0 B7R1.3 BrC1=CC=CN=C1 SBB003998 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CC=NC=C1 SBB003600 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CN=CN=C1 SBB054477 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 BrC1=NC=CC=C1 SBB003999 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 BrC1=NC=CC=N1 SBB054484 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 BrC1=NC=CN=C1 SBB087333 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 BrC1=NC=NC=C1 SBB054515 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CC1=CN=CC=N1 SBB060830 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 ClC1=CC=CC=C1 SBB040899 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 ClC1=CC=CN=N1 SBB054542 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 ClC1=NC=CC=C1 SBB079180 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 ClC1=NC=CC=N1 SBB054479 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 ClC1=NC=NC=C1 SBB054514 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 FC1=CC=CN=C1 SBB054315 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 FC1=CC=NC=C1 SBB054247 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 FC1=NC=CC=C1 SBB062911 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 IC1=CC=CN=C1 SBB054246 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 IC1=CC=NC=C1 SBB009104 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 IC1=NC=CC=C1 SBB054364 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 IC1=NC=CN=C1 SBB093563 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 NC1=CC=CC=N1 SBB004394 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 NC1=CC=CN=N1 SBB051973 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 NC1=CC=NC=C1 SBB004393 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 NC1=CC=NC=N1 SBB028163 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 NC1=CN=CC=C1 SBB004395 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 NC1=CN=CC=N1 SBB004388 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 NC1=CN=CN=C1 SBB051965 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 NC1=NC=CC=N1 SBB004387 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 NC1=NC=NC=N1 SBB005530 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.3 NC1=NN=CC=N1 SBB004379 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.3 O=C1C=CC=NN1 SBB005360 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,0,0,0|0,0,4]=4 32 B7R1.3 O=C1C=CNC=C1 SBB005800 [0,0,0,0,0,0|1,0,1]=2 33 B7R1.3 O=C1N=CC=CN1 SBB004216 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.3 OC1=CC=CC=N1 SBB004392 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.3 OC1=CC=NC=C1 SBB000030 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.3 OC1=CN=CC=C1 SBB004391 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.3 OC1=NC=CC=N1 SBB004380 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 OC1=NC=NC=C1 SBB055919 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.3 SC1=CC=CC=N1 SBB058593 [0,0,0,0,0,0|1,1,0]=2 40 B7R1.3 SC1=NC=CC=N1 SBB007595 [0,0,0,0,0,0|2,1,0]=3 41 B7R1.3 [NH+]1=CC=C(Cl)C=C1 SBB058933 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.1 C1=CC=NC=C1 SBB055734 [1,0,0,0,0,0|1,0,0]=2 43 B6R1.1 C1=CN=NC=C1 SBB059541 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.2 C#CC1=CC=CC=N1 SBB006619 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 C#CC1=CC=CN=C1 SBB065464 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 C#CC1=CC=NC=C1 SBB055516 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 C#CC1=CC=NC=C1 SBB065466 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.2 CCC1=CC=CC=C1 SBB040891 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.2 CCC1=CC=CC=N1 SBB060373 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.2 CCC1=CC=NC=C1 SBB061128 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.2 CCC1=CN=CC=C1 SBB060374 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 CNC1=CC=CC=C1 SBB008162 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.2 CNC1=CC=CC=C1 SBB059778 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.2 CNC1=NC=CN=C1 SBB018751 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 N#CC1=CC=CN=C1 SBB007554 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 N#CC1=CC=NC=C1 SBB008923 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 N#CC1=NC=CC=C1 SBB008920 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 N#CC1=NC=CC=N1 SBB048115 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.2 NCC1=CC=CC=C1 SBB040473 