0 B23R3.8234011 CC(=O)Oc1cc2OC=C(c3cccc[n]3)C(=O)c2cc1 Amb19200825 [0,0,0,0,0,0|2,0,1]=3 1 B23R3.8234011 CC(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb19179558 [0,0,0,0,0,0|1,0,1]=2 2 B23R3.8234011 CC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1286254 [0,0,0,0,0,0|1,0,1]=2 3 B23R3.8234011 CC(C)Oc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb18511693 [0,0,0,0,0,0|0,0,0]=0 4 B23R3.8234011 CC(Oc1ccc2c(c1)occ(c2=O)c3ccccc3)C Amb1265247 [0,0,0,0,0,0|0,0,0]=0 5 B22R3.7531071 CCOc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb18010096 [1,0,0,0,0,0|0,0,0]=1 6 B22R3.7531071 CCOc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1333783 [1,0,0,0,0,0|0,0,0]=1 7 B22R3.7531071 O=C1c2ccc(cc2OC=C1c3cccc[n]3)OC=O Amb18363550 [1,0,0,0,0,0|2,0,1]=4 8 B24R3.51919 CC(=O)Oc1cc2OC(=O)C(c3ccccc3)=C(C)c2cc1 Amb19824794 [0,1,0,0,0,0|2,0,1]=4 9 B24R3.51919 CC(=O)Oc1cc2OC(C)=C(c3cccc[n]3)C(=O)c2cc1 Amb17989017 [0,1,0,0,0,0|2,0,1]=4 10 B24R3.51919 CC(=O)Oc1cc2OC(C)=C(c3ccccc3)C(=O)c2cc1 Amb19532196 [0,1,0,0,0,0|1,0,1]=3 11 B24R3.51919 CC(Oc1ccc2c(c1)oc(c(c2=O)c3ccccc3)C)C Amb1268086 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.51919 CC=1Oc2cc(ccc2C(=O)C1c3ccccc3)OC(C)C Amb19532544 [0,1,0,0,0,0|0,0,0]=1 13 B24R3.11028780 CC(=O)Oc1cc2OC=C(c3ccc(Br)cc3)C(=O)c2cc1 Amb19534984 [0,1,0,0,0,0|1,0,1]=3 14 B24R3.11028780 CC(=O)Oc1cc2OC=C(c3ccc(Cl)cc3)C(=O)c2cc1 Amb18480601 [0,1,0,0,0,0|1,0,1]=3 15 B24R3.11028780 CC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccc(cc3)Br Amb2460934 [0,1,0,0,0,0|1,0,1]=3 16 B24R3.11028780 CC(C)Oc1cc2OC=C(C(=O)c2cc1)c3ccc(F)cc3 Amb19388996 [0,1,0,0,0,0|0,0,0]=1 17 B24R3.11028780 CC(Oc1ccc2c(c1)occ(c2=O)c3ccc(cc3)F)C Amb1205255 [0,1,0,0,0,0|0,0,0]=1 18 B24R3.14677988 CC(=O)Oc1cc2OC=C(c3ccccc3Cl)C(=O)c2cc1 Amb19531517 [0,1,0,0,0,0|1,0,1]=3 19 B24R3.14677988 CC(C)Oc1cc2OC=C(C(=O)c2cc1)c3ccccc3F Amb21866374 [0,1,0,0,0,0|0,0,0]=1 20 B24R3.122667263 CS(=O)(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb19666852 [0,1,0,0,0,0|2,0,0]=3 21 B24R3.122667263 O=c1c(coc2c1ccc(c2)OS(=O)(=O)C)c3ccccc3 Amb2476599 [0,1,0,0,0,0|2,0,0]=3 22 B24R3.122669050 CC(=O)Oc1ccc2c(OC=C(c3ccccc3)C2=O)c1C Amb19532067 [0,1,0,0,0,0|1,0,1]=3 23 B24R3.325334458 