| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol221 | CCCN1CCCCC1 | 2 | 2 |
| mol222 | CC(=O)N1CCNCC1 | 2 | 2 |
| mol223 | CC(=O)CCCN(C)C | 2 | 2 |
| mol224 | CC(=O)OCCN(C)C | 2 | 2 |
| mol225 | CCOC(=O)CCCN | 2 | 2 |
| mol226 | O=S1(=O)CCNCC1 | 2 | 2 |
| mol227 | CC(=O)CC1CCCCN1 | 2 | 2 |
| mol228 | CC1(C)CCCC(C)(C)N1 | 2 | 2 |
| mol229 | CC(=O)CCCCN(C)C | 2 | 2 |
| mol230 | CC(=O)OCCCN(C)C | 2 | 2 |
| mol231 | CCOC(=O)CCCCN | 2 | 2 |
| mol232 | CCCNCc1ccccc1 | 2 | 2 |
| mol233 | NCCSc1ccccc1 | 2 | 2 |
| mol234 | CC1(C)CC(=O)CC(C)(C)N1 | 2 | 2 |
| mol235 | CCOC(=O)N1CCNCC1 | 2 | 2 |
| mol236 | CC(=O)OCCCCN(C)C | 2 | 2 |
| mol237 | CCOC(=O)CCCCCN | 2 | 2 |
| mol238 | c1ccc(N2CCNCC2)cc1 | 2 | 2 |
| mol239 | c1ccc(N2CCNCC2)nc1 | 2 | 3 |
| mol240 | c1cnc(N2CCNCC2)nc1 | 2 | 3 |