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.2 NCC1=CC=CN=C1 SBB004351 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 NCC1=CC=NC=C1 SBB004350 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 NCC1=NC=CC=C1 SBB004352 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 NCC1=NC=CN=C1 SBB014584 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.2 NCC1=NC=NC=C1 SBB086444 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.2 NNC1=CC=CC=C1 SBB040886 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.2 NNC1=CC=CN=N1 SBB055934 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 NNC1=CC=NC=C1 SBB018987 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.2 NNC1=NC=CC=N1 SBB047725 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.2 OCC1=CC=CC=C1 SBB058558 [0,1,0,0,0,0|0,0,0]=1 84 B8R1.2 OCC1=CC=CN=C1 SBB004344 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.2 OCC1=CC=CN=N1 SBB054829 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 OCC1=CC=NC=C1 SBB004347 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.2 OCC1=CN=CN=C1 SBB065691 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 OCC1=NC=CC=C1 SBB004348 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.2 OCC1=NC=CN=C1 SBB054824 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 OCC1=NC=NC=C1 SBB054828 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.2 ONC1=CC=CC=C1 SBB008413 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 BrC1=CC=C(Br)N=N1 SBB054546 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.3 BrC1=CC=C(I)C=N1 SBB013974 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 BrC1=CN=C(Br)C=C1 SBB054335 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 BrC1=CN=C(Br)C=N1 SBB054474 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.3 BrC1=CN=C(I)C=C1 SBB054355 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.3 BrC1=CN=C(I)C=N1 SBB054462 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.3 BrC1=CN=C(I)N=C1 SBB054488 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 CC1=CC=C(N)N=N1 SBB051974 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,1,0,0,0,0|0,0,0]=1 110 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 CC1=CN=C(Br)C=C1 SBB054301 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 CC1=CN=C(Br)C=N1 SBB054471 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.3 CC1=CN=C(Cl)C=C1 SBB085698 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 CC1=CN=C(N)C=C1 SBB004353 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 CC1=CN=C(N)C=N1 SBB069755 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.3 CC1=CN=C(S)N=C1 SBB021424 [0,1,0,0,0,0|2,1,0]=4 121 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,1,0,0,0,0|1,0,1]=3 122 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.3 CC1=NN=C(Cl)C=C1 SBB039123 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 ClC1=CC=C(Br)C=C1 SBB060209 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.3 ClC1=CC=C(Br)C=N1 SBB013973 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.3 ClC1=CC=C(I)C=N1 SBB013975 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.3 ClC1=CC=C(I)N=N1 SBB054548 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.3 ClC1=CN=C(Br)C=C1 SBB054397 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.3 ClC1=CN=C(Cl)C=C1 SBB054354 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.3 ClC1=CN=C(Cl)N=C1 SBB086615 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.3 ClC1=CN=C(I)C=C1 SBB054334 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.3 ClC1=NC=C(Br)C=N1 SBB048149 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.3 ClC1=NC=C(Br)N=C1 SBB091627 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.3 ClC1=NC=C(I)C=N1 SBB099308 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.3 ClC1=NN=C(Cl)C=C1 SBB058457 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.3 FC1=CC=C(Br)C=C1 SBB088991 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.3 FC1=CC=C(Br)N=C1 SBB089107 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.3 FC1=CC=C(Cl)C=C1 SBB085775 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.3 FC1=CC=C(I)C=C1 SBB096227 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.3 FC1=CC=C(I)C=N1 SBB013899 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.3 FC1=CN=C(Cl)C=C1 SBB085793 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.3 FC1=CN=C(Cl)N=C1 SBB085824 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.3 FC1=NC=C(Br)C=C1 SBB089108 