0 B6R1.1 C1=CC=NC=C1 CS19760 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 C1=CC=NC=C1 MC21088 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1=CC=NC=C1 MC32204 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1=CC=NC=C1 MC41630 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 C1=CC=[NH+]C=C1 MC20763 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.1 C1=CCNCC1 MC444071 [0,0,0,0,0,0|1,0,3]=4 6 B6R1.1 C1=CCOCC1 MC427315 [0,0,0,0,0,0|1,0,3]=4 7 B6R1.1 C1=CCSCC1 MC427366 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.1 C1=CN=CC=N1 MC20792 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.1 C1=CN=NC=C1 CS11905 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.1 C1=COCCC1 MC20500 [0,0,0,0,0,0|1,0,3]=4 11 B6R1.1 C1=NC=NC=N1 CS20497 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.1 c1ccccc1 MC444977 [0,0,0,0,0,0|0,0,0]=0 13 B7R1.3 BrC1=CC=CC=C1 MC41456 [0,1,0,0,0,0|0,0,0]=1 14 B7R1.3 BrC1=CC=CN=C1 CS19218 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 BrC1=CC=NC=C1 CS13376 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 BrC1=CN=CN=C1 CS22560 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 BrC1=CN=NC=C1 MC427110 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.3 BrC1=NC=CC=C1 CS17815 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 BrC1=NC=CC=N1 CS13369 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.3 BrC1=NC=CN=C1 CS15000 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.3 BrC1=NC=NC=C1 MC106563 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.3 CC1=CC=CN=C1 MC107850 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 CC1=CC=CN=N1 CS22374 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1=CC=NC=C1 MC31239 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 CC1=CC=NC=C1 MC41625 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.3 CC1=CN=CN=C1 CS18851 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.3 CC1=CN=NC=C1 CS22983 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.3 CC1=NC=CC=C1 MC41623 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 CC1=NC=NC=C1 CS19795 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.3 C[N+]1=CC=CC=C1 CS17683 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 ClC1=CC=CC=C1 MC41469 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.3 ClC1=CC=CN=N1 MC444264 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 ClC1=CC=NC=C1 CS13378 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 ClC1=CN=CN=C1 CS15471 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.3 ClC1=CN=NC=C1 MC427202 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.3 ClC1=NC=CC=C1 MC20672 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 ClC1=NC=CC=N1 MC10446 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.3 ClC1=NC=CN=C1 CS15454 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.3 ClC1=NC=NC=C1 MC444346 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.3 FC1=CC=CC=C1 MC41489 [0,1,0,0,0,0|0,0,0]=1 41 B7R1.3 FC1=CC=CN=C1 MC20006 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 FC1=CC=NC=C1 MC429573 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 FC1=CC=NC=C1 MC433050 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 FC1=NC=CC=C1 MC20005 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 FC1=NC=CC=N1 MC429402 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.3 FC1=NC=CN=C1 MC33147 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.3 F[N+]1=CC=CC=C1 MC426120 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.3 F[N+]1=CC=CC=C1 MC429468 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 IC1=CC=CC=C1 CS19958 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.3 IC1=CN=CN=C1 CS12325 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 IC1=NC=CC=C1 CS14565 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 IC1=NC=CC=N1 CS14968 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.3 IC1=NC=CN=C1 MC425096 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.3 IC1=NC=NC=C1 MC442584 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.3 NC1=CC=CC=C1 MC40851 [0,1,0,0,0,0|0,0,0]=1 56 B7R1.3 NC1=CC=CN=C1 CS19073 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NC1=CC=CN=N1 CS18539 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.3 NC1=CC=CN=N1 CS19775 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.3 NC1=CC=NC=C1 MC20017 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.3 NC1=CN=CN=C1 CS18383 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.3 NC1=CN=NC=C1 CS18154 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.3 NC1=NC=CC=C1 MC41600 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.3 NC1=NC=CC=N1 CS13370 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.3 NC1=NC=CN=C1 CS16102 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.3 NC1=NC=NC=C1 CS19707 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.3 O=C1C=CC=CN1 CS18724 [0,1,0,0,0,0|1,0,0]=2 67 B7R1.3 O=C1C=CC=NN1 CS19793 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,0,0,0|0,0,3]=4 69 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,0,0,0|1,0,2]=4 70 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.3 O=C1C=CN=CN1 CS19105 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.3 O=C1C=CNN=C1 MC427203 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.3 OC1=CC=CC=C1 MC41210 [0,1,0,0,0,0|0,0,0]=1 74 B7R1.3 OC1=CC=CN=C1 CS17813 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.3 OC1=CC=NC=C1 CS19216 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.3 OC1=CN=CN=C1 CS10407 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.3 OC1=CN=NC=C1 CS17666 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.3 OC1=NC=CC=C1 CS21602 [0,1,0,0,0,0|1,0,0]=2 79 B7R1.3 OC1=NC=CC=N1 CS14246 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.3 