0 B9R0.5 CCCCCC(=O)OCC 15737 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCOC(=O)\C=C\C#N 25927 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.1 CCOC(=O)\C=C\CBr 35147 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.2 CCN\C(C)=C\C(=O)OCC 12808 [0,1,0,0,0,0|1,0,1]=3 6 B10R0.2 CCOC(=O)CC(=O)OCC 23745 [0,1,0,0,0,0|1,0,2]=4 7 B10R0.2 C\C=C\C(=O)OC(=O)\C=C\C 21781 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,1,0,0,0,0|0,0,3]=4 9 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [0,1,0,0,0,0|0,0,3]=4 10 B10R0.19 CCO\C=C(/C)C(=O)OCC 27412 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.11 CCOC(=O)C1=CC=CN1 14843 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.11 CCOC(=O)C1=CC=NN1 23654 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.11 CCOC(=O)C1=CN=CO1 24995 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.11 CCOC(=O)C1=CN=CS1 17199 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.11 CCOC(=O)C1=CNC=N1 19079 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.11 CCOC(=O)C1=CNN=C1 21939 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.11 CCOC(=O)C1=COC=C1 19999 [0,0,0,1,0,0|1,0,1]=3 37 B10R1.11 CCOC(=O)C1=COC=N1 15937 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.11 CCOC(=O)C1=CON=C1 24246 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.11 CCOC(=O)C1=CSC=C1 16116 [0,0,0,1,0,0|1,0,1]=3 40 B10R1.11 CCOC(=O)C1=CSC=N1 15785 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.11 CCOC(=O)C1=NC=CN1 19979 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.11 CCOC(=O)C1=NC=CO1 15936 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.11 CCOC(=O)C1=NNC=C1 19209 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.11 CCOC(=O)C1=NOC=C1 15841 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.11 CCOC(=O)C1CC=CC1 20010 [0,0,0,1,0,0|0,0,2]=3 46 B10R1.130 CCCC1=CC(=O)OC1O 31789 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.245 CC1=CC=CC(C)=C1CBr 31264 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.245 CC1=CC=CC(C)=C1CCl 16611 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.245 CC1=CC=CC(C)=C1CN 7406 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.245 CCC1=C(O)C=CC=C1N 28129 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.245 COC1=C(C)C=CC=C1C 4115 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.245 COC1=C(C)NC=CC1=O 36249 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.245 COC1=C(Cl)C=CC=C1C 5300 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.245 Cc1cccc(Br)c1CBr 31341 [0,0,0,1,0,0|3,0,0]=4 55 B7R0.3 C=CCOC(=O)OC 26330 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.3 COC(=O)\C=C\CBr 26000 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.3 COC(=O)\C=C\CBr 26406 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.3 CO\C=C\C(=O)OC 26434 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CC#CC(=O)OCC 45161 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 CCOC(=O)CNC 10917 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.7 CCOC(=O)\C=C\I 11670 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.4 CCC\C=C\C(C)=O 18920 [2,0,0,0,0,0|0,0,2]=4 64 B7R0.4 CCO\C=C\C(=O)O 20958 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [2,0,0,0,0,0|0,0,1]=3 66 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.35 CCOC(=N)C(=O)OCC 35840 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.48 CCOC(=O)CCC(C)=O 11220 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 26661 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [1,1,0,0,0,0|0,0,0]=2 71 B9R0.2 C\C=C\C=C\COC(C)=O 13748 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.24 COC(=O)\C=C\C(=O)OC 21799 [1,1,0,0,0,0|1,0,0]=3 73 B11R0.177 CCOC(=O)C(=O)C(=O)OCC 35431 [0,2,0,0,0,0|1,0,1]=4 74 B11R0.191 CCO\C=C(/C#N)C(=O)OCC 20497 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.140 CCO\C=C\C(=O)\C=C\OCC 24229 [0,2,0,0,0,0|1,0,1]=4 76 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,1,0,0|1,1,0]=4 80 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,0,0,1,0,0|1,1,0]=4 86 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.27 CCN1C(=O)C=CC1=O 25770 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.33 C=C=CN1CCOC1=O 11695 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.3 CC1=C(C)C(Br)=CC=C1 3766 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.3 CC1=C(C)C(I)=CC=C1 3865 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.3 CC1=CC=CC(Cl)=C1C 3638 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.3 CC1=CC=CC(F)=C1C 4408 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.3 CC1=CC=CC(S)=C1C 6883 [1,0,0,1,0,0|0,1,1]=4 94 B9R1.3 CN1C(=O)C=CC=C1Br 27775 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.11 CCC(=O)C1=CC=CS1 12618 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.11 COC(=O)C1=CC=CN1 9141 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.11 COC(=O)C1=CC=CO1 7090 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.11 COC(=O)C1=CC=CS1 19955 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.11 COC(=O)C1=CCCC1 2487 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.11 COC(=O)C1=CN=CS1 17249 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.11 COC(=O)C1=CNC=C1 22507 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.11 COC(=O)C1=CNC=N1 16142 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.11 COC(=O)C1=CSC=N1 15784 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=NC=CN1 23680 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.11 COC(=O)C1=NNC=C1 14332 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [1,0,0,1,0,0|2,0,0]=4 107 