CCC(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb18010095 [0,1,0,0,0,0|1,0,1]=3 24 B24R3.325334458 CCC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1280447 [0,1,0,0,0,0|1,0,1]=3 25 B24R3.325334458 COC(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb17998248 [0,1,0,0,0,0|1,0,1]=3 26 B24R3.325334458 COC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1279089 [0,1,0,0,0,0|1,0,1]=3 27 B24R3.11831655 CC(=O)Oc1cc2OC=C(Oc3ccccc3)C(=O)c2cc1 Amb19820254 [0,0,0,0,0,1|1,0,1]=3 28 B24R3.11831655 CC(C)Oc1cc2OC=C(Oc3ccccc3)C(=O)c2cc1 Amb19532260 [0,0,0,0,0,1|0,0,0]=1 29 B24R3.134842178 CC(=C)COc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb19831629 [0,0,0,0,0,1|0,0,2]=3 30 B24R3.134842178 NC(=O)COc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb19171640 [0,0,0,0,0,1|2,0,1]=4 31 B24R3.134842178 OC(=O)COc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb18012720 [0,0,0,0,0,1|2,0,1]=4 32 B21R3.788229 COc1cc2OC=C(C(=O)c2cc1)c3cccc[n]3 Amb19533903 [2,0,0,0,0,0|1,0,0]=3 33 B21R3.788229 COc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb18524206 [2,0,0,0,0,0|0,0,0]=2 34 B21R3.788229 COc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1265184 [2,0,0,0,0,0|0,0,0]=2 35 B23R3.39770 CC(=O)Oc1ccc2C=C(c3ccccc3)C(=O)Oc2c1 Amb19951714 [1,1,0,0,0,0|1,0,1]=4 36 B23R3.11383020 Cc1c2OC=C(C(=O)c2ccc1OCC)c3ccccc3 Amb19532109 [1,1,0,0,0,0|0,0,0]=2 37 B23R3.11383316 CC=1Oc2cc(ccc2C(=O)C1c3ccccc3)OCC Amb19532415 [1,1,0,0,0,0|0,0,0]=2 38 B23R3.11383316 CC=1c2ccc(cc2OC(=O)C1c3ccccc3)OCC Amb19946731 [1,1,0,0,0,0|1,0,0]=3 39 B23R3.11383316 CCOc1ccc2c(c1)oc(c(c2=O)c3ccccc3)C Amb1289456 [1,1,0,0,0,0|0,0,0]=2 40 B23R3.21997938 N#CCOc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb19205053 [1,1,0,0,0,0|0,0,1]=3 41 B23R3.21997938 O=C1c2ccc(cc2OC=C1c3ccccc3)OCCBr Amb19820051 [1,1,0,0,0,0|0,0,0]=2 42 B23R3.21997938 O=C1c2ccc(cc2OC=C1c3ccccc3)OCCCl Amb19894631 [1,1,0,0,0,0|0,0,0]=2 43 B23R3.98332085 CCOc1cc2OC=C(C(=O)c2cc1)c3ccc(Br)cc3 Amb19535508 [1,1,0,0,0,0|0,0,0]=2 44 B23R3.98332085 CCOc1cc2OC=C(C(=O)c2cc1)c3ccc(Cl)cc3 Amb17998826 [1,1,0,0,0,0|0,0,0]=2 45 B23R3.98332085 CCOc1cc2OC=C(C(=O)c2cc1)c3ccc(O)cc3 Amb19132255 [1,1,0,0,0,0|0,0,0]=2 46 