aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40191 | 0.48 | 308.39 | C17H20N6 | C[NH+](C)C1(CNc2ncnc3c2N=C[N]3)Cc2ccccc2C1 |
|
AD40192 | 0.03 | 302.38 | C15H22ON6 | C1=Nc2c(ncnc2NCC2([NH+]3CCCC3)CCOCC2)[N]1 |
|
AD40193 | 0.42 | 316.41 | C16H24ON6 | C1=Nc2c(ncnc2NCC2([NH+]3CCCCC3)CCOCC2)[N]1 |
|
AD40194 | -0.02 | 304.42 | C14H20N6S | CSC1CN(c2ncnc3c2N=C[N]3)CC1[NH+]1CCCC1 |
|
AD40195 | 0.49 | 309.17 | C11H13N6Br | C[NH+]1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1 |
|
AD40196 | -0.87 | 292.4 | C16H26O2N3 | CC[NH+]1CCN(Cc2ccc(C(=O)NCCO)cc2)CC1 |
|
AD40197 | -0.26 | 305.41 | C13H19N7S | S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2 |
|
AD40198 | 0.05 | 304.42 | C14H20N6S | S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1C=C[N]2 |
|
AD40199 | -1.29 | 191.19 | C8H9ON5 | C1=Nc2c(ncnc2OC2C[NH2+]C2)[N]1 |
|
AD40200 | -0.01 | 307.43 | C13H21N7S | CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1N=C[N]2 |