Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol34442 O=C(O)CCN(CN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] 2 4
mol34443 CCOC(=O)C(Cc1ccc(C#N)cc1)C(C)=O 2 2
mol34444 CC(C)CCc1ccc(C(C)C(=O)O)cc1 2 2
mol34445 CN(C)c1ccc(C(O)C(Cl)(Cl)Cl)cc1 2 2
mol34446 CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O 2 2
mol34447 O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 2 2
mol34448 CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)O 2 3
mol34449 CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc(O)cc1C)c1ccccc1S(=O)(=O)O 2 3
mol34450 CC1=C/C(=N\c2ccc(O)cc2)C(C(C)C)=CC1=O 2 2
mol34451 CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@H]1O 2 2
mol34452 CC(C)CC(=O)OC(CNC(C)C)COc1cccc2ccccc12 2 2
mol34453 CC(C)CC(N)P(=O)(O)CCC(=O)O 2 4
mol34454 CC(C)CC(N)P(=O)(O)CCP(=O)(O)O 2 2
mol34455 Cc1ncc(COP(=O)(O)O)c(C=NC(CC(C)C)C(=O)O)c1O 2 7
mol34456 CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O 2 2
mol34457 CC(C)CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 0 0
mol34458 CC(C)CCC1(Br)C(=O)NC(=O)NC1=O 2 2
mol34459 C/C(=C(\CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)nc1N 2 5
mol34460 CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 2 4
mol34461 CC(C)CNC(=O)c1c([O-])ccc[n+]1C 2 3