aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31141 | -0.24 | 189.18 | C8H7ON5 | NC(=O)c1cn(-c2cnccn2)cn1 |
|
AD31142 | -0.59 | 221.28 | C8H15O4NS | O=C1CCC(S(=O)(=O)NCCO)CC1 |
|
AD31143 | 0.9 | 224.17 | C8H7O2N5F | O=C(Nc1ncnc2c1N=C[N]2)OCCF |
|
AD31144 | 0.28 | 209.23 | C8H7O2N3S | NS(=O)(=O)c1cccc2nccnc12 |
|
AD31145 | 0.88 | 192.0 | C7H3ON3Cl2 | NC(=O)c1ncnc(Cl)c1Cl |
|
AD31146 | -0.19 | 225.23 | C9H13O3N4 | CCC(C)OC(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD31147 | 1.0 | 207.05 | C4H3ON2SBr | NC(=O)c1ncc(Br)s1 |
|
AD31148 | 0.96 | 193.2 | C10H11O3N | CCOC(=O)c1ccc(C(N)=O)cc1 |
|
AD31149 | -0.58 | 210.23 | C10H14O3N2 | Cc1cc(C(=O)NCCO)cn(C)c1=O |
|
AD31150 | 1.46 | 199.27 | C9H13O2NS | CC(C)c1cccc(S(N)(=O)=O)c1 |