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.3 FC1=NC=C(Br)C=N1 SBB089223 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.3 FC1=NC=C(Cl)C=C1 SBB085795 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.3 IC1=CC=C(I)N=N1 SBB054544 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.3 NC1=CC=C(Br)C=C1 SBB040491 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.3 NC1=CC=C(Br)N=C1 SBB005540 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.3 NC1=CC=C(Cl)C=C1 SBB040490 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.3 NC1=CC=C(Cl)N=C1 SBB004234 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.3 NC1=CC=C(F)C=C1 SBB040453 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.3 NC1=CC=C(F)N=C1 SBB051873 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.3 NC1=CC=C(I)C=N1 SBB028436 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.3 NC1=CC=C(I)N=N1 SBB051975 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.3 NC1=CC=C(O)C=C1 SBB059792 [0,1,0,0,0,0|0,0,0]=1 156 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [0,1,0,0,0,0|0,1,0]=2 158 B8R1.3 NC1=CN=C(Br)C=N1 SBB028377 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.3 NC1=CN=C(Cl)N=C1 SBB051953 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.3 NC1=CN=C(I)C=C1 SBB070540 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.3 NC1=CN=C(N)C=C1 SBB004342 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.3 NC1=NC=C(Br)C=C1 SBB003823 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.3 NC1=NC=C(Br)C=N1 SBB000184 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.3 NC1=NC=C(Cl)C=C1 SBB000059 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.3 NC1=NC=C(Cl)C=N1 SBB005486 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.3 NC1=NC=C(F)C=C1 SBB013948 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.3 NC1=NC=C(I)C=N1 SBB028441 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.3 NC1=NN=C(Cl)C=C1 SBB005487 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [0,1,0,0,0,0|0,0,1]=2 170 B8R1.3 O=C1C=CC(Br)=CN1 SBB003806 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.3 O=C1C=CC(Cl)=CN1 SBB004227 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.3 OC1=CC=C(Br)C=C1 SBB040917 [0,1,0,0,0,0|0,0,0]=1 173 B8R1.3 OC1=CC=C(Cl)C=C1 SBB040864 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.3 OC1=CC=C(F)C=C1 SBB040810 [0,1,0,0,0,0|0,0,0]=1 175 B8R1.3 OC1=CC=C(O)C=C1 SBB060421 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [0,1,0,0,0,0|1,0,0]=2 177 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.3 OC1=NC=C(Br)C=N1 SBB059601 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.3 OC1=NC=C(Br)N=C1 SBB062713 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.3 OC1=NN=C(O)C=C1 SBB004322 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [0,1,0,0,0,0|0,1,0]=2 184 B8R1.4 BrC1=CC(I)=CC=N1 SBB013971 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.4 BrC1=CC=CC(Br)=N1 SBB059469 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.4 BrC1=CC=NC(Br)=C1 SBB013976 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.4 BrC1=CC=NC(Br)=N1 SBB054494 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003237 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.4 BrC1=CN=CC(Br)=C1 SBB003238 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.4 BrC1=NC(I)=CC=C1 SBB054359 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.4 CC1=CC(=O)NC=C1 SBB004346 [0,1,0,0,0,0|1,0,1]=3 192 B8R1.4 CC1=CC(=O)NN=C1 SBB055936 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.4 CC1=CC(Br)=NC=C1 SBB054348 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.4 CC1=CC(C)=NC=N1 SBB059547 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.4 CC1=CC(Cl)=NC=C1 SBB054263 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.4 CC1=CC(F)=NC=C1 SBB054405 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.4 CC1=CC(N)=CC=C1 SBB040444 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.4 CC1=CC(N)=NC=C1 SBB004354 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.4 CC1=CC(O)=CC=C1 SBB060101 [0,1,0,0,0,0|0,0,0]=1 200 B8R1.4 CC1=CC(O)=NC=N1 SBB081936 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.4 CC1=CC=CC(=O)N1 SBB004345 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.4 CC1=CC=CC(Br)=C1 SBB060207 [0,1,0,0,0,0|1,0,0]=2 203 B8R1.4 CC1=CC=CC(Br)=N1 SBB054376 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.4 CC1=CC=CC(C)=N1 SBB060371 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.4 CC1=CC=CC(Cl)=N1 