OC1=NC=CC=N1 CS16090 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.3 OC1=NC=CC=N1 MC41651 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.3 OC1=NC=CN=C1 CS21601 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.3 OC1=NC=NC=C1 CS15728 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.3 PC1=CC=CC=C1 MC444841 [0,1,0,0,0,0|0,0,0]=1 85 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [0,1,0,0,0,0|0,0,0]=1 86 B5R1.1 C1=CCNC1 MC10278 [0,0,0,0,1,0|1,0,2]=4 87 B5R1.1 C1=CNC=C1 MC20798 [0,0,0,0,1,0|1,0,0]=2 88 B5R1.1 C1=CNC=N1 CS19767 [0,0,0,0,1,0|2,0,0]=3 89 B5R1.1 C1=CNN=C1 CS18933 [0,0,0,0,1,0|2,0,0]=3 90 B5R1.1 C1=CNN=N1 CS18218 [0,0,0,0,1,0|3,0,0]=4 91 B5R1.1 C1=CON=C1 MC20462 [0,0,0,0,1,0|2,0,0]=3 92 B5R1.1 C1=CSC=C1 MC41709 [0,0,0,0,1,0|1,0,0]=2 93 B5R1.1 C1=CSC=N1 MC425154 [0,0,0,0,1,0|2,0,0]=3 94 B5R1.1 C1=CSN=C1 MC20995 [0,0,0,0,1,0|2,0,0]=3 95 B5R1.1 C1=C[CH-]C=C1 MC21078 [0,0,0,0,1,0|0,0,1]=2 96 B5R1.1 C1=NC=NN1 CS19896 [0,0,0,0,1,0|3,0,0]=4 97 B4R0.2 C\C=C\C=O MC41879 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,1,1,0,0,0|1,0,0]=3 99 B6R1.2 BrC1=CC=CS1 CS21414 [0,1,0,0,1,0|1,0,0]=3 100 B6R1.2 BrC1=CC=C[Se]1 MC114898 [0,1,0,0,1,0|1,0,0]=3 101 B6R1.2 BrC1=CC=NN1 CS17757 [0,1,0,0,1,0|2,0,0]=4 102 B6R1.2 BrC1=CN=CO1 MC105695 [0,1,0,0,1,0|2,0,0]=4 103 B6R1.2 BrC1=CN=CS1 CS14114 [0,1,0,0,1,0|2,0,0]=4 104 B6R1.2 BrC1=CNC=N1 CS14270 [0,1,0,0,1,0|2,0,0]=4 105 B6R1.2 BrC1=CNN=C1 CS13922 [0,1,0,0,1,0|2,0,0]=4 106 B6R1.2 BrC1=COC=C1 CS19877 [0,1,0,0,1,0|1,0,0]=3 107 B6R1.2 BrC1=CSC=C1 CS21415 [0,1,0,0,1,0|1,0,0]=3 108 B6R1.2 BrC1=CSC=N1 MC20197 [0,1,0,0,1,0|2,0,0]=4 109 B6R1.2 BrC1=NC=CN1 CS19858 [0,1,0,0,1,0|2,0,0]=4 110 B6R1.2 BrC1=NC=CO1 MC104314 [0,1,0,0,1,0|2,0,0]=4 111 B6R1.2 BrC1=NC=CS1 CS14242 [0,1,0,0,1,0|2,0,0]=4 112 B6R1.2 BrC1=NNC=C1 CS19717 [0,1,0,0,1,0|2,0,0]=4 113 B6R1.2 BrC1=NOC=C1 MC113742 [0,1,0,0,1,0|2,0,0]=4 114 B6R1.2 BrC1=NSC=C1 CS11529 [0,1,0,0,1,0|2,0,0]=4 115 B6R1.2 CC1=CC=CN1 CS21660 [0,1,0,0,1,0|1,0,0]=3 116 B6R1.2 CC1=CC=CO1 MC41695 [0,1,0,0,1,0|1,0,0]=3 117 B6R1.2 CC1=CC=CS1 CS21701 [0,1,0,0,1,0|1,0,0]=3 118 B6R1.2 CC1=CC=NN1 MC21108 [0,1,0,0,1,0|2,0,0]=4 119 B6R1.2 CC1=CN=CS1 CS10460 [0,1,0,0,1,0|2,0,0]=4 120 B6R1.2 CC1=CNC=C1 MC20689 [0,1,0,0,1,0|1,0,0]=3 121 B6R1.2 CC1=CNC=N1 MC20397 [0,1,0,0,1,0|2,0,0]=4 122 B6R1.2 CC1=CNN=C1 CS22982 [0,1,0,0,1,0|2,0,0]=4 123 B6R1.2 CC1=COC=N1 MC427478 [0,1,0,0,1,0|2,0,0]=4 124 B6R1.2 CC1=CSC=N1 CS15621 [0,1,0,0,1,0|2,0,0]=4 125 B6R1.2 CC1=NC=CO1 CS11827 [0,1,0,0,1,0|2,0,0]=4 126 B6R1.2 CC1=NC=CS1 CS22598 [0,1,0,0,1,0|2,0,0]=4 127 B6R1.2 CC1=NNC=C1 CS13720 [0,1,0,0,1,0|2,0,0]=4 128 B6R1.2 CC1=NOC=C1 CS11533 [0,1,0,0,1,0|2,0,0]=4 129 B6R1.2 CN1C=CC=C1 CS20770 [0,1,0,0,1,0|1,0,0]=3 130 B6R1.2 CN1C=CC=N1 CS19419 [0,1,0,0,1,0|2,0,0]=4 131 B6R1.2 CN1C=CN=C1 CS19753 [0,1,0,0,1,0|2,0,0]=4 132 B6R1.2 ClC1=CC=NN1 CS16937 [0,1,0,0,1,0|2,0,0]=4 133 B6R1.2 ClC1=CN=CN1 CS10347 [0,1,0,0,1,0|2,0,0]=4 134 B6R1.2 ClC1=CNN=C1 CS18764 [0,1,0,0,1,0|2,0,0]=4 135 B6R1.2 ClC1=CSC=N1 CS14317 [0,1,0,0,1,0|2,0,0]=4 136 B6R1.2 ClC1=NC=CO1 MC106420 [0,1,0,0,1,0|2,0,0]=4 137 B6R1.2 ClC1=NNC=C1 MC103128 [0,1,0,0,1,0|2,0,0]=4 138 B6R1.2 FC1=CC=NN1 MC104307 [0,1,0,0,1,0|2,0,0]=4 139 B6R1.2 FC1=CN=CN1 MC429981 [0,1,0,0,1,0|2,0,0]=4 140 B6R1.2 FC1=NC=CN1 MC430938 [0,1,0,0,1,0|2,0,0]=4 141 B6R1.2 FC1=NC=CN1 MC431135 [0,1,0,0,1,0|2,0,0]=4 142 B6R1.2 IC1=CC=CS1 CS21616 [0,1,0,0,1,0|1,0,0]=3 143 B6R1.2 IC1=CN=CS1 MC441132 [0,1,0,0,1,0|2,0,0]=4 144 B6R1.2 IC1=CNC=N1 CS14306 [0,1,0,0,1,0|2,0,0]=4 145 B6R1.2 IC1=CNN=C1 CS14308 [0,1,0,0,1,0|2,0,0]=4 146 B6R1.2 IC1=CSC=C1 CS22332 [0,1,0,0,1,0|1,0,0]=3 147 B6R1.2 IC1=NC=CN1 CS21881 [0,1,0,0,1,0|2,0,0]=4 148 B6R1.2 IC1=NC=CO1 MC103755 [0,1,0,0,1,0|2,0,0]=4 149 B6R1.2 IC1=NNC=C1 CS13669 [0,1,0,0,1,0|2,0,0]=4 150 B6R1.2 NC1=CC=NS1 MC20989 [0,1,0,0,1,0|2,0,0]=4 151 B6R1.2 NC1=CNC=N1 CS16117 [0,1,0,0,1,0|2,0,0]=4 152 B6R1.2 NC1=CNN=C1 CS18307 [0,1,0,0,1,0|2,0,0]=4 153 B6R1.2 NC1=COC=N1 MC121309 [0,1,0,0,1,0|2,0,0]=4 154 B6R1.2 NC1=CON=C1 CS15739 [0,1,0,0,1,0|2,0,0]=4 155 B6R1.2 NC1=CSC=C1 CS12280 [0,1,0,0,1,0|1,0,0]=3 156 B6R1.2 NC1=CSC=N1 MC106910 [0,1,0,0,1,0|2,0,0]=4 157 B6R1.2 NC1=CSC=N1 MC121317 [0,1,0,0,1,0|2,0,0]=4 158 B6R1.2 NC1=NC=CN1 CS13716 [0,1,0,0,1,0|2,0,0]=4 159 B6R1.2 NC1=NC=CN1 CS16946 [0,1,0,0,1,0|2,0,0]=4 160 B6R1.2 NC1=NC=CO1 CS19070 [0,1,0,0,1,0|2,0,0]=4 161 B6R1.2 NC1=NC=CS1 CS16381 [0,1,0,0,1,0|2,0,0]=4 162 B6R1.2 NC1=NNC=C1 CS22527 [0,1,0,0,1,0|2,0,0]=4 163 B6R1.2 NC1=NOC=C1 CS14368 [0,1,0,0,1,0|2,0,0]=4 164 B6R1.2 NN1C=CC=C1 MC10332 [0,1,0,0,1,0|1,0,0]=3 165 B6R1.2 NN1C=CC=N1 MC105737 [0,1,0,0,1,0|2,0,0]=4 166 B6R1.2 O=C1C=CNN1 MC106502 [0,1,0,0,1,0|2,0,0]=4 167 B6R1.2 O=C1C=CON1 MC442265 [0,1,0,0,1,0|2,0,0]=4 168 B6R1.2 O=C1C=CSN1 MC427073 [0,1,0,0,1,0|2,0,0]=4 169 B6R1.2 O=C1NC=CN1 MC20853 [0,1,0,0,1,0|2,0,0]=4 170 B6R1.2 OC1=CNN=C1 MC41691 [0,1,0,0,1,0|2,0,0]=4 171 B6R1.2 OC1=NC=CS1 CS12100 [0,1,0,0,1,0|2,0,0]=4 172 B6R1.2 ON1C=CC=N1 CS12818 [0,1,0,0,1,0|2,0,0]=4 173 B8R1.2 BrCC1=CC=CN=N1 CS15758 [0,2,0,0,0,0|2,0,0]=4 174 B8R1.2 BrCC1=CC=NC=C1 CS22459 [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 BrCC1=CC=NC=C1 MC111773 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 BrCC1=CN=CN=C1 CS17938 [0,2,0,0,0,0|2,0,0]=4 177 B8R1.2 BrCC1=NC=CC=N1 MC110628 [0,2,0,0,0,0|2,0,0]=4 178 B8R1.2 BrCC1=NC=CN=C1 MC115921 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.2 Br[Mg]c1cccnc1 MC121318 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.2 Br[Zn]c1ccccn1 MC121328 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.2 Br[Zn]c1cccnc1 MC121329 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.2 Br[Zn]c1cncnc1 MC121339 [0,2,0,0,0,0|2,0,0]=4 183 B8R1.2 Br[Zn]c1ncccn1 MC116064 [0,2,0,0,0,0|2,0,0]=4 184 B8R1.2 C#CC1=CC=CC=C1 