0 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.1 CCOC(=O)\C=C\CO MC103341 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [0,1,0,0,0,0|1,0,2]=4 7 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [0,1,0,0,0,0|1,0,2]=4 9 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,1,0,0,0,0|0,0,3]=4 10 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.10 CCCc1cccc(F)c1 MC440476 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.11 CCOC(=O)C1=CN=NS1 MC105773 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.11 CCOC(=O)C1=CNN=N1 CS20694 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,0,0,1,0,0|1,0,1]=3 31 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.11 CCOC(=O)C1=NC=NS1 MC106084 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.11 CCOC(=O)C1CC=NN1 CS16648 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.137 CCOC(=O)C=C1COC1 MC425331 [0,0,0,1,0,0|1,0,1]=3 36 B10R1.245 CC1=CC=CC(C)=C1CBr MC40551 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.245 CC1=CC=CC(C)=C1CCl MC20793 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.245 CC1=CC=CC(C)=C1CN CS21184 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.245 CC1=CC=CC(C)=C1CO CS10906 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.245 CCC1=C(O)C=CC=C1N MC442227 [0,0,0,1,0,0|2,0,1]=4 41 B7R0.3 COC(=O)\C=C\CBr CS13509 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.3 CO\C=C\C(=O)OC CS11630 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 CC#CC(=O)OCC CS10117 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.7 CCOC(=O)CNC CS17068 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.7 CCOC(=O)COC CS11389 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.4 CCC\C=C\C(C)=O MC20875 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.4 CCO\C=C\C(=O)O CS22271 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [2,0,0,0,0,0|0,0,1]=3 49 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [1,1,0,0,0,0|0,0,2]=4 50 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [1,1,0,0,0,0|0,0,2]=4 52 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [1,1,0,0,0,0|1,0,1]=4 56 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS11384 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS16452 [0,2,0,0,0,0|1,0,0]=3 58 B11R0.177 CCOC(=O)C(=O)C(=O)OCC MC33168 [0,2,0,0,0,0|1,0,1]=4 59 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.3 CC1=C(C)C(=O)NC=C1 MC431551 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.3 CC1=C(C)C(Br)=CC=C1 CS19738 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.3 CC1=CC=CC(Cl)=C1C MC41535 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.3 CC1=CC=CC(F)=C1C MC30143 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.3 CC1=CC=CC(N)=C1C MC40904 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.3 CC1=CC=CC(O)=C1C MC41190 [1,0,0,1,0,0|0,0,2]=4 72 B9R1.3 CC1=CC=CC(S)=C1C MC20384 [1,0,0,1,0,0|0,1,1]=4 73 B9R1.3 CN1C(=O)C=CC=C1Br MC425583 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.3 CN1C(=O)C=CC=C1Cl CS17012 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.11 COC(=O)C1=CCCC1 CS18911 [1,0,0,1,0,0|0,0,2]=4 79 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.79 COC(=O)C=C1COC1 MC444517 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,1,0,1,0,0|0,0,1]=3 86 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,1,0,1,0,0|0,0,1]=3 87 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,1,0,1,0,0|0,0,1]=3 88 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.30 CCOC(=O)CC1=NC=CS1 CS13253 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.189 CCOC1=CC=CC(C=O)=C1 MC433437 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 CS15691 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 MC113272 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.199 CCOC(=O)C1=C(Br)SC=N1 CS11371 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.199 CCOC(=O)C1=C(C)C=CN1 CS12952 [0,1,0,1,0,0|0,0,0]=2 95 B11R1.199 CCOC(=O)C1=C(C)N=CO1 CS18854 [0,1,0,1,0,0|1,0,0]=3 96 B11R1.199 CCOC(=O)C1=C(C)NC=C1 CS21661 [0,1,0,1,0,0|0,0,0]=2 97 B11R1.199 CCOC(=O)C1=C(C)NC=N1 CS14683 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.199 CCOC(=O)C1=C(C)SC=C1 CS14520 [0,1,0,1,0,0|0,0,0]=2 99 B11R1.199 CCOC(=O)C1=C(C)SC=N1 MC20937 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.199 CCOC(=O)C1=C(Cl)N=CS1 MC106731 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.199 CCOC(=O)C1=C(Cl)NN=C1 CS15592 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 CS16666 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.199 CCOC(=O)C1=C(F)NC=N1 MC430952 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.199 CCOC(=O)C1=C(I)N=CO1 MC107020 