Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol11881 COC(=O)CC(C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2 2
mol11882 COC(=O)C(C)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2 2
mol11883 CCC(CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1 2 2
mol11884 O=C(O)CCSC(SCCC(=O)O)c1ccccc1 3 3
mol11885 CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nccnc21 2 6
mol11886 NC(=O)NCCCC(NC(=O)c1ccccc1)C(=O)O 2 2
mol11887 N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O 2 2
mol11888 CCN(CC)CCOc1ccccc1C(=O)NO 2 3
mol11889 C=C(C)CC1(CC(C)CC)C(=O)NC(=O)NC1=O 2 2
mol11890 CN(C)Cc1c(O)c(O)c(O)c(CN(C)C)c1C(=O)O 2 2
mol11891 CN(C)Cc1cc(C(C)(C)C)ccc1O 3 4
mol11892 Cc1cc(CN(C)C)c(O)c(CN(C)C)c1 2 2
mol11893 COc1cc(CN(C)C)c(O)c(CN(C)C)c1 2 2
mol11894 CC1=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C(Cl)C1=O 0 0
mol11895 O=C(O)c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 0 0
mol11896 Oc1c(N=Nc2nccs2)ccc2ccccc12 4 7
mol11897 Oc1ccc2ccccc2c1N=Nc1nccs1 2 2
mol11898 Cc1cc(O)ccc1N=C1C=C(Cl)C(=O)C(Cl)=C1 0 0
mol11899 CC1=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=CC1=O 0 0
mol11900 CC1=CC(=Nc2cc(Br)c(O)c(Br)c2)C=CC1=O 0 0