0 B8R1.2 BrCC1=CC=CN=N1 CS15758 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.2 BrCC1=CN=CN=C1 CS17938 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 BrCC1=NC=CC=N1 MC110628 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 BrCC1=NC=CN=C1 MC115921 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 Br[Mg]c1cccnc1 MC121318 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 Br[Zn]c1ccccn1 MC121328 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 Br[Zn]c1cccnc1 MC121329 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 Br[Zn]c1cncnc1 MC121339 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 Br[Zn]c1ncccn1 MC116064 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 C#CC1=CC=CC=C1 CS19127 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 C#CC1=CC=CN=N1 MC102367 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 C#CC1=CN=CN=C1 CS12636 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.2 C#CC1=NC=CC=C1 CS21539 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.2 C#CC1=NC=CC=N1 CS12611 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 C#CC1=NC=CN=C1 MC104763 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 CNC1=CC=CC=C1 CS11792 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 CNC1=CC=CN=C1 CS13856 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 CNC1=CC=NC=C1 MC41620 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 COC1=CC=CC=C1 MC41309 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.2 COC1=CC=CN=C1 CS22348 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.2 COC1=CC=CN=N1 CS22347 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 COC1=CC=NC=C1 CS19206 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 COC1=CN=CN=C1 MC428182 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 COC1=CN=NC=C1 MC427243 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 COC1=NC=CC=C1 CS18780 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.2 COC1=NC=CN=C1 CS17887 [0,0,0,0,0,0|0,0,0]=0 29 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,0,0,0,0,0|1,1,0]=2 31 B8R1.2 ClCC1=CC=CN=C1 CS19291 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 ClCC1=CC=CN=N1 CS16004 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 ClCC1=CC=CN=N1 MC112985 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 ClCC1=CN=CN=C1 MC444367 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 ClCC1=NC=CC=C1 CS19289 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 ClCC1=NC=CC=N1 CS20902 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 ClCC1=NC=CN=C1 MC444156 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.2 ICC1=CC=CC=C1 CS11000 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 ICC1=CC=CN=C1 MC430640 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.2 I[Zn]c1ccccc1 MC121332 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 N#CC1=CC=CC=C1 MC40623 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.2 N#CC1=CC=CN=N1 MC444570 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.2 N#CC1=CN=CC=C1 CS22263 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 N#CC1=CN=CN=C1 CS14309 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 N#CC1=CN=NC=C1 MC444348 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 N#CC1=NC=CC=C1 CS19642 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 N#CC1=NC=CC=N1 CS17385 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 N#CC1=NC=CN=C1 CS17380 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.2 N#CC1=NC=NC=C1 CS12430 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.2 N#Cc1ccccc1 CS13696 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.2 NCC1=CC=CC=C1 MC40797 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.2 NCC1=CC=CN=C1 CS14226 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 NCC1=CC=CN=N1 MC444234 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.2 NCC1=CN=CN=C1 MC444384 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.2 NCC1=CN=NC=C1 CS15014 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.2 NCC1=CN=NC=C1 CS15515 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.2 NCC1=CN=NC=C1 MC444324 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.2 NCC1=NC=CC=N1 CS21304 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.2 NCC1=NC=CC=N1 MC425460 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.2 NCC1=NC=CN=C1 CS19691 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.2 NCC1=NC=CN=C1 CS20245 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.2 NCC1=NC=NC=C1 MC444325 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.2 NNC1=CC=CC=C1 CS15210 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.2 NNC1=CC=CC=C1 MC427075 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.2 NNC1=CC=CN=C1 CS15491 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.2 NNC1=CC=CN=C1 CS22308 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.2 NNC1=CN=CN=C1 MC104575 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.2 NNC1=NC=CC=C1 CS15589 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.2 NNC1=NC=CC=C1 CS21573 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.2 NNC1=NC=CC=N1 MC425172 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.2 NNC1=NC=CN=C1 MC444188 [0,0,0,0,0,0|2,0,0]=2 72 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.2 O=CC1=CN=CN=C1 CS19643 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.2 O=CC1=CN=NC=C1 MC444362 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.2 O=CC1=NC=CC=N1 MC444571 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.2 O=CC1=NC=CN=C1 CS18375 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.2 O=NC1=CC=CC=C1 MC33163 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.2 OCC1=CN=CN=C1 MC444370 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.2 OCC1=CN=NC=C1 MC444363 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.2 OCC1=NC=CC=N1 CS19924 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.2 OCC1=NC=CN=C1 CS21749 [0,0,0,0,0,0|2,0,0]=2 88 B8R1.2 OCC1=NC=NC=C1 CS11915 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.2 SCC1=NC=CN=C1 MC110936 [0,0,0,0,0,0|2,0,0]=2 90 B7R1.3 BrC1=CC=CC=C1 MC41456 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 BrC1=CC=CN=C1 CS19218 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 BrC1=CN=CN=C1 CS22560 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 BrC1=CN=NC=C1 MC427110 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 BrC1=NC=CC=C1 CS17815 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 BrC1=NC=CC=N1 CS13369 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.3 BrC1=NC=CN=C1 CS15000 [1,0,0,0,0,0|1,0,0]=2 97 B7R1.3 BrC1=NC=NC=C1 MC106563 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 CC1=CC=CN=C1 MC107850 [1,0,0,0,0,0|1,0,0]=2 99 B7R1.3 CC1=CC=CN=N1 CS22374 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.3 CC1=CC=NC=C1 MC31239 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 CC1=CC=NC=C1 MC41625 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 CC1=CN=CN=C1 CS18851 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.3 CC1=CN=NC=C1 CS22983 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.3 CC1=NC=CC=C1 MC41623 [1,0,0,0,0,0|1,0,0]=2 105 B7R1.3 CC1=NC=NC=C1 CS19795 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 C[N+]1=CC=CC=C1 CS17683 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.3 ClC1=CC=CC=C1 MC41469 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 ClC1=CC=CN=N1 MC444264 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.3 ClC1=CN=CN=C1 CS15471 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 ClC1=CN=NC=C1 MC427202 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.3 ClC1=NC=CC=C1 MC20672 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.3 ClC1=NC=CC=N1 MC10446 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.3 ClC1=NC=CN=C1 CS15454 [1,0,0,0,0,0|1,0,0]=2 114 B7R1.3 ClC1=NC=NC=C1 MC444346 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 FC1=CC=CC=C1 MC41489 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 FC1=CC=CN=C1 MC20006 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.3 FC1=NC=CC=C1 MC20005 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.3 FC1=NC=CC=N1 MC429402 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.3 FC1=NC=CN=C1 MC33147 [1,0,0,0,0,0|1,0,0]=2 120 B7R1.3 IC1=CC=CC=C1 CS19958 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.3 IC1=CN=CN=C1 CS12325 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.3 IC1=NC=CC=C1 CS14565 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.3 IC1=NC=CC=N1 CS14968 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.3 IC1=NC=CN=C1 MC425096 [1,0,0,0,0,0|1,0,0]=2 125 B7R1.3 IC1=NC=NC=C1 MC442584 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.3 NC1=CC=CC=C1 MC40851 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.3 NC1=CC=CN=C1 CS19073 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.3 NC1=CC=CN=N1 CS18539 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.3 NC1=CC=CN=N1 CS19775 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.3 NC1=CN=CN=C1 CS18383 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 NC1=CN=NC=C1 CS18154 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.3 NC1=NC=CC=C1 MC41600 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.3 NC1=NC=CC=N1 CS13370 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 NC1=NC=CN=C1 CS16102 [1,0,0,0,0,0|1,0,0]=2 135 B7R1.3 NC1=NC=NC=C1 CS19707 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.3 O=C1C=CC=CN1 CS18724 [1,0,0,0,0,0|1,0,2]=4 137 B7R1.3 O=C1C=CC=NN1 CS19793 [1,0,0,0,0,0|2,0,1]=4 138 B7R1.3 O=C1C=CNN=C1 MC427203 [1,0,0,0,0,0|2,0,1]=4 139 B7R1.3 OC1=CC=CC=C1 MC41210 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.3 OC1=CC=CN=C1 CS17813 [1,0,0,0,0,0|1,0,0]=2 141 B7R1.3 OC1=CC=NC=C1 CS19216 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.3 OC1=CN=CN=C1 CS10407 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.3 OC1=CN=NC=C1 CS17666 [1,0,0,0,0,0|2,0,0]=3 144 B7R1.3 OC1=NC=CC=C1 CS21602 [1,0,0,0,0,0|1,0,0]=2 145 B7R1.3 OC1=NC=CC=N1 CS14246 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 OC1=NC=CC=N1 CS16090 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.3 OC1=NC=CC=N1 MC41651 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.3 OC1=NC=CN=C1 CS21601 [1,0,0,0,0,0|0,0,0]=1 149 B7R1.3 OC1=NC=NC=C1 CS15728 [1,0,0,0,0,0|2,0,0]=3 150 B7R1.3 PC1=CC=CC=C1 MC444841 [1,0,0,0,0,0|3,0,0]=4 151 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [1,0,0,0,0,0|2,1,0]=4 152 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.1 C#CC1=CN=C(O)C=C1 CS16476 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.1 C#CC1=NC=C(Br)C=C1 CS18607 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.1 C#CC1=NC=C(F)C=C1 CS19540 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.1 CCC1=CN=C(Cl)N=C1 MC444395 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.1 CCC1=CN=C(N)N=C1 CS14255 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.1 CNC1=CC=C(Cl)N=N1 CS10696 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.1 COC1=CC=C(Br)N=N1 CS14617 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.1 COC1=CC=C(Cl)N=N1 CS17689 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.1 COC1=CC=C(N)N=N1 CS22091 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.1 COC1=CN=C(Br)C=N1 CS21377 [0,1,0,0,0,0|0,0,0]=1 202 B9R1.1 COC1=CN=C(Br)N=C1 MC444175 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.1 COC1=CN=C(Cl)C=N1 CS14927 [0,1,0,0,0,0|0,0,0]=1 204 B9R1.1 COC1=CN=C(Cl)N=C1 CS21468 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.1 COC1=CN=C(N)C=N1 CS19706 [0,1,0,0,0,0|0,0,0]=1 208 B9R1.1 COC1=CN=C(N)N=C1 CS12998 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.1 COC1=NC=C(Br)C=N1 CS17652 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [0,1,0,0,0,0|1,0,0]=2 215 