| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol2221 | Nc1ccc(Sc2ccccc2)cc1 | 2 | 2 |
| mol2222 | Cc1ccc(N(C)C)c(C)c1 | 2 | 2 |
| mol2223 | Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 | 2 | 2 |
| mol2224 | Cc1cccnc1N | 2 | 3 |
| mol2225 | CC(C)(C)[P@@H](=O)O | 2 | 2 |
| mol2226 | N#CC(=O)O | 2 | 2 |
| mol2227 | O=C(O)c1ccc(O)c(O)c1 | 4 | 5 |
| mol2228 | CCOCCN | 2 | 2 |
| mol2229 | CCOc1ccccc1O | 2 | 2 |
| mol2230 | OC(=S)CCCCC(O)=S | 2 | 2 |
| mol2231 | O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 | 0 | 0 |
| mol2232 | O=Cc1cccc(O)c1 | 2 | 2 |
| mol2233 | CC[C@@H](O)C(=O)O | 2 | 2 |
| mol2234 | CCCc1ccccc1O | 2 | 2 |
| mol2235 | Oc1cccc2c1CCC2 | 2 | 2 |
| mol2236 | CC[C@H](S)C(=O)O | 2 | 2 |
| mol2237 | O=C(O)[C@@H](O)CO | 2 | 2 |
| mol2238 | COc1ccc([P@@H](=O)O)cc1 | 2 | 2 |
| mol2239 | CNCc1cccc(C)n1 | 2 | 3 |
| mol2240 | CCC[P@@H](=O)O | 2 | 2 |