aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18731 | -0.23 | 237.27 | C8H9ON6S | CNC(=O)CSC1=Nc2c(N)ncnc2[N]1 |
|
AD18732 | 4.55 | 259.71 | C16H11NFCl | Fc1cccc2[nH]cc(Cc3ccc(Cl)cc3)c12 |
|
AD18733 | 2.17 | 301.31 | C12H9O2N6S | Nc1nc2c(c(SCc3ccccc3[N+](=O)[O-])n1)N=C[N]2 |
|
AD18734 | 2.4 | 274.3 | C12H9N5FS | Nc1nc2c(c(SCc3ccc(F)cc3)n1)N=C[N]2 |
|
AD18735 | 1.23 | 234.25 | C13H14O4 | C=C(CO)C1Oc2ccc(C(C)=O)cc2C1O |
|
AD18736 | -2.55 | 852.1 | C39H73O8N13 | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C1CCCN1CCCN(C)CCC(N)C(=O)O)C(=O)NC(C)C(N)=O |
|
AD18737 | 0.28 | 186.6 | C8H7O2N2Cl | C=C(Cl)c1c[nH]c(=O)n(C)c1=O |
|
AD18738 | 1.38 | 264.27 | C14H10ON5 | COc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD18739 | 1.57 | 210.23 | C11H14O4 | COc1c(O)c(O)cc2c1COC(C)C2 |
|
AD18740 | 2.36 | 296.36 | C15H18N7 | CC1(C)C2CC=C(C=NNc3nc(N)c4c(n3)[N]C=N4)C1C2 |