| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12401 | O=C1CCCC(=O)N1 | 2 | 2 |
| mol12402 | O/N=C\c1ccco1 | 2 | 2 |
| mol12403 | O/N=C/c1ccco1 | 2 | 2 |
| mol12404 | [O-][n+]1cccc(O)c1 | 2 | 2 |
| mol12405 | O=c1cc[nH]cc1O | 3 | 3 |
| mol12406 | O=C(O)C1CCCN1 | 3 | 3 |
| mol12407 | Oc1cccc[n+]1O | 2 | 3 |
| mol12408 | O=[N+](O)C1=CC=CC1 | 2 | 1 |
| mol12409 | Oc1cc[n+](O)cc1 | 2 | 2 |
| mol12410 | O=C1CC(S)C(=O)N1 | 2 | 2 |
| mol12411 | O=C(O)c1cncs1 | 2 | 2 |
| mol12412 | O=C(O)c1cscn1 | 2 | 3 |
| mol12413 | O=C(O)c1nccs1 | 2 | 3 |
| mol12414 | N[C@H]1CCCC[C@@H]1O | 2 | 2 |
| mol12415 | N[C@H]1CCC[C@H](O)C1 | 2 | 2 |
| mol12416 | N[C@@H]1CCC[C@H](O)C1 | 2 | 2 |
| mol12417 | C[n+]1cccc(O)c1 | 2 | 2 |
| mol12418 | C[n+]1ccccc1O | 2 | 2 |
| mol12419 | Cc1ccc[n+](O)c1 | 2 | 2 |
| mol12420 | Cc1cc[n+](O)cc1 | 2 | 2 |