0 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 O=CNNC1=CC=CC=C1 16370 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.1 CC1=CC=C(C[Se]C#N)C=C1 20013 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.1 N#C[Se]CC1=CC=C(Br)C=C1 20022 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.1 N#C[Se]CC1=CC=C(F)C=C1 20018 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.16 CN(NC=O)C1=CC=CC=C1 16420 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,1,0,0,0,0|0,0,3]=4 25 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,1,0,0,0,0|0,0,3]=4 26 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,1,0,0,0,0|0,0,2]=3 27 B11R1.17 CC1=CC=CC=C1COC=O 16773 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.17 CC1=CC=CC=C1CSC#N 16772 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.91 O=[N+]([O-])NNC1=CC=CC=C1 22288 [0,1,0,0,0,0|3,0,0]=4 43 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,1,0,0|1,0,1]=3 44 B11R2.20 C1=CC2=C(CCCC2)N=C1 20737 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [0,0,0,1,0,0|1,0,2]=4 47 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.988 C=CC1CC2=CC=CC=C21 16578 [0,0,0,1,0,0|1,0,0]=2 49 B11R2.988 N#CC1CC2=CC=CC=C21 16577 [0,0,0,1,0,0|1,0,1]=3 50 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.12 CCCCC1=CSC=C1 19189 [0,0,0,0,1,0|2,0,1]=4 52 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|0,0,1]=3 53 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|2,0,0]=4 54 B10R0.71 C=C\C=C/C=C/CCCCC 100793 [0,1,1,0,0,0|1,0,1]=4 55 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.1 COCOCC1=CC=C(F)C=C1 102897 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.30 CCCCC(O)C1=CC=CC=C1 100952 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.30 C\C=C\CN(C)C1=CC=CC=C1 100882 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.30 OC\C=C/C(O)C1=CC=CC=C1 103123 [0,2,0,0,0,0|0,0,2]=4 81 B12R1.30 OC\C=C\C(O)C1=CC=CC=C1 103122 [0,2,0,0,0,0|0,0,2]=4 82 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,2,0,0,0,0|0,0,1]=3 83 B12R1.125 CC(=O)NCC1=C(C)C=CN=C1 15651 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,2,0,0,0,0|0,0,2]=4 86 B12R1.267 COCOCC1=C(F)C=CC=C1 102894 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.374 C=CCOC1=CC(C)=CC=C1N 20860 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.1631 C=CCOC1=C(F)C=CC=C1F 102268 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.28 COCOCC1=CC(F)=CC=C1 102892 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.8 NCCCNCC1=CC=CC=C1 19997 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,2,0,0,0,0|0,0,2]=4 96 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 20474 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [0,2,0,0,0,0|0,0,0]=2 104 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,2,0,0,0,0|0,0,1]=3 105 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|0,0,1]=3 106 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,0]=3 107 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|0,0,0]=2 108 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|0,0,1]=3 109 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|1,0,0]=3 110 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,1,0,1,0,0|0,0,2]=4 112 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.24 OC1=CC=C2CCNCC2=C1 15601 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.24 OC1=CC=C2CNCCC2=C1 15599 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.132 OC1CCC2=CC=C(Br)C=C21 19214 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 19934 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,1,0,1,0,0|0,0,1]=3 119 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,1,0,1,0,0|0,0,0]=2 123 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 836 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 16414 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.203 O=C1OCC2=C1C(F)=CC=C2 101170 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,1,0,0|0,0,2]=4 130 B12R2.1 N\N=C1\CCC2=CC=CC=C21 10291 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.1 O=CC1C=NC2=CC=CC=C21 20920 [0,1,0,1,0,0|0,0,1]=3 132 B12R2.1 O=NN1CCC2=CC=CC=C21 11449 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|0,0,0]=2 135 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 19197 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.2051 C=CC1(C)CC2=CC=CC=C21 16580 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.2051 N#CC1(Cl)CC2=CC=CC=C21 16691 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [0,1,0,1,0,0|0,0,0]=2