| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol4821 | Cc1ncc2ncc(O)nc2n1 | 3 | 6 |
| mol4822 | CNc1nc(O)c2nccnc2n1 | 3 | 7 |
| mol4823 | COc1ncc2nccnc2n1 | 2 | 5 |
| mol4824 | COc1ncnc2nccnc12 | 2 | 5 |
| mol4825 | COc1cnc2ncncc2n1 | 2 | 5 |
| mol4826 | COc1cnc2cncnc2n1 | 2 | 5 |
| mol4827 | Cc1ncc2nccnc2n1 | 2 | 5 |
| mol4828 | Cc1ncnc2nccnc12 | 2 | 5 |
| mol4829 | Cc1cnc2cncnc2n1 | 2 | 5 |
| mol4830 | CNc1ncc2nccnc2n1 | 2 | 6 |
| mol4831 | CNc1ncnc2nccnc12 | 2 | 6 |
| mol4832 | CSc1ncnc2nc(C)cnc12 | 0 | 0 |
| mol4833 | CSc1ncc2nccnc2n1 | 2 | 5 |
| mol4834 | CSc1ncnc2nccnc12 | 2 | 5 |
| mol4835 | CSc1cnc2cncnc2n1 | 2 | 5 |
| mol4836 | c1ncc2c(n1)NCCN2 | 2 | 5 |
| mol4837 | Cn1c(=O)c2nccnc2n(C)c1=O | 0 | 0 |
| mol4838 | Oc1ncc2c(n1)NCCN2 | 3 | 6 |
| mol4839 | Oc1ncnc2c1NCCN2 | 3 | 6 |
| mol4840 | Cn1c(=O)c2ncc(O)nc2n(C)c1=O | 3 | 4 |