aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35301 | 0.45 | 156.12 | C4H13O4P | CCCO[PH](O)(O)OC |
|
AD35302 | 1.82 | 226.32 | C13H22O3 | CC(=O)CCC1=C(C)C(O)C(O)CC1(C)C |
|
AD35303 | 0.85 | 250.12 | C6H8ON3SBr | CSc1nc(N)c(Br)c(=O)n1C |
|
AD35304 | 2.19 | 228.71 | C9H9N4ClS | CCSCn1cnc2c(Cl)ncnc21 |
|
AD35305 | 1.71 | 254.07 | C8H6ON4Br | CC(=O)Nc1cc2c(c(Br)n1)N=C[N]2 |
|
AD35306 | 1.92 | 216.19 | C12H8O4 | O=C1OCc2cc3cccc(O)c3c(O)c21 |
|
AD35307 | 0.41 | 237.28 | C12H17O3N2 | Cc1ccccc1NC(=O)CCC([NH3+])C(=O)O |
|
AD35308 | 1.52 | 251.7 | C11H12N6Cl | Nc1nc2c(c(N3CCCCC3)n1)N=C(Cl)[N]2 |
|
AD35309 | 2.26 | 240.36 | C9H12N4S2 | CCSCn1cnc2c(SC)ncnc21 |
|
AD35310 | 1.72 | 255.26 | C12H11ON6 | COc1ccc(Nc2nc(N)nc3c2N=C[N]3)cc1 |