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.199 CCOC(=O)C1=C(I)SC=N1 MC442180 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.199 CCOC(=O)C1=C(N)C=CN1 CS12318 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.199 CCOC(=O)C1=C(N)C=CN1 CS14038 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.199 CCOC(=O)C1=C(N)N=CS1 MC106730 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.199 CCOC(=O)C1=CC=CN1N MC106600 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.199 CCOC(=O)C1=CNN=C1N CS19555 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.199 CCOC(=O)C1=CON=C1C CS18140 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.199 CCOC(=O)C1=NC=CN1C CS11324 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.199 CCOC(=O)C1=NNC=C1Br MC443495 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.199 CCOC(=O)C1=NNC=C1C CS15101 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.265 COC1=C(C=O)C=CC=C1C CS15730 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.34 CCOC1=NC(C)=CC(N)=C1 MC105729 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 CS17805 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.15 CCOC(=O)C1=CC(C)=NN1 CS16214 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.15 CCOC(=O)C1=CC(C)=NO1 MC41681 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.15 CCOC(=O)C1=CC(N)=CN1 CS22540 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.15 CCOC(=O)C1=CC(N)=NO1 MC107297 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 MC441009 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 CS12128 [0,1,0,1,0,0|1,0,0]=3 125 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.15 CCOC(=O)C1=CC=C(N)N1 CS15649 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 CS19262 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 CS11339 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.15 CCOC(=O)C1=CN=C(N)N1 CS13818 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.15 CCOC(=O)C1=CN=C(N)S1 CS19535 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.15 CCOC(=O)C1=COC(Br)=N1 CS12176 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 MC427383 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.15 CCOC(=O)C1=COC(I)=N1 CS17606 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.15 CCOC(=O)C1=COC(N)=N1 CS18060 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 CS14895 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 CS11334 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 CS12667 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.15 CCOC(=O)C1=CSC(F)=N1 MC425793 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.15 CCOC(=O)C1=CSC(N)=N1 CS10112 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.15 CCOC(=O)C1=NC(C)=NS1 MC42243 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.15 CCOC(=O)C1=NC=C(Br)N1 MC115985 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 MC428242 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.15 CCOC(=O)C1=NN(C)C=C1 CS15596 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS19586 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.15 CCOC(=O)C1=NNC(F)=C1 MC431096 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,1,0,0|1,0,1]=4 148 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.166 CC1=C(C(=O)O)C=CC(=O)O1 MC427282 [0,1,0,1,0,0|1,0,1]=4 151 B11R1.13 CCOc1cccc(F)c1F MC433141 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 CS20424 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.182 CCOC1=C(C)C=CC(N)=C1 MC111938 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 MC41352 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 MC41354 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 CS16022 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.192 CCOC1=CC=C(N)C(Br)=N1 MC432117 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.192 CCOC1=CC=C(N)C(N)=C1 MC433374 [0,1,0,1,0,0|2,0,0]=4 160 B11R2.36 BrC1=CC2=C(C=C1)CCO2 MC441170 [0,0,0,2,0,0|2,0,0]=4 161 B11R2.36 CC1=CC=C2CCNC2=C1 MC106356 [0,0,0,2,0,0|2,0,0]=4 162 B11R2.36 FC1=CC2=C(C=C1)CCO2 MC432264 [0,0,0,2,0,0|2,0,0]=4 163 B11R2.36 OC1=CC2=C(C=C1)CCO2 CS16031 [0,0,0,2,0,0|2,0,0]=4 164 B11R2.106 BrC1=C2CCCC2=CC=C1 CS16754 [0,0,0,2,0,0|2,0,0]=4 165 B11R2.106 CC1=C2CCNC2=CC=C1 MC425439 [0,0,0,2,0,0|2,0,0]=4 166 B11R2.106 NC1=C2CCOC2=CC=C1 CS21040 [0,0,0,2,0,0|2,0,0]=4 167 B11R2.106 O=C1C=CC=C2NCCN12 CS15111 [0,0,0,2,0,0|2,0,0]=4 168 B11R2.106 O=C1C=CC=C2NCCN12 CS17486 [0,0,0,2,0,0|2,0,0]=4 169 B11R2.106 OC1=CC=CC2=C1CCC2 CS22898 [0,0,0,2,0,0|1,0,1]=4 170 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,2,0,0|0,0,2]=4 171 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,2,0,0|1,0,1]=4