| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol181 | NCCCF | 2 | 2 |
| mol182 | NCC(F)F | 2 | 2 |
| mol183 | CN(C)CC#N | 2 | 2 |
| mol184 | C1CCNCC1 | 2 | 2 |
| mol185 | CN1CCCC1 | 2 | 2 |
| mol186 | C1COCCN1 | 2 | 2 |
| mol187 | CCN(C)CC | 2 | 2 |
| mol188 | CCCN(C)C | 2 | 2 |
| mol189 | NCCC(=O)O | 3 | 3 |
| mol190 | FC1CCNC1 | 2 | 2 |
| mol191 | CN(C)CCO | 2 | 2 |
| mol192 | CN(C)CCC#N | 2 | 2 |
| mol193 | NCC(F)(F)F | 2 | 2 |
| mol194 | C1CCCNCC1 | 2 | 2 |
| mol195 | CN1CCCCC1 | 2 | 2 |
| mol196 | CN1CCOCC1 | 2 | 2 |
| mol197 | CCN(CC)CC | 2 | 2 |
| mol198 | CCCCN(C)C | 2 | 2 |
| mol199 | CCOC(=O)CN | 2 | 2 |
| mol200 | NCCCC(=O)O | 3 | 3 |