aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39461 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1cccc2nncn12 |
|
AD39462 | 0.21 | 285.1 | C9H9O2N4Br | O=C(NCCO)c1nnc2cc(Br)ccn12 |
|
AD39463 | 2.48 | 282.14 | C11H12ON3Br | CC(C)n1ncc2c(C(N)=O)cc(Br)cc21 |
|
AD39464 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1cn2ccnc2cn1 |
|
AD39465 | 0.51 | 283.29 | C14H13O2N5 | O=C(NCCO)c1ccc2nnc(-c3cccnc3)n2c1 |
|
AD39466 | 1.97 | 285.33 | C13H11ON5S | Cc1nccn2c(C(=O)Nc3ccc(S)cc3)nnc12 |
|
AD39467 | 0.35 | 290.32 | C14H18O3N4 | O=C(NCCO)c1ccn2c(C3CCOCC3)nnc2c1 |
|
AD39468 | 1.11 | 314.37 | C15H20ON7 | O=C(N1CCCCC1)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD39469 | 1.11 | 296.12 | C11H10O2N3Br | O=C(NCCO)c1cnc2cc(Br)cnc2c1 |
|
AD39470 | 1.47 | 301.37 | C15H21ON6 | CC(C)(C)CC(=O)N1CCN(c2ncnc3c2N=C[N]3)CC1 |