CS19127 [0,2,0,0,0,0|0,0,0]=2 185 B8R1.2 C#CC1=CC=CN=N1 MC102367 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.2 C#CC1=CC=NC=C1 CS22825 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.2 C#CC1=CN=CN=C1 CS12636 [0,2,0,0,0,0|2,0,0]=4 188 B8R1.2 C#CC1=NC=CC=C1 CS21539 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.2 C#CC1=NC=CC=N1 CS12611 [0,2,0,0,0,0|2,0,0]=4 190 B8R1.2 C#CC1=NC=CN=C1 MC104763 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,2,0,0,0,0|0,0,0]=2 192 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,2,0,0,0,0|1,0,0]=3 193 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,2,0,0,0,0|2,0,0]=4 194 B8R1.2 CNC1=CC=CC=C1 CS11792 [0,2,0,0,0,0|0,0,0]=2 195 B8R1.2 CNC1=CC=CN=C1 CS13856 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 CNC1=CC=NC=C1 MC41620 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.2 COC1=CC=CC=C1 MC41309 [0,2,0,0,0,0|0,0,0]=2 198 B8R1.2 COC1=CC=CN=C1 CS22348 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 COC1=CC=CN=N1 CS22347 [0,2,0,0,0,0|2,0,0]=4 200 B8R1.2 COC1=CC=NC=C1 CS19206 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.2 COC1=CN=CN=C1 MC428182 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.2 COC1=CN=NC=C1 MC427243 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.2 COC1=NC=CC=C1 CS18780 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.2 COC1=NC=CN=C1 CS17887 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,2,0,0,0,0|0,0,0]=2 206 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.2 ClCC1=CC=CN=C1 CS19291 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.2 ClCC1=CC=CN=N1 CS16004 [0,2,0,0,0,0|2,0,0]=4 209 B8R1.2 ClCC1=CC=CN=N1 MC112985 [0,2,0,0,0,0|2,0,0]=4 210 B8R1.2 ClCC1=CN=CN=C1 MC444367 [0,2,0,0,0,0|2,0,0]=4 211 B8R1.2 ClCC1=NC=CC=C1 CS19289 [0,2,0,0,0,0|1,0,0]=3 212 B8R1.2 ClCC1=NC=CC=N1 CS20902 [0,2,0,0,0,0|2,0,0]=4 213 B8R1.2 ClCC1=NC=CN=C1 MC444156 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.2 ICC1=CC=CC=C1 CS11000 [0,2,0,0,0,0|0,0,0]=2 215 B8R1.2 ICC1=CC=CN=C1 MC430640 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.2 I[Zn]c1ccccc1 MC121332 [0,2,0,0,0,0|0,0,0]=2 217 B8R1.2 N#CC1=CC=CC=C1 MC40623 [0,2,0,0,0,0|0,0,0]=2 218 B8R1.2 N#CC1=CC=CN=N1 MC444570 [0,2,0,0,0,0|2,0,0]=4 219 B8R1.2 N#CC1=CC=NC=C1 MC427074 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.2 N#CC1=CN=CC=C1 CS22263 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.2 N#CC1=CN=CN=C1 CS14309 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.2 N#CC1=CN=NC=C1 MC444348 [0,2,0,0,0,0|2,0,0]=4 223 B8R1.2 N#CC1=NC=CC=C1 CS19642 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.2 N#CC1=NC=CC=N1 CS17385 [0,2,0,0,0,0|2,0,0]=4 225 B8R1.2 N#CC1=NC=CN=C1 CS17380 [0,2,0,0,0,0|2,0,0]=4 226 B8R1.2 N#CC1=NC=NC=C1 CS12430 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.2 N#Cc1ccccc1 CS13696 [0,2,0,0,0,0|0,0,0]=2 228 B8R1.2 NCC1=CC=CC=C1 MC40797 [0,2,0,0,0,0|0,0,0]=2 229 B8R1.2 NCC1=CC=CN=C1 CS14226 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.2 NCC1=CC=CN=N1 MC444234 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.2 NCC1=CC=NC=C1 CS11906 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.2 NCC1=CC=NC=C1 CS19023 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.2 NCC1=CN=CN=C1 MC444384 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.2 NCC1=CN=NC=C1 CS15014 [0,2,0,0,0,0|2,0,0]=4 235 B8R1.2 NCC1=CN=NC=C1 CS15515 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.2 NCC1=CN=NC=C1 MC444324 [0,2,0,0,0,0|2,0,0]=4 237 B8R1.2 NCC1=NC=CC=N1 CS21304 [0,2,0,0,0,0|2,0,0]=4 238 B8R1.2 NCC1=NC=CC=N1 MC425460 [0,2,0,0,0,0|2,0,0]=4 239 B8R1.2 NCC1=NC=CN=C1 CS19691 [0,2,0,0,0,0|2,0,0]=4 240 B8R1.2 NCC1=NC=CN=C1 CS20245 [0,2,0,0,0,0|2,0,0]=4 241 B8R1.2 NCC1=NC=NC=C1 MC444325 [0,2,0,0,0,0|2,0,0]=4 242 B8R1.2 NNC1=CC=CC=C1 CS15210 [0,2,0,0,0,0|0,0,0]=2 243 B8R1.2 NNC1=CC=CC=C1 MC427075 [0,2,0,0,0,0|0,0,0]=2 244 B8R1.2 NNC1=CC=CN=C1 CS15491 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.2 NNC1=CC=CN=C1 CS22308 [0,2,0,0,0,0|1,0,0]=3 246 B8R1.2 NNC1=CC=NC=C1 MC20777 [0,2,0,0,0,0|1,0,0]=3 247 B8R1.2 NNC1=CN=CN=C1 MC104575 [0,2,0,0,0,0|2,0,0]=4 248 B8R1.2 NNC1=NC=CC=C1 CS15589 [0,2,0,0,0,0|1,0,0]=3 249 B8R1.2 NNC1=NC=CC=C1 CS21573 [0,2,0,0,0,0|1,0,0]=3 250 B8R1.2 NNC1=NC=CC=N1 MC425172 [0,2,0,0,0,0|2,0,0]=4 251 B8R1.2 NNC1=NC=CN=C1 MC444188 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.2 O=CC1=CN=CN=C1 CS19643 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.2 O=CC1=CN=NC=C1 MC444362 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.2 O=CC1=NC=CC=N1 MC444571 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.2 O=CC1=NC=CN=C1 CS18375 [0,2,0,0,0,0|2,0,0]=4 259 B8R1.2 O=NC1=CC=CC=C1 MC33163 [0,2,0,0,0,0|0,0,0]=2 260 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,2,0,0,0,0|0,0,0]=2 261 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,2,0,0,0,0|1,0,0]=3 262 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,2,0,0,0,0|2,0,0]=4 263 B8R1.2 OCC1=CC=NC=C1 CS19163 [0,2,0,0,0,0|1,0,0]=3 264 B8R1.2 OCC1=CN=CN=C1 MC444370 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.2 OCC1=CN=NC=C1 MC444363 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.2 OCC1=NC=CC=N1 CS19924 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.2 OCC1=NC=CN=C1 CS21749 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.2 OCC1=NC=NC=C1 CS11915 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.2 SCC1=NC=CN=C1 MC110936 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [0,2,0,0,0,0|0,0,0]=2 272 B8R1.3 BrC1=CC=C(Br)N=N1 CS19665 [0,2,0,0,0,0|2,0,0]=4 273 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [0,2,0,0,0,0|0,0,0]=2 274 B8R1.3 BrC1=CN=C(Br)C=C1 CS21792 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.3 BrC1=CN=C(Br)C=N1 CS18888 