0 B12R1.125 N=C(N)CCC1=CC=CC=C1Cl SC-65323 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 SC-22513 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SC-38608 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.125 N=C(N)NCC1=CC=CC=C1Cl SC-60347 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SC-49196 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.125 O=C(O)CCC1=CC=CC=C1F SC-76672 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 CC1=CC=CC=C1CCCO SC-70922 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.17 CC1=CC=CC=C1CCNN SC-60002 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.17 CC1=CC=CC=C1CCNN SC-62630 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.17 CCCNC1=C(Cl)C=CC=C1 SC-61712 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.17 CCCNC1=CC=CC=C1Br SC-61707 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.17 CCCNC1=CC=CC=C1C SC-61693 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.17 CCCNC1=CC=CC=C1F SC-61700 [1,0,0,0,0,0|2,1,0]=4 13 B11R1.17 CNCCC1=CC=CC=C1F SC-27203 [1,0,0,0,0,0|0,1,0]=2 14 B11R1.17 ClCCCC1=C(Cl)C=CC=C1 SC-65322 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.17 NCCCC1=CC=CC=C1Br SC-34132 [1,0,0,0,0,0|2,1,0]=4 16 B11R1.17 NNCCC1=CC=CC=C1Br SC-42551 [1,0,0,0,0,0|1,1,0]=3 17 B11R1.17 NNCCC1=CC=CC=C1Cl SC-62688 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.17 NNCCC1=CC=CC=C1F SC-62635 [1,0,0,0,0,0|1,1,0]=3 19 B11R1.17 O=C=NCC1=CC=CC=C1Cl SC-48492 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.17 O=CCCC1=CC=CC=C1Cl SC-31469 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.17 O=CCCC1=NC=CC=C1Cl SC-31089 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.17 O=CCOC1=CC=CC=C1Cl SC-61838 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.91 CC(=N)NCC1=CC=CC=C1 SC-62048 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.91 CC(=S)CSC1=CC=CC=C1 SC-42706 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 CC(N)CCC1=CC=CC=C1 SC-62200 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 CN(C)\N=C\C1=CC=CC=C1 SC-33533 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.91 N=C(N)CCC1=CC=CC=C1 SC-39335 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 SC-04862 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SC-68717 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 OB(O)CCC1=CC=CC=C1 SC-86482 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.157 CS(=O)(=O)OCC1=CC=CC=C1Cl SC-61609 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.164 CC1=CC(O)=CC=C1NCC(C)C SC-59551 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 SC-65497 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1Cl SC-49265 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Cl SC-49256 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SC-45626 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O SC-10540 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.528 COC(=O)CNC1=CC=CC=C1Cl SC-01026 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.528 N=C(CCC1=CC=CC=C1Cl)NO SC-56239 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.893 O=C(O)CCC1=CC(F)=CC=C1Cl SC-42198 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.216 O=C1CC(C2=CC=CC=C2Br)C1 SC-36014 [0,0,0,1,0,0|2,1,0]=4 42 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 SC-36056 [0,0,0,1,0,0|2,0,0]=3 43 B13R2.216 O=C1CC(C2=CC=CC=C2F)C1 SC-35892 [0,0,0,1,0,0|2,1,0]=4 44 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 SC-61255 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.3587 OC1=C(OCC2CC2)C=CC=C1 SC-54596 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.4848 CC1(C)CNC2=C1C=CC=C2Br SC-32500 [0,0,0,1,0,0|2,1,0]=4 47 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 SC-51107 [0,0,0,1,0,0|3,0,0]=4 48 B11R1.86 CC(=O)CC1=CC=CC=C1Br SC-62739 [0,0,0,0,1,0|2,1,0]=4 49 B11R1.86 