | 2 | 3 |
| mol22355 | CCC1=C(C(=O)O)C2C=CC1C2 | 0 | 0 |
| mol22356 | C/C=C/C=C/C=C/C=C/C(=O)O | 2 | 2 |
| mol22357 | O=C(O)/C(=N\O)c1ccccc1 | 3 | 3 |
| mol22358 | O=C(O)/C(=N/O)c1ccccc1 | 3 | 3 |
| mol22359 | CC(Br)CC(=O)O | 2 | 2 |
| mol22360 | CCCS(=O)(=O)CC(=O)O | 2 | 2 |