| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol9081 | O=P(O)(O)OCC(O)CO | 3 | 3 |
| mol9082 | O=P(O)(O)OC(CO)CO | 3 | 3 |
| mol9083 | CC(N)CS | 3 | 4 |
| mol9084 | CC(S)CN | 3 | 4 |
| mol9085 | CC(C)(P(=O)(O)O)P(=O)(O)O | 4 | 5 |
| mol9086 | CC(CP(=O)(O)O)P(=O)(O)O | 5 | 9 |
| mol9087 | O=P(O)(O)CCCP(=O)(O)O | 5 | 6 |
| mol9088 | O=C(C(F)(F)Cl)C(F)(F)Cl | 0 | 0 |
| mol9089 | O=C(C(F)(F)Cl)C(F)(Cl)Cl | 0 | 0 |
| mol9090 | O=C(C(F)(Cl)Cl)C(F)(Cl)Cl | 0 | 0 |
| mol9091 | ON=C(C(F)(F)F)C(F)(F)F | 2 | 2 |
| mol9092 | O=C(C(F)F)C(F)(F)Cl | 0 | 0 |
| mol9093 | O=C(C(Br)Br)C(F)(F)F | 0 | 0 |
| mol9094 | O=c1[nH]nc(Cl)c(=O)[nH]1 | 2 | 3 |
| mol9095 | O=c1[nH]nc(Br)c(=O)[nH]1 | 2 | 3 |
| mol9096 | O=c1[nH]nc(I)c(=O)[nH]1 | 2 | 3 |
| mol9097 | ONC(C(F)(F)F)C(F)(F)F | 2 | 2 |
| mol9098 | O=c1ccs[nH]1 | 0 | 0 |
| mol9099 | O=C1CSC(=S)N1 | 2 | 2 |
| mol9100 | O=c1[nH]ncc(=S)[nH]1 | 2 | 3 |