aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31461 | 1.23 | 191.19 | C9H9O2N3 | COC(=O)n1ccc2ccc(N)nc21 |
|
AD31462 | 0.7 | 191.19 | C9H9O2N3 | COC(=O)c1cc(N)c2nccn2c1 |
|
AD31463 | 0.86 | 189.22 | C9H11N5 | Cc1c(N)nnc(-n2ccnc2)c1C |
|
AD31464 | 1.28 | 188.23 | C10H12N4 | CN(C)c1nc(N)nc2ccccc12 |
|
AD31465 | 1.28 | 190.21 | C9H10ON4 | CCc1noc(-c2ccnc(N)c2)n1 |
|
AD31466 | 1.36 | 200.62 | C9H9O2N2Cl | Nc1nc(Cl)ccc1C1OCCO1 |
|
AD31467 | 0.94 | 189.17 | C9H7O2N3 | Nc1ncnc2cc3c(cc12)OCO3 |
|
AD31468 | 0.9 | 191.23 | C10H13ON3 | Nc1ccc(C(=O)N2CCCC2)cn1 |
|
AD31469 | 1.16 | 194.23 | C10H14O2N2 | CCOC(=O)CCc1cccnc1N |
|
AD31470 | 1.01 | 195.22 | C9H13O2N3 | CC(C)(C)OC(=O)c1cnc(N)cn1 |