0 B12R1.128 CC1=CN=C(C(=C1)[Si](C)(C)C)Cl ADE000764 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [1,0,0,0,0,0|1,1,0]=3 4 B11R1.87 C[Si](C)(C)C1=CC=CN=C1Cl SYX00316 [1,0,0,0,0,0|2,1,0]=4 5 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.155 CC(C)(O)C1=CN=CC(=C1)Br PH007865 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.155 CC(C)(O)C1=C[N+](=CC=C1)[O-] S668338 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.155 C[Si](C)(C)C1=NC=CC(=C1)Cl SYX00357 [1,0,0,0,0,0|2,1,0]=4 10 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.877 CC(C)(C)C1=CC(=O)C(=CC1=O)Cl R164070 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.886 C[Si](C)(C)C1=C(C=CC(=C1Cl)Cl)Cl S825549 [0,1,0,0,0,0|2,1,0]=4 18 B13R1.2815 CC(C)(C)C1=CC(=CC(=C1O)Cl)Cl T164682 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.3090 COC1=C(C=C(C=C1)Br)C(C)(C)C L498459 [0,1,0,0,0,0|1,0,1]=3 20 B11R0.34 CC(C)(C)NC(=O)/C=C\C(=O)O R698504 [0,0,1,0,0,0|2,0,0]=3 21 B13R2.3791 CC1=CC=C2CCC(C2=N1)(C)C T187674 [0,0,0,1,0,0|3,0,0]=4 22 B10R0.96 CC(C)NC(=O)/C=C\C(=O)O R700444 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.76 CC(C)(C)C1=CC=CC=C1NN PH018938 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.1010 C[Si](C)(C)C1=C(C=CC=C1Cl)Cl S825557 [1,1,0,0,0,0|1,1,0]=4 55 B12R1.1010 C[Si](C)(C)C1=C(C=CC=C1F)F S815608 [1,1,0,0,0,0|1,1,0]=4 56 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.23 CC1=CC=C(C=C1Br)C(C)(C)C S866571 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.102 CC1=CC(=CC(=[O+]1)C)C(C)(C)C R250392 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.102 CC1=CC(=CC(=[O+]1)C)C(C)(C)C R250481 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.436 CC(C)(O)C1=NC=CC(=C1)C=O PH017925 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.436 COC1=CC=CC(=C1)C(C)(C)N CDS008388 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.46 CN(C)C1=C(C=CC(=C1)Br)C=O CDS023597 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.453 CC(C)C1=CC(=CC=C1F)CN PH019020 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.6037 CC1=CC(=C(C=C1CC(C)(C)C)C)C S663301 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.12 CC(C)(C)C1=CC(=CC=C1O)C(=O)O CDS014273 [0,2,0,0,0,0|0,0,1]=3 71 B14R1.574 CC1=CC(=CC(=C1O)C(C)(C)C)N=O S85090 [0,2,0,0,0,0|0,0,1]=3 72 B14R1.3720 COC1=CC=C(C=C1C(C)(C)C)C#N L498327 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.3720 COC1=CC=C(C=C1C(C)(C)C)C=O L497738 [0,2,0,0,0,0|0,0,1]=3 74 B14R1.3292 COC1=CC=C(C=C1C(C)(C)CCl)Br R224790 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.3142 CC(C)(C)C1=CC(=O)C(=C(C1=O)Br)Cl R162981 [0,2,0,0,0,0|0,0,0]=2 76 B14R1.3142 CC1=C(C(=C(C(=C1)C(C)(C)C)C)C)C S846481 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.3144 CC1=CC(=O)C(=C(C1=O)Cl)C(C)(C)C R166456 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.361 CC1=CC(=C(C(=C1)C=O)O)C(C)(C)C PH002940 [0,2,0,0,0,0|1,0,1]=4 79 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1316 OC1=CC=C(C=C1C2CC2)F PH017223 [1,0,0,1,0,0|1,0,1]=4 84 B14R2.8732 CC1=CC=C2C(=O)OC(C2=C1)(C)C T313041 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.55 CC(C)(C)C1=CC(=O)CC1 T214434 [1,0,0,0,1,0|0,0,2]=4 86 B12R1.119 CC(C)(C)OC1=CC(=CC=N1)Br CDS004777 [1,0,0,0,0,1|2,0,0]=4 87 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [1,0,0,0,0,1|2,0,0]=4 88 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [3,0,0,0,0,0|1,0,0]=4 89 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [3,0,0,0,0,0|1,0,0]=4 90 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [3,0,0,0,0,0|1,0,0]=4 91 B9R1.15 CCN1C=CC=CC1=O S683159 [3,0,0,0,0,0|1,0,0]=4 92 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [3,0,0,0,0,0|1,0,0]=4 93 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [2,1,0,0,0,0|1,0,0]=4 94 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [2,1,0,0,0,0|1,0,0]=4 95 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [2,1,0,0,0,0|1,0,0]=4 96 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [2,1,0,0,0,0|1,0,0]=4 