| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol5601 | O=C(O)c1cccc(C(=O)O)c1 | 3 | 3 |
| mol5602 | O=C(O)c1ccc(C(=O)O)cc1 | 3 | 3 |
| mol5603 | O=C(O)c1ccccc1Cl | 2 | 2 |
| mol5604 | O=C(O)c1cccc(Cl)c1 | 2 | 2 |
| mol5605 | O=C(O)c1ccc(Cl)cc1 | 2 | 2 |
| mol5606 | CCOc1ccccc1C(=O)O | 2 | 2 |
| mol5607 | CCOc1cccc(C(=O)O)c1 | 2 | 2 |
| mol5608 | CCOc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol5609 | CCc1ccccc1C(=O)O | 2 | 2 |
| mol5610 | CCc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol5611 | O=C(O)c1ccccc1F | 2 | 2 |
| mol5612 | O=C(O)c1cccc(F)c1 | 2 | 2 |
| mol5613 | O=C(O)c1ccc(F)cc1 | 2 | 2 |
| mol5614 | O=C(O)c1cccc(O)c1 | 3 | 3 |
| mol5615 | O=C(O)c1ccccc1I | 2 | 2 |
| mol5616 | O=C(O)c1cccc(I)c1 | 2 | 2 |
| mol5617 | O=C(O)c1ccc(I)cc1 | 2 | 2 |
| mol5618 | COc1ccccc1C(=O)O | 2 | 2 |
| mol5619 | COc1cccc(C(=O)O)c1 | 2 | 2 |
| mol5620 | COc1ccc(C(=O)O)cc1 | 2 | 2 |