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [0,1,0,0,0,0|1,0,0]=2 216 B9R1.1 COC1=NC=C(N)C=N1 CS21652 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [0,1,0,0,0,0|2,1,0]=4 218 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [0,1,0,0,0,0|1,1,0]=3 219 B9R1.1 CSC1=NC=C(Br)C=N1 CS18002 [0,1,0,0,0,0|2,1,0]=4 220 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [0,1,0,0,0,0|2,1,0]=4 221 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.1 N#CC1=CC=C(N)C=N1 CS19137 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.1 N#CC1=CN=C(Br)C=C1 CS21835 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.1 N#CC1=CN=C(Cl)C=C1 CS21850 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 N#CC1=CN=C(F)C=C1 CS19603 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.1 N#CC1=CN=C(N)C=C1 CS22991 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.1 N#CC1=CN=C(N)C=N1 CS17828 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.1 N#CC1=CN=C(O)C=C1 CS22258 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.1 N#CC1=CN=C(O)C=C1 MC427585 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.1 N#CC1=NC=C(Br)C=C1 CS22025 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.1 N#CC1=NC=C(Cl)C=C1 CS22045 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.1 N#CC1=NC=C(Cl)N=C1 CS12402 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.1 N#CC1=NC=C(F)C=C1 CS12291 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.1 N#CC1=NC=C(O)C=C1 MC429663 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.1 NNC1=CC=C(F)N=C1 MC102980 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.1 NNC1=NC=C(Br)C=C1 CS19995 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.1 NNC1=NC=C(Cl)C=C1 CS20219 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.1 NNC1=NC=C(F)C=C1 CS17301 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.1 NNC1=NC=C(I)C=C1 MC432010 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.1 OCC1=NC=C(Cl)N=C1 CS14569 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.2 C#CC1=CC=CC(Cl)=N1 MC107226 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.2 C#CC1=CN=CC(Br)=C1 MC106555 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,1,0,0,0,0|2,0,1]=4 272 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.2 CCC1=CC=C[N+]([O-])=C1 MC427174 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.2 CNC1=CC(Br)=CN=C1 MC443556 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.2 CNC1=NC=NC(Cl)=C1 CS19244 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.2 COC1=CC(Br)=NC=C1 CS16230 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.2 COC1=CC(Br)=NC=N1 MC441213 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.2 COC1=CC(Cl)=NC=C1 CS19311 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.2 COC1=CC(Cl)=NC=N1 CS17690 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.2 COC1=CC(I)=NC=N1 CS17505 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.2 COC1=CC(N)=NC=C1 CS19522 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.2 COC1=CC(N)=NC=N1 CS18114 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [0,1,0,0,0,0|1,0,0]=2 318 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [0,1,0,0,0,0|1,0,0]=2 320 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [0,1,0,0,0,0|1,0,0]=2 322 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [0,1,0,0,0,0|1,0,0]=2 323 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [0,1,0,0,0,0|1,0,0]=2 325 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [0,1,0,0,0,0|1,0,0]=2 327 B9R1.2 COC1=CC=C[N+]([O-])=C1 CS22349 [0,1,0,0,0,0|1,0,1]=3 328 B9R1.2 COC1=CC=C[N+]([O-])=N1 MC427261 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.2 COC1=CN=CC(Br)=C1 MC427397 [0,1,0,0,0,0|1,0,0]=2 330 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [0,1,0,0,0,0|0,0,0]=1 331 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [0,1,0,0,0,0|0,0,0]=1 332 B9R1.2 COC1=CN=CC(N)=C1 CS19973 [0,1,0,0,0,0|1,0,0]=2 333 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [0,1,0,0,0,0|0,0,0]=1 334 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.2 COC1=CN=NC(Cl)=C1 CS22227 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,1,0,0,0,0|2,0,0]=3 339 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,1,0,0,0,0|1,0,0]=2 345 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [0,1,0,0,0,0|1,0,0]=2 346 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [0,1,0,0,0,0|1,0,0]=2 347 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [0,1,0,0,0,0|1,0,0]=2 349 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [0,1,0,0,0,0|2,0,0]=3 350 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [0,1,0,0,0,0|1,0,0]=2 351 B9R1.2 CSC1=CC(Cl)=NC=N1 CS12488 [0,1,0,0,0,0|2,1,0]=4 352 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [0,1,0,0,0,0|2,1,0]=4 353 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [0,1,0,0,0,0|1,1,0]=3 354 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [0,1,0,0,0,0|2,1,0]=4 355 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [0,1,0,0,0,0|2,1,0]=4 356 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [0,1,0,0,0,0|2,1,0]=4 357 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [0,1,0,0,0,0|1,1,0]=3 358 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [0,1,0,0,0,0|2,1,0]=4 359 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [0,1,0,0,0,0|2,1,0]=4 360 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,1,0,0,0,0|2,1,0]=4 361 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.2 ClC1=CN=CC(CBr)=C1 MC107431 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.2 ClCC1=CN=CC(Br)=C1 MC425679 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.2 N#CC1=CN=CC(Br)=C1 CS18667 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.2 N#CC1=CN=CC(Cl)=C1 MC41604 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.2 N#CC1=CN=CC(F)=C1 MC441308 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.2 N#CC1=CN=CC(O)=C1 CS18755 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.2 N#CC1=NC(Br)=CN=C1 CS12208 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.2 N#CC1=NC(Cl)=CC=C1 CS14156 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.2 N#CC1=NC(Cl)=CN=C1 CS19986 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.2 N#CC1=NC(F)=CC=C1 CS21512 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.2 N#CC1=NC(F)=CN=C1 MC430096 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.2 N#CC1=NC(N)=CC=C1 MC425282 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.2 N#CC1=NC(N)=CN=C1 CS12200 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.2 N#CC1=NC=CC(Br)=C1 CS18399 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.2 N#CC1=NC=CC(Cl)=C1 CS18109 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.2 N#CC1=NC=CC(O)=C1 MC443349 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.2 NC1=CN=CC(CO)=C1 CS22079 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.2 NCC1=CC(Br)=CN=C1 MC106753 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.2 NCC1=CC(F)=CN=C1 MC431591 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.2 NCC1=CN=CC(N)=C1 MC33458 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.2 NNC1=CC=CC(Cl)=N1 CS21479 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.2 NNC1=NC=CC(F)=C1 MC115508 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.2 OCC1=CC(Br)=CN=C1 CS18272 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.2 OCC1=CC(F)=CN=C1 MC430713 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,1,0,0,0,0|1,0,0]=2 423 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,1,0,0,0,0|2,0,0]=3 434 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,1,0,0,0,0|1,0,0]=2 436 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,1,0,0,0,0|2,0,0]=3 439 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,1,0,0,0,0|2,0,0]=3 440 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.6 CN(C)C1=CN=CN=C1 MC442270 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,1,0,0,0,0|2,0,0]=3 454 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.8 CCCC1=CC=CN=C1 CS22402 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.8 CCNC1=CC=CC=C1 MC40913 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.8 CCOC1=NC=CC=C1 CS18732 [0,1,0,0,0,0|1,0,0]=2 461 B9R1.8 CCOC1=NC=CN=C1 CS21524 [0,1,0,0,0,0|0,0,0]=1 462 B9R1.8 CNCC1=CC=CC=C1 MC10559 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.8 CNCC1=CC=CC=C1 MC20323 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.8 CNCC1=CC=CC=C1 MC21006 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.8 CNCC1=CC=CN=C1 CS18846 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.8 CNCC1=CN=CN=C1 MC103834 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.8 COCC1=NC=CC=C1 CS20909 [0,1,0,0,0,0|1,0,0]=2 468 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.8 FCCC1=CC=CC=C1 MC41557 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [0,1,0,0,0,0|2,0,1]=4 471 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [0,1,0,0,0,0|2,0,1]=4 472 B9R1.8 NCCC1=CC=CC=C1 MC40983 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.8 NCCC1=CC=CN=C1 CS21892 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.8 NCCC1=NC=CC=C1 CS14064 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.8 NCCC1=NC=NC=C1 MC104796 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.8 NNCC1=CC=CN=C1 MC111189 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.8 NNCC1=CC=CN=C1 MC111240 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.8 NNCC1=NC=CC=C1 MC111239 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.8 NNCC1=NC=CN=C1 MC105289 [0,1,0,0,0,0|2,0,0]=3 480 B9R1.8 NOCC1=CC=CC=C1 CS14063 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [0,1,0,0,0,0|2,0,1]=4 482 B9R1.8 O=COC1=CC=CC=C1 MC40136 [0,1,0,0,0,0|2,0,1]=4 483 B9R1.8 O=NNC1=NC=CN=C1 MC34139 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.8 OCCC1=CC=CC=C1 MC40745 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.8 OCCC1=CN=CN=C1 CS12401 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.8 S=C=NC1=CC=CN=C1 MC41635 [0,1,0,0,0,0|2,0,1]=4 487 B9R1.15 C#CC1=CC=CN=C1N MC103217 [0,1,0,0,0,0|2,0,1]=4 488 B9R1.15 C#CC1=CC=CN=C1O MC102702 [0,1,0,0,0,0|2,0,1]=4 489 B9R1.15 C#CC1=NC=CN=C1N MC113209 [0,1,0,0,0,0|1,0,1]=3 490 B9R1.15 C=CC1=CC=CN=C1N MC103094 [0,1,0,0,0,0|2,0,1]=4 491 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.15 CC1=CC=CN=C1C#N CS20234 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.15 CC1=CC=CN=C1C=O CS14987 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.15 CC1=CC=CN=C1CCl CS15725 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.15 CC1=CC=CN=C1CO CS19225 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.15 CC1=CC=NC=C1C#N CS22253 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.15 CC1=CC=NC=C1C=O MC442433 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.15 CC1=NC=CC=C1CCl MC104832 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.15 CC1=NC=CC=C1CN MC102930 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.15 CC1=NC=CC=C1CO CS20145 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.15 CC1=NC=CN=C1CCl MC104771 [0,1,0,0,0,0|2,0,0]=3 505 B9R1.15 CC1=NC=CN=C1CN MC103464 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.15 CC1=NC=CN=C1NN MC111198 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.15 CCC1=NC=CC=C1Br MC105746 [0,1,0,0,0,0|2,0,0]=3 512 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [0,1,0,0,0,0|1,0,0]=2 513 B9R1.15 CCC1=NC=NC=C1F CS19573 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.15 CNC1=CC=CC=C1N CS22302 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.15 CNC1=NC=CC=C1Br CS17281 [0,1,0,0,0,0|2,0,0]=3 518 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.15 CNC1=NC=CC=C1N MC427393 [0,1,0,0,0,0|2,0,0]=3 520 B9R1.15 CNC1=NC=NC=C1Br MC425769 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [0,1,0,0,0,0|2,0,0]=3 522 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [0,1,0,0,0,0|1,0,0]=2 