| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6321 | Nc1cccc(=O)cc1 | 2 | 2 |
| mol6322 | COc1ccccc(N)c1=O | 2 | 2 |
| mol6323 | COc1c(N)ccccc1=O | 2 | 2 |
| mol6324 | COc1cccc(N)cc1=O | 2 | 2 |
| mol6325 | COc1cc(N)cccc1=O | 2 | 2 |
| mol6326 | COc1ccc(N)ccc1=O | 2 | 2 |
| mol6327 | NCCNCC1CCCO1 | 3 | 4 |
| mol6328 | C1COC(CNCCNC2CCCO2)C1 | 3 | 4 |
| mol6329 | C=C(C)C(=O)OCCN1CCCCC1 | 2 | 2 |
| mol6330 | NCCC1CCCCN1 | 3 | 4 |
| mol6331 | NCC1CCCCN1 | 3 | 4 |
| mol6332 | O=C(O)CN1CCCCC1 | 3 | 3 |
| mol6333 | O=C(O)C1CCCC(C(=O)O)N1 | 4 | 4 |
| mol6334 | CC1(C)CC(O)CC(C)(C)N1O | 2 | 2 |
| mol6335 | CC1CCCN(C)C1 | 2 | 2 |
| mol6336 | C[C@H]1CCN[C@@H](C)C1 | 2 | 2 |
| mol6337 | C[C@@H]1CCN[C@@H](C)C1 | 2 | 2 |
| mol6338 | C=C1CCN(C)C(C)C1 | 2 | 2 |
| mol6339 | C=C1CCN(C)CC1C | 2 | 2 |
| mol6340 | CCC1CCNCC1 | 2 | 2 |