| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6581 | Cc1nc(C)c(C)c([N+](=O)[O-])c1C | 2 | 2 |
| mol6582 | c1ccc(-c2nccs2)nc1 | 2 | 3 |
| mol6583 | c1ccc(-c2cscn2)nc1 | 2 | 3 |
| mol6584 | c1ccc(-c2cncs2)nc1 | 2 | 3 |
| mol6585 | c1ccc(-c2cccs2)nc1 | 2 | 2 |
| mol6586 | Brc1ccnc(Br)c1Br | 2 | 2 |
| mol6587 | Brc1ccc(Br)c(Br)n1 | 2 | 2 |
| mol6588 | Brc1cc(Br)nc(Br)c1 | 2 | 2 |
| mol6589 | Brc1cncc(Br)c1Br | 2 | 2 |
| mol6590 | O=C(O)c1cncc(C(=O)O)c1C(=O)O | 4 | 7 |
| mol6591 | Cn1cc(Cl)c(=O)c(Cl)c1Cl | 0 | 0 |
| mol6592 | O=c1c(Cl)c[nH]c(Cl)c1Cl | 2 | 2 |
| mol6593 | COc1c(Cl)cnc(Cl)c1Cl | 2 | 2 |
| mol6594 | C(=NNc1ccccn1)c1ccccn1 | 3 | 10 |
| mol6595 | CC(=O)c1cccc[n+]1[O-] | 0 | 0 |
| mol6596 | CC(=O)c1cc[n+]([O-])cc1 | 0 | 0 |
| mol6597 | [O-][n+]1cccc(Br)c1 | 0 | 0 |
| mol6598 | [O-][n+]1ccccc1Cl | 0 | 0 |
| mol6599 | [O-][n+]1cccc(Cl)c1 | 0 | 0 |
| mol6600 | [O-][n+]1ccc(Cl)cc1 | 0 | 0 |