| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol25061 | CC(=O)Oc1cccnc1 | 2 | 2 |
| mol25062 | Cc1cc(C)c(O)c(C)n1 | 0 | 0 |
| mol25063 | O=C(O)c1ccc(O)cn1 | 0 | 0 |
| mol25064 | O=C(O)c1cncc(O)c1 | 0 | 0 |
| mol25065 | Nc1cccnc1[N+](=O)[O-] | 3 | 4 |
| mol25066 | C[n+]1ccc(NCO)cc1 | 0 | 0 |
| mol25067 | Cc1c(O)c(O)cc[n+]1C | 2 | 3 |
| mol25068 | C[n+]1cc(Cl)ccc1N | 0 | 0 |
| mol25069 | Cc1cccc(C(C)(C)C)n1 | 0 | 0 |
| mol25070 | CN(C)C(=O)c1cccnc1 | 2 | 2 |
| mol25071 | CC(=O)Nc1cccc(C)n1 | 2 | 2 |
| mol25072 | CC(=O)Nc1cc[n+](C)cc1 | 2 | 3 |
| mol25073 | CC(=O)Nc1cccc[n+]1C | 2 | 2 |
| mol25074 | CC(=O)N(C)c1ccc[n+](C)c1 | 0 | 0 |
| mol25075 | C[n+]1cc([N+](=O)[O-])ccc1N | 0 | 0 |
| mol25076 | C[n+]1cccc([N+](=O)[O-])c1N | 0 | 0 |
| mol25077 | OCc1cncc(O)c1CO | 2 | 2 |
| mol25078 | O=[N+]([O-])c1ccc(Cl)nc1 | 2 | 2 |
| mol25079 | Cc1ccc(-c2ccccn2)[nH]1 | 2 | 2 |
| mol25080 | Cc1ccc(-c2cccnc2)[nH]1 | 2 | 2 |