97 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [2,1,0,0,0,0|1,0,0]=4 98 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [2,1,0,0,0,0|0,0,0]=3 99 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [2,1,0,0,0,0|0,1,0]=4 100 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [2,1,0,0,0,0|1,0,0]=4 101 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [2,1,0,0,0,0|1,0,0]=4 102 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [2,1,0,0,0,0|1,0,0]=4 103 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [2,1,0,0,0,0|1,0,0]=4 104 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [2,1,0,0,0,0|1,0,0]=4 105 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [2,1,0,0,0,0|0,1,0]=4 106 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [2,1,0,0,0,0|0,0,0]=3 107 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [2,1,0,0,0,0|1,0,0]=4 108 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [2,1,0,0,0,0|0,1,0]=4 109 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [2,1,0,0,0,0|1,0,0]=4 110 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [2,1,0,0,0,0|1,0,0]=4 111 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [2,1,0,0,0,0|1,0,0]=4 112 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [2,1,0,0,0,0|1,0,0]=4 113 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [2,1,0,0,0,0|0,0,0]=3 114 B11R1.45 C(=O)C1=CN(C=C1)C(C)(C)C CBR00127 [1,1,0,0,1,0|1,0,0]=4 115 B13R1.3089 C(=O)C1=CC=C(C=C1NC(C)C)C S879622 [1,1,0,0,0,1|1,0,0]=4 116 B13R1.53 COC1=C(C=CC(=C1)C)C(C)(C)C R278661 [1,2,0,0,0,0|0,0,1]=4 117 B13R1.884 CC1=C(C(=C(C=C1)C(C)(C)C)O)O S367168 [1,2,0,0,0,0|0,0,1]=4 118 B13R1.4183 CC(C)(CN)C1=CC=C(C=C1Cl)Cl OTV000622 [1,2,0,0,0,0|1,0,0]=4 119 B13R1.272 CC(C)(CN)C1=CC=C(C(=C1)Cl)Cl CDS023678 [1,2,0,0,0,0|1,0,0]=4 120 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [1,2,0,0,0,0|1,0,0]=4 121 B13R1.711 COC(C)(OC)C1=CC(=CC=C1)Br L446645 [1,2,0,0,0,0|1,0,0]=4 122 B13R1.38 C(=O)C1=CC=C(C=C1O)C(C)(C)C CDS004791 [1,2,0,0,0,0|0,0,1]=4 123 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)Cl PH015945 [1,2,0,0,0,0|1,0,0]=4 124 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)CN)O PH015922 [1,2,0,0,0,0|0,0,1]=4 125 B13R1.50 CC(C)(C)C1=CC(=C(C=C1)O)CN PH008833 [1,2,0,0,0,0|1,0,0]=4 126 B13R1.50 COC1=CC(=CC=C1O)C(C)(C)C T287008 [1,2,0,0,0,0|0,0,1]=4 127 B13R1.7922 CC(C)(C)C1=CC(=C(C(=C1)Br)O)Br PH002079 [1,2,0,0,0,0|1,0,0]=4 128 B13R1.7922 CC(C)(C)C1=CC(=C(C(=C1)Cl)O)Cl PH007149 [1,2,0,0,0,0|1,0,0]=4 129 B13R1.7922 CC(C)(C)C1=CC(=C(C(=C1)N)O)Cl R703214 [1,2,0,0,0,0|1,0,0]=4 130 B13R1.57 CCC1=CC(=CC(=C1)C)C(C)(C)C S373214 [1,2,0,0,0,0|1,0,0]=4 131 B13R1.345 CC(C)(C)C1=CC=CC(=C1)B(O)O CDS020036 [1,2,0,0,0,0|0,0,1]=4 132 B13R1.345 CC(C)(C)C1=CC=CC(=C1)[N+](=O)[O-] S509167 [1,2,0,0,0,0|0,0,0]=3 133 B13R1.345 CC(C)(O)C1=CC=CC(=C1)C(=O)O PH017372 [1,2,0,0,0,0|1,0,0]=4 134 B13R1.651 CC1=C(C=C(C(=C1)O)C(C)C)N=O S953520 [1,2,0,0,0,0|0,0,1]=4 135 B15R1.25 COC1=CC=C(C=C1C(C)(C)C)C(=O)C PH010427 [0,3,0,0,0,0|0,0,1]=4 136 B15R1.25457 CC1=CC(=CC(=C1O)C(C)(C)C)C(=O)O S506907 [0,3,0,0,0,0|0,0,1]=4 137 B15R1.60815 CC1=C(C(=O)C(=C(C1=O)Cl)C(C)(C)C)Cl R166405 [0,3,0,0,0,0|0,0,0]=3 138 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [2,0,0,1,0,0|1,0,0]=4 139 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [2,0,0,1,0,0|1,0,0]=4 140 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [2,0,0,1,0,0|1,0,0]=4 141 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [2,0,0,1,0,0|1,0,0]=4 142 B13R2.3108 CC1(CNC2=C1C=CC(=C2)N)C CVT00129 [1,1,0,1,0,0|1,0,0]=4 143 B13R2.100 NCC1(CC1)C2=CC(=CC=C2)Br BBO000497 [1,1,0,1,0,0|1,0,0]=4 144 B13R2.100 NCC1(CC1)C2=CC(=CC=C2)Cl BBO000498 [1,1,0,1,0,0|1,0,0]=4 145 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [1,1,0,1,0,0|0,0,1]=4 146 B15R2.13973 CC1(CC(=O)NC2=CC=C(C=C12)F)C CDS021211 [0,2,0,1,0,0|1,0,0]=4 147 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [2,0,0,0,0,1|1,0,0]=4