523 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [0,1,0,0,0,0|1,0,0]=2 525 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [0,1,0,0,0,0|1,0,0]=2 527 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [0,1,0,0,0,0|2,0,0]=3 528 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [0,1,0,0,0,0|2,0,0]=3 530 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [0,1,0,0,0,0|1,0,0]=2 531 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [0,1,0,0,0,0|2,0,0]=3 533 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [0,1,0,0,0,0|1,0,0]=2 534 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [0,1,0,0,0,0|1,0,0]=2 537 B9R1.15 COC1=CC=CN=C1Br CS19255 [0,1,0,0,0,0|1,0,0]=2 538 B9R1.15 COC1=CC=CN=C1Cl CS19305 [0,1,0,0,0,0|1,0,0]=2 539 B9R1.15 COC1=CC=CN=C1F CS13044 [0,1,0,0,0,0|1,0,0]=2 540 B9R1.15 COC1=CC=CN=C1N CS17216 [0,1,0,0,0,0|1,0,0]=2 541 B9R1.15 COC1=CN=CN=C1Br CS17880 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.15 COC1=CN=CN=C1N CS13116 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.15 COC1=CN=CN=C1O MC432213 [0,1,0,0,0,0|2,0,0]=3 544 B9R1.15 COC1=NC=CC=C1Br CS19258 [0,1,0,0,0,0|1,0,0]=2 545 B9R1.15 COC1=NC=CC=C1C MC33438 [0,1,0,0,0,0|1,0,0]=2 546 B9R1.15 COC1=NC=CC=C1Cl CS18705 [0,1,0,0,0,0|1,0,0]=2 547 B9R1.15 COC1=NC=CC=C1F CS19564 [0,1,0,0,0,0|1,0,0]=2 548 B9R1.15 COC1=NC=CC=C1I CS13512 [0,1,0,0,0,0|1,0,0]=2 549 B9R1.15 COC1=NC=CC=C1N CS19526 [0,1,0,0,0,0|1,0,0]=2 550 B9R1.15 COC1=NC=CN=C1Br CS12288 [0,1,0,0,0,0|0,0,0]=1 551 B9R1.15 COC1=NC=CN=C1Cl CS14291 [0,1,0,0,0,0|0,0,0]=1 552 B9R1.15 COC1=NC=CN=C1N MC441119 [0,1,0,0,0,0|0,0,0]=1 553 B9R1.15 CSC1=C(Br)C=CN=C1 MC430535 [0,1,0,0,0,0|1,1,0]=3 554 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [0,1,0,0,0,0|2,1,0]=4 555 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.15 FC1=CC=CN=C1CBr MC430869 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.15 FC1=CC=CN=C1CCl MC425766 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.15 FC1=NC=CC=C1CBr MC430634 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.15 FC1=NC=CC=C1CCl MC429652 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.15 N#CC1=C(Cl)N=CC=C1 CS18689 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.15 N#CC1=C(I)C=CN=C1 MC113305 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.15 N#CC1=C(I)N=CC=C1 MC443234 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.15 N#CC1=CC=CN=C1Br CS14990 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.15 N#CC1=CC=CN=C1F CS18726 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.15 N#CC1=CC=CN=C1N CS22990 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.15 N#CC1=CC=CN=C1O CS13920 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.15 N#CC1=CN=CC=C1Br CS13752 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.15 N#CC1=CN=CC=C1Cl CS16226 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.15 N#CC1=CN=CC=C1O MC106630 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.15 N#CC1=NC=CC=C1Br CS14847 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.15 N#CC1=NC=CC=C1Cl CS18276 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.15 N#CC1=NC=CC=C1F CS20013 [0,1,0,0,0,0|3,0,0]=4 574 B9R1.15 N#CC1=NC=CC=C1I CS12161 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.15 N#CC1=NC=CC=C1O CS21861 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.15 N#CC1=NC=CN=C1Br MC443142 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.15 N#CC1=NC=CN=C1Cl CS22668 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.15 N#CC1=NC=CN=C1N CS22107 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.15 NC1=C(C=O)C=CC=N1 CS19340 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.15 NC1=CC=NC=C1C=O CS19349 [0,1,0,0,0,0|3,0,0]=4 581 B9R1.15 NC1=NC=CC=C1CO CS13983 [0,1,0,0,0,0|3,0,0]=4 582 B9R1.15 NC1=NC=CN=C1C=O CS13122 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [0,1,0,0,0,0|3,0,0]=4 584 B9R1.15 NCC1=NC=CC=C1F MC104008 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.15 NCC1=NC=CC=C1O MC443567 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.15 NNC1=NC=CC=C1Cl CS20171 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.15 O=CC1=C(Br)N=CC=C1 CS17915 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.15 O=CC1=C(Cl)C=CN=C1 MC425655 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.15 O=CC1=C(Cl)N=CC=C1 CS14208 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.15 O=CC1=C(F)N=CC=C1 CS18263 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.15 O=CC1=CN=CC=C1Br MC429512 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.15 O=CC1=CN=CC=C1O CS15926 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.15 O=CC1=NC=CC=C1Br MC442737 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.15 O=CC1=NC=CC=C1F CS14128 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.15 O=CC1=NC=CC=C1O MC443215 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.15 O=CC1=NC=CN=C1Cl MC103025 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.15 OCC1=C(Cl)C=CN=C1 CS17105 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.15 OCC1=CC=CN=C1F CS18697 [0,1,0,0,0,0|3,0,0]=4 603 B9R1.15 OCC1=NC=CC=C1Br MC431297 [0,1,0,0,0,0|3,0,0]=4 604 B9R1.15 OCC1=NC=CC=C1Br MC431298 [0,1,0,0,0,0|3,0,0]=4 605 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [0,1,0,0,0,0|3,0,0]=4 606 B9R1.15 OCC1=NC=CC=C1F MC430870 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.15 OCC1=NC=CC=C1O MC20200 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [0,1,0,0,0,0|2,0,0]=3 609 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [0,0,0,1,0,0|3,0,0]=4 610 B7R1.1 BrCC1=CC=CS1 MC111260 [0,0,0,0,1,0|3,0,0]=4 611 B7R1.1 BrCC1=CC=NO1 MC114075 [0,0,0,0,1,0|3,0,0]=4 612 B7R1.1 BrCC1=COC=C1 MC111404 [0,0,0,0,1,0|3,0,0]=4 613 B7R1.1 BrCC1=NC=CO1 MC106296 [0,0,0,0,1,0|3,0,0]=4 614 B7R1.1 BrCC1=NC=CS1 CS12090 [0,0,0,0,1,0|3,0,0]=4 615 B7R1.1 Br[Zn]c1cccs1 MC121347 [0,0,0,0,1,0|3,0,0]=4 616 B7R1.1 Br[Zn]c1nccs1 MC121340 [0,0,0,0,1,0|3,0,0]=4 617 B7R1.1 C=CN1C=CN=C1 MC20497 [0,0,0,0,1,0|2,0,1]=4 618 B7R1.1 CCC1=NC=CN1 CS21533 [0,0,0,0,1,0|1,0,1]=3 619 B7R1.1 CCN1C=CC=N1 CS20681 [0,0,0,0,1,0|2,0,0]=3 620 B7R1.1 CCN1C=NN=N1 MC445044 [0,0,0,0,1,0|3,0,0]=4 621 B7R1.1 CNC1=NC=CS1 CS12598 [0,0,0,0,1,0|2,0,0]=3 622 B7R1.1 COC1=CSC=C1 CS22351 [0,0,0,0,1,0|1,0,0]=2 623 B7R1.1 COC1=NC=CS1 CS22597 [0,0,0,0,1,0|1,0,0]=2 624 B7R1.1 COC1=NCCC1 CS10423 [0,0,0,0,1,0|0,0,3]=4 625 B7R1.1 CSC1=CNN=C1 MC445675 [0,0,0,0,1,0|1,1,0]=3 626 B7R1.1 CSC1=NC=CO1 CS17723 [0,0,0,0,1,0|1,1,0]=3 627 B7R1.1 CSC1=NN=NS1 MC112481 [0,0,0,0,1,0|2,1,0]=4 628 B7R1.1 ClCC1=CC=CO1 CS13429 [0,0,0,0,1,0|3,0,0]=4 629 B7R1.1 ClCC1=CN=CO1 MC105780 [0,0,0,0,1,0|3,0,0]=4 630 B7R1.1 ClCC1=CN=CO1 MC114644 [0,0,0,0,1,0|3,0,0]=4 631 B7R1.1 ClCC1=CN=CS1 CS16156 [0,0,0,0,1,0|3,0,0]=4 632 B7R1.1 ClCC1=COC=N1 MC113786 [0,0,0,0,1,0|3,0,0]=4 633 B7R1.1 ClCC1=NC=CN1 CS20896 [0,0,0,0,1,0|2,0,1]=4 634 B7R1.1 ClCC1=NC=NN1 MC116571 [0,0,0,0,1,0|3,0,0]=4 635 B7R1.1 ClCC1=NNC=C1 MC442276 [0,0,0,0,1,0|3,0,0]=4 636 B7R1.1 I[Zn]c1ccsc1 MC116065 [0,0,0,0,1,0|3,0,0]=4 637 B7R1.1 N#CC1=CC=CS1 CS22701 [0,0,0,0,1,0|3,0,0]=4 638 B7R1.1 N#CC1=CC=NO1 CS17495 [0,0,0,0,1,0|3,0,0]=4 639 B7R1.1 N#CC1=CN=CS1 CS12489 [0,0,0,0,1,0|3,0,0]=4 640 B7R1.1 N#CC1=CNC=N1 CS20707 [0,0,0,0,1,0|2,0,1]=4 641 B7R1.1 N#CC1=CNN=C1 CS17637 [0,0,0,0,1,0|3,0,0]=4 642 B7R1.1 N#CC1=CNN=C1 CS22809 [0,0,0,0,1,0|3,0,0]=4 643 B7R1.1 N#CC1=COC=N1 CS18363 [0,0,0,0,1,0|3,0,0]=4 644 B7R1.1 N#CC1=CSC=C1 CS17418 [0,0,0,0,1,0|3,0,0]=4 645 B7R1.1 N#CC1=NC=CS1 CS12219 [0,0,0,0,1,0|3,0,0]=4 646 B7R1.1 N#CC1=NC=NN1 CS22522 [0,0,0,0,1,0|3,0,0]=4 647 B7R1.1 N#CC1=NNC=C1 CS20722 [0,0,0,0,1,0|3,0,0]=4 648 B7R1.1 NCC1=CC=CN1 CS14874 [0,0,0,0,1,0|2,0,1]=4 649 B7R1.1 NCC1=CC=CO1 MC41689 [0,0,0,0,1,0|3,0,0]=4 650 B7R1.1 NCC1=CC=CS1 CS22783 [0,0,0,0,1,0|3,0,0]=4 651 B7R1.1 NCC1=CN=CO1 CS17502 [0,0,0,0,1,0|3,0,0]=4 652 B7R1.1 NCC1=CN=CO1 CS18508 [0,0,0,0,1,0|3,0,0]=4 653 B7R1.1 NCC1=CN=CO1 MC104477 [0,0,0,0,1,0|3,0,0]=4 654 B7R1.1 NCC1=CNC=N1 CS15263 [0,0,0,0,1,0|2,0,1]=4 655 B7R1.1 NCC1=CNC=N1 CS16828 [0,0,0,0,1,0|2,0,1]=4 656 B7R1.1 NCC1=CON=C1 MC104809 [0,0,0,0,1,0|3,0,0]=4 657 B7R1.1 NCC1=CON=C1 MC114871 [0,0,0,0,1,0|3,0,0]=4 658 B7R1.1 NCC1=CSC=C1 CS22417 [0,0,0,0,1,0|3,0,0]=4 659 B7R1.1 NCC1=CSC=N1 MC116268 [0,0,0,0,1,0|3,0,0]=4 660 B7R1.1 NCC1=NC=CS1 MC444202 [0,0,0,0,1,0|3,0,0]=4 661 B7R1.1 NCC1=NNC=C1 CS15493 [0,0,0,0,1,0|3,0,0]=4 662 B7R1.1 NCC1=NNC=N1 MC431455 [0,0,0,0,1,0|3,0,0]=4 663 B7R1.1 NCC1=NSC=C1 MC105065 [0,0,0,0,1,0|3,0,0]=4 664 B7R1.1 NCc1cocn1 MC102412 [0,0,0,0,1,0|3,0,0]=4 665 B7R1.1 O=CC1=CC=CN1 CS17764 [0,0,0,0,1,0|2,0,1]=4 666 B7R1.1 O=CC1=CC=CN1 MC434011 [0,0,0,0,1,0|2,0,1]=4 667 B7R1.1 O=CC1=CC=CO1 MC41686 [0,0,0,0,1,0|3,0,0]=4 668 B7R1.1 O=CC1=CC=CS1 CS16400 [0,0,0,0,1,0|3,0,0]=4 669 B7R1.1 O=CC1=CN=CO1 MC100355 [0,0,0,0,1,0|3,0,0]=4 670 B7R1.1 O=CC1=CN=CS1 CS15582 [0,0,0,0,1,0|3,0,0]=4 671 B7R1.1 O=CC1=CNC=C1 CS20728 [0,0,0,0,1,0|2,0,1]=4 672 B7R1.1 O=CC1=CNC=N1 CS14113 [0,0,0,0,1,0|2,0,1]=4 673 B7R1.1 O=CC1=CNN=C1 CS17644 [0,0,0,0,1,0|3,0,0]=4 674 B7R1.1 O=CC1=CNN=C1 CS18258 [0,0,0,0,1,0|3,0,0]=4 675 B7R1.1 O=CC1=CSC=C1 CS14553 [0,0,0,0,1,0|3,0,0]=4 676 B7R1.1 O=CC1=CSC=N1 MC33021 [0,0,0,0,1,0|3,0,0]=4 677 B7R1.1 O=CC1=NC=CN1 CS15723 [0,0,0,0,1,0|2,0,1]=4 678 B7R1.1 O=CC1=NNC=C1 CS18284 [0,0,0,0,1,0|3,0,0]=4 679 B7R1.1 OCC1=CC=CO1 MC41687 [0,0,0,0,1,0|3,0,0]=4 680 B7R1.1 OCC1=CC=NO1 CS15343 [0,0,0,0,1,0|3,0,0]=4 681 B7R1.1 OCC1=CN=CS1 CS16191 [0,0,0,0,1,0|3,0,0]=4 682 B7R1.1 OCC1=CNN=C1 CS20094 [0,0,0,0,1,0|3,0,0]=4 683 B7R1.1 OCC1=COC=C1 CS22303 [0,0,0,0,1,0|3,0,0]=4 684 B7R1.1 OCC1=CON=C1 MC104808 [0,0,0,0,1,0|3,0,0]=4 685 B7R1.1 OCC1=CSC=C1 CS18039 [0,0,0,0,1,0|3,0,0]=4 686 B7R1.1 OCC1=CSC=N1 CS22892 [0,0,0,0,1,0|3,0,0]=4 687 B7R1.1 OCC1=NC=CS1 MC113802 [0,0,0,0,1,0|3,0,0]=4 688 B7R1.1 OCC1=NC=NN1 MC116570 [0,0,0,0,1,0|3,0,0]=4 689 B7R1.1 OCN1C=CC=N1 CS11902 [0,0,0,0,1,0|3,0,0]=4 690 B6R0.1 COC(=O)\C=C\I MC20613 [1,0,1,0,0,0|2,0,0]=4 691 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,1,0,0,0|1,0,1]=4 692 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|2,0,0]=4 693 B6R1.1 C1=CC=NC=C1 CS19760 [2,0,0,0,0,0|1,0,0]=3 694 B6R1.1 C1=CC=NC=C1 MC21088 [2,0,0,0,0,0|1,0,0]=3 695 B6R1.1 C1=CC=NC=C1 MC32204 [2,0,0,0,0,0|1,0,0]=3 696 B6R1.1 C1=CC=NC=C1 MC41630 [2,0,0,0,0,0|1,0,0]=3 697 B6R1.1 C1=CC=[NH+]C=C1 MC20763 [2,0,0,0,0,0|1,0,1]=4 698 B6R1.1 C1=CN=CC=N1 MC20792 [2,0,0,0,0,0|0,0,0]=2 699 B6R1.1 C1=CN=NC=C1 CS11905 [2,0,0,0,0,0|2,0,0]=4 700 B6R1.1 c1ccccc1 MC444977 [2,0,0,0,0,0|2,0,0]=4 701 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,1,0,0,0|2,0,0]=4 702 B8R1.3 BrC1=CN=C(Br)C=C1 CS21792 [1,1,0,0,0,0|2,0,0]=4 703 B8R1.3 BrC1=CN=C(Br)C=N1 CS18888 [1,1,0,0,0,0|1,0,0]=3 704 B8R1.3 BrC1=CN=C(I)C=C1 CS22029 [1,1,0,0,0,0|2,0,0]=4 705 B8R1.3 BrC1=NC=C(I)C=C1 CS15803 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [1,1,0,0,0,0|2,0,0]=4 707 B8R1.3 CC1=CC=C(Br)N=N1 CS12937 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.3 CC1=CC=C(Cl)N=N1 CS17682 [1,1,0,0,0,0|2,0,0]=4 710 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.3 CC1=CC=C(I)N=N1 MC444284 [1,1,0,0,0,0|2,0,0]=4 713 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [1,1,0,0,0,0|2,0,0]=4 714 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [1,1,0,0,0,0|1,0,0]=3 715 B8R1.3 CC1=CC=C(N)N=N1 MC444230 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [1,1,0,0,0,0|1,0,0]=3 718 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [1,1,0,0,0,0|2,0,0]=4 720 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [1,1,0,0,0,0|1,0,0]=3 721 B8R1.3 CC1=CN=C(Br)N=C1 CS12207 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [1,1,0,0,0,0|1,0,0]=3 723 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [1,1,0,0,0,0|1,0,0]=3 724 B8R1.3 CC1=CN=C(Cl)C=N1 CS21471 [1,1,0,0,0,0|0,0,0]=2 725 B8R1.3 CC1=CN=C(Cl)N=C1 CS19723 [1,1,0,0,0,0|2,0,0]=4 