B23R3.98332085 CCOc1ccc2c(c1)occ(c2=O)c3ccc(cc3)Cl Amb1344188 [1,1,0,0,0,0|0,0,0]=2 47 B23R3.99231299 CCOc1cc2OC=C(C(=O)c2cc1)c3ccccc3Cl Amb17997552 [1,1,0,0,0,0|0,0,0]=2 48 B25R3.63329 CC(=O)Oc1cc2OC(C)=C(Oc3ccccc3)C(=O)c2cc1 Amb21887038 [0,1,0,0,0,1|1,0,1]=4 49 B25R3.63329 CC=1Oc2cc(ccc2C(=O)C1Oc3ccccc3)OC(C)C Amb19388491 [0,1,0,0,0,1|0,0,0]=2 50 B25R3.63329 CC=1c2ccc(cc2OC(=O)C1Cc3ccccc3)OC(C)C Amb19770063 [0,1,0,0,0,1|1,0,0]=3 51 B25R3.28914868 CC(=O)Oc1cc2OC=C(Oc3ccccc3Br)C(=O)c2cc1 Amb17988483 [0,1,0,0,0,1|1,0,1]=4 52 B25R3.28914868 CC(=O)Oc1cc2OC=C(Oc3ccccc3C)C(=O)c2cc1 Amb21886386 [0,1,0,0,0,1|1,0,1]=4 53 B25R3.28914868 CC(=O)Oc1cc2OC=C(Oc3ccccc3F)C(=O)c2cc1 Amb19532365 [0,1,0,0,0,1|1,0,1]=4 54 B25R3.43355337 CC(=O)Oc1cc2OC=C(Oc3ccc(Br)cc3)C(=O)c2cc1 Amb19820383 [0,1,0,0,0,1|1,0,1]=4 55 B25R3.43355337 CC(=O)Oc1cc2OC=C(Oc3ccc(C)cc3)C(=O)c2cc1 Amb21912995 [0,1,0,0,0,1|1,0,1]=4 56 B25R3.43355337 CC(=O)Oc1cc2OC=C(Oc3ccc(Cl)cc3)C(=O)c2cc1 Amb17976724 [0,1,0,0,0,1|1,0,1]=4 57 B25R3.43355337 CC(=O)Oc1cc2OC=C(Oc3ccc(F)cc3)C(=O)c2cc1 Amb19532234 [0,1,0,0,0,1|1,0,1]=4 58 B25R3.43355337 CC(=O)Oc1cc2OC=C(Oc3ccc(I)cc3)C(=O)c2cc1 Amb17988610 [0,1,0,0,0,1|1,0,1]=4 59 B25R3.43355337 CC(C)Oc1cc2OC=C(Oc3ccc(F)cc3)C(=O)c2cc1 Amb19204425 [0,1,0,0,0,1|0,0,0]=2 60 B25R3.123677505 CC(=O)Oc1cc2OC=C(Oc3cc(C)ccc3)C(=O)c2cc1 Amb21885201 [0,1,0,0,0,1|1,0,1]=4 61 B25R3.142988997 CC(=O)Oc1ccc2c(OC=C(Oc3ccccc3)C2=O)c1C Amb19531842 [0,1,0,0,0,1|1,0,1]=4 62 B25R3.309666425 NCC(=O)Oc1cc2OC=C(Oc3ccccc3)C(=O)c2cc1 Amb21913054 [0,1,0,0,0,1|1,0,1]=4 63 B25R3.309666425 [NH3+]CC(=O)Oc1cc2OC=C(Oc3ccccc3)C(=O)c2cc1 Amb22553457 [0,1,0,0,0,1|1,0,1]=4 64 B25R3.63331 CC=1Oc2cc(ccc2C(=O)C1c3ccccc3)OCC(C)=C Amb20649433 [0,1,0,0,0,1|0,0,2]=4 65 B25R3.13220928 CC(=C)COc1cc2OC=C(C(=O)c2cc1)c3ccc(Br)cc3 Amb19934156 [0,1,0,0,0,1|0,0,2]=4 66 B25R3.13220928 CC(=C)COc1cc2OC=C(C(=O)c2cc1)c3ccc(Cl)cc3 Amb19915893 [0,1,0,0,0,1|0,0,2]=4 67 B25R3.43973342 COC(=O)COc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb19906312 [0,1,0,0,0,1|1,0,1]=4 68 B25R3.127808199 CN(C)C(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb18480716 [0,1,0,0,0,1|1,0,0]=3 69 B25R3.119946849 CC(=O)Oc1cc2OC(C)=C(c3ccc(Br)cc3)C(=O)c2cc1 Amb19543760 [0,2,0,0,0,0|1,0,1]=4 70 B25R3.119946849 CC(=O)Oc1cc2OC(C)=C(c3ccc(Cl)cc3)C(=O)c2cc1 Amb19906379 [0,2,0,0,0,0|1,0,1]=4 71 B25R3.119946849 CC(=O)Oc1cc2OC(C)=C(c3ccc(F)cc3)C(=O)c2cc1 Amb18481714 [0,2,0,0,0,0|1,0,1]=4 72 B25R3.119946849 CC(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccc(cc3)Cl)C Amb2476596 [0,2,0,0,0,0|1,0,1]=4 73 B25R3.143584098 CC(=O)Oc1ccc2c(OC(C)=C(c3ccccc3)C2=O)c1C Amb19532721 [0,2,0,0,0,0|1,0,1]=4 74 B25R3.309666537 CC=1Oc2cc(ccc2C(=O)C1c3ccccc3)OC(=O)CC Amb20650190 [0,2,0,0,0,0|1,0,1]=4 75 B25R3.309666537 CCC(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccccc3)C Amb2476605 [0,2,0,0,0,0|1,0,1]=4 76 B25R3.2843539 CC(=O)Oc1cc2OC=C(C(=O)c2cc1)c3ccc(cc3)OC Amb19831425 [0,2,0,0,0,0|1,0,1]=4 77 B25R3.13220946 CC(C)Oc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)cc3 Amb19906265 [0,2,0,0,0,0|0,0,0]=2 78 B25R3.119954509 Brc1ccc(cc1)c2coc3c(c2=O)ccc(c3)OS(=O)(=O)C Amb2460961 [0,2,0,0,0,0|2,0,0]=4 79 B25R3.119954509 CS(=O)(=O)Oc1cc2OC=C(c3ccc(Br)cc3)C(=O)c2cc1 Amb19535080 [0,2,0,0,0,0|2,0,0]=4 80 B25R3.119954509 CS(=O)(=O)Oc1cc2OC=C(c3ccc(Cl)cc3)C(=O)c2cc1 Amb19817740 [0,2,0,0,0,0|2,0,0]=4 81 B25R3.932235820 CCC(=O)Oc1cc2OC=C(c3ccc(Cl)cc3)C(=O)c2cc1 Amb19906393 [0,2,0,0,0,0|1,0,1]=4 82 B25R3.89449348 CC(=O)Oc1cc2OC=C(c3ccccc3OC)C(=O)c2cc1 Amb17988530 [0,2,0,0,0,0|1,0,1]=4 83 B25R3.89449348 COc1ccccc1c2coc3c(c2=O)ccc(c3)OC(=O)C Amb1268651 [0,2,0,0,0,0|1,0,1]=4 84 B25R3.150182239 CC(=O)Oc1ccc2c(OC=C(c3ccccc3F)C2=O)c1C Amb19936594 [0,2,0,0,0,0|1,0,1]=4 85 B25R3.932384110 COC(=O)Oc1cc2OC=C(c3ccccc3Cl)C(=O)c2cc1 Amb18369445 [0,2,0,0,0,0|1,0,1]=4 86 B25R3.932384110 COC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccccc3Cl Amb1278791 [0,2,0,0,0,0|1,0,1]=4 87 B25R3.57638084 CCOC(=O)Oc1cc2OC=C(c3ccccc3)C(=O)c2cc1 Amb17998239 [0,2,0,0,0,0|1,0,1]=4 88 B25R3.57638084 CCOC(=O)Oc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb2558679 [0,2,0,0,0,0|1,0,1]=4 89 B23R3.11383023 CCOc1cc2OC=C(Oc3ccccc3)C(=O)c2cc1 Amb19532307 [1,0,0,0,0,1|0,0,0]=2 90 B23R3.38361 CC(=O)Oc1ccc2OC(=O)C(=Cc2c1)c3ccccc3 Amb24105114 [0,0,0,0,1,1|1,0,1]=4 91 B25R3.127808210 CC(C)=CCOc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb19204084 [0,0,0,0,0,2|0,0,1]=3