aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42191 | 1.63 | 216.2 | C10H8O2N4 | Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 |
|
AD42192 | 2.38 | 223.62 | C10H6O2N3Cl | Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] |
|
AD42193 | 2.38 | 233.2 | C11H8O2N3F | Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 |
|
AD42194 | 0.48 | 318.27 | C13H12O5N5 | CCOC(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])c1 |
|
AD42195 | -0.7 | 330.39 | C13H20O5N3S | O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCO)CC1 |
|
AD42196 | 0.35 | 320.35 | C16H20O5N2 | Cc1cc(=O)oc2cc(O)c(CN(C)CC(=O)NCCO)cc12 |
|
AD42197 | 2.2 | 307.36 | C12H9O3N3S2 | O=S(=O)(Nc1ccc(O)cc1)c1cccc2nsnc12 |
|
AD42198 | 2.31 | 307.36 | C12H9O3N3S2 | O=S(=O)(Nc1ccc(S)cc1)c1cccc2nonc12 |
|
AD42199 | 1.77 | 298.41 | C11H10O2N2S3 | O=C(CN1C(=O)CSC1=S)Nc1ccc(S)cc1 |
|
AD42200 | -0.57 | 219.2 | C10H9O3N3 | Cn1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1=O |