aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36111 | 2.85 | 213.28 | C13H15N3 | CC(C)c1ccc(-c2ccc(N)nn2)cc1 |
|
AD36112 | 2.99 | 220.5 | C8H7NClBr | Cc1cc(Br)c(Cl)cc1N |
|
AD36113 | 2.05 | 259.68 | C12H8N6Cl | Clc1ccc(CNc2ncnc3c2N=C[N]3)cn1 |
|
AD36114 | 2.99 | 231.0 | C8H3N2F3Cl2 | Nc1nc(Cl)c(Cl)cc1C(F)(F)F |
|
AD36115 | 2.75 | 214.6 | C10H5N2F2Cl | Nc1cc(Cl)nc2c(F)cc(F)cc12 |
|
AD36116 | 2.39 | 235.67 | C12H10ON3Cl | COc1ccc(-c2cc(Cl)nc(N)n2)cc1 |
|
AD36117 | 1.59 | 232.64 | C10H10O2N2FCl | O=C(NCCO)Nc1cccc(Cl)c1F |
|
AD36118 | 2.94 | 227.29 | C12H9N3S | Nc1nnc(-c2cccs2)c2ccccc12 |
|
AD36119 | 2.69 | 219.68 | C12H10N3Cl | Cc1cc(-c2ccc(N)nn2)ccc1Cl |
|
AD36120 | 2.5 | 221.65 | C11H8ON3Cl | Nc1ccc(Oc2ccc(Cl)cc2)nn1 |