Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol34622 COc1ccc(/C=C/C(O)=C(C(C)=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 2 2
mol34623 COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 2 4
mol34624 COc1ccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1 2 2
mol34625 COc1ccc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC 2 2
mol34626 COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1OC 2 3
mol34627 COc1ccc(/C=N/Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)cc1OC 2 2
mol34628 COc1ccc(/C=N/Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 2 2
mol34629 COc1ccc2c(c1)CCC(O)=C2 0 0
mol34630 COc1ccc2c(c1OC)C(O)N1CCc3cc4c(cc3C1=C2)OCO4 0 0
mol34631 COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 2 2
mol34632 COc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2 3 3
mol34633 COc1ccc2c(c1)S(=O)(=O)N=C(NC(C)C)N2 2 2
mol34634 COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@@H]2CC(=O)O 2 3
mol34635 COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O 2 3
mol34636 COc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1 2 2
mol34637 COc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1 2 6
mol34638 COc1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1 2 4
mol34639 COc1ccc2[nH]c(-c3ccc(C#N)cc3NS(=O)(=O)c3ccc(OCC(=O)O)cc3)nc2c1 2 2
mol34640 COc1ccc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(OCC(=O)O)cc3)nc2c1 2 3
mol34641 C1COC(CN2CCOCCOCCN(CC3CCCO3)CCOCCOCC2)C1 2 2