| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol33022 | O=C(O)C(O)C(Cl)C(=O)O | 2 | 3 |
| mol33023 | CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O | 2 | 3 |
| mol33024 | O=C(O)C(Cl)C(O)c1ccccc1 | 2 | 2 |
| mol33025 | CC(SSC(C)C(=O)O)C(=O)O | 2 | 2 |
| mol33026 | NCCSCCCCCCCCCC(=O)O | 2 | 2 |
| mol33027 | NCCSCCCCCCCCCCC(=O)O | 2 | 2 |
| mol33028 | O=C(O)CCCCCCCCCCNCCSSCCNCCCCCCCCCCC(=O)O | 3 | 3 |
| mol33029 | NC(CCCC(F)(F)F)C(=O)O | 3 | 3 |
| mol33030 | CC(CC(N)C(=O)O)C(F)(F)F | 3 | 3 |
| mol33031 | NC(CCC(F)(F)F)C(=O)O | 3 | 3 |
| mol33032 | CC(C(N)C(=O)O)C(F)(F)F | 3 | 3 |
| mol33033 | NC(C(=O)O)C(O)C(F)(F)F | 3 | 3 |
| mol33034 | NC(CO)C(=O)O | 3 | 3 |
| mol33035 | NC(C(=O)O)C(O)CC(=O)O | 4 | 4 |
| mol33036 | CCSCC(N)C(=O)O | 3 | 3 |
| mol33037 | CCOC(=O)C=CC(=O)O | 2 | 2 |
| mol33038 | CCCCC=CC(=O)O | 2 | 2 |
| mol33039 | O=C(O)CSCCCCSCC(=O)O | 2 | 2 |
| mol33040 | O=C(O)CSCCCCCSCC(=O)O | 2 | 2 |
| mol33041 | CC(SCSC(C)C(=O)O)C(=O)O | 2 | 2 |