| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol9501 | CC(CCC([N+](=O)[O-])[N+](=O)[O-])(N(F)F)N(F)F | 2 | 2 |
| mol9502 | S=C(S)N1CCOCC1 | 2 | 2 |
| mol9503 | CN(C)C(=S)SCC(=O)O | 2 | 2 |
| mol9504 | CSC(=S)N(C)CC(=O)O | 2 | 2 |
| mol9505 | CN(C)C(=S)OCC(=O)O | 2 | 2 |
| mol9506 | CN(C)C(=O)SCC(=O)O | 2 | 2 |
| mol9507 | CN(C)CC(O)C(F)(F)F | 2 | 2 |
| mol9508 | CN(C)C(=S)NCC(=O)O | 2 | 2 |
| mol9509 | O=C(O)CN(CC(=O)O)CP(=O)(O)O | 4 | 10 |
| mol9510 | CNC(=S)OC(C)C | 2 | 2 |
| mol9511 | CC(C)(S)C(N)C(=O)O | 4 | 5 |
| mol9512 | CSCCC(N)C(=O)NO | 3 | 3 |
| mol9513 | NCCSSCC(N)C(=O)O | 3 | 4 |
| mol9514 | CCCCOP(C)(=S)S | 2 | 1 |
| mol9515 | C[N+](C)(C)CC(=O)NO | 2 | 2 |
| mol9516 | CCCCOP(C)(O)=S | 2 | 1 |
| mol9517 | CCCP(O)(=S)OCC | 2 | 1 |
| mol9518 | CC(C)COP(C)(O)=S | 0 | 0 |
| mol9519 | CCCSP(=O)(O)CC | 2 | 2 |
| mol9520 | CCN(CC)CP(=O)(O)O | 3 | 3 |