0 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|1,1,0]=3 47 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|0,0,1]=2 49 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|0,1,0]=2 51 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|1,1,0]=3 59 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|0,1,0]=2 80 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|2,1,0]=4 81 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|2,1,0]=4 82 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,1,0,0,0,0|0,0,0]=1 126 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,1,0,0,0,0|1,1,0]=3 140 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,0|1,0,1]=3 146 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [0,1,0,0,0,0|1,1,0]=3 155 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.34 [O-][N+]1=CC(=CC(=C1)Br)Br S877360 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|1,1,0]=3 171 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,1,0,0,0,0|1,0,1]=3 210 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,1,0,0,0,0|1,1,0]=3 223 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,1,0,0,0,0|1,1,0]=3 224 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,1,0,0,0,0|1,1,0]=3 226 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,0|1,0,1]=3 246 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,1,0,0,0,0|2,1,0]=4 249 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,0,0,0|1,0,0]=2 251 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,0,0,0|1,0,0]=2 260 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 OC1=NN=C(C(=N1)O)Br R688568 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,1,0,0,0|1,0,2]=4 270 B7R0.7 C=CCC(O)/C=C\C S505013 [0,0,1,0,0,0|1,0,2]=4 271 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,1,0|3,0,0]=4 272 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,1,0|3,0,0]=4 273 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,1,0|1,0,2]=4 274 B7R1.2 OC1C=CC(C1)O S779164 [0,0,0,0,1,0|0,0,3]=4 275 B7R1.4 IC1=CSC=C1I R254975 [0,0,0,0,1,0|3,0,0]=4 276 B7R1.4 OC1C=CCC1O PH007055 [0,0,0,0,1,0|0,0,3]=4 277 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 278 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.2 C1(C=CCC=C1)CO T175528 [1,1,0,0,0,0|0,0,2]=4 282 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,1,0,0,0,0|0,0,1]=3 290 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,1,0,0,0,0|0,1,0]=3 292 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|0,1,0]=3 304 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|0,1,0]=3 311 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|0,0,0]=2 314 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|1,0,1]=4 318 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,1,0|2,0,0]=4 326 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|1,0,0]=3 333 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|0,0,0]=2 336 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,2,0,0,0,0|0,0,1]=3 346 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,2,0,0,0,0|1,0,1]=4 347 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,2,0,0,0,0|0,0,1]=3 348 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.2 OCC1=CC=NC(=C1F)Cl MNO000071 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|1,1,0]=4 360 B10R1.8 N#CC1=CC(=CC(=C1)Br)F CDS003867 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.8 N#CC1=CC(=CC(=C1)F)N CDS010984 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [0,2,0,0,0,0|1,0,1]=4 364 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|1,0,0]=3 365 B10R1.8 OCC1=CC(=NC(=C1)Cl)Cl MNO000193 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|1,1,0]=4 376 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|1,1,0]=4 379 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,2,0,0,0,0|1,0,0]=3 390 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|0,0,1]=3 419 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|1,1,0]=4 420 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|1,0,1]=4 426 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,2,0,0,0,0|1,1,0]=4 446 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,2,0,0,0,0|1,0,1]=4 471 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.113 OB(O)C1=CC=CC(=N1)Cl CDS022634 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.172 C#CC1=CC=CC(=C1)C#N PH000486 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|1,1,0]=4 486 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|1,1,0]=4 487 B10R1.172 N#CC1=NC(=CC=C1)CO CDS022444 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|1,0,1]=4 491 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|0,0,0]=2 506 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|0,1,0]=3 507 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|1,1,0]=4 508 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|1,1,0]=4 509 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|0,1,0]=3 510 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|1,1,0]=4 514 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,2,0,0,0,0|0,0,0]=2 534 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,2,0,0,0,0|1,0,1]=4 544 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,2,0,0,0,0|1,0,1]=4 545 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.22 CC1=NC(=C(C(=N1)O)Br)O S216925 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.22 NC1=NC(=NC(=C1N)O)O S765945 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,2,0,0,0,0|1,0,1]=4 641 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,1,1,0,0|2,0,0]=4 656 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,1,1,0,0|1,1,0]=4 657 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,1,1,0,0|1,0,0]=3 658 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|1,0,1]=4 659 B8R1.8 ON=CC1=CC=CS1 S551848 [0,0,1,1,0,0|1,1,0]=4 660 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 661 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|2,0,0]=4 662 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 663 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 664 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4