0 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 CC1=NC=CN=C1S PH014228 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|1,1,0]=3 74 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,1,0,0,0,0|0,0,0]=1 93 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.2 OC1=NC=NC(=C1F)CCl S217328 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.2 OC1=NC=NC(=C1F)CF S217018 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.2 OCC1=CC=NC(=C1F)Cl MNO000071 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,1,0,0,0,0|2,1,0]=4 194 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.277 CC1=CC=CC(C(=O)N1)C T161365 [0,0,0,0,0,1|1,0,2]=4 199 B7R0.5 C=CCC(O)C(=C)C S881163 [1,0,1,0,0,0|0,0,2]=4 200 B7R0.10 C=CC(C)C(O)C=C T288918 [1,0,1,0,0,0|0,0,2]=4 201 B7R0.3 C=C/C=C/C(C)C=C S418986 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.7 C=CCC(O)/C=C\C S505013 [1,0,1,0,0,0|0,0,2]=4 203 B7R0.4 C/C=C/C=C\C(C)O T211419 [1,0,1,0,0,0|0,0,2]=4 204 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 205 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 206 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 207 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 208 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,1]=4 209 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,1]=4 210 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,1]=4 211 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,0]=3 212 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 213 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 214 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,1,0]=3 215 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|0,0,1]=3 219 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,1,0]=3 221 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|0,0,0]=2 239 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|0,0,0]=2 244 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [1,1,0,0,0,0|1,1,0]=4 264 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [1,1,0,0,0,0|1,1,0]=4 270 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,1,0,0,0,0|0,0,0]=2 279 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,1,0,0,0,0|0,1,0]=3 280 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,1,0,0,0,0|1,1,0]=4 320 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,1,0,0,0,0|1,1,0]=4 321 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,1,0,0,0,0|1,1,0]=4 322 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|0,0,2]=4 342 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|0,0,1]=3 344 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|1,0,1]=4 351 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.15 COC1=C(CC=CC1)C S864811 [1,1,0,0,0,0|0,0,2]=4 357 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|0,0,0]=2 366 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,2,0,0,0,0|0,0,1]=3 374 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.8 NCC1=C(C(=CC(=C1)F)F)F CDS002986 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.13 CC1=C(C(=CC=C1)N=C=S)C TMT00526 [0,2,0,0,0,0|1,1,0]=4 380 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.72 CC1=CC=C(C(=C1Cl)CBr)F CDS021694 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.72 CC1=CC=C(C(=C1F)CBr)F CDS001777 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.72 CC1=CC=C(C(=C1F)CN)F CDS001922 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,2,0,0,0,0|0,0,0]=2 391 B11R1.72 COC1=C(C(=CN=C1Br)I)O ADE000157 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.72 N#CC1=C(C=CC(=C1Cl)O)F PH017310 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.72 NCC1=C(C(=CC=C1F)F)F CDS002581 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.72 NCC1=C(C=CC(=C1F)Cl)F CDS010757 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.72 O=CC1=C(C(=CC=C1F)O)F CDS012447 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.72 OCC1=C(C(=CC=C1Cl)Br)F CDS024342 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.159 CC1=C(C=CC=C1B(O)O)Cl CDS006288 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.159 CN1C=CC=C(C1=O)B(O)O CDS021416 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.159 OB(O)C1=CC=CC(=C1Cl)F CDS011895 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.159 OB(O)C1=CC=CC(=C1F)O CDS022372 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [0,2,0,0,0,0|0,0,1]=3 420 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.265 COC1=CC=NC(=C1OC)Cl MNO000125 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.265 COC1=CN=CC(=C1OC)N ADE000479 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|0,0,1]=3 433 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.278 COC1=C(C(=C(C=C1)Cl)Cl)Cl R279021 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|0,0,0]=2 438 B11R1.278 NCC1=C(C(=C(C=C1)F)F)F CDS002894 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.278 OCC1=CC=C(C(=C1F)F)F CDS003044 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N CDS021998 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.14 CSC1=NC(=C(C(=N1)O)O)C R262862 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [0,2,0,0,0,0|1,0,0]=3 448 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,2,0,0,0,0|1,0,1]=4 454 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.32 CC1=CC(=C(C(=C1Br)C)Br)C S407445 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,2,0,0,0,0|1,0,1]=4 460 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,2,0,0,0,0|1,0,1]=4 461 B11R1.32 OC1=C(C(=C(C=C1Cl)Br)Cl)Cl PH005340 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Br)Cl PH005339 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl S418676 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,2,0,0,0,0|1,0,1]=4 465 B11R1.464 CC1=C(C(=NC(=N1)O)O)CO R434728 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.464 CC1=CC(=C(C(=C1)C)C#N)C S445924 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.464 CC1=CC(=C(C(=C1)C)[Hg]Cl)C S880779 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.464 COC1=C(C=C(N=C1Br)I)O ADE001318 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.156 CC1=CC=NC(=C1B(O)O)F CDS022496 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.156 CC1=CN=CC(=C1B(O)O)F CDS022459 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|1,0,1]=4 487 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.156 OB(O)C1=C(C=CC=C1Cl)Cl CDS003181 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,2,0,0,0,0|1,0,1]=4 492 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.605 CC1=CC=CC(=C1N=C=S)Cl PH011374 [0,2,0,0,0,0|1,1,0]=4 494 B11R1.605 CC1=NC=NC(=C1CCO)O S215600 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.605 ON=CC1=C(C=CC=C1Cl)Cl S531391 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,1,1,0,0|2,0,0]=4 500 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,0,1,1,0,0|2,0,0]=4 501 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,1,1,0,0|2,0,0]=4 502 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,1,1,0,0|0,0,2]=4 503 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,0,1,1,0,0|1,0,1]=4 504 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,1,0,0|1,0,1]=4 505 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,1,0,0|2,0,0]=4 506 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,1,0,0|2,0,0]=4 507 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,1,0,1,0,0|1,1,0]=4 508 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,1,0,0|1,0,1]=4 509 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,1,0,0|1,0,1]=4 510 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,1,0,0|1,0,1]=4 511 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,1,0,0|1,1,0]=4