Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol31301 COc1cc(/C=C/C(=O)c2ccc(O)c(=O)cc2)cc(OC)c1OC 2 2
mol31302 [2H][O+]([2H])C(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 0 0
mol31303 O=c1cc(Br)c(O)c(Br)cc1Br 2 2
mol31304 COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C1=C(O)OC 0 0
mol31305 O=S(=O)(N[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F 0 0
mol31306 COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2 2 2
mol31307 OC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F 2 2
mol31308 OC1(C(F)(F)F)C2OC3OC1C(O)(C(F)(F)F)C(O3)C2(O)C(F)(F)F 2 2
mol31309 OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 0 0
mol31310 CC(O)(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2 2
mol31311 OC(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 2 2
mol31312 CC1(C)O[C@@H](C(O)(C(F)(F)F)C(F)(F)F)[C@H](C(O)(C(F)(F)F)C(F)(F)F)O1 0 0
mol31313 CC1(C)OCC(C2OC(=O)C(O)=C2OP(=O)(N2CCOCC2)N2CCOCC2)O1 2 2
mol31314 CCCCCCCCNC(O)=C1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC 0 0
mol31315 CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1 0 0
mol31316 O=S(=O)(N[C@H](c1ccccc1)[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1)C(F)(F)F 0 0
mol31317 CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(S)(c2ccccc2)c2ccccc2)O1 0 0
mol31318 CC1(C)O[C@@H]2[C@@H](O1)C(c1ccccc1)(c1ccccc1)OP(=O)(O)OC2(c1ccccc1)c1ccccc1 0 0
mol31319 OC(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 0 0
mol31320 OC(c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 2 2