| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol961 | c1ccc(C(NCC2CCCCC2)c2ccccc2)cc1 | 2 | 2 |
| mol962 | CN(C)[C@@H]1CCCC[C@H]1O | 2 | 2 |
| mol963 | CN[C@H](C)CC1CCCCC1 | 2 | 2 |
| mol964 | CC[C@H](C)CNC1CCCCC1 | 2 | 2 |
| mol965 | C[Si](C)(C)CNC1CCCCC1 | 2 | 2 |
| mol966 | N=C1CCCCC1 | 2 | 2 |
| mol967 | CN=C1CCCCC1 | 2 | 2 |
| mol968 | N[C@@H]1C=CCCC1 | 2 | 2 |
| mol969 | CC1=CCCC[C@@H]1N | 2 | 2 |
| mol970 | CC(C)Oc1cccc(C(=O)O)c1 | 2 | 2 |
| mol971 | Nc1ccccc1 | 2 | 2 |
| mol972 | CC(=O)c1ccccc1N | 2 | 2 |
| mol973 | CC(=O)c1cccc(N)c1 | 2 | 2 |
| mol974 | CC(=O)c1ccc(N)cc1 | 2 | 2 |
| mol975 | CC(C)Oc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol976 | Nc1ccc(C(=O)c2ccccc2)cc1 | 2 | 2 |
| mol977 | Nc1ccccc1Br | 2 | 2 |
| mol978 | Nc1cccc(Br)c1 | 2 | 2 |
| mol979 | Nc1ccc(Br)cc1 | 2 | 2 |
| mol980 | CC(C)(C)Nc1ccc(Br)cc1 | 2 | 2 |