| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13641 | COc1cc[n+](O)cc1 | 2 | 2 |
| mol13642 | O=C(O)c1cnc(Cl)s1 | 2 | 2 |
| mol13643 | O=C(O)c1csc(Cl)n1 | 2 | 2 |
| mol13644 | O=C(O)c1cnc(Br)s1 | 2 | 2 |
| mol13645 | O=C(O)c1csc(Br)n1 | 2 | 2 |
| mol13646 | CC1(C)SC(=O)NC1=O | 2 | 2 |
| mol13647 | Cc1ncsc1C(=O)O | 2 | 2 |
| mol13648 | Cc1ncc(C(=O)O)s1 | 2 | 2 |
| mol13649 | Cc1cnc(C(=O)O)s1 | 2 | 2 |
| mol13650 | CN1CSCC1C(=O)O | 3 | 3 |
| mol13651 | Cc1nc(C(=O)O)cs1 | 2 | 3 |
| mol13652 | NC[C@H]1CCCC[C@@H]1O | 2 | 2 |
| mol13653 | CN[C@H]1CCCC[C@@H]1O | 2 | 2 |
| mol13654 | N[C@H]1CCCCC[C@@H]1O | 2 | 2 |
| mol13655 | CC1CC[C@H](O)[C@@H](N)C1 | 2 | 2 |
| mol13656 | CCN(CC)CC1CO1 | 2 | 2 |
| mol13657 | OCCc1cccnc1 | 2 | 2 |
| mol13658 | O/N=C\c1ccccc1 | 2 | 2 |
| mol13659 | O/N=C/c1ccccc1 | 2 | 2 |
| mol13660 | NOCc1ccccc1 | 2 | 2 |