| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol7081 | CNc1nc(N)nc(O)c1NC(=O)C(F)(F)F | 4 | 10 |
| mol7082 | Cc1cccc(Sc2cnc(N)nc2O)c1 | 2 | 4 |
| mol7083 | Nc1ncc(Sc2ccccc2)c(O)n1 | 0 | 0 |
| mol7084 | Nc1ncc(I)cn1 | 2 | 3 |
| mol7085 | Nc1nccc(S)n1 | 3 | 6 |
| mol7086 | Nc1cc(S)ncn1 | 3 | 5 |
| mol7087 | CNc1nc(S)nc(C)c1N | 3 | 6 |
| mol7088 | CNc1nc(C)nc(S)c1N | 3 | 6 |
| mol7089 | COc1ccnc(N)n1 | 2 | 4 |
| mol7090 | COc1ncncc1N | 2 | 4 |
| mol7091 | COc1cc(N)nc(C)n1 | 2 | 4 |
| mol7092 | COc1ccc(-c2cnc(N)nc2)cc1 | 2 | 3 |
| mol7093 | Cc1nccc(N)n1 | 2 | 4 |
| mol7094 | CNc1ccnc(N)n1 | 2 | 5 |
| mol7095 | CNc1nc(C)nc(NC)c1N | 2 | 4 |
| mol7096 | CNc1c(C)ncnc1N | 2 | 5 |
| mol7097 | CNc1nc(C)ncc1N | 2 | 5 |
| mol7098 | CNc1ncnc(C)c1N | 2 | 5 |
| mol7099 | CNc1c(C)nc(SC)nc1N | 2 | 5 |
| mol7100 | CNc1nc(C)nc(SC)c1N | 2 | 5 |