| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol31101 | OC(O)=C1C=CC=C1 | 3 | 3 |
| mol31102 | OCC(F)(F)CO | 2 | 2 |
| mol31103 | O=C1CCCC=C1O | 2 | 3 |
| mol31104 | O=C1CCC/C1=C\O | 2 | 2 |
| mol31105 | CC(O)C(F)(F)F | 2 | 2 |
| mol31106 | OCCC(F)(F)F | 2 | 2 |
| mol31107 | CC(=O)/C(C)=C(/C)O | 2 | 3 |
| mol31108 | CC(C)=C(O)C(C)C | 0 | 0 |
| mol31109 | O=C1NCC(O)=C1O | 3 | 5 |
| mol31110 | OCC(F)(F)Cl | 0 | 0 |
| mol31111 | OC(O)C(F)(F)F | 2 | 2 |
| mol31112 | COC(=O)/C=C(/C)O | 2 | 2 |
| mol31113 | O[C@@H]1CCCC[C@H]1O | 0 | 0 |
| mol31114 | OC#Cc1ccccc1 | 0 | 0 |
| mol31115 | C=C(O)c1ccccc1 | 0 | 0 |
| mol31116 | O/C=C/c1ccccc1 | 0 | 0 |
| mol31117 | CCOC(O)OCC | 2 | 2 |
| mol31118 | OCCC(O)CCO | 0 | 0 |
| mol31119 | O/C(=C\Cl)CCl | 0 | 0 |
| mol31120 | CC(O)=C(Cl)Cl | 0 | 0 |