aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36331 | 0.05 | 260.3 | C13H16O2N4 | O=C(Cc1n[nH]c(Cc2ccccc2)n1)NCCO |
|
AD36332 | 0.28 | 250.3 | C7H10O4N2S2 | CCOC(=O)c1sc(S(N)(=O)=O)nc1C |
|
AD36333 | 0.0 | 283.29 | C10H11O4N4S | COC(=O)CCS(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD36334 | 1.24 | 250.12 | C7H8O2NSBr | NS(=O)(=O)Cc1cccc(Br)c1 |
|
AD36335 | 1.49 | 239.22 | C8H8O2NF3S | NS(=O)(=O)Cc1ccccc1C(F)(F)F |
|
AD36336 | -0.44 | 264.33 | C13H20O2N4 | CN1CCN(c2cncc(C(=O)NCCO)c2)CC1 |
|
AD36337 | 0.28 | 250.32 | C9H18O4N2S | CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)C1 |
|
AD36338 | 0.93 | 289.36 | C14H21ON6 | CC(C)OCCN1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD36339 | 0.77 | 275.34 | C13H19ON6 | CC(CNc1ncnc2c1N=C[N]2)CN1CCOCC1 |
|
AD36340 | -0.71 | 291.4 | C14H25N7 | CN(C)CC[NH+](C)CCCN(C)c1ncnc2c1N=C[N]2 |