| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol26801 | CC(=O)C[n+]1ccccc1 | 0 | 0 |
| mol26802 | CC(=O)CS(=O)(=O)O | 2 | 2 |
| mol26803 | CC(=O)c1cccc(F)c1 | 0 | 0 |
| mol26804 | O=C(CF)c1ccccc1 | 0 | 0 |
| mol26805 | O=C1CCC2CCCC1C2 | 0 | 0 |
| mol26806 | CCNC1=CC(=O)CCC1 | 0 | 0 |
| mol26807 | CC1(C)CC(=O)C=C(N)C1 | 0 | 0 |
| mol26808 | O=C(Cl)c1ccccc1 | 0 | 0 |
| mol26809 | CCC1C(=O)CC(=O)C1=O | 2 | 3 |
| mol26810 | CC(C)C1C(=O)CCC1=O | 2 | 3 |
| mol26811 | C/C(O)=C1\CCCCC1=O | 2 | 3 |
| mol26812 | COC(=O)C1CCCC1=O | 2 | 3 |
| mol26813 | CC(=O)c1ccc(C#N)cc1 | 0 | 0 |
| mol26814 | CC(=O)/C=C/c1ccccc1 | 0 | 0 |
| mol26815 | O=C(c1ccccc1)C1CC1 | 0 | 0 |
| mol26816 | O=C1CCCc2ccccc21 | 0 | 0 |
| mol26817 | O=C1CCCS(=O)(=O)C1 | 2 | 2 |
| mol26818 | O=CCC(=O)c1ccccc1 | 0 | 0 |
| mol26819 | CC(=O)c1cccc(C)c1C | 0 | 0 |
| mol26820 | CC(=O)c1ccc(C)c(C)c1 | 0 | 0 |