aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42121 | 0.37 | 356.17 | C11H13N6I | C[NH+]1CCC(=Nc2nc(I)nc3c2N=C[N]3)CC1 |
|
AD42122 | -0.79 | 204.24 | C9H12N6 | [NH3+]C1CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD42123 | -1.45 | 222.23 | C9H12O2N5 | CC([NH3+])c1ccn(-c2c[nH]c(=O)[nH]c2=O)n1 |
|
AD42124 | -1.4 | 207.21 | C9H11O2N4 | [NH3+]Cc1ccn(-c2c[nH]c(=O)[nH]c2=O)c1 |
|
AD42125 | -0.9 | 205.22 | C9H11ON5 | C1=Nc2c(ncnc2OC2CC[NH2+]C2)[N]1 |
|
AD42126 | -0.9 | 205.22 | C9H11ON5 | CC1[NH2+]CC1Oc1ncnc2c1N=C[N]2 |
|
AD42127 | -0.55 | 346.47 | C15H28O4N3S | CC(C)(C)OC(=O)N1CC([NH2+]CCO)CC1C(=O)N1CCSC1 |
|
AD42128 | -1.48 | 213.26 | C9H17O2N4 | CN(c1c[nH]c(=O)[nH]c1=O)C(C)(C)C[NH3+] |
|
AD42129 | -2.38 | 211.24 | C9H15O2N4 | C[NH+]1CC(CNc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD42130 | -2.17 | 241.27 | C10H17O3N4 | CC(Nc1c[nH]c(=O)[nH]c1=O)C1C[NH2+]CCO1 |