726 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [1,1,0,0,0,0|1,0,0]=3 727 B8R1.3 CC1=CN=C(I)N=C1 MC443807 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [1,1,0,0,0,0|1,0,0]=3 729 B8R1.3 CC1=CN=C(N)C=N1 CS18361 [1,1,0,0,0,0|0,0,0]=2 730 B8R1.3 CC1=CN=C(N)N=C1 CS21761 [1,1,0,0,0,0|2,0,0]=4 731 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [1,1,0,0,0,0|1,0,0]=3 732 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [1,1,0,0,0,0|0,0,0]=2 733 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [1,1,0,0,0,0|1,0,1]=4 734 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [1,1,0,0,0,0|1,0,0]=3 735 B8R1.3 CC1=NC=C(Br)C=N1 CS18474 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.3 CC1=NC=C(Cl)C=N1 CS10333 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [1,1,0,0,0,0|1,0,0]=3 738 B8R1.3 CC1=NC=C(F)C=N1 CS14641 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [1,1,0,0,0,0|1,0,0]=3 740 B8R1.3 CC1=NC=C(N)C=N1 CS14284 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.3 ClC1=CN=C(Br)C=C1 CS17275 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.3 ClC1=CN=C(Cl)C=C1 CS13779 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.3 ClC1=CN=C(Cl)C=N1 CS18838 [1,1,0,0,0,0|1,0,0]=3 746 B8R1.3 ClC1=CN=C(I)C=C1 CS18901 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.3 ClC1=NC=C(Br)C=C1 CS14919 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.3 ClC1=NC=C(I)C=C1 CS17315 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.3 ClC1=NC=C(I)N=C1 CS12211 [1,1,0,0,0,0|1,0,0]=3 750 B8R1.3 FC1=CN=C(Br)C=C1 CS21836 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.3 FC1=CN=C(Br)C=N1 MC442841 [1,1,0,0,0,0|1,0,0]=3 752 B8R1.3 FC1=CN=C(Cl)C=C1 CS21851 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.3 FC1=CN=C(I)C=C1 CS10383 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.3 FC1=NC=C(Br)C=C1 CS22028 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.3 FC1=NC=C(Cl)C=C1 CS17313 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.3 FC1=NC=C(I)C=C1 CS17371 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.3 NC1=CC=C(Br)N=C1 CS21910 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.3 NC1=CC=C(Cl)N=C1 CS21849 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.3 NC1=CC=C(F)N=C1 CS22740 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [1,1,0,0,0,0|1,0,0]=3 762 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [1,1,0,0,0,0|1,0,0]=3 766 B8R1.3 NC1=CN=C(O)N=C1 MC444379 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.3 NC1=NC=C(Br)C=C1 CS21813 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.3 NC1=NC=C(Br)N=C1 CS15187 [1,1,0,0,0,0|1,0,0]=3 769 B8R1.3 NC1=NC=C(Cl)C=C1 CS21816 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.3 NC1=NC=C(Cl)N=C1 CS18243 [1,1,0,0,0,0|1,0,0]=3 771 B8R1.3 NC1=NC=C(F)C=C1 CS21818 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.3 NC1=NC=C(I)C=C1 CS17736 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.3 NC1=NC=C(O)C=N1 CS17222 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [1,1,0,0,0,0|1,0,1]=4 775 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [1,1,0,0,0,0|1,0,0]=3 777 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [1,1,0,0,0,0|1,0,0]=3 779 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [1,1,0,0,0,0|1,0,0]=3 781 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [1,1,0,0,0,0|1,0,0]=3 783 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.3 OC1=CC=C(O)N=N1 CS13566 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.3 OC1=CN=C(Br)N=C1 MC444174 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.3 OC1=CN=C(Cl)N=C1 CS14550 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.3 OC1=NC=C(Br)C=N1 CS15434 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.3 OC1=NC=C(Br)N=C1 CS19024 [1,1,0,0,0,0|0,0,0]=2 791 B8R1.3 OC1=NC=C(Cl)C=N1 MC436855 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.3 OC1=NC=C(Cl)N=C1 CS19402 [1,1,0,0,0,0|0,0,0]=2 793 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [1,1,0,0,0,0|1,0,0]=3 794 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.4 BrC1=CC(Br)=NC=C1 CS15110 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.4 BrC1=CC(I)=CN=C1 CS13981 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.4 BrC1=CC=CC(Br)=N1 CS21793 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.4 BrC1=CN=CC(Br)=C1 CS21896 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.4 BrC1=CN=CC(Br)=N1 CS12199 [1,1,0,0,0,0|1,0,0]=3 800 B8R1.4 BrC1=NC=CC(I)=C1 CS17279 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [1,1,0,0,0,0|2,0,0]=4 803 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [1,1,0,0,0,0|2,0,0]=4 804 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [1,1,0,0,0,0|2,0,0]=4 805 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [1,1,0,0,0,0|2,0,0]=4 810 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [1,1,0,0,0,0|2,0,0]=4 811 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [1,1,0,0,0,0|1,0,0]=3 812 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [1,1,0,0,0,0|1,0,1]=4 814 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [1,1,0,0,0,0|1,0,0]=3 816 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [1,1,0,0,0,0|2,0,0]=4 817 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [1,1,0,0,0,0|1,0,0]=3 819 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [1,1,0,0,0,0|2,0,0]=4 820 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [1,1,0,0,0,0|1,0,0]=3 821 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [1,1,0,0,0,0|2,0,0]=4 822 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [1,1,0,0,0,0|1,0,0]=3 823 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [1,1,0,0,0,0|2,0,0]=4 824 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [1,1,0,0,0,0|1,0,0]=3 825 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.4 CC1=CC=C[N+]([O-])=C1 MC41624 [1,1,0,0,0,0|1,0,1]=4 828 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [1,1,0,0,0,0|0,0,0]=2 830 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [1,1,0,0,0,0|1,0,0]=3 831 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [1,1,0,0,0,0|0,0,0]=2 832 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [1,1,0,0,0,0|1,0,0]=3 833 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [1,1,0,0,0,0|1,0,0]=3 834 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [1,1,0,0,0,0|1,0,0]=3 835 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [1,1,0,0,0,0|0,0,0]=2 836 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [1,1,0,0,0,0|1,0,0]=3 837 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [1,1,0,0,0,0|0,0,0]=2 838 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [1,1,0,0,0,0|1,0,0]=3 847 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [1,1,0,0,0,0|1,0,0]=3 849 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [1,1,0,0,0,0|1,0,0]=3 850 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [1,1,0,0,0,0|1,0,0]=3 851 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [1,1,0,0,0,0|2,0,0]=4 852 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.4 ClC1=CC(Br)=NC=C1 CS13973 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.4 ClC1=CC(Cl)=NC=C1 CS17291 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.4 ClC1=CC(I)=NC=C1 CS15413 [1,1,0,0,0,0|2,0,0]=4 857 B8R1.4 ClC1=CC=CC(Br)=N1 CS14668 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.4 ClC1=CC=CC(Cl)=N1 CS18899 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.4 ClC1=CN=CC(Br)=C1 CS15808 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.4 ClC1=CN=CC(Br)=N1 MC33389 [1,1,0,0,0,0|1,0,0]=3 861 B8R1.4 ClC1=CN=CC(Cl)=C1 CS14008 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 ClC1=CN=CC(Cl)=N1 CS22559 [1,1,0,0,0,0|1,0,0]=3 863 B8R1.4 ClC1=NC(I)=CC=C1 MC41607 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.4 ClC1=NC=CC(Br)=C1 CS21986 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.4 ClC1=NC=CC(I)=C1 CS22695 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.4 FC1=CC(Br)=CN=C1 CS22034 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.4 FC1=CC(Br)=NC=C1 CS14190 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.4 FC1=CC(Cl)=NC=C1 CS17300 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.4 FC1=CC(F)=NC=C1 CS19909 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.4 FC1=CC(I)=CN=C1 CS18467 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.4 FC1=CC=CC(Br)=N1 CS13708 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.4 FC1=CC=CC(Cl)=N1 CS18859 [1,1,0,0,0,0|2,0,0]=4 873 B8R1.4 FC1=CC=CC(F)=N1 CS18752 [1,1,0,0,0,0|2,0,0]=4 874 B8R1.4 FC1=CN=CC(Cl)=C1 CS19936 [1,1,0,0,0,0|2,0,0]=4 875 B8R1.4 FC1=CN=CC(F)=C1 CS13374 [1,1,0,0,0,0|2,0,0]=4 876 B8R1.4 FC1=NC(Br)=CC=C1 MC429392 [1,1,0,0,0,0|2,0,0]=4 877 B8R1.4 FC1=NC=CC(Br)=C1 CS17277 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.4 FC1=NC=CC(Cl)=C1 CS14178 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.4 FC1=NC=CC(I)=C1 CS13375 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.4 IC1=CC=CC(I)=N1 CS18354 [1,1,0,0,0,0|2,0,0]=4 881 B8R1.4 NC1=CC(Br)=CN=C1 CS22730 [1,1,0,0,0,0|2,0,0]=4 882 B8R1.4 NC1=CC(Br)=NC=C1 CS21962 [1,1,0,0,0,0|2,0,0]=4 883 B8R1.4 NC1=CC(Br)=NC=C1 MC425916 [1,1,0,0,0,0|2,0,0]=4 884 B8R1.4 NC1=CC(Cl)=CN=C1 MC31090 [1,1,0,0,0,0|2,0,0]=4 885 B8R1.4 NC1=CC(Cl)=CN=C1 MC442692 [1,1,0,0,0,0|2,0,0]=4 886 B8R1.4 NC1=CC(Cl)=NC=C1 CS21964 [1,1,0,0,0,0|2,0,0]=4 887 B8R1.4 NC1=CC(F)=CN=C1 CS13934 [1,1,0,0,0,0|2,0,0]=4 888 B8R1.4 NC1=CC(F)=NC=C1 CS13865 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.4 NC1=CC(I)=CN=C1 MC431279 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.4 NC1=CC(N)=NC=C1 CS11909 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [1,1,0,0,0,0|1,0,0]=3 892 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [1,1,0,0,0,0|1,0,0]=3 893 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [1,1,0,0,0,0|2,0,0]=4 894 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [1,1,0,0,0,0|2,0,0]=4 895 B8R1.4 NC1=CN=CC(F)=C1 MC430057 [1,1,0,0,0,0|2,0,0]=4 896 B8R1.4 NC1=CN=CC(N)=C1 CS21958 [1,1,0,0,0,0|2,0,0]=4 897 B8R1.4 NC1=CN=CC(N)=N1 CS15121 [1,1,0,0,0,0|1,0,0]=3 898 B8R1.4 NC1=CN=CC(N)=N1 MC100335 [1,1,0,0,0,0|1,0,0]=3 899 B8R1.4 NC1=CN=CC(O)=C1 CS12372 [1,1,0,0,0,0|1,0,0]=3 900 B8R1.4 NC1=CN=CC(O)=C1 CS22080 [1,1,0,0,0,0|1,0,0]=3 901 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [1,1,0,0,0,0|2,0,0]=4 902 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.4 NC1=NC(Cl)=CN=C1 MC20457 [1,1,0,0,0,0|1,0,0]=3 904 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [1,1,0,0,0,0|2,0,0]=4 905 B8R1.4 NC1=NC=CC(Br)=C1 CS16114 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.4 NC1=NC=CC(Cl)=C1 CS17669 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.4 NC1=NC=CC(F)=C1 CS21251 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.4 NC1=NC=CC(I)=C1 MC425094 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.4 NC1=NC=NC(O)=C1 CS22588 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.4 OC1=CC(Br)=CC=C1 CS15169 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.4 OC1=CC(Br)=CN=C1 CS17456 [1,1,0,0,0,0|1,0,0]=3 913 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [1,1,0,0,0,0|2,0,0]=4 914 B8R1.4 OC1=CC(Cl)=CC=C1 CS19764 [1,1,0,0,0,0|2,0,0]=4 915 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [1,1,0,0,0,0|2,0,0]=4 916 B8R1.4 OC1=CC(F)=CC=C1 CS19021 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.4 OC1=CC(F)=CN=C1 CS13932 [1,1,0,0,0,0|1,0,0]=3 918 B8R1.4 OC1=CC(I)=CC=C1 CS19969 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.4 OC1=CC(O)=NC=N1 CS15744 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.4 OC1=CC=CC(S)=C1 MC20381 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.4 OC1=CN=CC(Cl)=C1 MC41606 [1,1,0,0,0,0|1,0,0]=3 922 B8R1.4 OC1=CN=CC(O)=C1 CS21992 [1,1,0,0,0,0|1,0,0]=3 923 B8R1.4 OC1=CN=NC(Cl)=C1 MC107685 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.4 