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.3 BrC1=CN=C(Br)N=C1 CS14147 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.3 BrC1=CN=C(I)C=C1 CS22029 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.3 BrC1=CN=C(I)N=C1 CS15284 [0,2,0,0,0,0|2,0,0]=4 279 B8R1.3 BrC1=NC=C(I)C=C1 CS15803 [0,2,0,0,0,0|1,0,0]=3 280 B8R1.3 BrC1=NC=C(I)C=N1 MC432399 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [0,2,0,0,0,0|0,0,0]=2 282 B8R1.3 CC1=CC=C(Br)N=N1 CS12937 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,2,0,0,0,0|0,0,0]=2 284 B8R1.3 CC1=CC=C(Cl)N=N1 CS17682 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [0,2,0,0,0,0|0,0,0]=2 286 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [0,2,0,0,0,0|0,0,0]=2 287 B8R1.3 CC1=CC=C(I)N=N1 MC444284 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [0,2,0,0,0,0|0,0,0]=2 289 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.3 CC1=CC=C(N)N=N1 MC444230 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,2,0,0,0,0|0,0,0]=2 292 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [0,2,0,0,0,0|0,0,0]=2 295 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.3 CC1=CN=C(Br)N=C1 CS12207 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.3 CC1=CN=C(Cl)C=N1 CS21471 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.3 CC1=CN=C(Cl)N=C1 CS19723 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [0,2,0,0,0,0|1,0,0]=3 302 B8R1.3 CC1=CN=C(I)N=C1 MC443807 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.3 CC1=CN=C(N)C=N1 CS18361 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.3 CC1=CN=C(N)N=C1 CS21761 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.3 CC1=NC=C(Br)C=N1 CS18474 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.3 CC1=NC=C(Cl)C=N1 CS10333 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.3 CC1=NC=C(F)C=N1 CS14641 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.3 CC1=NC=C(N)C=N1 CS14284 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [0,2,0,0,0,0|0,0,0]=2 319 B8R1.3 ClC1=CC=C(Cl)N=N1 CS13684 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [0,2,0,0,0,0|0,0,0]=2 321 B8R1.3 ClC1=CC=C(I)N=N1 CS22233 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.3 ClC1=CN=C(Br)C=C1 CS17275 [0,2,0,0,0,0|1,0,0]=3 323 B8R1.3 ClC1=CN=C(Br)N=C1 MC442585 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.3 ClC1=CN=C(Cl)C=C1 CS13779 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.3 ClC1=CN=C(Cl)C=N1 CS18838 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.3 ClC1=CN=C(Cl)N=C1 CS19746 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.3 ClC1=CN=C(I)C=C1 CS18901 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.3 ClC1=CN=C(I)N=C1 CS18983 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.3 ClC1=NC=C(Br)C=C1 CS14919 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.3 ClC1=NC=C(Br)C=N1 CS15254 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.3 ClC1=NC=C(I)C=C1 CS17315 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.3 ClC1=NC=C(I)C=N1 CS14950 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.3 ClC1=NC=C(I)N=C1 CS12211 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [0,2,0,0,0,0|0,0,0]=2 335 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [0,2,0,0,0,0|0,0,0]=2 336 B8R1.3 FC1=CC=C(Cl)N=N1 CS17436 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [0,2,0,0,0,0|0,0,0]=2 338 B8R1.3 FC1=CC=C(F)N=N1 CS12455 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [0,2,0,0,0,0|0,0,0]=2 340 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [0,2,0,0,0,0|0,0,0]=2 341 B8R1.3 FC1=CN=C(Br)C=C1 CS21836 [0,2,0,0,0,0|1,0,0]=3 342 B8R1.3 FC1=CN=C(Br)C=N1 MC442841 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.3 FC1=CN=C(Br)N=C1 MC444173 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.3 FC1=CN=C(Cl)C=C1 CS21851 [0,2,0,0,0,0|1,0,0]=3 345 B8R1.3 FC1=CN=C(Cl)N=C1 CS15365 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.3 FC1=CN=C(F)N=C1 MC107344 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.3 FC1=CN=C(I)C=C1 CS10383 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.3 FC1=NC=C(Br)C=C1 CS22028 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.3 FC1=NC=C(Br)C=N1 MC10154 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.3 FC1=NC=C(Cl)C=C1 CS17313 [0,2,0,0,0,0|1,0,0]=3 351 B8R1.3 FC1=NC=C(I)C=C1 CS17371 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.3 FC1=NC=C(I)C=N1 CS21549 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [0,2,0,0,0,0|0,0,0]=2 354 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [0,2,0,0,0,0|0,0,0]=2 355 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [0,2,0,0,0,0|0,0,0]=2 356 B8R1.3 NC1=CC=C(Br)N=C1 CS21910 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.3 NC1=CC=C(Br)N=N1 CS10641 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [0,2,0,0,0,0|0,0,0]=2 359 B8R1.3 NC1=CC=C(Cl)N=C1 CS21849 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.3 NC1=CC=C(Cl)N=N1 CS15607 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [0,2,0,0,0,0|0,0,0]=2 362 B8R1.3 NC1=CC=C(F)N=C1 CS22740 [0,2,0,0,0,0|1,0,0]=3 363 B8R1.3 NC1=CC=C(F)N=N1 CS17801 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [0,2,0,0,0,0|0,0,0]=2 365 B8R1.3 NC1=CC=C(N)N=N1 CS12076 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [0,2,0,0,0,0|0,0,0]=2 367 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [0,2,0,0,0,0|0,0,0]=2 370 B8R1.3 NC1=CN=C(Br)N=C1 CS21412 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.3 NC1=CN=C(Cl)N=C1 CS15662 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.3 NC1=CN=C(F)N=C1 MC431546 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.3 NC1=CN=C(N)N=C1 CS19880 [0,2,0,0,0,0|2,0,0]=4 375 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.3 NC1=CN=C(O)N=C1 MC444379 [0,2,0,0,0,0|2,0,0]=4 378 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.3 NC1=NC=C(Br)C=C1 CS21813 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.3 NC1=NC=C(Br)C=N1 CS21814 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.3 NC1=NC=C(Br)N=C1 CS15187 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.3 NC1=NC=C(Cl)C=C1 CS21816 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.3 NC1=NC=C(Cl)C=N1 CS15629 [0,2,0,0,0,0|2,0,0]=4 384 B8R1.3 NC1=NC=C(Cl)N=C1 CS18243 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.3 NC1=NC=C(F)C=C1 CS21818 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.3 NC1=NC=C(F)C=N1 CS21760 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.3 NC1=NC=C(I)C=C1 CS17736 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.3 NC1=NC=C(O)C=N1 CS17222 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [0,2,0,0,0,0|0,0,0]=2 390 B8R1.3 O=C1C=CC(Br)=NN1 CS18174 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.3 O=C1C=CC(Cl)=NN1 CS19694 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [0,2,0,0,0,0|1,0,0]=3 393 B8R1.3 O=C1N=CC(Br)=CN1 CS10266 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.3 O=C1N=CC(I)=CN1 CS10410 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [0,2,0,0,0,0|0,0,0]=2 396 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [0,2,0,0,0,0|1,0,0]=3 397 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [0,2,0,0,0,0|0,0,0]=2 398 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [0,2,0,0,0,0|0,0,0]=2 400 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [0,2,0,0,0,0|1,0,0]=3 401 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [0,2,0,0,0,0|0,0,0]=2 402 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [0,2,0,0,0,0|0,0,0]=2 404 B8R1.3 OC1=CC=C(O)N=N1 CS13566 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.3 OC1=CN=C(Br)N=C1 MC444174 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.3 OC1=CN=C(Cl)N=C1 CS14550 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [0,2,0,0,0,0|1,0,0]=3 408 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [0,2,0,0,0,0|1,0,0]=3 409 B8R1.3 OC1=NC=C(Br)C=N1 CS15434 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.3 OC1=NC=C(Br)N=C1 CS19024 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.3 OC1=NC=C(Cl)C=N1 MC436855 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.3 OC1=NC=C(Cl)N=C1 CS19402 [0,2,0,0,0,0|2,0,0]=4 413 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [0,2,0,0,0,0|0,0,0]=2 416 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 CS22699 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.4 BrC1=CC(Br)=NC=C1 CS15110 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.4 BrC1=CC(Br)=NC=N1 CS22500 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.4 BrC1=CC(I)=CC=C1 MC433479 [0,2,0,0,0,0|0,0,0]=2 420 B8R1.4 BrC1=CC(I)=CN=C1 CS13981 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.4 BrC1=CC=CC(Br)=C1 CS19814 [0,2,0,0,0,0|0,0,0]=2 422 B8R1.4 BrC1=CC=CC(Br)=N1 CS21793 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.4 BrC1=CN=CC(Br)=C1 CS21896 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.4 BrC1=CN=CC(Br)=N1 CS12199 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.4 BrC1=CN=NC(Br)=C1 MC33339 [0,2,0,0,0,0|2,0,0]=4 426 B8R1.4 BrC1=NC(Br)=NC=C1 CS10554 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.4 BrC1=NC=CC(I)=C1 CS17279 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,2,0,0,0,0|0,0,0]=2 433 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,2,0,0,0,0|2,0,0]=4 435 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,2,0,0,0,0|2,0,0]=4 440 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,2,0,0,0,0|0,0,0]=2 444 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,2,0,0,0,0|0,0,0]=2 447 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,2,0,0,0,0|1,0,0]=3 448 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,2,0,0,0,0|0,0,0]=2 449 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,2,0,0,0,0|0,0,0]=2 451 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,2,0,0,0,0|0,0,0]=2 453 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,2,0,0,0,0|0,0,0]=2 454 B8R1.4 CC1=CC=C[N+]([O-])=C1 MC41624 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,2,0,0,0,0|2,0,0]=4 465 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,2,0,0,0,0|1,0,0]=3 478 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.4 ClC1=CC(Br)=NC=C1 CS13973 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.4 ClC1=CC(Br)=NC=N1 MC442087 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.4 ClC1=CC(Cl)=NC=C1 CS17291 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.4 ClC1=CC(Cl)=NC=N1 CS21954 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.4 ClC1=CC(I)=CC=C1 CS20663 [0,2,0,0,0,0|0,0,0]=2 486 B8R1.4 ClC1=CC(I)=NC=C1 CS15413 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.4 ClC1=CC=CC(Br)=C1 CS22170 [0,2,0,0,0,0|0,0,0]=2 488 B8R1.4 ClC1=CC=CC(Br)=N1 CS14668 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.4 ClC1=CC=CC(Cl)=N1 CS18899 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.4 ClC1=CN=CC(Br)=C1 CS15808 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.4 ClC1=CN=CC(Br)=N1 MC33389 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.4 ClC1=CN=CC(Cl)=C1 CS14008 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.4 ClC1=CN=CC(Cl)=N1 CS22559 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.4 ClC1=CN=NC(Cl)=C1 CS21984 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.4 ClC1=NC(Cl)=NC=C1 CS22557 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.4 ClC1=NC(I)=CC=C1 MC41607 [0,2,0,0,0,0|1,0,0]=3 497 B8R1.4 ClC1=NC=CC(Br)=C1 CS21986 [0,2,0,0,0,0|1,0,0]=3 498 B8R1.4 ClC1=NC=CC(Br)=N1 MC21047 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.4 ClC1=NC=CC(I)=C1 