Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol31041 Oc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1 2 2
mol31042 O=S1(=O)OC2(c3ccccc31)c1cc(Br)c(O)c(O)c1Oc1c2cc(Br)c(O)c1O 5 10
mol31043 CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 2 2
mol31044 CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)OS(=O)(=O)c3cc(S(=O)(=O)O)c(O)cc32)cc1 2 3
mol31045 Cc1c(C2(c3cc(Br)c(O)c(C)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1C 2 2
mol31046 O=S1(=O)OC(c2cc(Cl)c(O)c(Br)c2)(c2cc(Cl)c(O)c(Br)c2)c2ccccc21 2 2
mol31047 O=S(=O)(OCC(F)(F)F)c1cc(S(=O)(=O)OCC(F)(F)F)c(O)c(S(=O)(=O)OCC(F)(F)F)c1 0 0
mol31048 CC(=O)c1cc2c(O)c(c1)Cc1cc(C(C)=O)cc(c1O)Cc1cc(C(C)=O)cc(c1O)Cc1cc(C(C)=O)cc(c1O)C2 3 4
mol31049 O=[N+]([O-])c1cc2c(O)c(c1)Cc1cc([N+](=O)[O-])cc(c1O)Cc1cc([N+](=O)[O-])cc(c1O)Cc1cc([N+](=O)[O-])cc(c1O)C2 4 5
mol31050 O=S1(=O)OC(c2ccc(O)c(I)c2)(c2ccc(O)c(I)c2)c2ccccc21 2 2
mol31051 Cc1cc(C2(c3cc(C(C)C)c(Br)c(O)c3C)OS(=O)(=O)c3ccccc32)c(C(C)C)c(Br)c1O 0 0
mol31052 O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1OC1C(Br)=C(O)C(Br)=CC12 2 2
mol31053 CCOC(=O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12 2 2
mol31054 O=S(=O)(OCC(F)(F)C(F)F)c1cc(S(=O)(=O)OCC(F)(F)C(F)F)c(O)c(S(=O)(=O)OCC(F)(F)C(F)F)c1 0 0
mol31055 CC1=C(Br)C(O)C(Br)=CC1C1(c2cc(Br)c(O)c(Br)c2C)OS(=O)(=O)c2ccccc21 2 2
mol31056 CC1=C(Br)C(=O)C(Br)=C/C1=C(\c1ccccc1S(=O)(=O)O)c1cc(Br)c(O)c(Br)c1C 3 4
mol31057 Cc1cc(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(Br)c(O)c1Br 2 3
mol31058 O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2 0 0
mol31059 O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I 2 2
mol31060 C=CO 0 0