OC1=NC(Br)=CC=C1 CS14076 [1,1,0,0,0,0|1,0,0]=3 925 B8R1.4 OC1=NC(Cl)=CN=C1 CS12934 [1,1,0,0,0,0|0,0,0]=2 926 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [1,1,0,0,0,0|1,0,0]=3 928 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [1,1,0,0,0,0|1,0,0]=3 929 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [1,1,0,0,0,0|1,0,0]=3 930 B8R1.4 OC1=NC=NC(Br)=C1 CS14406 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.4 OC1=NC=NC(Cl)=C1 CS22568 [1,1,0,0,0,0|2,0,0]=4 932 B8R1.5 BrC1=C(Br)C=NC=C1 CS13628 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.5 BrC1=CC=CN=C1Br CS22670 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.5 BrC1=NC=CC=C1I MC110926 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.5 BrC1=NC=CN=C1Br CS12573 [1,1,0,0,0,0|1,0,0]=3 936 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.5 CC1=C(Br)C=CN=C1 CS13416 [1,1,0,0,0,0|1,0,0]=3 938 B8R1.5 CC1=C(Br)C=NC=C1 CS21916 [1,1,0,0,0,0|2,0,0]=4 939 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.5 CC1=C(Cl)C=CN=C1 CS18038 [1,1,0,0,0,0|1,0,0]=3 941 B8R1.5 CC1=C(Cl)C=NC=C1 CS15751 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.5 CC1=C(Cl)N=NC=C1 MC444260 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [1,1,0,0,0,0|2,0,0]=4 944 B8R1.5 CC1=C(F)C=CN=C1 MC433051 [1,1,0,0,0,0|1,0,0]=3 945 B8R1.5 CC1=C(F)C=NC=C1 CS19332 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [1,1,0,0,0,0|1,0,0]=3 948 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [1,1,0,0,0,0|1,0,0]=3 950 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [1,1,0,0,0,0|1,0,0]=3 951 B8R1.5 CC1=CC=CC=C1C MC41549 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.5 CC1=CC=CC=C1N CS20592 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.5 CC1=CC=CC=C1O CS11813 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.5 CC1=CC=CN=C1Br CS23002 [1,1,0,0,0,0|1,0,0]=3 955 B8R1.5 CC1=CC=CN=C1C CS21050 [1,1,0,0,0,0|1,0,0]=3 956 B8R1.5 CC1=CC=CN=C1Cl CS13857 [1,1,0,0,0,0|1,0,0]=3 957 B8R1.5 CC1=CC=CN=C1F CS19328 [1,1,0,0,0,0|1,0,0]=3 958 B8R1.5 CC1=CC=CN=C1N CS13775 [1,1,0,0,0,0|1,0,0]=3 959 B8R1.5 CC1=CC=CN=C1O CS19498 [1,1,0,0,0,0|1,0,0]=3 960 B8R1.5 CC1=CN=CN=C1Br CS12572 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.5 CC1=CN=CN=C1Cl CS19938 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.5 CC1=CN=CN=C1N CS12501 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.5 CC1=CN=CN=C1O CS10459 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.5 CC1=NC=CC=C1Br MC20012 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.5 CC1=NC=CC=C1Cl MC425470 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.5 CC1=NC=CC=C1F CS19850 [1,1,0,0,0,0|1,0,0]=3 967 B8R1.5 CC1=NC=CC=C1N CS19518 [1,1,0,0,0,0|1,0,0]=3 968 B8R1.5 CC1=NC=CC=C1O MC20374 [1,1,0,0,0,0|1,0,0]=3 969 B8R1.5 CC1=NC=CN=C1Br CS12416 [1,1,0,0,0,0|0,0,0]=2 970 B8R1.5 CC1=NC=CN=C1C CS10108 [1,1,0,0,0,0|0,0,0]=2 971 B8R1.5 CC1=NC=CN=C1Cl CS17680 [1,1,0,0,0,0|0,0,0]=2 972 B8R1.5 CC1=NC=CN=C1N CS21232 [1,1,0,0,0,0|0,0,0]=2 973 B8R1.5 CC1=NC=CN=C1O CS21577 [1,1,0,0,0,0|0,0,0]=2 974 B8R1.5 CC1=NC=NC=C1Br CS11920 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.5 CC1=NC=NC=C1I CS12766 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.5 CC1=NC=NC=C1N CS19908 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.5 ClC1=C(Br)C=CN=C1 CS15809 [1,1,0,0,0,0|2,0,0]=4 978 B8R1.5 ClC1=C(Cl)C=NC=C1 CS14992 [1,1,0,0,0,0|2,0,0]=4 979 B8R1.5 ClC1=C(I)C=CN=C1 CS17639 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.5 ClC1=C(I)C=CN=C1 CS19993 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.5 ClC1=C(I)C=NC=C1 CS17640 [1,1,0,0,0,0|2,0,0]=4 982 B8R1.5 ClC1=CC=CN=C1Br CS17272 [1,1,0,0,0,0|2,0,0]=4 983 B8R1.5 ClC1=CC=CN=C1Cl CS13373 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.5 ClC1=NC=CC=C1Br CS22671 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.5 ClC1=NC=CC=C1I CS22694 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.5 FC1=C(Br)C=CN=C1 MC429590 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.5 FC1=C(Br)C=NC=C1 CS13534 [1,1,0,0,0,0|2,0,0]=4 988 B8R1.5 FC1=C(Cl)C=CN=C1 MC429592 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.5 FC1=C(F)C=NC=C1 MC431362 [1,1,0,0,0,0|2,0,0]=4 990 B8R1.5 FC1=C(I)C=CN=C1 CS18172 [1,1,0,0,0,0|2,0,0]=4 991 B8R1.5 FC1=CC=CN=C1Br CS14296 [1,1,0,0,0,0|2,0,0]=4 992 B8R1.5 FC1=CC=CN=C1Cl CS17308 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.5 FC1=CC=CN=C1F CS18753 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.5 FC1=NC=CC=C1Br CS14198 [1,1,0,0,0,0|2,0,0]=4 995 B8R1.5 FC1=NC=CC=C1Cl CS18743 [1,1,0,0,0,0|2,0,0]=4 996 B8R1.5 FC1=NC=CC=C1I CS21866 [1,1,0,0,0,0|2,0,0]=4 997 B8R1.5 NC1=C(Br)C=CN=C1 CS13987 [1,1,0,0,0,0|2,0,0]=4 998 B8R1.5 NC1=C(Br)C=NC=C1 CS21968 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.5 NC1=C(Cl)C=CN=C1 CS22737 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.5 NC1=C(Cl)C=NC=C1 CS13897 [1,1,0,0,0,0|2,0,0]=4 1001 B8R1.5 NC1=C(F)C=CN=C1 MC106328 [1,1,0,0,0,0|2,0,0]=4 1002 B8R1.5 NC1=C(F)C=NC=C1 CS13971 [1,1,0,0,0,0|2,0,0]=4 1003 B8R1.5 NC1=C(I)C=CN=C1 CS17808 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.5 NC1=C(I)C=NC=C1 CS18532 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.5 NC1=C(N)C=NC=C1 CS22778 [1,1,0,0,0,0|2,0,0]=4 1006 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.5 NC1=C(O)C=CN=C1 MC427456 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.5 NC1=C(O)C=NC=C1 CS14741 [1,1,0,0,0,0|1,0,0]=3 1009 B8R1.5 NC1=C(S)C=CN=C1 MC427552 [1,1,0,0,0,0|2,0,0]=4 1010 B8R1.5 NC1=C(S)C=NC=C1 MC427410 [1,1,0,0,0,0|1,1,0]=4 1011 B8R1.5 NC1=CC=CN=C1Br CS22729 [1,1,0,0,0,0|2,0,0]=4 1012 B8R1.5 NC1=CC=CN=C1Cl CS17686 [1,1,0,0,0,0|2,0,0]=4 1013 B8R1.5 NC1=CC=CN=C1F CS22742 [1,1,0,0,0,0|2,0,0]=4 1014 B8R1.5 NC1=CC=CN=C1I CS18159 [1,1,0,0,0,0|2,0,0]=4 1015 B8R1.5 NC1=CC=CN=C1N CS21785 [1,1,0,0,0,0|2,0,0]=4 1016 B8R1.5 NC1=NC=CC=C1Br CS17634 [1,1,0,0,0,0|2,0,0]=4 1017 B8R1.5 NC1=NC=CC=C1Cl CS17664 [1,1,0,0,0,0|2,0,0]=4 1018 B8R1.5 NC1=NC=CC=C1F CS13951 [1,1,0,0,0,0|2,0,0]=4 1019 B8R1.5 NC1=NC=CC=C1I CS13464 [1,1,0,0,0,0|2,0,0]=4 1020 B8R1.5 NC1=NC=CC=C1O CS22765 [1,1,0,0,0,0|1,0,0]=3 1021 B8R1.5 NC1=NC=CC=C1S MC110834 [1,1,0,0,0,0|1,1,0]=4 1022 B8R1.5 NC1=NC=CN=C1Br CS21229 [1,1,0,0,0,0|1,0,0]=3 1023 B8R1.5 NC1=NC=CN=C1Cl CS18423 [1,1,0,0,0,0|1,0,0]=3 1024 B8R1.5 NC1=NC=CN=C1I CS12456 [1,1,0,0,0,0|1,0,0]=3 1025 B8R1.5 NC1=NC=CN=C1O CS21231 [1,1,0,0,0,0|0,0,0]=2 1026 B8R1.5 NC1=NC=NC=C1O CS16658 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.5 O=C1C=COC=C1O CS16007 [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.5 O=C1NC=CC=C1O CS22752 [1,1,0,0,0,0|1,0,1]=4 1029 B8R1.5 O=C1NC=NC=C1O CS15721 [1,1,0,0,0,0|2,0,0]=4 1030 B8R1.5 O=C1OC=CC=C1O CS22311 [1,1,0,0,0,0|2,0,0]=4 1031 B8R1.5 OC1=C(Br)C=CC=C1 CS19429 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.5 OC1=C(Br)C=CN=C1 CS13781 [1,1,0,0,0,0|1,0,0]=3 1033 B8R1.5 OC1=C(Br)C=NC=C1 CS14222 [1,1,0,0,0,0|2,0,0]=4 1034 B8R1.5 OC1=C(Cl)C=CC=C1 MC41174 [1,1,0,0,0,0|2,0,0]=4 1035 B8R1.5 OC1=C(Cl)C=CN=C1 CS16383 [1,1,0,0,0,0|1,0,0]=3 1036 B8R1.5 OC1=C(Cl)C=NC=C1 CS16225 [1,1,0,0,0,0|2,0,0]=4 1037 B8R1.5 OC1=C(F)C=CC=C1 MC20096 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.5 OC1=C(F)C=NC=C1 CS22284 [1,1,0,0,0,0|2,0,0]=4 1039 B8R1.5 OC1=C(I)C=CC=C1 MC20193 [1,1,0,0,0,0|2,0,0]=4 1040 B8R1.5 OC1=C(I)C=CN=C1 CS12130 [1,1,0,0,0,0|1,0,0]=3 1041 B8R1.5 OC1=C(I)C=NC=C1 MC425611 [1,1,0,0,0,0|2,0,0]=4 1042 B8R1.5 OC1=CC=CC=C1O CS11109 [1,1,0,0,0,0|2,0,0]=4 1043 B8R1.5 OC1=CC=CN=C1Br CS17449 [1,1,0,0,0,0|1,0,0]=3 1044 B8R1.5 OC1=CC=CN=C1Cl CS17508 [1,1,0,0,0,0|1,0,0]=3 1045 B8R1.5 OC1=CC=CN=C1F CS13836 [1,1,0,0,0,0|1,0,0]=3 1046 B8R1.5 OC1=CC=CN=C1I CS14294 [1,1,0,0,0,0|1,0,0]=3 1047 B8R1.5 OC1=NC=CC=C1Br CS18703 [1,1,0,0,0,0|1,0,0]=3 1048 B8R1.5 OC1=NC=NC=C1F CS22574 [1,1,0,0,0,0|2,0,0]=4 1049 B8R1.5 OC1=NC=NC=C1I CS12263 [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.5 [O-][N+]1=C(O)C=CC=C1 CS21603 [1,1,0,0,0,0|1,0,1]=4 1051 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,1,0,0,1,0|2,0,0]=4 1052 B8R1.1 CCN1C=C(N)C=N1 MC21175 [0,1,0,0,1,0|2,0,0]=4 1053 B8R1.1 CCN1C=NC(Br)=C1 MC425026 [0,1,0,0,1,0|2,0,0]=4 1054 B8R1.1 CNC1=NC(N)=CS1 MC102822 [0,1,0,0,1,0|2,0,0]=4 1055 B8R1.1 COC1=CC(N)=NO1 CS18977 [0,1,0,0,1,0|1,0,0]=3 1056 B8R1.1 COC1=NN=C(C)S1 MC107310 [0,1,0,0,1,0|2,0,0]=4 1057 B8R1.1 CSC1=NNC(N)=C1 CS16036 [0,1,0,0,1,0|1,1,0]=4 1058 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,1,0,0,1,0|2,0,0]=4 1059 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,1,0,0,1,0|2,0,0]=4 1060 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,1,0,0,1,0|2,0,0]=4 1061 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,1,0,0,1,0|1,0,1]=4 1062 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,1,0,0,1,0|2,0,0]=4 1063 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,1,0,0,1,0|2,0,0]=4 1064 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,1,0,0,1,0|2,0,0]=4 1065 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,1,0,0,1,0|2,0,0]=4 1066 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,1,0,0,1,0|2,0,0]=4 1067 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,1,0,0,1,0|2,0,0]=4 1068 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,1,0,0,1,0|2,0,0]=4 1069 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,1,0,0,1,0|2,0,0]=4 1070 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,1,0,0,1,0|1,0,1]=4 1071 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,1,0,0,1,0|2,0,0]=4 1072 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,1,0,0,1,0|2,0,0]=4 1073 B8R1.8 CCCC1=NC=CN1 CS14621 [0,1,0,0,1,0|1,0,1]=4 1074 B8R1.8 COCC1=NC=CN1 MC104489 [0,1,0,0,1,0|0,0,1]=3 1075 B8R1.8 COCN1C=CN=C1 CS12819 [0,1,0,0,1,0|1,0,0]=3 1076 B8R1.8 ClCCC1=CNN=C1 MC20761 [0,1,0,0,1,0|2,0,0]=4 1077 B8R1.8 NCCC1=CNC=N1 CS18264 [0,1,0,0,1,0|1,0,1]=4 1078 B8R1.8 NCCC1=CSC=C1 CS22098 [0,1,0,0,1,0|2,0,0]=4 1079 B8R1.8 NCCC1=NC=NN1 MC431308 [0,1,0,0,1,0|2,0,0]=4 1080 B8R1.8 NCCC1=NC=NN1 MC431309 [0,1,0,0,1,0|2,0,0]=4 1081 B8R1.8 NCCC1=NOC=N1 MC107767 [0,1,0,0,1,0|2,0,0]=4 1082 B8R1.8 OCCC1=CC=CS1 CS14939 [0,1,0,0,1,0|2,0,0]=4 1083 B8R1.8 OCCC1=CNC=N1 CS18186 [0,1,0,0,1,0|1,0,1]=4 1084 B8R1.8 OCCC1=CNN=C1 CS18073 [0,1,0,0,1,0|2,0,0]=4 1085 B8R1.8 OCCC1=CSC=C1 CS20858 [0,1,0,0,1,0|2,0,0]=4 1086 B8R1.8 OCCC1=NC=CN1 MC431716 [0,1,0,0,1,0|1,0,1]=4 1087 B8R1.8 OCCN1C=CN=C1 CS18191 [0,1,0,0,1,0|2,0,0]=4 1088 B8R1.11 CCC1=CNN=C1N CS14342 [0,1,0,0,1,0|2,0,0]=4 1089 B8R1.11 CCC1=NNC=C1I MC106505 [0,1,0,0,1,0|2,0,0]=4 1090 B8R1.11 CCN1C=NC=C1N MC106195 [0,1,0,0,1,0|2,0,0]=4 1091 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,0,1,0|2,0,0]=4 1092 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.1 CCOC1=CC=C(N)N=N1 CS10700 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.1 CCOC1=CN=C(Br)N=C1 MC444172 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [0,2,0,0,0,0|1,0,0]=3 1098 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [0,2,0,0,0,0|1,0,0]=3 1099 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [0,2,0,0,0,0|1,0,0]=3 1100 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [0,2,0,0,0,0|1,1,0]=4 1101 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.3 C#CC1=CN=C(OC)C=C1 MC427465 [0,2,0,0,0,0|1,0,0]=3 1104 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,2,0,0,0,0|1,0,0]=3 1110 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [0,2,0,0,0,0|2,0,0]=4 1111 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,2,0,0,0,0|1,0,0]=3 1112 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [0,2,0,0,0,0|2,0,0]=4 1114 B10R1.3 COC1=CN=C(C#N)N=C1 CS17236 [0,2,0,0,0,0|2,0,0]=4 1115 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,2,0,0,0,0|1,0,0]=3 1118 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,2,0,0,0,0|1,0,0]=3 1119 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,2,0,0,0,0|1,0,0]=3 1120 