CS22695 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.4 ClC1=NC=NC(I)=C1 MC442088 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.4 FC1=CC(Br)=CN=C1 CS22034 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.4 FC1=CC(Br)=NC=C1 CS14190 [0,2,0,0,0,0|1,0,0]=3 503 B8R1.4 FC1=CC(Cl)=NC=C1 CS17300 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.4 FC1=CC(F)=NC=C1 CS19909 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.4 FC1=CC(F)=NC=N1 MC41646 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.4 FC1=CC(I)=CC=C1 CS18882 [0,2,0,0,0,0|0,0,0]=2 507 B8R1.4 FC1=CC(I)=CN=C1 CS18467 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.4 FC1=CC=CC(Br)=C1 MC41467 [0,2,0,0,0,0|0,0,0]=2 509 B8R1.4 FC1=CC=CC(Br)=N1 CS13708 [0,2,0,0,0,0|1,0,0]=3 510 B8R1.4 FC1=CC=CC(Cl)=C1 MC41473 [0,2,0,0,0,0|0,0,0]=2 511 B8R1.4 FC1=CC=CC(Cl)=N1 CS18859 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.4 FC1=CC=CC(F)=N1 CS18752 [0,2,0,0,0,0|1,0,0]=3 513 B8R1.4 FC1=CC=CC(S)=C1 MC20298 [0,2,0,0,0,0|0,0,0]=2 514 B8R1.4 FC1=CN=CC(Cl)=C1 CS19936 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.4 FC1=CN=CC(F)=C1 CS13374 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.4 FC1=NC(Br)=CC=C1 MC429392 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.4 FC1=NC(Cl)=NC=C1 MC429933 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.4 FC1=NC(F)=NC=C1 MC429251 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.4 FC1=NC=CC(Br)=C1 CS17277 [0,2,0,0,0,0|1,0,0]=3 520 B8R1.4 FC1=NC=CC(Cl)=C1 CS14178 [0,2,0,0,0,0|1,0,0]=3 521 B8R1.4 FC1=NC=CC(I)=C1 CS13375 [0,2,0,0,0,0|1,0,0]=3 522 B8R1.4 IC1=CC=CC(I)=C1 MC433521 [0,2,0,0,0,0|0,0,0]=2 523 B8R1.4 IC1=CC=CC(I)=N1 CS18354 [0,2,0,0,0,0|1,0,0]=3 524 B8R1.4 NC1=CC(=O)NN=C1 MC104083 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.4 NC1=CC(Br)=CC=C1 CS19169 [0,2,0,0,0,0|0,0,0]=2 526 B8R1.4 NC1=CC(Br)=CN=C1 CS22730 [0,2,0,0,0,0|1,0,0]=3 527 B8R1.4 NC1=CC(Br)=CN=N1 MC103242 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.4 NC1=CC(Br)=NC=C1 CS21962 [0,2,0,0,0,0|1,0,0]=3 529 B8R1.4 NC1=CC(Br)=NC=C1 MC425916 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.4 NC1=CC(Cl)=CC=C1 CS22234 [0,2,0,0,0,0|0,0,0]=2 531 B8R1.4 NC1=CC(Cl)=CN=C1 MC31090 [0,2,0,0,0,0|1,0,0]=3 532 B8R1.4 NC1=CC(Cl)=CN=C1 MC442692 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.4 NC1=CC(Cl)=CN=N1 MC103570 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.4 NC1=CC(Cl)=NC=C1 CS21964 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.4 NC1=CC(F)=CC=C1 CS19913 [0,2,0,0,0,0|0,0,0]=2 536 B8R1.4 NC1=CC(F)=CN=C1 CS13934 [0,2,0,0,0,0|1,0,0]=3 537 B8R1.4 NC1=CC(F)=NC=C1 CS13865 [0,2,0,0,0,0|1,0,0]=3 538 B8R1.4 NC1=CC(I)=CC=C1 CS19215 [0,2,0,0,0,0|0,0,0]=2 539 B8R1.4 NC1=CC(I)=CN=C1 MC431279 [0,2,0,0,0,0|1,0,0]=3 540 B8R1.4 NC1=CC(N)=NC=C1 CS11909 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.4 NC1=CC(N)=NC=N1 MC425881 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [0,2,0,0,0,0|1,0,0]=3 545 B8R1.4 NC1=CC=CC(N)=C1 MC40944 [0,2,0,0,0,0|0,0,0]=2 546 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [0,2,0,0,0,0|1,0,0]=3 547 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [0,2,0,0,0,0|0,0,0]=2 548 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,2,0,0,0,0|2,0,0]=4 549 B8R1.4 NC1=CN=CC(F)=C1 MC430057 [0,2,0,0,0,0|1,0,0]=3 550 B8R1.4 NC1=CN=CC(N)=C1 CS21958 [0,2,0,0,0,0|1,0,0]=3 551 B8R1.4 NC1=CN=CC(N)=N1 CS15121 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.4 NC1=CN=CC(N)=N1 MC100335 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.4 NC1=CN=CC(O)=C1 CS12372 [0,2,0,0,0,0|1,0,0]=3 554 B8R1.4 NC1=CN=CC(O)=C1 CS22080 [0,2,0,0,0,0|1,0,0]=3 555 B8R1.4 NC1=CN=NC(Br)=C1 MC116221 [0,2,0,0,0,0|2,0,0]=4 556 B8R1.4 NC1=CN=NC(Cl)=C1 CS13017 [0,2,0,0,0,0|2,0,0]=4 557 B8R1.4 NC1=NC(=O)NC=C1 CS22211 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [0,2,0,0,0,0|1,0,0]=3 559 B8R1.4 NC1=NC(Br)=NC=C1 MC442843 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.4 NC1=NC(Cl)=CN=C1 MC20457 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.4 NC1=NC(Cl)=NC=C1 CS22581 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [0,2,0,0,0,0|1,0,0]=3 564 B8R1.4 NC1=NC(N)=NC=C1 CS22603 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.4 NC1=NC=CC(Br)=C1 CS16114 [0,2,0,0,0,0|1,0,0]=3 567 B8R1.4 NC1=NC=CC(Br)=N1 MC442842 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.4 NC1=NC=CC(Cl)=C1 CS17669 [0,2,0,0,0,0|1,0,0]=3 569 B8R1.4 NC1=NC=CC(Cl)=N1 CS15619 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.4 NC1=NC=CC(F)=C1 CS21251 [0,2,0,0,0,0|1,0,0]=3 571 B8R1.4 NC1=NC=CC(F)=N1 MC104377 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.4 NC1=NC=CC(I)=C1 MC425094 [0,2,0,0,0,0|1,0,0]=3 573 B8R1.4 NC1=NC=CC(I)=N1 CS12109 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [0,2,0,0,0,0|1,0,0]=3 575 B8R1.4 NC1=NC=NC(Br)=C1 CS12354 [0,2,0,0,0,0|2,0,0]=4 576 B8R1.4 NC1=NC=NC(Cl)=C1 CS15652 [0,2,0,0,0,0|2,0,0]=4 577 B8R1.4 NC1=NC=NC(I)=C1 CS12484 [0,2,0,0,0,0|2,0,0]=4 578 B8R1.4 NC1=NC=NC(O)=C1 CS22588 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.4 O=C1C=C(Cl)C=NN1 CS12688 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.4 O=C1C=C(I)C=NN1 CS12955 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.4 O=C1C=CNC(=O)N1 CS19249 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.4 OC1=CC(Br)=CC=C1 CS15169 [0,2,0,0,0,0|0,0,0]=2 586 B8R1.4 OC1=CC(Br)=CN=C1 CS17456 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.4 OC1=CC(Cl)=CC=C1 CS19764 [0,2,0,0,0,0|0,0,0]=2 589 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.4 OC1=CC(F)=CC=C1 CS19021 [0,2,0,0,0,0|0,0,0]=2 591 B8R1.4 OC1=CC(F)=CN=C1 CS13932 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.4 OC1=CC(I)=CC=C1 CS19969 [0,2,0,0,0,0|0,0,0]=2 593 B8R1.4 OC1=CC(O)=NC=N1 CS15744 