| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol22221 | CC(O)C(C)C(=O)O | 2 | 2 |
| mol22222 | C[N+](C)(C)CC(=O)O | 2 | 2 |
| mol22223 | O=C(O)CC[N+](=O)[O-] | 2 | 2 |
| mol22224 | NOCCCC(=O)O | 3 | 4 |
| mol22225 | C/C=C(/Cl)C(=O)O | 2 | 2 |
| mol22226 | C/C(Cl)=C\C(=O)O | 2 | 2 |
| mol22227 | CCC(S)C(=O)O | 2 | 2 |
| mol22228 | CC(C)(S)C(=O)O | 3 | 3 |
| mol22229 | CC(O)(CO)C(=O)O | 2 | 2 |
| mol22230 | COC(OC)C(=O)O | 2 | 2 |
| mol22231 | O=C(O)C(O)CCl | 2 | 2 |
| mol22232 | O=C(O)C1=CCCCC1 | 2 | 2 |
| mol22233 | CC12CC(C(=O)O)(C1)C2 | 2 | 2 |
| mol22234 | CC(=O)[C@H]1C[C@H]1C(=O)O | 2 | 2 |
| mol22235 | CC(=O)[C@H]1C[C@@H]1C(=O)O | 2 | 2 |
| mol22236 | O=C(O)C12CC(O)(C1)C2 | 0 | 0 |
| mol22237 | CC1CCC(C(=O)O)C1 | 2 | 2 |
| mol22238 | CC(C)=CCCC(=O)O | 2 | 2 |
| mol22239 | O=C1CC(C(=O)O)CO1 | 2 | 2 |
| mol22240 | COC(=O)/C=C\C(=O)O | 2 | 2 |