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,2,0,0,0,0|1,0,0]=3 1121 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,2,0,0,0,0|1,0,0]=3 1122 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [0,2,0,0,0,0|1,0,0]=3 1123 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,2,0,0,0,0|1,0,0]=3 1125 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,2,0,0,0,0|1,0,0]=3 1126 B10R1.3 COC1=NC=C(CN)C=N1 CS16815 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.3 COC1=NC=C(NN)C=C1 CS16925 [0,2,0,0,0,0|1,0,0]=3 1128 B10R1.3 COc1ccc([Mg]Br)cn1 MC116057 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,2,0,0,0,0|1,0,0]=3 1138 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,2,0,0,0,0|1,0,0]=3 1140 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.13 CN(C)C1=NC=C(Br)N=C1 CS17460 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 MC105738 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.25 CCC1=NC=C(Br)C=C1N MC103443 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.25 CCC1=NC=C(Cl)N=C1Cl MC431248 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.25 CNC1=NC=C(Br)C=C1C MC443243 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.25 CNC1=NC=C(Br)C=C1N MC111705 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 CS20168 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.25 COC1=C(Br)C=C(F)C=C1 MC30075 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.25 COC1=C(Br)C=C(I)C=C1 MC41320 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.25 COC1=C(Br)C=C(N)C=C1 MC20804 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS18795 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.25 COC1=C(Br)C=C(O)C=N1 MC432022 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.25 COC1=C(C)C=C(Br)C=C1 CS22652 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.25 COC1=C(C)C=C(I)C=C1 MC41343 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.25 COC1=C(C)C=C(N)C=C1 CS18714 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.25 COC1=C(C)C=C(N)C=N1 CS15363 [0,2,0,0,0,0|1,0,0]=3 1174 B10R1.25 COC1=C(C)C=C(O)C=C1 MC442018 [0,2,0,0,0,0|2,0,0]=4 1175 B10R1.25 COC1=C(Cl)C=C(C)C=C1 MC442301 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.25 COC1=C(Cl)C=C(F)C=C1 MC30033 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CS14858 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.25 COC1=C(Cl)C=C(N)C=N1 CS17094 [0,2,0,0,0,0|1,0,0]=3 1179 B10R1.25 COC1=C(Cl)C=C(O)C=C1 MC442396 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.25 COC1=C(Cl)N=C(N)C=C1 MC103574 [0,2,0,0,0,0|1,0,0]=3 1181 B10R1.25 COC1=C(F)C=C(Br)C=C1 MC30240 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.25 COC1=C(F)C=C(I)C=C1 MC425677 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.25 COC1=C(F)C=C(N)C=C1 CS10515 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.25 COC1=C(F)C=C(N)C=N1 CS15127 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.25 COC1=C(F)C=C(O)C=C1 CS22287 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.25 COC1=C(I)C=C(Br)C=C1 CS17024 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.25 COC1=C(I)C=C(Cl)C=C1 MC41330 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.25 COC1=C(I)C=C(N)C=C1 CS18915 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.25 COC1=C(I)C=C(N)C=C1 CS19301 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS10268 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.25 COC1=C(N)C=C(C)C=C1 CS13548 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.25 COC1=C(N)C=C(F)C=C1 MC30206 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.25 COC1=C(N)C=C(I)C=C1 MC428313 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.25 COC1=C(N)C=C(N)C=C1 CS21066 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.25 COC1=C(O)C=C(C)C=C1 MC442401 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.25 COC1=C(O)C=C(Cl)C=C1 MC442017 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.25 COC1=C(O)C=C(F)C=C1 CS15779 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.25 COC1=CC=C(Br)N=C1F MC425103 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.25 COC1=CN=C(Br)C=C1N MC432419 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.25 COC1=CN=C(C)C=C1Br MC431792 [0,2,0,0,0,0|1,0,0]=3 1201 B10R1.25 COC1=CN=C(C)C=C1N MC431793 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.25 COC1=CN=C(C)N=C1C CS16889 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.25 COC1=CN=C(Cl)C=C1Br MC431572 [0,2,0,0,0,0|1,0,0]=3 1204 B10R1.25 COC1=CN=C(Cl)C=C1I MC431710 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.25 COC1=CN=C(Cl)C=C1N MC103245 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.25 COC1=CN=C(Cl)N=C1Cl CS22707 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.25 COC1=CN=C(Cl)N=C1N CS16929 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.25 COC1=CN=C(N)C=C1Cl MC103569 [0,2,0,0,0,0|1,0,0]=3 1209 B10R1.25 COC1=CN=C(N)N=C1C MC432633 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.25 COC1=CN=C(N)N=C1Cl MC115895 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.25 COC1=CN=C(O)N=C1O CS18000 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.25 COC1=NC=C(Br)C=C1Br CS18704 [0,2,0,0,0,0|1,0,0]=3 1213 B10R1.25 COC1=NC=C(Br)C=C1C CS17558 [0,2,0,0,0,0|1,0,0]=3 1214 B10R1.25 COC1=NC=C(Br)C=C1Cl CS19358 [0,2,0,0,0,0|1,0,0]=3 1215 B10R1.25 COC1=NC=C(Br)C=C1F CS17560 [0,2,0,0,0,0|1,0,0]=3 1216 B10R1.25 COC1=NC=C(Br)C=C1N CS17340 [0,2,0,0,0,0|1,0,0]=3 1217 B10R1.25 COC1=NC=C(C)C=C1Br CS12715 [0,2,0,0,0,0|1,0,0]=3 1218 B10R1.25 COC1=NC=C(C)N=C1C CS15176 [0,2,0,0,0,0|0,0,0]=2 1219 B10R1.25 COC1=NC=C(Cl)C=C1Br CS17800 [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.25 COC1=NC=C(Cl)C=C1I MC432522 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.25 COC1=NC=C(F)C=C1Br CS19396 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.25 COC1=NC=C(F)C=C1C MC431991 [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.25 COC1=NC=C(F)C=C1O MC431711 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.25 COC1=NC=C(N)C=C1Br MC20010 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.25 COC1=[N+]([O-])C=C(F)C=C1 MC110903 [0,2,0,0,0,0|1,0,1]=4 1226 B10R1.25 CSC1=NC=C(Cl)N=C1Cl MC444207 [0,2,0,0,0,0|0,1,0]=3 1227 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl CS12637 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.25 N#CC1=NC=C(Cl)N=C1N MC427421 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.25 NC1=NC(Cl)=CN=C1C=O MC427554 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.176 CCC1=CN=C(C)C(C)=N1 CS21048 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC433376 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC442365 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.176 COC1=CC(Br)=C(C)C=C1 CS16376 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 MC433350 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS15238 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.176 COC1=CC(Br)=C(N)C=C1 CS21359 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC30339 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC41160 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.176 COC1=CC(C)=C(Br)C=C1 MC33099 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.176 COC1=CC(C)=C(N)C=N1 CS19252 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 CS14601 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.176 COC1=CC(Cl)=C(C)C=C1 MC41331 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 MC41335 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.176 COC1=CC(Cl)=C(I)C=C1 MC442237 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS14656 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS20293 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS10396 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.176 COC1=CC(F)=C(C)C=C1 CS10872 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.176 COC1=CC(F)=C(Cl)C=C1 MC33148 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.176 COC1=CC(F)=C(N)C=C1 MC40916 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.176 COC1=CC(F)=C(N)C=C1 MC433345 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.176 COC1=CC(F)=C(O)C=C1 MC441061 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.176 COC1=CC(I)=C(Br)C=C1 MC433361 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.176 COC1=CC(I)=C(N)C=C1 MC20577 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.176 COC1=CC(N)=C(Br)C=C1 CS18386 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.176 COC1=CC(N)=C(C)C=C1 CS14868 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.176 COC1=CC(N)=C(Cl)C=C1 CS13990 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.176 COC1=CC(N)=C(F)C=C1 CS12726 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.176 COC1=CC(N)=C(I)C=C1 CS15023 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.176 COC1=CC(N)=C(I)C=C1 MC30213 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.176 COC1=CC(N)=C(N)C=C1 MC433373 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.176 COC1=CC(N)=C(O)C=C1 CS21254 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.176 COC1=CC(O)=C(Br)C=C1 CS21376 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.176 COC1=CC(O)=C(Cl)C=C1 MC442395 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.176 COC1=CC(O)=C(F)C=C1 MC430013 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.176 COC1=CC=C(Br)C(Br)=N1 MC427562 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.176 COC1=CC=C(Br)C(C)=N1 CS13578 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.176 COC1=CC=C(Br)C(F)=N1 MC431237 [0,2,0,0,0,0|1,0,0]=3 1272 B10R1.176 COC1=CC=C(Br)C(N)=N1 MC427400 [0,2,0,0,0,0|1,0,0]=3 1273 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 MC443794 [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.176 COC1=CC=C(Cl)C(C)=N1 MC33479 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.176 COC1=CC=C(Cl)C(N)=N1 CS13810 [0,2,0,0,0,0|1,0,0]=3 1276 B10R1.176 COC1=CC=C(N)C(Br)=N1 CS13635 [0,2,0,0,0,0|1,0,0]=3 1277 B10R1.176 COC1=CC=C(N)C(C)=N1 CS19107 [0,2,0,0,0,0|1,0,0]=3 1278 B10R1.176 COC1=CC=C(N)C(C)=N1 MC20014 [0,2,0,0,0,0|1,0,0]=3 1279 B10R1.176 COC1=CC=C(N)C(Cl)=N1 CS21484 [0,2,0,0,0,0|1,0,0]=3 1280 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.176 COC1=CN=C(Br)C(N)=C1 CS12413 [0,2,0,0,0,0|1,0,0]=3 1282 B10R1.176 COC1=CN=C(C)C(Br)=C1 MC104304 [0,2,0,0,0,0|1,0,0]=3 1283 B10R1.176 COC1=CN=C(Cl)C(N)=C1 CS15129 [0,2,0,0,0,0|1,0,0]=3 1284 B10R1.176 COC1=CN=C(N)C(C)=C1 MC110629 [0,2,0,0,0,0|1,0,0]=3 1285 B10R1.176 COC1=CN=C(N)C(F)=C1 MC432577 [0,2,0,0,0,0|1,0,0]=3 1286 B10R1.176 COC1=NC(C)=C(F)C=C1 MC20372 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.176 COC1=NC=C(Br)C(C)=C1 MC20371 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.176 COC1=NC=C(Br)C(C)=N1 MC441022 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.176 COC1=NC=C(Br)C(Cl)=C1 CS12897 [0,2,0,0,0,0|1,0,0]=3 1290 B10R1.176 COC1=NC=C(Br)C(N)=N1 CS12321 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 MC443329 [0,2,0,0,0,0|1,0,0]=3 1292 B10R1.176 COC1=NC=C(F)C(Br)=C1 MC430405 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.176 COC1=NC=C(F)C(Cl)=N1 CS17125 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.176 COC1=NC=C(F)C(N)=C1 MC110902 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.176 COC1=NC=C(F)C(N)=N1 CS13903 [0,2,0,0,0,0|2,0,0]=4 1296 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 MC103849 [0,2,0,0,0,0|0,1,0]=3 1297 B10R1.2 COC1=C(Br)C(Cl)=CC=C1 MC41311 [0,2,0,0,0,0|2,0,0]=4 1298 B10R1.2 COC1=C(Br)C(F)=CC=C1 MC429428 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.2 COC1=C(Br)C(I)=CC=C1 MC41319 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.2 COC1=C(C)C(C)=CC=C1 MC20206 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.2 COC1=C(C)C(Cl)=CC=C1 MC20115 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.2 COC1=C(F)C(Br)=CC=C1 MC20208 [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.2 COC1=C(I)C(F)=CC=C1 MC433387 [0,2,0,0,0,0|2,0,0]=4 1304 B10R1.2 COC1=C(I)C(N)=CC=C1 MC433348 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.2 COC1=C(N)C(C)=CC=C1 MC427399 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.2 COC1=C(N)C(Cl)=NC=N1 CS12406 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.2 COC1=C(N)C(N)=CC=C1 CS12559 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.2 COC1=CC=CC(Br)=C1C MC442371 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.2 COC1=CC=CC(Br)=C1I CS14393 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.2 COC1=CC=CC(Br)=C1O MC442834 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.2 COC1=CC=CC(Cl)=C1N CS16113 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.2 COC1=CC=CC(Cl)=C1O MC441233 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.2 COC1=CC=CC(F)=C1F CS21031 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.2 COC1=CC=CC(F)=C1N CS21557 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.2 COC1=CC=CC(F)=C1O MC433388 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.2 COC1=CC=CC(I)=C1C MC442370 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.2 COC1=CC=CC(N)=C1Br CS21335 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.2 COC1=CC=CC(N)=C1C CS10556 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.2 COC1=CC=CC(N)=C1Cl CS18618 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.2 COC1=CC=CC(N)=C1Cl MC428124 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.2 COC1=CC=CC(N)=C1F CS12736 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.2 COC1=CC=CC(N)=C1O CS17187 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.2 COC1=CC=CC(N)=C1O MC121305 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.2 COC1=CC=CC(O)=C1Br MC443182 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.2 COC1=CC=CC(O)=C1Cl CS21434 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.2 COC1=CC=CC(O)=C1F MC442393 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.2 COC1=CC=CC(O)=C1I MC111957 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.2 COC1=CC=CC(O)=C1N CS16742 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.2 COC1=CN=CC(Cl)=C1N MC431893 [0,2,0,0,0,0|1,0,0]=3 1330 B10R1.2 COC1=CN=CC(F)=C1Br MC429481 [0,2,0,0,0,0|1,0,0]=3 1331 B10R1.2 COC1=CN=CC(F)=C1Cl MC429483 [0,2,0,0,0,0|1,0,0]=3 1332 B10R1.2 COC1=NC=CC(Br)=C1C MC427103 [0,2,0,0,0,0|1,0,0]=3 1333 B10R1.2 COC1=NC=CC(C)=C1Br MC433060 [0,2,0,0,0,0|1,0,0]=3 1334 B10R1.2 COC1=NC=CC(C)=C1N MC425798 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.2 COC1=NC=CC(N)=C1N MC427324 [0,2,0,0,0,0|1,0,0]=3 1336 B10R1.2 COC1=NC=CC(O)=C1Cl MC432620 [0,2,0,0,0,0|1,0,0]=3 1337 B10R1.2 COC1=NC=NC(C)=C1Br MC425701 [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.8 COC1=CC(Br)=CC(Br)=C1 CS10386 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 CS12661 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 CS17141 [0,2,0,0,0,0|1,0,0]=3 1341 B10R1.8 COC1=CC(Br)=CC(F)=C1 CS10395 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.8 COC1=CC(C)=CC(Br)=C1 CS20982 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.8 COC1=CC(C)=CC(C)=C1 MC41339 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.8 COC1=CC(C)=CC(Cl)=C1 MC443209 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.8 COC1=CC(C)=CC(N)=C1 CS13172 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.8 COC1=CC(Cl)=CC(Cl)=C1 MC20180 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.8 COC1=CC(Cl)=CC(F)=C1 MC41329 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.8 COC1=CC(Cl)=CC(N)=N1 CS17883 [0,2,0,0,0,0|1,0,0]=3 1349 B10R1.8 COC1=CC(Cl)=NC(C)=N1 CS12795 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.8 COC1=CC(Cl)=NC(Cl)=N1 CS13308 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.8 COC1=CC(Cl)=NC(N)=N1 CS21807 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.8 COC1=CC(F)=CC(F)=C1 MC20076 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.8 COC1=CC(I)=CC(F)=N1 MC441827 [0,2,0,0,0,0|1,0,0]=3 1354 B10R1.8 COC1=CC(N)=CC(Br)=C1 MC40874 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.8 COC1=CC(N)=CC(Cl)=N1 MC105789 [0,2,0,0,0,0|1,0,0]=3 1356 B10R1.8 COC1=CC(N)=CC(F)=C1 CS12734 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.8 COC1=CC(O)=CC(Br)=C1 MC433362 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.8 COC1=CC(O)=CC(Cl)=C1 CS22226 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.8 COC1=CC(O)=CC(F)=C1 CS14749 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.8 COC1=CC(O)=CC(I)=C1 MC430212 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.8 COC1=NC(Br)=NC(C)=C1 CS18105 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.8 COC1=NC(Cl)=CC(Cl)=N1 CS13496 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.8 COC1=NC(Cl)=CC(N)=N1 MC445709 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.8 COC1=NC(Cl)=NC(C)=C1 MC442783 [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.8 COC1=NC(N)=NC(C)=C1 CS19550 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.8 COC1=NC(O)=CC(O)=N1 CS22511 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.10 CC#CC1=CN=CC(Br)=C1 MC106739 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.10 CCNC1=NC=CC(N)=C1 CS14774 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.10 CCOC1=CC(N)=NC=N1 MC443763 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [0,2,0,0,0,0|1,0,0]=3 1371 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [0,2,0,0,0,0|1,0,0]=3 1372 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [0,2,0,0,0,0|1,0,0]=3 1373 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [0,2,0,0,0,0|1,0,0]=3 1374 B10R1.10 CNCC1=CC(F)=CN=C1 MC105914 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.10 CNCC1=NC=CC(Cl)=C1 MC102697 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.30 C#CC1=NC(Br)=CN=C1N CS12180 [0,2,0,0,0,0|1,0,1]=4 1377 B10R1.30 CC1=CN=C(C)C(C#N)=N1 MC427275 [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.30 CCC1=NC(Cl)=CC=C1N MC431979 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.30 CNC1=NC(Br)=CN=C1N MC425491 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.30 COC1=C(Br)C=CC(Br)=C1 CS12737 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS10394 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.30 COC1=C(Br)C=CC(I)=C1 MC33199 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS18102 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.30 COC1=C(Br)C=CC(N)=N1 MC429703 [0,2,0,0,0,0|1,0,0]=3 1389 B10R1.30 COC1=C(Br)C=CC(O)=C1 MC443538 [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.30 COC1=C(Br)N=CC(N)=C1 CS12409 [0,2,0,0,0,0|1,0,0]=3 1391 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.30 COC1=C(C)C=CC(N)=C1 MC40926 [0,2,0,0,0,0|2,0,0]=4 1393 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 MC33062 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [0,2,0,0,0,0|2,0,0]=4 1395 B10R1.30 COC1=C(Cl)C=CC(F)=C1 MC41328 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.30 COC1=C(Cl)C=CC(I)=C1 MC20290 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS22759 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.30 COC1=C(Cl)C=CC(O)=C1 MC441231 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.30 COC1=C(Cl)N=CC(O)=C1 MC103609 [0,2,0,0,0,0|1,0,0]=3 1400 B10R1.30 COC1=C(Cl)N=NC(Cl)=C1 CS12992 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS19804 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.30 COC1=C(F)C=CC(F)=C1 MC41336 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.30 COC1=C(F)C=CC(N)=C1 CS10516 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.30 COC1=C(F)C=CC(O)=C1 CS16180 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.30 COC1=C(I)C=CC(Br)=C1 MC41321 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.30 COC1=C(I)C=CC(F)=C1 MC41340 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.30 COC1=C(I)C=CC(I)=C1 MC442228 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.30 COC1=C(N)C=CC(Br)=C1 CS19178 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.30 COC1=C(N)C=CC(F)=C1 CS12096 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.30 COC1=C(N)C=CC(F)=C1 MC40917 [0,2,0,0,0,0|2,0,0]=4 1413 B10R1.30 COC1=C(N)C=CC(I)=C1 MC21014 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.30 COC1=C(N)C=CC(N)=C1 CS21132 [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [0,2,0,0,0,0|2,0,0]=4 1417 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.30 COC1=CC(Br)=CN=C1Cl CS10254 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.30 COC1=CC(Br)=CN=C1F MC429568 [0,2,0,0,0,0|1,0,0]=3 1425 B10R1.30 COC1=CC(Br)=CN=C1N CS14023 [0,2,0,0,0,0|1,0,0]=3 1426 B10R1.30 COC1=CC(Br)=CNC1=O MC432413 [0,2,0,0,0,0|1,0,1]=4 1427 B10R1.30 COC1=CC(F)=CN=C1Br MC432342 [0,2,0,0,0,0|1,0,0]=3 1428 B10R1.30 COC1=CC(F)=CN=C1Cl MC432017 [0,2,0,0,0,0|1,0,0]=3 1429 B10R1.30 COC1=CC(I)=CN=C1Br MC442221 [0,2,0,0,0,0|1,0,0]=3 1430 B10R1.30 COC1=CC(I)=CN=C1I MC442220 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.30 COC1=CC(O)=CN=C1Br MC429848 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.30 COC1=NC(Br)=CC=C1F MC432018 [0,2,0,0,0,0|1,0,0]=3 1433 B10R1.30 COC1=NC(Br)=CC=C1N CS18540 [0,2,0,0,0,0|1,0,0]=3 1434 B10R1.30 COC1=NC(Br)=CN=C1Br MC442481 [0,2,0,0,0,0|0,0,0]=2 1435 B10R1.30 COC1=NC(Br)=CN=C1Cl MC41665 [0,2,0,0,0,0|0,0,0]=2 1436 B10R1.30 COC1=NC(Br)=CN=C1I CS16000 [0,2,0,0,0,0|0,0,0]=2 1437 B10R1.30 COC1=NC(Br)=CN=C1N CS12445 [0,2,0,0,0,0|0,0,0]=2 1438 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [0,2,0,0,0,0|1,0,0]=3 1439 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [0,2,0,0,0,0|1,0,0]=3 1440 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [0,2,0,0,0,0|1,0,0]=3 1441 B10R1.30 COC1=NC(Cl)=CC=C1Br CS16211 [0,2,0,0,0,0|1,0,0]=3 1442 B10R1.30 COC1=NC(Cl)=CC=C1F MC432020 [0,2,0,0,0,0|1,0,0]=3 1443 B10R1.30 COC1=NC(Cl)=CC=C1N CS10669 [0,2,0,0,0,0|1,0,0]=3 1444 B10R1.30 COC1=NC(Cl)=CN=C1N CS12869 [0,2,0,0,0,0|0,0,0]=2 1445 B10R1.30 COC1=NC(Cl)=NC=C1Br CS10257 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.30 COC1=NC(Cl)=NC=C1C MC107229 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.30 COC1=NC(F)=CC=C1Br MC429643 [0,2,0,0,0,0|1,0,0]=3 1448 B10R1.30 COC1=NC(N)=NC=C1Br CS13148 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.30 COC1=NC(N)=NC=C1I CS13040 [0,2,0,0,0,0|2,0,0]=4 1450 B10R1.30 N#CC1=NC(Br)=CN=C1Br MC113793 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.30 N#CC1=NC(Br)=CN=C1Cl MC113792 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.30 N#CC1=NC(Br)=CN=C1N CS18047 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl CS16841 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.30 N#CC1=NC(Cl)=CN=C1N CS12855 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.30 N#CC1=NC(F)=CN=C1F MC430335 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.30 NC1=NC=C(Br)N=C1C=O CS15016 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.30 NC1=NC=C(Br)N=C1CO MC106405 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl MC104278 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS14905 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 MC33456 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.172 C#CC1=NC=CC(OC)=N1 MC107225 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.172 CCC1=CC=CC(C#N)=N1 MC104283 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.172 COC1=CC(CN)=NC=N1 MC104626 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.172 COC1=CC(OC)=NC=C1 CS18092 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.172 COC1=CC=CC(C#N)=N1 MC425417 [0,2,0,0,0,0|1,0,0]=3 1486 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [0,2,0,0,0,0|1,0,0]=3 1488 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [0,2,0,0,0,0|1,0,0]=3 1490 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [0,2,0,0,0,0|1,0,0]=3 1495 B10R1.172 COC1=CN=CC(C#N)=C1 