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.4 OC1=CC=CC(S)=C1 MC20381 [0,2,0,0,0,0|0,0,0]=2 595 B8R1.4 OC1=CN=CC(Cl)=C1 MC41606 [0,2,0,0,0,0|1,0,0]=3 596 B8R1.4 OC1=CN=CC(O)=C1 CS21992 [0,2,0,0,0,0|1,0,0]=3 597 B8R1.4 OC1=CN=NC(Cl)=C1 MC107685 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.4 OC1=NC(Br)=CC=C1 CS14076 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.4 OC1=NC(Cl)=CN=C1 CS12934 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [0,2,0,0,0,0|1,0,0]=3 602 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [0,2,0,0,0,0|1,0,0]=3 604 B8R1.4 OC1=NC=NC(Br)=C1 CS14406 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.4 OC1=NC=NC(Cl)=C1 CS22568 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.4 [O-][N+]1=CC(Cl)=CC=C1 MC442468 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.4 [O-][N+]1=CC(F)=CC=C1 MC433049 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.5 BrC1=C(Br)C=CC=C1 CS19765 [0,2,0,0,0,0|0,0,0]=2 609 B8R1.5 BrC1=C(Br)C=NC=C1 CS13628 [0,2,0,0,0,0|1,0,0]=3 610 B8R1.5 BrC1=C(I)C=CC=C1 CS19157 [0,2,0,0,0,0|0,0,0]=2 611 B8R1.5 BrC1=CC=CN=C1Br CS22670 [0,2,0,0,0,0|1,0,0]=3 612 B8R1.5 BrC1=NC=CC=C1I MC110926 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.5 BrC1=NC=CN=C1Br CS12573 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [0,2,0,0,0,0|0,0,0]=2 615 B8R1.5 CC1=C(Br)C=CN=C1 CS13416 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.5 CC1=C(Br)C=NC=C1 CS21916 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [0,2,0,0,0,0|0,0,0]=2 618 B8R1.5 CC1=C(Cl)C=CN=C1 CS18038 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.5 CC1=C(Cl)C=NC=C1 CS15751 [0,2,0,0,0,0|1,0,0]=3 620 B8R1.5 CC1=C(Cl)N=NC=C1 MC444260 [0,2,0,0,0,0|2,0,0]=4 621 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [0,2,0,0,0,0|0,0,0]=2 622 B8R1.5 CC1=C(F)C=CN=C1 MC433051 [0,2,0,0,0,0|1,0,0]=3 623 B8R1.5 CC1=C(F)C=NC=C1 CS19332 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [0,2,0,0,0,0|0,0,0]=2 625 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [0,2,0,0,0,0|1,0,0]=3 626 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [0,2,0,0,0,0|1,0,0]=3 628 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [0,2,0,0,0,0|1,0,0]=3 629 B8R1.5 CC1=CC=CC=C1C MC41549 [0,2,0,0,0,0|0,0,0]=2 630 B8R1.5 CC1=CC=CC=C1N CS20592 [0,2,0,0,0,0|0,0,0]=2 631 B8R1.5 CC1=CC=CC=C1O CS11813 [0,2,0,0,0,0|0,0,0]=2 632 B8R1.5 CC1=CC=CN=C1Br CS23002 [0,2,0,0,0,0|1,0,0]=3 633 B8R1.5 CC1=CC=CN=C1C CS21050 [0,2,0,0,0,0|1,0,0]=3 634 B8R1.5 CC1=CC=CN=C1Cl CS13857 [0,2,0,0,0,0|1,0,0]=3 635 B8R1.5 CC1=CC=CN=C1F CS19328 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.5 CC1=CC=CN=C1N CS13775 [0,2,0,0,0,0|1,0,0]=3 637 B8R1.5 CC1=CC=CN=C1O CS19498 [0,2,0,0,0,0|1,0,0]=3 638 B8R1.5 CC1=CN=CN=C1Br CS12572 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.5 CC1=CN=CN=C1Cl CS19938 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.5 CC1=CN=CN=C1N CS12501 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.5 CC1=CN=CN=C1O CS10459 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.5 CC1=NC=CC=C1Br MC20012 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.5 CC1=NC=CC=C1Cl MC425470 [0,2,0,0,0,0|1,0,0]=3 644 B8R1.5 CC1=NC=CC=C1F CS19850 [0,2,0,0,0,0|1,0,0]=3 645 B8R1.5 CC1=NC=CC=C1N CS19518 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.5 CC1=NC=CC=C1O MC20374 [0,2,0,0,0,0|1,0,0]=3 647 B8R1.5 CC1=NC=CN=C1Br CS12416 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.5 CC1=NC=CN=C1C CS10108 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.5 CC1=NC=CN=C1Cl CS17680 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.5 CC1=NC=CN=C1N CS21232 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.5 CC1=NC=CN=C1O CS21577 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.5 CC1=NC=NC=C1Br CS11920 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.5 CC1=NC=NC=C1I CS12766 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.5 CC1=NC=NC=C1N CS19908 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.5 C[N+]1=C(Cl)C=CC=C1 CS19467 [0,2,0,0,0,0|1,0,0]=3 656 B8R1.5 ClC1=C(Br)C=CC=C1 CS21391 [0,2,0,0,0,0|0,0,0]=2 657 B8R1.5 ClC1=C(Br)C=CN=C1 CS15809 [0,2,0,0,0,0|1,0,0]=3 658 B8R1.5 ClC1=C(Cl)C=CC=C1 MC41478 [0,2,0,0,0,0|0,0,0]=2 659 B8R1.5 ClC1=C(Cl)C=NC=C1 CS14992 [0,2,0,0,0,0|1,0,0]=3 660 B8R1.5 ClC1=C(Cl)N=NC=C1 MC102217 [0,2,0,0,0,0|2,0,0]=4 661 B8R1.5 ClC1=C(I)C=CN=C1 CS17639 [0,2,0,0,0,0|1,0,0]=3 662 B8R1.5 ClC1=C(I)C=CN=C1 CS19993 [0,2,0,0,0,0|1,0,0]=3 663 B8R1.5 ClC1=C(I)C=NC=C1 CS17640 [0,2,0,0,0,0|1,0,0]=3 664 B8R1.5 ClC1=CC=CN=C1Br CS17272 [0,2,0,0,0,0|1,0,0]=3 665 B8R1.5 ClC1=CC=CN=C1Cl CS13373 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.5 ClC1=NC=CC=C1Br CS22671 [0,2,0,0,0,0|1,0,0]=3 667 B8R1.5 ClC1=NC=CC=C1I CS22694 [0,2,0,0,0,0|1,0,0]=3 668 B8R1.5 ClC1=NC=NC=C1Br CS22769 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.5 ClC1=NC=NC=C1I CS19722 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.5 FC1=C(Br)C=CC=C1 CS19658 [0,2,0,0,0,0|0,0,0]=2 671 B8R1.5 FC1=C(Br)C=CN=C1 MC429590 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.5 FC1=C(Br)C=NC=C1 CS13534 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.5 FC1=C(Cl)C=CC=C1 MC429398 [0,2,0,0,0,0|0,0,0]=2 674 B8R1.5 FC1=C(Cl)C=CN=C1 MC429592 [0,2,0,0,0,0|1,0,0]=3 675 B8R1.5 FC1=C(F)C=CC=C1 CS20490 [0,2,0,0,0,0|0,0,0]=2 676 B8R1.5 FC1=C(F)C=NC=C1 MC431362 [0,2,0,0,0,0|1,0,0]=3 677 B8R1.5 FC1=C(I)C=CC=C1 MC429560 [0,2,0,0,0,0|0,0,0]=2 678 B8R1.5 FC1=C(I)C=CN=C1 CS18172 [0,2,0,0,0,0|1,0,0]=3 679 B8R1.5 FC1=C(S)C=CC=C1 MC429404 [0,2,0,0,0,0|0,0,0]=2 680 B8R1.5 FC1=CC=CN=C1Br CS14296 [0,2,0,0,0,0|1,0,0]=3 681 B8R1.5 FC1=CC=CN=C1Cl CS17308 [0,2,0,0,0,0|1,0,0]=3 682 B8R1.5 FC1=CC=CN=C1F CS18753 [0,2,0,0,0,0|1,0,0]=3 683 B8R1.5 FC1=CN=CN=C1Cl CS11918 