Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol13861 CC(O)[C@@H]1C[C@H](CC(=O)O)C1(C)C 2 2
mol13862 CC1=C(C)C(=C(C)C(=O)O)CC1=O 2 2
mol13863 CC1=C(C)C(C(C)C(=O)O)CC1=O 2 2
mol13864 N#CC(C#N)=NNc1ccccc1 3 4
mol13865 CNCC(=O)NCCc1c[nH]cn1 3 4
mol13866 NCCC(=O)NCCc1c[nH]cn1 3 4
mol13867 NC(=O)c1c(CC(=O)O)n[nH]c1N 2 3
mol13868 NC[C@@H](O)[C@H]1NC(N)=N[C@@H]1C(=O)O 5 10
mol13869 CC(=O)Nc1nnc(S(N)(=O)=O)s1 3 3
mol13870 CN(C)C1CC(C)(C)NC(C)(C)C1 3 4
mol13871 CCN(CC)[C@H]1CCC[C@@H]1N(C)C 3 4
mol13872 FC(F)(F)c1cc(C(F)(F)F)[nH]n1 2 2
mol13873 N#CC(C#N)Cc1ccc(Cl)cc1 2 2
mol13874 O=C(O)CCC1NC(=O)CNC1=O 2 2
mol13875 O=[N+]([O-])Cc1ccc([N+](=O)[O-])cc1 0 0
mol13876 O=[N+]([O-])Cc1cccc([N+](=O)[O-])c1 0 0
mol13877 O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1 2 2
mol13878 Nc1ccc(B(O)O)c([N+](=O)[O-])c1 0 0
mol13879 Nc1ccc([N+](=O)[O-])c(B(O)O)c1 0 0
mol13880 CCCC(=O)c1cc(C(C)=O)n[nH]1 2 2