Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol27021 C[n+]1ccc(CC(=O)c2cccc(Cl)c2)cc1 0 0
mol27022 C[n+]1ccc(C(=O)Cc2ccc(Cl)cc2)cc1 0 0
mol27023 C[n+]1cccc(C(=O)Cc2ccc(Cl)cc2)c1 0 0
mol27024 Cc1ccc(C(=O)C[n+]2ccc(Cl)cc2)cc1 0 0
mol27025 C[n+]1ccc(CC(=O)c2ccc(Cl)cc2)cc1 0 0
mol27026 O=C(Cc1ccc2ccccc2n1)c1ccccc1 0 0
mol27027 O=C(/C=C1\C=Cc2ccccc2N1)c1ccccc1 0 0
mol27028 O=C(/C=C1\C=CNc2ccccc21)c1ccccc1 2 3
mol27029 O=C(Cc1ccnc2ccccc12)c1ccccc1 0 0
mol27030 O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 0 0
mol27031 CC1(C)CC(=O)C(NC(=O)C(F)(F)F)C(=O)C1 2 3
mol27032 CC1(C)CC(=O)C(NC(=O)C(F)(F)F)=C(O)C1 2 2
mol27033 COc1cc[n+](CC(=O)c2ccc(C#N)cc2)cc1 0 0
mol27034 CC[S+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 0 0
mol27035 CC(C)(C)c1ccc(C(=O)C[n+]2ccccc2)cc1 0 0
mol27036 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)c1ccccc1 2 2
mol27037 N#Cc1ccc(C(=O)C[n+]2ccc(Cl)cc2)cc1 0 0
mol27038 C[n+]1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 0 0
mol27039 C[n+]1ccc(C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 0 0
mol27040 C[n+]1cccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 0 0