aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05091 | 0.55 | 183.58 | C7H4ON4Cl | Nc1nc(O)c2c(n1)[N]C(Cl)=C2 |
|
AD05092 | 2.86 | 546.52 | C26H33O5N3Cl2S | CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCN)cc2)C1 |
|
AD05093 | 2.86 | 546.52 | C26H33O5N3Cl2S | CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1 |
|
AD05094 | 2.46 | 313.14 | C13H7N5Br | N#CC1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21 |
|
AD05095 | 1.26 | 247.21 | C11H9O4N3 | O=c1nc(OCc2ccccc2[N+](=O)[O-])cc[nH]1 |
|
AD05096 | 3.84 | 454.56 | C27H34O6 | CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)OC=CC3=O)C(O)CC12C |
|
AD05097 | 1.25 | 426.56 | C4H7O10P4ClS2 | COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC |
|
AD05098 | 8.64 | 719.04 | C37H67O7PS2 | CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCOCCOCCOCCOP(O)(=S)OCCS)CCC4(C)C3CCC12C |
|
AD05099 | 1.4 | 246.27 | C12H14O2N4 | Cc1ccc(Cn2cc(CNC(=O)O)nn2)cc1 |
|
AD05100 | 5.77 | 507.69 | C26H54O6NP | CCCCCCCCCCCCCCCCOCCCOP(=O)(CCN1CC(O)C(O)C1)OC |