| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol10541 | Cc1ccc(=O)c(O)c(Br)c1 | 2 | 2 |
| mol10542 | Cc1ccc(Br)c(O)c(=O)c1 | 2 | 2 |
| mol10543 | Cc1cc(=O)c(O)ccc1Br | 2 | 2 |
| mol10544 | Cc1cccc(C(=O)O)c1I | 2 | 2 |
| mol10545 | Cc1ccc(C(=O)O)c(I)c1 | 2 | 2 |
| mol10546 | Cc1ccc(I)c(C(=O)O)c1 | 2 | 2 |
| mol10547 | Cc1cccc(I)c1C(=O)O | 2 | 2 |
| mol10548 | Cc1c(I)cccc1C(=O)O | 2 | 2 |
| mol10549 | Cc1ccc(I)cc1C(=O)O | 2 | 2 |
| mol10550 | Cc1cc(I)ccc1C(=O)O | 2 | 2 |
| mol10551 | O=[N+]([O-])C=Cc1cccc(O)c1 | 2 | 2 |
| mol10552 | O=[N+]([O-])C=Cc1ccc(O)cc1 | 2 | 2 |
| mol10553 | O=C(O)COc1ccccc1Cl | 2 | 2 |
| mol10554 | O=C(O)COc1cccc(Cl)c1 | 2 | 2 |
| mol10555 | O=C(O)C(O)c1ccccc1Cl | 2 | 2 |
| mol10556 | O=C(O)C(O)c1ccc(Cl)cc1 | 2 | 2 |
| mol10557 | O=C(CCl)c1ccc(O)c(O)c1 | 3 | 4 |
| mol10558 | COC(=O)c1ccc(O)c(Cl)c1 | 2 | 2 |
| mol10559 | O=C(O)C(O)c1ccccc1Br | 2 | 2 |
| mol10560 | O=C(O)C(O)c1ccc(Br)cc1 | 2 | 2 |