aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42931 | 2.99 | 316.41 | C15H12O2N2S2 | O=C(Cn1ccc2sccc2c1=O)Nc1ccc(S)cc1 |
|
AD42932 | 0.31 | 134.14 | C6H6N4 | Nc1ccc2nncn2c1 |
|
AD42933 | 0.62 | 151.17 | C7H9ON3 | CC(=O)Nc1ccc(N)nc1 |
|
AD42934 | 0.31 | 134.14 | C6H6N4 | Nc1cccc2nncn12 |
|
AD42935 | 0.5 | 148.17 | C7H8N4 | Nc1ccn2cc(N)nc2c1 |
|
AD42936 | 0.93 | 137.19 | C7H11N3 | CCc1cc(C)nc(N)n1 |
|
AD42937 | 0.53 | 127.12 | C5H6N3F | Nc1ncc(CF)cn1 |
|
AD42938 | 0.72 | 127.17 | C4H5N3S | Nc1ccc(=S)[nH]n1 |
|
AD42939 | 2.29 | 290.1 | C10H6N6Br | Brc1cc(Nc2ncnc3c2N=C[N]3)ccn1 |
|
AD42940 | 0.62 | 123.16 | C6H9N3 | CCc1ccnc(N)n1 |