MC425494 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.172 COC1=CN=CC(OC)=C1 CS17332 [0,2,0,0,0,0|1,0,0]=3 1498 B10R1.172 COC1=CN=CC(OC)=N1 MC425619 [0,2,0,0,0,0|0,0,0]=2 1499 B10R1.172 COC1=NC(C#N)=CN=C1 CS10728 [0,2,0,0,0,0|0,0,0]=2 1500 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [0,2,0,0,0,0|2,0,0]=4 1501 B10R1.172 COC1=NC=CC(C#N)=C1 CS22801 [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [0,2,0,0,0,0|1,0,0]=3 1503 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [0,2,0,0,0,0|1,0,0]=3 1505 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [0,2,0,0,0,0|1,0,0]=3 1506 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [0,2,0,0,0,0|2,0,0]=4 1507 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,2,0,0,0,0|1,0,0]=3 1508 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,2,0,0,0,0|1,0,0]=3 1509 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,2,0,0,0,0|1,0,0]=3 1512 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,2,0,0,0,0|1,0,0]=3 1515 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [0,2,0,0,0,0|2,0,0]=4 1528 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,2,0,0,0,0|1,0,0]=3 1536 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,2,0,0,0,0|1,0,0]=3 1537 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.61 CN(C)C1=NC=CN=C1N CS21223 [0,2,0,0,0,0|1,0,0]=3 1542 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [0,2,0,0,0,0|2,0,0]=4 1544 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,2,0,0,0,0|2,0,0]=4 1545 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,2,0,0,0,0|2,0,0]=4 1547 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl MC115890 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.4 CC1=CC=CN=C1CCN MC33439 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [0,2,0,0,0,0|1,0,0]=3 1554 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.4 CCOC1=CC=CN=C1C MC443397 [0,2,0,0,0,0|1,0,0]=3 1556 B10R1.4 CCOC1=CC=CN=C1O MC110935 [0,2,0,0,0,0|1,0,0]=3 1557 B10R1.4 CCOC1=CN=CN=C1N CS17842 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.4 CCOC1=NC=CN=C1N CS21230 [0,2,0,0,0,0|0,0,0]=2 1559 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.4 N#CCC1=NC=CN=C1Cl MC444257 [0,2,0,0,0,0|1,0,1]=4 1561 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [0,2,0,0,0,0|2,0,0]=4 1564 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [0,2,0,0,0,0|2,0,0]=4 1565 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [0,2,0,0,0,0|1,0,0]=3 1567 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [0,2,0,0,0,0|1,0,0]=3 1573 B10R1.20 C#CC1=C(OC)C=CC=C1 CS21618 [0,2,0,0,0,0|2,0,0]=4 1574 B10R1.20 CCC1=C(C#N)C=CN=C1 MC427151 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.20 CNC1=NC=CC=C1CO CS10541 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.20 COC1=C(C#N)C=CC=C1 CS19247 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.20 COC1=C(C#N)C=CC=N1 MC425657 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [0,2,0,0,0,0|1,0,0]=3 1579 B10R1.20 COC1=C(C=O)C=CN=C1 MC442707 [0,2,0,0,0,0|1,0,0]=3 1580 B10R1.20 COC1=C(CCl)C=CC=C1 MC20247 [0,2,0,0,0,0|2,0,0]=4 1581 B10R1.20 COC1=C(CN)C=CC=C1 CS15681 [0,2,0,0,0,0|2,0,0]=4 1582 B10R1.20 COC1=C(CN)N=NC=N1 MC105033 [0,2,0,0,0,0|1,0,0]=3 1583 B10R1.20 COC1=C(NN)C=CC=C1 CS19579 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.20 COC1=C(NN)C=CC=C1 MC433991 [0,2,0,0,0,0|2,0,0]=4 1585 B10R1.20 COC1=C(OC)C=CC=C1 CS12067 [0,2,0,0,0,0|2,0,0]=4 1586 B10R1.20 COC1=CC=CN=C1C#N MC10410 [0,2,0,0,0,0|1,0,0]=3 1587 B10R1.20 COC1=CC=CN=C1CBr CS13321 [0,2,0,0,0,0|1,0,0]=3 1588 B10R1.20 COC1=CC=CN=C1CN CS18076 [0,2,0,0,0,0|1,0,0]=3 1589 B10R1.20 COC1=CC=CN=C1CN MC431773 [0,2,0,0,0,0|1,0,0]=3 1590 B10R1.20 COC1=CC=CN=C1NN MC106439 [0,2,0,0,0,0|1,0,0]=3 1591 B10R1.20 COC1=CC=CN=C1OC CS14783 [0,2,0,0,0,0|1,0,0]=3 1592 B10R1.20 COC1=CN=CN=C1C#N MC428138 [0,2,0,0,0,0|2,0,0]=4 1593 B10R1.20 COC1=NC=CC=C1CCl CS16832 [0,2,0,0,0,0|1,0,0]=3 1594 B10R1.20 COC1=NC=CC=C1CN CS14780 [0,2,0,0,0,0|1,0,0]=3 1595 B10R1.20 COC1=NC=CC=C1CN CS17327 [0,2,0,0,0,0|1,0,0]=3 1596 B10R1.20 COC1=NC=CC=C1CO CS13650 [0,2,0,0,0,0|1,0,0]=3 1597 B10R1.20 ClCC1=NC=CN=C1CCl MC115961 [0,2,0,0,0,0|2,0,0]=4 1598 B10R1.245 COC1=C(Br)C=CC=C1Br CS21160 [0,2,0,0,0,0|2,0,0]=4 1599 B10R1.245 COC1=C(Br)C=CC=C1Cl MC41312 [0,2,0,0,0,0|2,0,0]=4 1600 B10R1.245 COC1=C(Br)C=CC=C1F MC30007 [0,2,0,0,0,0|2,0,0]=4 1601 B10R1.245 COC1=C(Br)C=CN=C1Br MC111574 [0,2,0,0,0,0|1,0,0]=3 1602 B10R1.245 COC1=C(Cl)C=CC=C1Cl MC41334 [0,2,0,0,0,0|2,0,0]=4 1603 B10R1.245 COC1=C(Cl)C=CC=C1F CS12979 [0,2,0,0,0,0|2,0,0]=4 1604 B10R1.245 COC1=C(Cl)N=CN=C1Cl CS17497 [0,2,0,0,0,0|2,0,0]=4 1605 B10R1.245 COC1=C(Cl)N=CN=C1N CS14562 [0,2,0,0,0,0|2,0,0]=4 1606 B10R1.245 COC1=C(F)C=CC=C1F MC30190 [0,2,0,0,0,0|2,0,0]=4 1607 B10R1.245 COC1=C(F)C=CC=C1I MC20137 [0,2,0,0,0,0|2,0,0]=4 1608 B10R1.245 COC1=C(F)C=CN=C1Br MC431066 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.245 COC1=C(N)C=CC=C1Cl MC442093 [0,2,0,0,0,0|2,0,0]=4 1610 B10R1.245 COC1=C(N)C=CC=C1F MC20133 [0,2,0,0,0,0|2,0,0]=4 1611 B10R1.245 COC1=C(O)C=CC=C1Br MC441228 [0,2,0,0,0,0|2,0,0]=4 1612 B10R1.245 COC1=C(O)C=CC=C1Cl MC441015 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.245 COC1=C(O)C=CC=C1F MC442390 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.245 COC1=[N+]([O-])C=CC=C1C MC427230 [0,2,0,0,0,0|1,0,1]=4 1615 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [0,1,0,1,0,0|2,0,0]=4 1616 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [0,1,0,1,0,0|2,0,0]=4 1617 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [0,1,0,1,0,0|2,0,0]=4 1618 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [0,1,0,1,0,0|2,0,0]=4 1619 B10R2.7 C1=CC2=C(C=N1)CNC2 MC425268 [0,1,0,1,0,0|2,0,0]=4 1620 B10R2.7 C1=CC2=C(C=N1)CNC2 MC428164 [0,1,0,1,0,0|2,0,0]=4 1621 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [0,1,0,1,0,0|1,0,1]=4 1622 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [0,1,0,1,0,0|2,0,0]=4 1623 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [0,1,0,1,0,0|2,0,0]=4 1624 B10R2.7 C1=CN=C2CNCC2=C1 CS15341 [0,1,0,1,0,0|2,0,0]=4 1625 B10R2.7 C1=CN=C2CNCC2=N1 MC432066 [0,1,0,1,0,0|1,0,0]=3 1626 B10R2.7 C1=CN=C2CNCC2=N1 MC443527 [0,1,0,1,0,0|1,0,0]=3 1627 B10R2.7 C1=CN=C2NC=CC2=N1 CS22516 [0,1,0,1,0,0|1,0,1]=4 1628 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [0,1,0,1,0,0|2,0,0]=4 1629 B10R2.7 C1=CN=C2NN=CC2=N1 CS14372 [0,1,0,1,0,0|1,0,1]=4 1630 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [0,1,0,1,0,0|1,0,1]=4 1631 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [0,1,0,1,0,0|1,0,0]=3 1632 B10R2.7 C1=CN=C2SC=CC2=N1 CS12514 [0,1,0,1,0,0|0,1,1]=4 1633 B10R2.7 C1=NC=C2N=NCC2=C1 CS18561 [0,1,0,1,0,0|2,0,0]=4 1634 B10R2.7 c1cc2c(cn1)CNC2 MC113094 [0,1,0,1,0,0|2,0,0]=4 1635 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,1,0|2,0,0]=4 1636 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,1,0|2,0,0]=4 1637 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,1,0|2,0,0]=4 1638 B6R1.2 BrC1=CN=CO1 MC105695 [1,0,0,0,1,0|2,0,0]=4 1639 B6R1.2 BrC1=CN=CS1 CS14114 [1,0,0,0,1,0|2,0,0]=4 1640 B6R1.2 BrC1=CNC=N1 CS14270 [1,0,0,0,1,0|1,0,1]=4 1641 B6R1.2 BrC1=CNN=C1 CS13922 [1,0,0,0,1,0|2,0,0]=4 1642 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,1,0|2,0,0]=4 1643 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,1,0|2,0,0]=4 1644 B6R1.2 BrC1=CSC=N1 MC20197 [1,0,0,0,1,0|2,0,0]=4 1645 B6R1.2 BrC1=NC=CN1 CS19858 [1,0,0,0,1,0|1,0,1]=4 1646 B6R1.2 BrC1=NC=CO1 MC104314 [1,0,0,0,1,0|2,0,0]=4 1647 B6R1.2 BrC1=NC=CS1 CS14242 [1,0,0,0,1,0|2,0,0]=4 1648 B6R1.2 BrC1=NC=NS1 CS14599 [1,0,0,0,1,0|2,0,0]=4 1649 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,1,0|2,0,0]=4 1650 B6R1.2 BrC1=NNC=N1 CS22126 [1,0,0,0,1,0|2,0,0]=4 1651 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,1,0|2,0,0]=4 1652 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,1,0|2,0,0]=4 1653 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,1,0|0,0,1]=3 1654 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,1,0|1,0,0]=3 1655 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,1,0|1,0,0]=3 1656 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,1,0|1,0,0]=3 1657 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,1,0|1,0,0]=3 1658 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,1,0|0,0,1]=3 1659 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,1,0|0,0,1]=3 1660 B6R1.2 CC1=CNN=C1 CS22982 [1,0,0,0,1,0|1,0,0]=3 1661 B6R1.2 CC1=CNN=N1 CS12910 [1,0,0,0,1,0|1,0,1]=4 1662 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,1,0|1,0,0]=3 1663 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,1,0|1,0,0]=3 1664 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,1,0|1,0,0]=3 1665 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,1,0|1,0,0]=3 1666 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,1,0|2,0,0]=4 1667 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,1,0|1,0,0]=3 1668 B6R1.2 CC1=NNC=N1 CS22353 [1,0,0,0,1,0|1,0,0]=3 1669 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,1,0|1,0,0]=3 1670 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,1,0|2,0,0]=4 1671 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,1,0|1,0,0]=3 1672 B6R1.2 CN1C=CN=C1 CS19753 [1,0,0,0,1,0|1,0,0]=3 1673 B6R1.2 CN1C=CN=N1 CS20743 [1,0,0,0,1,0|2,0,0]=4 1674 B6R1.2 CN1C=NC=N1 CS20744 [1,0,0,0,1,0|1,0,0]=3 1675 B6R1.2 CN1C=NN=C1 MC20987 [1,0,0,0,1,0|2,0,0]=4 1676 B6R1.2 CN1C=NN=N1 MC445043 [1,0,0,0,1,0|2,0,0]=4 1677 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,1,0|2,0,0]=4 1678 B6R1.2 ClC1=CN=CN1 CS10347 [1,0,0,0,1,0|1,0,1]=4 1679 B6R1.2 ClC1=CNN=C1 CS18764 [1,0,0,0,1,0|2,0,0]=4 1680 B6R1.2 ClC1=CSC=N1 CS14317 [1,0,0,0,1,0|2,0,0]=4 1681 B6R1.2 ClC1=NC=CO1 MC106420 [1,0,0,0,1,0|2,0,0]=4 1682 B6R1.2 ClC1=NC=NS1 CS13994 [1,0,0,0,1,0|2,0,0]=4 1683 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,1,0|2,0,0]=4 1684 B6R1.2 ClC1=NNC=N1 CS13947 [1,0,0,0,1,0|2,0,0]=4 1685 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,1,0|2,0,0]=4 1686 B6R1.2 FC1=CN=CN1 MC429981 [1,0,0,0,1,0|1,0,1]=4 1687 B6R1.2 FC1=NC=CN1 MC430938 [1,0,0,0,1,0|1,0,1]=4 1688 B6R1.2 FC1=NC=CN1 MC431135 [1,0,0,0,1,0|1,0,1]=4 1689 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,1,0|2,0,0]=4 1690 B6R1.2 IC1=CN=CS1 MC441132 [1,0,0,0,1,0|2,0,0]=4 1691 B6R1.2 IC1=CNC=N1 CS14306 [1,0,0,0,1,0|1,0,1]=4 1692 B6R1.2 IC1=CNN=C1 CS14308 [1,0,0,0,1,0|2,0,0]=4 1693 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,1,0|2,0,0]=4 1694 B6R1.2 IC1=NC=CN1 CS21881 [1,0,0,0,1,0|1,0,1]=4 1695 B6R1.2 IC1=NC=CO1 MC103755 [1,0,0,0,1,0|2,0,0]=4 1696 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,1,0|2,0,0]=4 1697 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,1,0|2,0,0]=4 1698 B6R1.2 NC1=CNC=N1 CS16117 [1,0,0,0,1,0|1,0,1]=4 1699 B6R1.2 NC1=CNN=C1 CS18307 [1,0,0,0,1,0|2,0,0]=4 1700 B6R1.2 NC1=COC=N1 MC121309 [1,0,0,0,1,0|2,0,0]=4 1701 B6R1.2 NC1=CON=C1 CS15739 [1,0,0,0,1,0|2,0,0]=4 1702 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,1,0|2,0,0]=4 1703 B6R1.2 NC1=CSC=N1 MC106910 [1,0,0,0,1,0|2,0,0]=4 1704 B6R1.2 NC1=CSC=N1 MC121317 [1,0,0,0,1,0|2,0,0]=4 1705 B6R1.2 NC1=NC=CN1 CS13716 [1,0,0,0,1,0|1,0,1]=4 1706 B6R1.2 NC1=NC=CN1 CS16946 [1,0,0,0,1,0|1,0,1]=4 1707 B6R1.2 NC1=NC=CO1 CS19070 [1,0,0,0,1,0|2,0,0]=4 1708 B6R1.2 NC1=NC=CS1 CS16381 [1,0,0,0,1,0|2,0,0]=4 1709 B6R1.2 NC1=NC=NN1 CS15608 [1,0,0,0,1,0|2,0,0]=4 1710 B6R1.2 NC1=NC=NS1 CS13953 [1,0,0,0,1,0|2,0,0]=4 1711 B6R1.2 NC1=NC=NS1 CS15183 [1,0,0,0,1,0|2,0,0]=4 1712 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,1,0|2,0,0]=4 1713 B6R1.2 NC1=NNC=N1 CS22032 [1,0,0,0,1,0|2,0,0]=4 1714 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,1,0|2,0,0]=4 1715 B6R1.2 NN1C=CC=N1 MC105737 [1,0,0,0,1,0|2,0,0]=4 1716 B6R1.2 OC1=CNN=C1 MC41691 [1,0,0,0,1,0|1,0,0]=3 1717 B6R1.2 OC1=NC=CS1 CS12100 [1,0,0,0,1,0|1,0,0]=3 1718 B6R1.2 ON1C=CC=N1 CS12818 [1,0,0,0,1,0|1,0,0]=3