0 B9R0.5 CCCCCC(=O)OCC DY822461 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCNCCC(=O)OCC DY703477 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCC#CC(=O)OCC DY560139 [1,0,0,0,0,0|0,0,3]=4 4 B8R0.1 CCOC(=O)\C=C\C=O NO11394 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.1 CCOCC(=O)OCC DY461136 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 CCC\C=C\C=C\CO NO17006 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.2 CCOC(=N)CC(=O)OCC NO19628 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.2 CCOC(=O)CC(=O)C=[N+]=[N-] DY584498 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.2 C\C=C\C(=O)OC(=O)\C=C\C DY563937 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.19 CCCCC(=O)C(=O)OCC NO11379 [0,1,0,0,0,0|0,0,3]=4 11 B10R0.19 CCO\C=C(/C)C(=O)OCC DY586022 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCOC1=CC(N)=NC=C1 DY20309 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.11 CCCC(=O)C1=CC=CS1 DY786724 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.11 CCOC(=O)C1=CC=CO1 DY10319 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.11 CCOC(=O)C1=CC=CS1 NO14077 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.11 CCOC(=O)C1=CN=CO1 NO17742 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.11 CCOC(=O)C1=CN=CS1 NO11320 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.11 CCOC(=O)C1=CNC=N1 NO18895 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.11 CCOC(=O)C1=CNN=C1 DY649403 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.11 CCOC(=O)C1=CNN=C1 NO10111 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.11 CCOC(=O)C1=CNN=N1 NO20694 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.11 CCOC(=O)C1=COC=N1 NO18179 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.11 CCOC(=O)C1=CSC=C1 NO10526 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.11 CCOC(=O)C1=NC=CN1 NO18245 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.11 CCOC(=O)C1=NNC=C1 NO20723 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.11 CCOC(=O)C1CC=CC1 DY540813 [0,0,0,1,0,0|0,0,2]=3 30 B10R1.11 CCOC(=O)C1CC=NN1 NO16648 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.11 CNCC(=O)C1=CC=CS1 DY787552 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.96 CCCC1=CC=C(C=O)S1 DY450796 [0,0,0,1,0,0|2,1,0]=4 33 B10R1.138 CCOC(=O)\C=C\C1CC1 DY608344 [0,0,0,1,0,0|0,0,2]=3 34 B10R1.245 CC1=CC=CC(C)=C1CCl DY20793 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.245 CC1=CC=CC(C)=C1CN NO21184 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.245 CC1=CC=CC(C)=C1CO NO10906 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.245 CCC1=C(O)C=CC=C1N DY442227 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.245 COC1=C(Cl)C=CC=C1C DY822112 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.245 Cc1cccc(Br)c1CBr DY584783 [0,0,0,1,0,0|3,0,0]=4 40 B7R0.3 CC\C=C\C(=O)OC DY741019 [2,0,0,0,0,0|0,0,1]=3 41 B7R0.3 COC(=O)\C=C\CBr NO13509 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.3 COC(=O)\C=C\CN DY583653 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.3 CO\C=C\C(=O)OC NO11630 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.7 CC#CC(=O)OCC NO10117 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.7 CCOC(=O)CC=O DY586084 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.7 CCOC(=O)CNC NO17068 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.7 CCOC(=O)COC NO11389 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.7 CCOC(=O)\C=C\Br DY822474 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 CCO\C=C\C(=O)O NO22271 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.4 C\C=C\C=C\C(=O)[O-] NO11961 [2,0,0,0,0,0|0,0,1]=3 51 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [1,1,0,0,0,0|0,0,2]=4 52 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [1,1,0,0,0,0|0,0,2]=4 53 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.48 CCOC(=O)\C=C\N(C)C DY506879 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.1 COC(=O)\C=C\CN(C)C DY822715 [1,1,0,0,0,0|1,0,1]=4 57 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O NO11384 [0,2,0,0,0,0|1,0,0]=3 58 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O NO16452 [0,2,0,0,0,0|1,0,0]=3 59 B11R0.191 CCO\C=C(/C#N)C(=O)OCC DY581373 [0,2,0,0,0,0|1,0,1]=4 60 B9R1.8 CCOC1=CC=CN=N1 DY736406 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.3 CC1=C(C)C(Br)=CC=C1 NO19738 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.3 CN1C(=O)C=CC=C1Cl NO17012 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.11 COC(=O)C1=CC=CN1 NO17868 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.11 COC(=O)C1=CC=CO1 NO11606 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.11 COC(=O)C1=CCCC1 NO18911 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.11 COC(=O)C1=CNC=C1 NO20729 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.11 COC(=O)C1=CNC=N1 NO18794 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.11 COC(=O)C1=NC=CN1 NO15200 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.11 COC(=O)C1=NNC=C1 NO11588 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.11 NCC(=O)C1=CC=CO1 DY447227 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.11 O=C(CBr)C1=CC=CN1 DY718347 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.16 CCCC(=O)C1=NC=CN=C1 DY710605 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.16 CCOC(=N)C1=CN=CC=C1 DY714620 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [0,1,0,1,0,0|0,0,1]=3 80 B11R1.16 CCOC(=O)C1=CN=NC=C1 DY736430 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [0,1,0,1,0,0|0,0,1]=3 82 B11R1.16 CCOC(=O)C1CCC=CO1 DY573669 [0,1,0,1,0,0|0,0,2]=4 83 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.24 COCOC1=CC=CC(Cl)=C1 DY449110 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.24 FC1=CC=CC(OCCBr)=C1 DY574785 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.24 NC1=CC=CC(OCCO)=C1 DY557451 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.30 CCCC(=O)CC1=CC=CO1 DY604803 