| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol33002 | O=C(O)C=CC(F)(F)C(F)(F)C(F)F | 2 | 2 |
| mol33003 | O=C(O)C(Cl)C(Br)C(=O)O | 3 | 4 |
| mol33004 | CC1CCCCC1OCC(=O)O | 2 | 2 |
| mol33005 | CC1CCCC(OCC(=O)O)C1 | 2 | 2 |
| mol33006 | O=C(O)COC1CCC2CCCCC2C1 | 2 | 2 |
| mol33007 | CC(OC1CCCCC1C)C(=O)O | 2 | 2 |
| mol33008 | CCC(O)(CC)C(=O)O | 2 | 2 |
| mol33009 | CC(CCC(O)C(C)C)CC(=O)O | 2 | 2 |
| mol33010 | O=C(O)C1CCCC(O)CC1 | 2 | 2 |
| mol33011 | O=C(O)CC(CC(=O)O)OC(=O)O | 4 | 6 |
| mol33012 | CC(C)C(=O)NCC(=O)O | 2 | 2 |
| mol33013 | CCC(N)CC(=O)O | 3 | 3 |
| mol33014 | NCCCC(N)C(=O)O | 4 | 5 |
| mol33015 | NC(=O)NCCCC(N)C(=O)O | 3 | 3 |
| mol33016 | NCCCCC(N)C(=O)O | 4 | 5 |
| mol33017 | CCOC(=O)C(N)CCC(=O)O | 2 | 2 |
| mol33018 | CCOC(=O)CCC(N)C(=O)O | 2 | 2 |
| mol33019 | NC(CS(=O)(=O)O)C(=O)O | 3 | 4 |
| mol33020 | Cc1cc(Cl)cc(Cl)c1OCC(=O)O | 2 | 2 |
| mol33021 | CC(O)C(=O)OC(C)C(=O)O | 2 | 2 |