| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol5901 | CCCCNC(C)C#N | 2 | 2 |
| mol5902 | CCC(N)CN | 3 | 4 |
| mol5903 | CC(N)CCN | 3 | 4 |
| mol5904 | CCC(N)(CC)CN | 3 | 4 |
| mol5905 | CN(C)CCCCO | 2 | 2 |
| mol5906 | CCC(O)CN(CC)CC(O)CC | 2 | 2 |
| mol5907 | CCC(O)CN(CC)CCO | 2 | 2 |
| mol5908 | CCC(O)CN(CC)CC(C)O | 2 | 2 |
| mol5909 | CCCCNCCC(N)=NO | 3 | 4 |
| mol5910 | CCC(O)CN(C)CC(O)CC | 2 | 2 |
| mol5911 | CCCN(CC(O)CC)CC(O)CC | 2 | 2 |
| mol5912 | CCC(O)CN(C)CCO | 2 | 2 |
| mol5913 | CCCN(CCO)CC(O)CC | 2 | 2 |
| mol5914 | CCC(O)CN(C)CC(C)O | 2 | 2 |
| mol5915 | CCCN(CC(C)O)CC(O)CC | 2 | 2 |
| mol5916 | CCC(C)CNC(C)(C)CC | 0 | 0 |
| mol5917 | CC#CCN(C)C | 2 | 2 |
| mol5918 | C#CC(C)(C)N(C)C | 0 | 0 |
| mol5919 | CCCCCN(CCO)CC(O)CC | 2 | 2 |
| mol5920 | CCCCCN(CC(C)O)CC(O)CC | 2 | 2 |