Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12041 O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1)CC(=O)O 5 13
mol12042 CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O 2 2
mol12043 CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 2 5
mol12044 CCC=CC(C(=O)O)=C(C)C1CNC(C(=O)O)C1CC(=O)O 0 0
mol12045 CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O 2 2
mol12046 C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1 2 4
mol12047 CCCCCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O 2 2
mol12048 O=C1C(Cl)=CC(=Nc2ccc(O)c3ncccc23)C=C1Cl 0 0
mol12049 O=C1C(Br)=CC(=Nc2ccc(O)c3ncccc23)C=C1Br 0 0
mol12050 O=C(O)C=Cc1cc(N=C2C=C(Cl)C(=O)C(Cl)=C2)ccc1O 0 0
mol12051 O=C(O)C=Cc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)ccc1O 0 0
mol12052 Oc1ccc(N=Nc2nc(-c3ccccc3)cs2)c(O)c1 3 4
mol12053 NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1 2 3
mol12054 C(=Cc1nccc2ccsc12)c1ccccc1 2 2
mol12055 CC(=O)N(c1c(C)cccc1C)N1CCN(C)CC1 3 3
mol12056 CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C 2 2
mol12057 CCCCCCCCCC[N+](C)(C)C(C)C(=O)O 2 2
mol12058 O=C1c2ccccc2C(=O)C1Cc1ccccc1 2 2
mol12059 Oc1ccccc1-c1cc2ccccc2cc1O 2 3
mol12060 COc1ccccc1C1C(=O)c2ccccc2C1=O 0 0