aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05421 | 1.09 | 170.6 | C8H7ON2Cl | CNC(=O)c1cnccc1Cl |
|
AD05422 | 1.65 | 238.27 | C13H12N5 | Nc1ncnc2c1C(CCc1ccccc1)=N[N]2 |
|
AD05423 | 1.92 | 407.48 | C16H17O4N5S2 | CNC(S)=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 |
|
AD05424 | 0.35 | 224.27 | C8H10ON5S | COCCSC1=N[N]c2ncnc(N)c21 |
|
AD05425 | 0.19 | 511.44 | C21H25O12N3 | Cc1cc(O)cc(O)c1C(=O)OC1COC2(OC3COC(O)C(OCCN=[N+]=[N-])C3O2)C2OCOC12 |
|
AD05426 | -3.49 | 408.54 | C18H40O6N4 | CN(CCCCN(C)CC(O)COC1C(O)C(N)CC(N)C1O)CC(O)CO |
|
AD05427 | 7.95 | 657.9 | C39H55O4N5 | CC1(C)CCC2(C(=O)NCc3cn(-c4ccccc4[N+](=O)[O-])nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD05428 | 0.18 | 1311.54 | C58H111O25N6F | NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O |
|
AD05429 | -0.02 | 148.15 | C6H6N5 | NNc1ncnc2c1C=C[N]2 |
|
AD05430 | 3.37 | 239.11 | C13H8N2Cl2 | Clc1ccc(Cc2ccccc2Cl)nn1 |