| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7821 | C1CN[C@H]2CCCN[C@H]2C1 | 3 | 3 |
| mol7822 | O=[N+]([O-])c1cnc2cccnc2c1 | 2 | 3 |
| mol7823 | c1cnc2c(c1)NCCC2 | 3 | 4 |
| mol7824 | C1CN[C@@H]2CCNC[C@H]2C1 | 3 | 4 |
| mol7825 | O=[N+]([O-])c1cncc2cccnc12 | 0 | 0 |
| mol7826 | c1cc2c(cn1)CCCN2 | 2 | 3 |
| mol7827 | C1CNC2CNCCC2C1 | 3 | 4 |
| mol7828 | c1cc2c(cn1)NCCC2 | 3 | 4 |
| mol7829 | c1cnc2c(c1)CCNC2 | 3 | 3 |
| mol7830 | C1CNC2NCCCC2C1 | 3 | 3 |
| mol7831 | c1cnc2c(c1)CCCN2 | 2 | 3 |
| mol7832 | NNc1nncc2ccccc12 | 3 | 8 |
| mol7833 | Cc1cc(O)nc2c1CCCO2 | 2 | 2 |
| mol7834 | COc1cc(C)c2c(n1)OCCC2 | 2 | 2 |
| mol7835 | Cc1cc(=O)n(C)c2c1CCCO2 | 0 | 0 |
| mol7836 | O=C1CC(=O)N2CCCCC2=N1 | 3 | 3 |
| mol7837 | COc1cccc2nc(N)ncc12 | 2 | 4 |
| mol7838 | COc1ccc2nc(N)ncc2c1 | 2 | 4 |
| mol7839 | COc1ccc2cnc(N)nc2c1 | 2 | 4 |
| mol7840 | COc1cccc2cnc(N)nc12 | 2 | 4 |