aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09511 | 0.69 | 166.14 | C7H6O3N2 | NC(=O)c1ccc([N+](=O)[O-])cc1 |
|
AD09512 | 0.56 | 346.34 | C18H18O7 | O=C(C=Cc1ccc(O)cc1)OCC12OC1C(O)C1C=COC(O)C12 |
|
AD09513 | 0.7 | 235.23 | C9H11O2N6 | CC(C)NC(=O)N(O)c1ncnc2c1N=C[N]2 |
|
AD09514 | -0.97 | 176.16 | C6H6N7 | N=c1nc(N)c2c(c(N)n1)N=C[N]2 |
|
AD09515 | 9.24 | 692.78 | C39H54O3N3Br | CC1(C)CCC2(C(=O)OCc3cn(-c4cccc(Br)c4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD09516 | 8.61 | 631.88 | C39H54O3N3F | CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4F)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD09517 | -4.64 | 1187.43 | C49H78O11N20S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD09518 | 3.21 | 245.27 | C15H9N4 | C1=Nc2c(ncnc2-c2ccc3ccccc3c2)[N]1 |
|
AD09519 | 0.88 | 244.26 | C9H6N7S | Nc1ncnc2c1N=C(Sc1ncccn1)[N]2 |
|
AD09520 | -0.68 | 126.11 | C5H6O2N2 | Cc1c[nH]c(=O)c[n+]1[O-] |