Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol31001 Oc1ccc(Br)cc1/C=C/CC/C=C/c1cc(Br)ccc1O 0 0
mol31002 O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21 2 2
mol31003 O=[N+]([O-])c1cc(C(c2ccc(O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1O 0 0
mol31004 O=C(O)c1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)ccc1O 2 2
mol31005 Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 0 0
mol31006 Oc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F 2 2
mol31007 Cc1ccc(/N=N/c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(C)c1 2 2
mol31008 O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2c(F)c(F)c(F)c(F)c21 2 2
mol31009 OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 2 5
mol31010 COc1cc(S(=O)(=O)O)c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)O)ccc12 2 2
mol31011 CC(C)(C)c1cc(Br)cc(-c2cc(Br)cc(C(C)(C)C)c2O)c1O 0 0
mol31012 O=S1(=O)OC(c2ccc(O)c3ccccc23)(c2ccc(O)c3ccccc23)c2ccccc21 2 2
mol31013 CC1=C/C(=C(\c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O 2 2
mol31014 CC1=CC(C(c2ccccc2)c2cc(C)c(O)c(Br)c2)C=C(Br)C1=O 2 3
mol31015 Oc1ccc(Br)cc1/C=C/CCNCC/C=C/c1cc(Br)ccc1O 0 0
mol31016 Cc1cc([C+](c2cc(C(C)C)c(O)cc2C)c2ccccc2S(=O)(=O)O)c(C)cc1O 0 0
mol31017 Cc1cc(O)c(C(C)C)cc1C1(c2cc(C)c(O)c(C(C)C)c2)OS(=O)(=O)c2ccccc21 2 3
mol31018 CC1=CC(=O)C(C(C)C)=C/C1=C(/c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)O 2 2
mol31019 O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 2 2
mol31020 O=C(O)c1nn(-c2ccc(S(=O)OO)cc2)c(O)c1/N=N/c1ccc(S(=O)OO)cc1 2 2