| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol26821 | CC(=O)c1cc(C)ccc1C | 0 | 0 |
| mol26822 | CC(=O)c1ccc(C)cc1C | 0 | 0 |
| mol26823 | CC(=O)c1cc(C)cc(C)c1 | 0 | 0 |
| mol26824 | O=CC1=CC(C=O)C(C=O)=C1 | 0 | 0 |
| mol26825 | COCC(=O)c1ccccc1 | 0 | 0 |
| mol26826 | O=C1CCCC1=C1CCCC1 | 0 | 0 |
| mol26827 | O=C1CC[C@H]2CCCC[C@@H]2C1 | 0 | 0 |
| mol26828 | CC(C)NC1=CC(=O)CCC1 | 0 | 0 |
| mol26829 | CC/N=C1/C=C(OC)CCC1 | 2 | 2 |
| mol26830 | CNC1=CC(=O)CC(C)(C)C1 | 0 | 0 |
| mol26831 | Cc1ccc(C(=O)Cl)cc1 | 0 | 0 |
| mol26832 | O=C(Cl)Cc1ccccc1 | 0 | 0 |
| mol26833 | CC(C)C1C(=O)CC(=O)C1=O | 2 | 2 |
| mol26834 | O=C1CCCCCCCCC1 | 0 | 0 |
| mol26835 | CC(=O)NC1=C(O)CCC1=O | 2 | 2 |
| mol26836 | CC(=O)NC1C(=O)CCC1=O | 2 | 2 |
| mol26837 | O=C(CO)OP(=O)(O)O | 0 | 0 |
| mol26838 | O=C(c1ccccc1)C(F)F | 0 | 0 |
| mol26839 | CC(C)(C)CC(=O)C(C)(C)C | 0 | 0 |
| mol26840 | O=C1CC2CCC2C[C@@H]1Cl | 0 | 0 |