aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20651 | 0.54 | 182.22 | C9H14O2N2 | CCCCNc1c(NC)c(=O)c1=O |
|
AD20652 | 0.72 | 202.2 | C9H8ON5 | CNC(=O)c1cccc(C2=C[N]N=N2)n1 |
|
AD20653 | 1.08 | 290.28 | C13H14O4N4 | O=c1[nH]ccc(=NOCCCc2cccc([N+](=O)[O-])c2)[nH]1 |
|
AD20654 | 3.09 | 1433.78 | C68H96O16N12S3 | COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)C(CCSC)NC=O)C(C)OC(C)(C)C |
|
AD20655 | -0.13 | 549.08 | C25H31O4N7ClS | CN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)c2nc3c(s2)C[NH+](C)CC3)C1 |
|
AD20656 | 2.76 | 297.39 | C16H21N6 | CC1(C)C2C=C(CCNc3nc(N)c4c(n3)[N]C=N4)CC1C2 |
|
AD20657 | 1.84 | 224.3 | C13H20O3 | CC(=O)C=CC12OC1(C)CC(O)CC2(C)C |
|
AD20658 | 0.8 | 232.06 | C7H8O2N2Br | CCOC(=O)C1=N[N]C(CBr)=C1 |
|
AD20659 | 2.62 | 195.22 | C12H9N3 | c1ccc2c(-c3nc[nH]n3)cccc2c1 |
|
AD20660 | 1.75 | 239.21 | C12H7O2N4 | O=C(O)c1ccc(-c2ncnc3c2N=C[N]3)cc1 |