| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol31081 | CO/C=C(/C)O | 0 | 0 |
| mol31082 | C=C(O)COC | 0 | 0 |
| mol31083 | CCCCCO | 2 | 2 |
| mol31084 | OC1OCCO1 | 2 | 2 |
| mol31085 | CC(C)C(O)O | 2 | 2 |
| mol31086 | CC(O)C(C)O | 2 | 2 |
| mol31087 | C[N+](C)(C)CO | 2 | 2 |
| mol31088 | CN(C)C(O)O | 3 | 4 |
| mol31089 | COC(O)OC | 2 | 2 |
| mol31090 | COC(C)(O)O | 0 | 0 |
| mol31091 | O=C/C=C/C=C/O | 2 | 2 |
| mol31092 | OC1=NCC=CN1 | 2 | 3 |
| mol31093 | OC1=CCCCC1 | 0 | 0 |
| mol31094 | O=C1C=C(O)CO1 | 2 | 2 |
| mol31095 | OC1=NCCCN1 | 2 | 2 |
| mol31096 | C/C(O)=C/C(N)=O | 2 | 2 |
| mol31097 | CC1(O)OCCO1 | 2 | 2 |
| mol31098 | C[N+](C)(C)CCO | 2 | 2 |
| mol31099 | CN(C)C(C)(O)O | 0 | 0 |
| mol31100 | O=C1C=CC(=O)C=C1 | 0 | 0 |