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [0,1,0,1,0,0|0,0,1]=3 109 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [0,1,0,1,0,0|0,0,1]=3 110 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [0,1,0,1,0,0|0,0,1]=3 111 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [0,1,0,1,0,0|0,0,1]=3 112 B11R1.16 CCOC(=O)C1=NC=NC=C1 20807 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.24 CCCOC1=CC=CC(Br)=N1 9752 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.24 CCCOC1=CN=CC(C)=N1 32081 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.189 CCOC1=CC=CC(NN)=C1 16014 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.199 CCOC(=O)C1=C(Br)SC=N1 15786 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.199 CCOC(=O)C1=C(C)C=CN1 15708 [0,1,0,1,0,0|0,0,0]=2 123 B11R1.199 CCOC(=O)C1=C(C)N=CN1 7225 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.199 CCOC(=O)C1=C(C)N=CS1 10431 [0,1,0,1,0,0|1,0,0]=3 125 B11R1.199 CCOC(=O)C1=C(C)NC=C1 9158 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.199 CCOC(=O)C1=C(C)NN=C1 23866 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.199 CCOC(=O)C1=C(C)SC=N1 21564 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.199 CCOC(=O)C1=C(I)SC=N1 33353 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.199 CCOC(=O)C1=C(N)C=CN1 20199 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.199 CCOC(=O)C1=C(N)C=CN1 9195 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.199 CCOC(=O)C1=C(N)NC=C1 14776 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.199 CCOC(=O)C1=C(N)ON=C1 15536 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.199 CCOC(=O)C1=C(N)SC=C1 22914 [0,1,0,1,0,0|1,0,0]=3 134 B11R1.199 CCOC(=O)C1=CN=CN1N 31668 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.199 CCOC(=O)C1=CNN=C1Br 35173 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.199 CCOC(=O)C1=CNN=C1I 26343 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.199 CCOC(=O)C1=CNN=C1N 13056 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.199 CCOC(=O)C1=CNN=C1N 13245 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.199 CCOC(=O)C1=NC=CN1C 22681 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.199 CCOC(=O)C1=NNC=C1Br 34528 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.199 CCOC(=O)C1=NNC=C1C 25436 [0,1,0,1,0,0|1,0,0]=3 142 B11R1.265 COC1=C(C=O)C=CC=C1C 30962 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.34 CCOC1=CC(C)=CC(C)=C1 3239 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.34 CCOC1=CC(Cl)=CC(F)=C1 3161 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 25407 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 17836 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 17688 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.15 CCOC(=O)C1=CC(C)=CN1 22960 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.15 CCOC(=O)C1=CC(C)=NN1 7843 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 27361 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 16118 [0,1,0,1,0,0|1,0,0]=3 152 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 16133 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.15 CCOC(=O)C1=CC=C(O)S1 24187 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.15 CCOC(=O)C1=CN(C)N=C1 23710 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 13480 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 15942 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.15 CCOC(=O)C1=CN=C(N)N1 23705 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.15 CCOC(=O)C1=CN=C(N)S1 13046 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 27770 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.15 CCOC(=O)C1=COC(N)=N1 18558 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 17466 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.15 CCOC(=O)C1=CSC(C)=N1 9870 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.15 CCOC(=O)C1=CSC(N)=N1 9935 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.15 CCOC(=O)C1=NC(C)=NS1 32004 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.15 CCOC(=O)C1=NNC(N)=C1 24642 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.15 CCOC(=O)C1=NNC(O)=C1 20550 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.15 CCOC(=O)C1=NOC(C)=C1 8773 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.13 CCOC1=C(F)C(F)=CC=C1 2326 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.13 CCOC1=CC=CC(Br)=C1I 19689 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [0,1,0,1,0,0|2,0,0]=4 173 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [0,1,0,1,0,0|2,0,0]=4 175 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [0,1,0,1,0,0|1,0,1]=4 176 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 25477 [0,1,0,1,0,0|1,0,0]=3 177 B11R1.192 CCOC1=CC(C)=C(C)C=C1 3238 [0,1,0,1,0,0|1,0,0]=3 178 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 25405 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=C1 3242 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 3159 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 3164 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.192 CCOC1=CC(F)=C(F)C=C1 2327 [0,1,0,1,0,0|2,0,0]=4 183 B11R1.192 CCOC1=CC(N)=C(N)C=C1 2153 [0,1,0,1,0,0|2,0,0]=4 184 B11R1.192 CCOC1=CC=C(N)C(N)=C1 2484 [0,1,0,1,0,0|2,0,0]=4 185 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,0,0,2,0,0|2,0,0]=4 186 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,0,0,2,0,0|2,0,0]=4 187 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [0,0,0,2,0,0|2,0,0]=4 188 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [0,0,0,2,0,0|1,0,1]=4 189 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,2,0,0|0,0,2]=4