| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12381 | Cn1ccnc1CS | 3 | 4 |
| mol12382 | O=[N+]([O-])c1ccc[nH]1 | 0 | 0 |
| mol12383 | CC(=O)c1cc[nH]n1 | 2 | 2 |
| mol12384 | Nc1ncccc1O | 2 | 3 |
| mol12385 | CC(=O)n1cccn1 | 2 | 2 |
| mol12386 | O=CN1CCNCC1 | 2 | 2 |
| mol12387 | C[n+]1cc(O)ccn1 | 2 | 3 |
| mol12388 | N[n+]1ccccc1O | 2 | 3 |
| mol12389 | C[n+]1ccncc1O | 2 | 3 |
| mol12390 | C[n+]1ccc(O)nc1 | 2 | 2 |
| mol12391 | Nc1cccc[n+]1O | 2 | 2 |
| mol12392 | COc1cnc(N)s1 | 2 | 3 |
| mol12393 | CC1CCCCC1=N | 2 | 2 |
| mol12394 | C[C@H]1CCCC[C@@H]1N | 2 | 2 |
| mol12395 | CC1=CN(C)CC1C | 0 | 0 |
| mol12396 | CC(C)N1CCCC1 | 2 | 2 |
| mol12397 | CC1CCCCN1C | 2 | 2 |
| mol12398 | C=Cc1cccnc1 | 2 | 2 |
| mol12399 | C[n+]1cccc(S)c1 | 2 | 2 |
| mol12400 | C[n+]1ccccc1S | 2 | 2 |