aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42101 | -0.97 | 165.22 | C8H13N4 | Cc1cnc(N)nc1C1C[NH2+]C1 |
|
AD42102 | -1.32 | 151.19 | C7H11N4 | Nc1cc2c(nn1)CC[NH2+]C2 |
|
AD42103 | -1.28 | 151.19 | C7H11N4 | Nc1cc(C2C[NH2+]C2)ncn1 |
|
AD42104 | -1.8 | 211.24 | C9H15O2N4 | CCC1(Nc2c[nH]c(=O)[nH]c2=O)C[NH2+]C1 |
|
AD42105 | -2.38 | 199.23 | C8H15O2N4 | C[NH+](C)CCNc1c[nH]c(=O)[nH]c1=O |
|
AD42106 | -0.97 | 225.27 | C10H17O2N4 | [NH3+]C1CCCC(Nc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD42107 | -1.8 | 211.24 | C9H15O2N4 | CC1[NH2+]CCC1Nc1c[nH]c(=O)[nH]c1=O |
|
AD42108 | -1.85 | 229.23 | C9H14O2N4F | O=c1[nH]cc(NCC2CC(F)C[NH2+]2)c(=O)[nH]1 |
|
AD42109 | -1.55 | 225.27 | C10H17O2N4 | CC1CC(CNc2c[nH]c(=O)[nH]c2=O)C[NH2+]1 |
|
AD42110 | -1.27 | 237.28 | C11H17O2N4 | O=c1[nH]cc(NC23CCCC2[NH2+]CC3)c(=O)[nH]1 |