SBB048080 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.4 CC1=CC=CC(F)=C1 SBB061650 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.4 CC1=CC=CC(I)=N1 SBB054318 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.4 CC1=CC=CC(N)=N1 SBB004355 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.4 CC1=CC=NC(=O)N1 SBB004102 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.4 CC1=CC=NC(=S)N1 SBB003935 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.4 CC1=CC=NC(C)=C1 SBB060369 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.4 CC1=CC=NC(N)=N1 SBB004343 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.4 CC1=CN=CC(Br)=C1 SBB054290 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.4 CC1=CN=CC(Br)=N1 SBB054472 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.4 CC1=CN=CC(C)=C1 SBB060372 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.4 CC1=CN=CC(Cl)=N1 SBB054461 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.4 CC1=CN=CC(N)=C1 SBB051822 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.4 CC1=CN=CC(N)=N1 SBB051946 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.4 CC1=CN=CC(O)=C1 SBB055598 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.4 CC1=CN=NC(Cl)=C1 SBB054545 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.4 CC1=NC(=S)NC=C1 SBB003934 [0,1,0,0,0,0|2,1,0]=4 222 B8R1.4 CC1=NC(Cl)=NC=C1 SBB054509 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.4 CC1=NC(S)=NC=C1 SBB055918 [0,1,0,0,0,0|2,1,0]=4 224 B8R1.4 CC1=NC=CC(Br)=C1 SBB088565 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.4 CC1=NC=CC(Cl)=N1 SBB085538 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.4 CC1=NC=CC(N)=C1 SBB027134 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.4 CC1=NC=NC(Cl)=C1 SBB039515 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.4 ClC1=CC(Br)=NC=C1 SBB054398 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.4 ClC1=CC(Cl)=NC=N1 SBB054475 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.4 ClC1=CC=CC(Cl)=N1 SBB040849 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.4 ClC1=CC=CC(I)=C1 SBB098968 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.4 ClC1=CC=NC(Cl)=C1 SBB013978 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.4 ClC1=CN=CC(Cl)=N1 SBB054463 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.4 ClC1=NC(Cl)=NC=C1 SBB048117 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.4 ClC1=NC=CC(Br)=C1 SBB054396 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.4 ClC1=NC=CC(I)=C1 SBB054361 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.4 FC1=CC(Br)=CC=C1 SBB088990 [0,1,0,0,0,0|1,0,0]=2 238 B8R1.4 FC1=CC(Br)=CN=C1 SBB054265 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.4 FC1=CC(Br)=NC=C1 SBB089109 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.4 FC1=CC(Cl)=NC=N1 SBB085823 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.4 FC1=CC(I)=CC=C1 SBB096228 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.4 FC1=CC=CC(Br)=N1 SBB089103 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.4 FC1=CC=CC(Cl)=C1 SBB085773 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.4 FC1=CC=NC(Cl)=C1 SBB013977 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.4 FC1=CN=CC(Cl)=C1 SBB085794 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.4 FC1=CN=CC(F)=C1 SBB054377 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.4 FC1=NC=CC(Br)=C1 SBB089106 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.4 FC1=NC=CC(Cl)=C1 SBB054331 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.4 FC1=NC=CC(I)=C1 SBB054283 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.4 NC1=CC(Br)=CC=C1 SBB040484 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.4 NC1=CC(Br)=CN=C1 SBB044004 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.4 NC1=CC(Br)=NC=C1 SBB028374 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.4 NC1=CC(Cl)=CN=C1 SBB069846 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.4 NC1=CC(Cl)=NC=C1 SBB004235 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.4 NC1=CC(Cl)=NC=N1 SBB017910 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.4 NC1=CC(N)=NC=C1 SBB069750 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.4 NC1=CC(N)=NC=N1 SBB004336 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.4 NC1=CC(O)=CC=C1 SBB059791 [0,1,0,0,0,0|0,0,0]=1 259 B8R1.4 NC1=CC=CC(Br)=N1 SBB028373 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.4 NC1=CC=CC(Cl)=C1 SBB040450 [0,1,0,0,0,0|1,0,0]=2 