aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36531 | 0.33 | 273.28 | C12H13O2N6 | CC(C)N1C(=O)CC(Nc2ncnc3c2N=C[N]3)C1=O |
|
AD36532 | -1.63 | 242.26 | C7H10O2N6S | [NH3+]CCS(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD36533 | 0.83 | 273.32 | C13H17ON6 | CCCN1CCCN(c2ncnc3c2N=C[N]3)CC1=O |
|
AD36534 | 0.85 | 283.31 | C10H12ON6FS | COCCCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD36535 | 0.89 | 281.3 | C14H13ON6 | NC(=O)C(Cc1ccccc1)Nc1ncnc2c1N=C[N]2 |
|
AD36536 | 1.74 | 273.03 | C7H4ON3I | Ic1ccc(-c2ncon2)cn1 |
|
AD36537 | 1.55 | 250.32 | C12H14O2N2S | CN(C)c1cccc2c(S(N)(=O)=O)cccc12 |
|
AD36538 | -0.02 | 270.27 | C13H12O2N5 | CN1Cc2c(NC3=C(C(N)=O)N=C[N]3)cccc2C1=O |
|
AD36539 | -0.02 | 270.27 | C13H12O2N5 | CN1Cc2ccc(NC3=C(C(N)=O)N=C[N]3)cc2C1=O |
|
AD36540 | 0.27 | 273.32 | C7H9O2N6S2 | CN(C)S(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |