| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol6081 | CC(=O)Nc1ccc(C(O)CNC(C)C)cc1 | 2 | 2 |
| mol6082 | N=C(N)Cc1ccccc1 | 2 | 2 |
| mol6083 | CCCC(N)c1ccccc1 | 2 | 2 |
| mol6084 | CCCC(N)c1ccc(C)cc1 | 2 | 2 |
| mol6085 | CC(N)c1cccc(Br)c1 | 2 | 2 |
| mol6086 | CC(N)c1ccc(Br)cc1 | 2 | 2 |
| mol6087 | CCCCOc1ccc(C(C)N)cc1 | 2 | 2 |
| mol6088 | CC(N)c1ccccc1Cl | 2 | 2 |
| mol6089 | CC(N)c1ccc(Cl)cc1 | 2 | 2 |
| mol6090 | NCCc1ccc(O)cc1O | 4 | 8 |
| mol6091 | CC(N)c1ccc(F)cc1 | 2 | 2 |
| mol6092 | NCCc1ccccc1O | 3 | 4 |
| mol6093 | NCCc1cccc(O)c1 | 3 | 4 |
| mol6094 | CC(C)c1ccc(C(C)N)cc1 | 2 | 2 |
| mol6095 | COc1ccccc1CCN | 2 | 2 |
| mol6096 | COc1cccc(CCN)c1 | 2 | 2 |
| mol6097 | COc1ccc(C(C)N)cc1 | 2 | 2 |
| mol6098 | Cc1cccc(C(C)N)c1 | 2 | 2 |
| mol6099 | Cc1ccc(C(C)N)cc1 | 2 | 2 |
| mol6100 | CC(N)c1cccc([N+](=O)[O-])c1 | 2 | 2 |