Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12201 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O 2 2
mol12202 C[C@]12CC[C@@H]3c4ccc(O)cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O 2 2
mol12203 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O 2 2
mol12204 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 2 2
mol12205 CCCCCC=CCC=CCCCCCCCC(=O)O 2 2
mol12206 O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)O 2 2
mol12207 O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO 2 2
mol12208 N#CC1C(=O)NC(=O)C1(Cc1ccccc1)c1ccccc1 2 3
mol12209 Oc1ccc(N=Nc2cc(-c3ccccc3)ccc2O)c(O)c1 4 8
mol12210 Cc1ccccc1N=Nc1cc(C(=O)O)c(O)c2ccccc12 2 2
mol12211 Cc1cccc(N=Nc2cc(C(=O)O)c(O)c3ccccc23)c1 2 2
mol12212 Cc1ccc(N=Nc2cc(C(=O)O)c(O)c3ccccc23)cc1 2 2
mol12213 COc1ccc(N=Nc2cc(C(=O)O)c(O)c3ccccc23)cc1 2 2
mol12214 O=C(O)C1C(=O)NC(=O)C1(Cc1ccccc1)c1ccccc1 0 0
mol12215 NC(=O)C1C(=O)NC(=O)C1(Cc1ccccc1)c1ccccc1 0 0
mol12216 CN(C)c1ccc(CC2C(=O)c3ccccc3C2=O)cc1 0 0
mol12217 O=C1CC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1 2 2
mol12218 C[N+](C)(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1 0 0
mol12219 CC(C)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2 2
mol12220 CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)O)cc1 2 2