Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol2021 CCCCc1ccc([C@@H](O)C(=O)O)cc1 2 2
mol2022 CCCc1ccc(O)c(CCC)c1 2 2
mol2023 C[N+](C)(C)c1cccc(CCC(=O)O)c1 2 2
mol2024 C[N+](C)(C)c1ccc(CCC(=O)O)cc1 2 2
mol2025 COC(=O)[C@@](C)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2 2
mol2026 Oc1c(/N=N/c2nccs2)ccc2ccccc12 2 2
mol2027 CC(C)(C)c1ccc(O)c(C(C)(C)C)c1 2 2
mol2028 CC(C)(C)c1cccc(C(C)(C)C)c1O 2 2
mol2029 Oc1c(/N=N/c2ccccn2)ccc2ccccc12 2 2
mol2030 O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(O)c1ccccc1 2 2
mol2031 O=C(c1ccccc1C(F)(F)F)N(O)c1ccccc1 2 2
mol2032 Oc1ccc2ccccc2c1/N=N/c1ccccn1 2 2
mol2033 CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2 2
mol2034 CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O 2 2
mol2035 [H]/N=C(/C)N 2 0
mol2036 CCO[Si](C)(CN)OCC 2 2
mol2037 CC(C)(O)CN 2 2
mol2038 CC(C)(N)CO 2 2
mol2039 CC(C)(C)N 2 2
mol2040 C[Si](C)(C)CCCN 2 2