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.5 FC1=NC=CC=C1Br CS14198 [0,2,0,0,0,0|1,0,0]=3 685 B8R1.5 FC1=NC=CC=C1Cl CS18743 [0,2,0,0,0,0|1,0,0]=3 686 B8R1.5 FC1=NC=CC=C1I CS21866 [0,2,0,0,0,0|1,0,0]=3 687 B8R1.5 IC1=C(I)C=CC=C1 MC41488 [0,2,0,0,0,0|0,0,0]=2 688 B8R1.5 NC1=C(Br)C=CC=C1 CS19197 [0,2,0,0,0,0|0,0,0]=2 689 B8R1.5 NC1=C(Br)C=CN=C1 CS13987 [0,2,0,0,0,0|1,0,0]=3 690 B8R1.5 NC1=C(Br)C=NC=C1 CS21968 [0,2,0,0,0,0|1,0,0]=3 691 B8R1.5 NC1=C(Cl)C=CC=C1 CS19766 [0,2,0,0,0,0|0,0,0]=2 692 B8R1.5 NC1=C(Cl)C=CN=C1 CS22737 [0,2,0,0,0,0|1,0,0]=3 693 B8R1.5 NC1=C(Cl)C=NC=C1 CS13897 [0,2,0,0,0,0|1,0,0]=3 694 B8R1.5 NC1=C(F)C=CC=C1 MC40915 [0,2,0,0,0,0|0,0,0]=2 695 B8R1.5 NC1=C(F)C=CN=C1 MC106328 [0,2,0,0,0,0|1,0,0]=3 696 B8R1.5 NC1=C(F)C=NC=C1 CS13971 [0,2,0,0,0,0|1,0,0]=3 697 B8R1.5 NC1=C(I)C=CC=C1 CS23020 [0,2,0,0,0,0|0,0,0]=2 698 B8R1.5 NC1=C(I)C=CN=C1 CS17808 [0,2,0,0,0,0|1,0,0]=3 699 B8R1.5 NC1=C(I)C=NC=C1 CS18532 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.5 NC1=C(N)C=NC=C1 CS22778 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [0,2,0,0,0,0|0,0,0]=2 702 B8R1.5 NC1=C(O)C=CN=C1 MC427456 [0,2,0,0,0,0|1,0,0]=3 703 B8R1.5 NC1=C(O)C=NC=C1 CS14741 [0,2,0,0,0,0|1,0,0]=3 704 B8R1.5 NC1=C(S)C=CC=C1 MC41400 [0,2,0,0,0,0|0,0,0]=2 705 B8R1.5 NC1=C(S)C=CN=C1 MC427552 [0,2,0,0,0,0|1,0,0]=3 706 B8R1.5 NC1=C(S)C=NC=C1 MC427410 [0,2,0,0,0,0|1,0,0]=3 707 B8R1.5 NC1=CC=CC=C1N CS11822 [0,2,0,0,0,0|0,0,0]=2 708 B8R1.5 NC1=CC=CN=C1Br CS22729 [0,2,0,0,0,0|1,0,0]=3 709 B8R1.5 NC1=CC=CN=C1Cl CS17686 [0,2,0,0,0,0|1,0,0]=3 710 B8R1.5 NC1=CC=CN=C1F CS22742 [0,2,0,0,0,0|1,0,0]=3 711 B8R1.5 NC1=CC=CN=C1I CS18159 [0,2,0,0,0,0|1,0,0]=3 712 B8R1.5 NC1=CC=CN=C1N CS21785 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.5 NC1=CC=CNC1=O CS15503 [0,2,0,0,0,0|1,0,0]=3 714 B8R1.5 NC1=CC=CNC1=S CS20821 [0,2,0,0,0,0|1,0,0]=3 715 B8R1.5 NC1=CC=NNC1=O CS15772 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.5 NC1=CN=CN=C1Br CS12371 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.5 NC1=CN=CN=C1Cl CS10217 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.5 NC1=CN=CN=C1N MC10418 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.5 NC1=CN=NC=C1Br MC116352 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.5 NC1=NC=CC=C1Br CS17634 [0,2,0,0,0,0|1,0,0]=3 721 B8R1.5 NC1=NC=CC=C1Cl CS17664 [0,2,0,0,0,0|1,0,0]=3 722 B8R1.5 NC1=NC=CC=C1F CS13951 [0,2,0,0,0,0|1,0,0]=3 723 B8R1.5 NC1=NC=CC=C1I CS13464 [0,2,0,0,0,0|1,0,0]=3 724 B8R1.5 NC1=NC=CC=C1O CS22765 [0,2,0,0,0,0|1,0,0]=3 725 B8R1.5 NC1=NC=CC=C1S MC110834 [0,2,0,0,0,0|1,0,0]=3 726 B8R1.5 NC1=NC=CN=C1Br CS21229 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.5 NC1=NC=CN=C1Cl CS18423 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.5 NC1=NC=CN=C1I CS12456 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.5 NC1=NC=CN=C1O CS21231 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.5 NC1=NC=NC=C1Br CS18005 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.5 NC1=NC=NC=C1Cl CS12255 [0,2,0,0,0,0|2,0,0]=4 732 B8R1.5 NC1=NC=NC=C1F CS12828 [0,2,0,0,0,0|2,0,0]=4 733 B8R1.5 NC1=NC=NC=C1O CS16658 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.5 O=C1C=COC=C1O CS16007 [0,2,0,0,0,0|1,0,0]=3 735 B8R1.5 O=C1N=CNC=C1Br CS10567 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.5 O=C1N=CNC=C1Br CS12515 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.5 O=C1NC=CC=C1Cl CS13621 [0,2,0,0,0,0|1,0,0]=3 738 B8R1.5 O=C1NC=CC=C1F CS13754 [0,2,0,0,0,0|1,0,0]=3 739 B8R1.5 O=C1NC=CC=C1I CS16075 [0,2,0,0,0,0|1,0,0]=3 740 B8R1.5 O=C1NC=CC=C1O CS22752 [0,2,0,0,0,0|1,0,0]=3 741 B8R1.5 O=C1NC=NC=C1O CS15721 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.5 O=C1NN=CC=C1Cl CS15942 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.5 O=C1OC=CC=C1O CS22311 [0,2,0,0,0,0|1,0,0]=3 744 B8R1.5 OC1=C(Br)C=CC=C1 CS19429 [0,2,0,0,0,0|0,0,0]=2 745 B8R1.5 OC1=C(Br)C=CN=C1 CS13781 [0,2,0,0,0,0|1,0,0]=3 746 B8R1.5 OC1=C(Br)C=NC=C1 CS14222 [0,2,0,0,0,0|1,0,0]=3 747 B8R1.5 OC1=C(Cl)C=CC=C1 MC41174 [0,2,0,0,0,0|0,0,0]=2 748 B8R1.5 OC1=C(Cl)C=CN=C1 CS16383 [0,2,0,0,0,0|1,0,0]=3 749 B8R1.5 OC1=C(Cl)C=NC=C1 CS16225 [0,2,0,0,0,0|1,0,0]=3 750 B8R1.5 OC1=C(F)C=CC=C1 MC20096 [0,2,0,0,0,0|0,0,0]=2 751 B8R1.5 OC1=C(F)C=NC=C1 CS22284 [0,2,0,0,0,0|1,0,0]=3 752 B8R1.5 OC1=C(I)C=CC=C1 MC20193 [0,2,0,0,0,0|0,0,0]=2 753 B8R1.5 OC1=C(I)C=CN=C1 CS12130 [0,2,0,0,0,0|1,0,0]=3 754 B8R1.5 OC1=C(I)C=NC=C1 MC425611 [0,2,0,0,0,0|1,0,0]=3 755 B8R1.5 OC1=CC=CC=C1O CS11109 [0,2,0,0,0,0|0,0,0]=2 756 B8R1.5 OC1=CC=CN=C1Br CS17449 [0,2,0,0,0,0|1,0,0]=3 757 B8R1.5 OC1=CC=CN=C1Cl CS17508 [0,2,0,0,0,0|1,0,0]=3 758 B8R1.5 OC1=CC=CN=C1F CS13836 [0,2,0,0,0,0|1,0,0]=3 759 B8R1.5 OC1=CC=CN=C1I CS14294 [0,2,0,0,0,0|1,0,0]=3 760 B8R1.5 OC1=NC=CC=C1Br CS18703 [0,2,0,0,0,0|1,0,0]=3 761 B8R1.5 OC1=NC=NC=C1F CS22574 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.5 OC1=NC=NC=C1I CS12263 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.5 SC1=C(I)C=CC=C1 MC41410 [0,2,0,0,0,0|0,0,0]=2 764 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 MC427271 [0,2,0,0,0,0|1,0,0]=3 765 B8R1.5 [O-][N+]1=C(O)C=CC=C1 CS21603 [0,2,0,0,0,0|1,0,0]=3 766 B8R2.34 C1=CC2C=CC1C2 MC445000 [0,1,0,1,0,0|0,0,2]=4 767 B8R1.49 C1=CCCC=CCC1 CS14877 [0,0,0,0,0,2|0,0,2]=4 768 B8R1.49 C1=CCCC=CCC1 MC115088 [0,0,0,0,0,2|0,0,2]=4 769 B8R1.49 C1=CCCC=CCC1 MC444943 [0,0,0,0,0,2|0,0,2]=4 770 B8R1.49 C1=CCCC=CCC1 MC444983 [0,0,0,0,0,2|0,0,2]=4 771 B8R1.49 C1=CCCC=CCC1 MC444992 [0,0,0,0,0,2|0,0,2]=4 772 B8R1.49 C1=CCCC=CCC1 MC444993 [0,0,0,0,0,2|0,0,2]=4 773 B8R1.49 C1=CCCC=CCC1 MC444996 [0,0,0,0,0,2|0,0,2]=4 774 B8R1.49 C1=CCCC=CCC1 MC444997 [0,0,0,0,0,2|0,0,2]=4 775 B8R1.49 C1=CCCC=CCC1 MC444998 [0,0,0,0,0,2|0,0,2]=4 776 B8R1.49 C1=CCCC=CCC1 MC445003 [0,0,0,0,0,2|0,0,2]=4 777 B8R1.49 C1=CCCC=CCC1 MC445012 [0,0,0,0,0,2|0,0,2]=4