CC(C)OC1=CC=CC=C1N SC-33822 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.86 CC(N)CC1=CC=CC=C1O SC-60629 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.86 CC1=CC=CC=C1CC(C)N SC-60647 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.86 N=C(N)CC1=CC=CC=C1Cl SC-24836 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 SC-61211 [0,0,0,0,0,1|1,0,0]=2 54 B10R1.4 CC1=CC=CC=C1CNN SC-40392 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.4 CC1=CC=CN=C1CCN SC-60324 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.4 CCCC1=CC=CC=C1N SC-86830 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.4 CCNC1=CC=CC=C1Br SC-61706 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.4 CCNC1=CC=CC=C1Cl SC-61713 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.4 CCOC1=C(O)C=CC=C1 SC-48105 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.4 CNCC1=CC=CC=C1C SC-62229 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.4 CNCC1=CC=CC=C1F SC-27453 [2,0,0,0,0,0|0,1,0]=3 62 B10R1.4 FC1=CC=CC=C1CCCl SC-45693 [2,0,0,0,0,0|1,1,0]=4 63 B10R1.4 N#CCC1=C(Cl)C=CC=C1 SC-75594 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.4 NCCC1=C(Br)C=NC=C1 SC-43174 [2,0,0,0,0,0|1,1,0]=4 65 B10R1.4 NCCC1=CC=CN=C1Br SC-43083 [2,0,0,0,0,0|1,1,0]=4 66 B10R1.4 NOCC1=CC=CC=C1Br SC-60661 [2,0,0,0,0,0|1,1,0]=4 67 B10R1.4 NOCC1=CC=CC=C1Cl SC-60656 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.4 O=CCC1=CC=CC=C1Cl SC-12752 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.4 OC1=CC=CC=C1CCBr SC-41289 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.4 OCCC1=CC=CC=C1Br SC-49222 [2,0,0,0,0,0|1,1,0]=4 71 B10R1.4 OCCC1=CC=CC=C1Cl SC-22584 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.4 OCCC1=NC=CC=C1Cl SC-67425 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 CCCCC1=NC=CC=C1 SC-52456 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 CNCCC1=CC=NC=C1 SC-25785 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.17 NNCCC1=CC=CC=N1 SC-58990 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 NNCCC1=NC=CC=C1 SC-41708 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.25 CC1=C(C)C(CCNN)=CC=C1 SC-60236 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.25 NNCCC1=CC=CC(Cl)=C1F SC-60077 [1,1,0,0,0,0|1,1,0]=4 79 B12R1.25 O=CCCC1=CC=CC(Cl)=C1Cl SC-31470 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.69 N#CCCC1=CC=C(Cl)C=C1Cl SC-61355 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.69 NCCCC1=CC=C(Cl)C=C1Cl SC-61357 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.69 NNCCC1=CC=C(Cl)C=C1Cl SC-59898 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.69 NNCCC1=CC=C(Cl)C=C1Cl SC-61354 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.69 NNCCC1=CC=C(F)C=C1Cl SC-60043 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.69 NNCCC1=CC=C(F)C=C1F SC-61338 [1,1,0,0,0,0|1,1,0]=4 86 B12R1.69 O=CCCC1=C(Cl)C=C(Cl)C=C1 SC-30867 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.69 O=CCCC1=CC=C(F)C=C1Cl SC-31402 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.69 OCCCC1=C(Cl)C=C(F)C=C1 SC-30452 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.121 CCCCC1=CC=CC=C1NN SC-62641 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.121 COC1=CC=CC=C1CCNN SC-60080 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.267 CC1=CC=CC=C1CCCCO SC-57734 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.267 CC1=CC=CC=C1OCCNN SC-62685 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.267 CCCCNC1=CC=CC=C1Br SC-61670 [1,1,0,0,0,0|1,1,0]=4 94 B12R1.267 CCCCNC1=CC=CC=C1C SC-61652 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.267 CCCCNC1=CC=CC=C1F SC-61667 [1,1,0,0,0,0|1,1,0]=4 96 B12R1.371 CC(CC1=CC=CC=C1Br)NN SC-41610 [1,1,0,0,0,0|1,1,0]=4 97 B12R1.371 CC(CC1=CC=CC=C1F)NN SC-38798 [1,1,0,0,0,0|1,1,0]=4 98 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SC-85160 