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.30 CCOC(=O)CC1=NC=CS1 NO13253 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.30 CCOC(=O)CC1=NNC=C1 DY573351 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.189 CCOC1=CC=CC(C#N)=C1 DY584293 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.189 CCOC1=CC=CC(C=O)=C1 DY433437 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 NO15691 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.199 CCOC(=O)C1=C(Br)NC=N1 DY581943 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.199 CCOC(=O)C1=C(Br)SC=N1 NO11371 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.199 CCOC(=O)C1=C(C)C=CN1 NO12952 [0,1,0,1,0,0|0,0,0]=2 96 B11R1.199 CCOC(=O)C1=C(C)N=CO1 NO18854 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.199 CCOC(=O)C1=C(C)N=CS1 DY538659 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.199 CCOC(=O)C1=C(C)NC=C1 NO21661 [0,1,0,1,0,0|0,0,0]=2 99 B11R1.199 CCOC(=O)C1=C(C)NC=N1 NO14683 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.199 CCOC(=O)C1=C(C)SC=C1 NO14520 [0,1,0,1,0,0|0,0,0]=2 101 B11R1.199 CCOC(=O)C1=C(C)SC=N1 DY20937 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.199 CCOC(=O)C1=C(Cl)NN=C1 NO15592 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 NO16666 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.199 CCOC(=O)C1=C(F)NC=N1 DY430952 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.199 CCOC(=O)C1=C(I)C=NN1 DY532947 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.199 CCOC(=O)C1=C(I)N=CO1 DY107020 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.199 CCOC(=O)C1=C(N)C=CN1 NO12318 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.199 CCOC(=O)C1=C(N)C=CN1 NO14038 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.199 CCOC(=O)C1=C(N)NN=C1 DY459504 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.199 CCOC(=O)C1=C(O)C=CS1 DY786988 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.199 CCOC(=O)C1=CC=CN1C DY717261 [0,1,0,1,0,0|0,0,0]=2 112 B11R1.199 CCOC(=O)C1=CNN=C1N NO19555 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.199 CCOC(=O)C1=CON=C1C NO18140 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.199 CCOC(=O)C1=NC=CN1C NO11324 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.199 CCOC(=O)C1=NNC=C1C NO15101 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.199 CCOC(=O)c1ccnn1C DY585155 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.265 COC1=C(C=O)C=CC=C1C NO15730 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.289 CCOC(=O)\C=C\C1CCC1 DY608332 [0,1,0,1,0,0|0,0,2]=4 119 B11R1.34 CCOC1=NC(C)=CC(Cl)=N1 DY694205 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.464 CCN1C(=O)C=C(O)C=C1C DY716234 [0,1,0,1,0,0|1,0,0]=3 121 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 DY600089 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 DY614010 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.15 CCOC(=O)C1=CC(=O)NN1 DY553551 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 NO17805 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.15 CCOC(=O)C1=CC(C)=NN1 NO16214 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.15 CCOC(=O)C1=CC(N)=CN1 NO22540 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 NO12128 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.15 CCOC(=O)C1=CC=C(C)N1 NO10437 [0,1,0,1,0,0|0,0,0]=2 129 B11R1.15 CCOC(=O)C1=CC=C(N)N1 NO15649 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 NO19262 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.15 CCOC(=O)C1=CN=C(Cl)N1 DY515097 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 DY575433 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 NO11339 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.15 CCOC(=O)C1=CN=C(N)N1 NO13818 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.15 CCOC(=O)C1=CN=C(N)S1 NO19535 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.15 CCOC(=O)C1=COC(Br)=N1 NO12176 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.15 CCOC(=O)C1=COC(I)=N1 NO17606 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.15 CCOC(=O)C1=COC(N)=N1 NO18060 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 NO11334 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.15 CCOC(=O)C1=CSC(C)=N1 NO20415 [0,1,0,1,0,0|1,0,0]=3 141 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 NO12667 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.15 CCOC(=O)C1=CSC(N)=N1 DY584332 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.15 CCOC(=O)C1=CSC(N)=N1 NO10112 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 DY448618 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.15 CCOC(=O)C1=NN(C)C=C1 NO15596 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.15 CCOC(=O)C1=NNC(=O)C1 DY561903 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.15 CCOC(=O)C1=NNC(C)=C1 NO19586 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 DY451888 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 NO20424 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.83 CCOC1=CC=C(C=O)C=C1 NO22818 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.83 CCOC1=CN=C(C=O)C=C1 DY712453 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 DY745657 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.192 CCOC1=CC(C)=C(N)C=N1 DY711829 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 NO16022 [0,1,0,1,0,0|2,0,0]=4 157 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [0,0,0,2,0,0|2,0,0]=4 158 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [0,0,0,2,0,0|2,0,0]=4 159 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.106 CC1=CC=CC2=NCCN12 DY760358 [0,0,0,2,0,0|2,0,0]=4 161 B11R2.106 O=C1C=CC=C2NCCN12 NO15111 [0,0,0,2,0,0|2,0,0]=4 162 B11R2.106 O=C1C=CC=C2NCCN12 NO17486 [0,0,0,2,0,0|2,0,0]=4 163 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [0,0,0,2,0,0|1,0,1]=4 164 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [0,0,0,2,0,0|0,0,2]=4 165 B11R2.1 O=C1OCC2=NC=CC=C12 NO11423 [0,0,0,2,0,0|1,0,1]=4