| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol14101 | CC1C(=O)CC(C)(C)CC1=O | 2 | 2 |
| mol14102 | OB(O)CCc1ccccc1 | 0 | 0 |
| mol14103 | CSc1ccccc1C(=O)O | 2 | 2 |
| mol14104 | CC1(C)CC(=O)C(Br)C(=O)C1 | 2 | 2 |
| mol14105 | COc1ccc(C(=O)S)cc1 | 2 | 2 |
| mol14106 | O=C(O)C(F)c1ccccc1 | 2 | 2 |
| mol14107 | O=C(O)CCCc1cccs1 | 2 | 2 |
| mol14108 | CSc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol14109 | O=C(O)c1ccc(CCl)cc1 | 2 | 2 |
| mol14110 | COC(=O)c1ccccc1S | 2 | 2 |
| mol14111 | C=C(C)C1=C(O)CC(C)CC1 | 2 | 2 |
| mol14112 | Cc1ccc(C(C)C)cc1O | 2 | 2 |
| mol14113 | CCc1cc(O)cc(C)c1Cl | 2 | 2 |
| mol14114 | CC(=O)c1ccc(O)c(O)c1 | 2 | 3 |
| mol14115 | O=C(O)C(=O)c1ccccc1 | 2 | 2 |
| mol14116 | OC(O)=C(O)c1ccccc1 | 2 | 4 |
| mol14117 | COC(=O)c1ccc(O)cc1 | 2 | 2 |
| mol14118 | O=C(O)c1ccc(CO)cc1 | 2 | 2 |
| mol14119 | O=Cc1ccccc1C(=O)O | 2 | 2 |
| mol14120 | O=C(O)c1ccccc1CO | 2 | 2 |