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.371 N=C(CC1=CC=CC=C1Cl)NO SC-56243 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.374 CC1=CC=C(C)C(CCNN)=C1 SC-60095 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.374 CC1=CC=C(F)C=C1CCNN SC-60213 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl SC-30745 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.374 OCCCC1=CC(F)=CC=C1Cl SC-42638 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.1631 CC1=CC=CC(C)=C1CCNN SC-60201 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.1631 N#CCCC1=C(Cl)C=CC=C1Cl SC-58254 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.1631 NCCCC1=C(Cl)C=CC=C1Cl SC-54855 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.1631 NNCCC1=C(Cl)C=CC=C1Cl SC-61351 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.1631 NNCCC1=C(Cl)C=CC=C1Cl SC-62699 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.1631 NNCCC1=C(F)C=CC=C1Cl SC-61337 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.1631 NNCCC1=C(F)C=CC=C1F SC-60214 [1,1,0,0,0,0|1,1,0]=4 111 B12R1.1631 O=CCCC1=C(Cl)C=CC=C1Cl SC-31033 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 SC-34731 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SC-18497 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.21 CC(C)CNC1=CC=C(O)C=C1 SC-41141 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 SC-27374 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 SC-34569 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.21 CN(C)CCC1=CC=C(Br)C=C1 SC-34602 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 SC-13784 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 SC-45126 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.27 NC(CO)CCC1=CC=CC=C1 SC-41147 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 SC-13097 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 SC-14428 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 SC-87217 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.107 CC(C)CN(N)C1=CC=CC=C1 SC-38535 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br SC-91642 [0,1,0,0,1,0|0,1,1]=4 126 B12R1.151 C[Si](C)(C)OC1=CC=CC=C1Cl SC-50926 [0,1,0,0,1,0|2,0,0]=4 127 B14R1.160 CC(C)NCC(O)C1=CC=CC=C1Cl SC-25728 [0,1,0,0,0,1|1,0,0]=3 128 B14R1.6072 CN(C)CCOC1=CC(Br)=CC=C1N SC-61212 [0,1,0,0,0,1|1,0,0]=3 129 B14R1.6072 CN(C)CCOC1=CC(F)=CC=C1N SC-61214 [0,1,0,0,0,1|1,0,0]=3 130 B14R1.727 COC(=O)CCC1=CC=C(F)C=C1Cl SC-30020 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.598 CCOC(=N)CCC1=C(Cl)C=CC=C1 SC-65485 [0,2,0,0,0,0|2,0,0]=4 132 B12R2.32 NNC1CC2=C(C=CC=C2)C1 SC-12825 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.41 C1=CC=C2CCCCCC2=C1 SC-36155 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.41 C1=CC=C2CCNCCC2=C1 SC-21547 [1,0,0,1,0,0|1,0,0]=3 135 B12R2.1081 ClC1=CC=CC2=C1CCNC2 SC-A3405 [1,0,0,1,0,0|0,0,0]=2 136 B12R2.1081 FC1=CC=CC2=C1CCNC2 SC-71652 [1,0,0,1,0,0|0,1,0]=3 137 B12R2.1081 O=C1NC=CC2=C1CCNC2 SC-34966 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 SC-87898 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 SC-30760 [1,0,0,1,0,0|2,0,0]=4 140 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2Cl SC-57326 [0,0,0,1,0,1|2,0,0]=4 141 B14R2.8039 CC1(C)CCC2=C(C=CC=C2Br)O1 SC-21438 [0,1,0,1,0,0|1,1,0]=4 142 B10R1.61 C=C(C)C1=CC=CC=C1Cl SC-31893 [0,0,0,0,2,0|1,0,1]=4 143 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 SC-27076 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.61 CC1=CC=CC=C1C(C)C SC-68041 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.61 CC1=CC=CC=C1N(C)C SC-77866 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.61 CN(C)C1=C(N)C=CC=C1 SC-51496 [0,0,0,0,2,0|1,0,0]=3 147 B10R1.61 CN(C)C1=NC=CC=C1Br SC-53792 [0,0,0,0,2,0|1,1,0]=4 148 B10R1.61 CN(N)C1=NC=CC=C1Cl SC-43255 [0,0,0,0,2,0|2,0,0]=4