| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol15841 | Oc1cnoc1 | 2 | 2 |
| mol15842 | S=C1NCCO1 | 2 | 2 |
| mol15843 | Nc1cc[nH]n1 | 2 | 3 |
| mol15844 | Nc1cn[nH]c1 | 2 | 3 |
| mol15845 | CC(=O)CC=O | 2 | 2 |
| mol15846 | C=C(F)C(=O)O | 2 | 2 |
| mol15847 | O=C(O)C#CI | 2 | 2 |
| mol15848 | CC(I)C(=O)O | 2 | 2 |
| mol15849 | O=C(O)CCP | 2 | 2 |
| mol15850 | CC(P)C(=O)O | 2 | 2 |
| mol15851 | CCCS(=O)O | 2 | 2 |
| mol15852 | CC(C)S(=O)O | 2 | 2 |
| mol15853 | CCC[Se](=O)O | 2 | 2 |
| mol15854 | CCSC(O)O | 3 | 3 |
| mol15855 | CCOC(=S)S | 2 | 2 |
| mol15856 | OC(CS)CS | 3 | 3 |
| mol15857 | O=C(CCl)CCl | 2 | 2 |
| mol15858 | CCSC(C)O | 2 | 2 |
| mol15859 | O=C/C(O)=C/O | 3 | 3 |
| mol15860 | O=C/C(O)=C\O | 2 | 2 |