| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13061 | CN(C)[C@H]1CCCC[C@@H]1O | 2 | 2 |
| mol13062 | CC1(C)CC(=O)C(C)(C)N1 | 2 | 2 |
| mol13063 | Cc1ccc(NCO)cc1 | 2 | 2 |
| mol13064 | CN(CO)c1ccccc1 | 2 | 2 |
| mol13065 | Cc1ccc(/C=N/O)cc1 | 2 | 2 |
| mol13066 | CC(=NO)c1ccccc1 | 2 | 2 |
| mol13067 | CN(O)Cc1ccccc1 | 2 | 2 |
| mol13068 | Cc1ccc(CON)cc1 | 2 | 2 |
| mol13069 | CC(=O)[n+]1cccc(C)c1 | 0 | 0 |
| mol13070 | CC(=O)[n+]1ccc(C)cc1 | 0 | 0 |
| mol13071 | CC1(C)CC(O)[N+](C)(C)C1 | 2 | 2 |
| mol13072 | C[N+](C)(O)c1ccccc1 | 2 | 2 |
| mol13073 | CN1CC(O[Si](C)(C)C)C1 | 2 | 2 |
| mol13074 | O/N=C/c1ccc(Cl)cc1 | 2 | 2 |
| mol13075 | O/N=C(/Cl)c1ccccc1 | 2 | 2 |
| mol13076 | O=C(NBr)c1ccccc1 | 2 | 2 |
| mol13077 | NOCc1ccc(Cl)cc1 | 2 | 2 |
| mol13078 | C[S+]([O-])Cc1ccccn1 | 2 | 2 |
| mol13079 | NC(=S=O)c1ccccc1 | 0 | 0 |
| mol13080 | OCNc1ccc(Cl)cc1 | 2 | 2 |