| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol25701 | C[n+]1cnc(N)c(N)c1 | 0 | 0 |
| mol25702 | Nc1nccnc1CO | 2 | 5 |
| mol25703 | C[n+]1cnc(N)cc1O | 2 | 4 |
| mol25704 | Cc1cc(O)[n+](C)cn1 | 2 | 3 |
| mol25705 | C[n+]1ccncc1S | 2 | 3 |
| mol25706 | Cc1nc[n+]([O-])cc1O | 0 | 0 |
| mol25707 | Cc1nc[n+](O)cc1O | 0 | 0 |
| mol25708 | Cc1c(O)cnc[n+]1[O-] | 0 | 0 |
| mol25709 | Cc1c(O)cnc[n+]1O | 0 | 0 |
| mol25710 | C[n+]1c(O)ccnc1N | 2 | 4 |
| mol25711 | Cn1c(N)nccc1=O | 0 | 0 |
| mol25712 | NC1=NC(=S)CC=N1 | 2 | 3 |
| mol25713 | C[n+]1ccc(S)cn1 | 2 | 3 |
| mol25714 | C[n+]1ncccc1S | 2 | 2 |
| mol25715 | C[n+]1ccc(S)nc1 | 2 | 2 |
| mol25716 | C[n+]1cnccc1S | 2 | 3 |
| mol25717 | C[n+]1cccnc1S | 2 | 2 |
| mol25718 | CNC(=O)c1ccncn1 | 2 | 3 |
| mol25719 | Cc1cc(N(C)C)ncn1 | 2 | 4 |
| mol25720 | CCc1cnc(N)[n+](C)c1 | 0 | 0 |