261 B8R1.4 NC1=CC=CC(F)=C1 SBB059856 [0,1,0,0,0,0|1,0,0]=2 262 B8R1.4 NC1=CC=CC(N)=N1 SBB004340 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.4 NC1=NC(=O)NC=C1 SBB071711 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.4 NC1=NC(Cl)=CC=C1 SBB028231 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.4 NC1=NC(Cl)=CC=N1 SBB042043 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.4 NC1=NC(Cl)=CN=C1 SBB005488 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.4 NC1=NC(Cl)=NC=C1 SBB085748 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.4 NC1=NC(F)=CC=C1 SBB069764 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.4 NC1=NC=CC(Br)=C1 SBB016050 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.4 NC1=NC=CC(Br)=N1 SBB088837 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.4 NC1=NC=CC(Cl)=C1 SBB051892 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.4 NC1=NC=CC(F)=C1 SBB051908 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.4 NC1=NC=NC(O)=C1 SBB028189 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.4 O=C1C=C(I)C=CN1 SBB054248 [0,1,0,0,0,0|1,0,1]=3 275 B8R1.4 O=C1C=CC=C(Cl)N1 SBB004228 [0,1,0,0,0,0|1,0,1]=3 276 B8R1.4 O=C1C=CC=C(O)N1 SBB004090 [0,1,0,0,0,0|1,0,0]=2 277 B8R1.4 O=C1C=CNC(=O)N1 SBB058492 [0,1,0,0,0,0|2,0,1]=4 278 B8R1.4 OC1=CC(Cl)=CN=C1 SBB054268 [0,1,0,0,0,0|1,0,0]=2 279 B8R1.4 OC1=CC(O)=NC=N1 SBB080740 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.4 OC1=CC=CC(Cl)=C1 SBB061136 [0,1,0,0,0,0|0,0,0]=1 281 B8R1.4 OC1=CC=CC(O)=C1 SBB040843 [0,1,0,0,0,0|0,0,0]=1 282 B8R1.4 OC1=CC=NC(Cl)=C1 SBB085746 [0,1,0,0,0,0|1,0,0]=2 283 B8R1.4 OC1=CC=NC(O)=C1 SBB004331 [0,1,0,0,0,0|1,0,0]=2 284 B8R1.4 OC1=CN=CC(Br)=C1 SBB081337 [0,1,0,0,0,0|1,0,0]=2 285 B8R1.4 OC1=CN=CC(F)=C1 SBB062707 [0,1,0,0,0,0|1,0,0]=2 286 B8R1.4 OC1=NC(C)=CC=N1 SBB004337 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.4 OC1=NC(S)=NC=C1 SBB007592 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.4 OC1=NC(S)=NN=C1 SBB059748 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.4 OC1=NC=CC(Br)=C1 SBB054250 [0,1,0,0,0,0|1,0,0]=2 290 B8R1.4 SC1=CC=CC(Br)=C1 SBB066529 [0,1,0,0,0,0|0,1,0]=2 291 B8R1.4 SC1=NC=CC(N)=N1 SBB005532 [0,1,0,0,0,0|2,1,0]=4 292 B8R1.4 [NH3+]C1=CC=CC([NH3+])=C1 SBB061252 [0,1,0,0,0,0|1,0,0]=2 293 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 SBB088833 [0,1,0,0,0,0|1,0,1]=3 294 B8R1.5 BrC1=CC=CN=C1Br SBB003239 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.5 BrC1=CC=CN=C1I SBB054393 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.5 CC1=C(C)C=CC=C1 SBB040816 [0,1,0,0,0,0|1,0,0]=2 297 B8R1.5 CC1=C(C)C=NC=C1 SBB040907 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.5 CC1=C(Cl)N=NC=C1 SBB054543 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.5 CC1=C(N)C=CC=C1 SBB028141 [0,1,0,0,0,0|1,0,0]=2 301 B8R1.5 CC1=C(N)C=CN=C1 SBB027197 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.5 CC1=C(N)C=NC=C1 SBB028185 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.5 CC1=CC=CC=C1N SBB058642 [0,1,0,0,0,0|1,0,0]=2 304 B8R1.5 CC1=CC=CC=C1O SBB060100 [0,1,0,0,0,0|0,0,0]=1 305 B8R1.5 CC1=CC=CN=C1Br SBB054403 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.5 CC1=CC=CN=C1I SBB054379 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.5 CC1=CC=CN=C1N SBB004356 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.5 CC1=CC=CNC1=O SBB040120 [0,1,0,0,0,0|1,0,1]=3 309 B8R1.5 CC1=CC=NC=C1Br SBB054294 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.5 CC1=CC=NC=C1O SBB055538 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.5 CC1=NC=CC=C1Br SBB054275 [0,1,0,0,0,0|2,0,0]=3 312 B8R1.5 CC1=NC=CC=C1Cl SBB054401 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.5 CC1=NC=CC=C1N SBB069748 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.5 CN1C=CC=CC1=S SBB085613 [0,1,0,0,0,0|1,1,0]=3 315 B8R1.5 C[N+]1=CC=CC=C1Br SBB088730 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.5 ClC1=C(Cl)N=CC=C1 SBB086564 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.5 ClC1=C(I)C=CC=N1 SBB013979 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.5 ClC1=CC=CC=C1Cl SBB040881 [0,1,0,0,0,0|1,0,0]=2 319 B8R1.5 ClC1=CC=CN=C1Br SBB054378 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.5 ClC1=CC=CN=C1I SBB051904 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.5 ClC1=CC=NC=C1Br SBB054249 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.5 ClC1=CC=NC=C1Cl SBB054368 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.5 ClC1=CN=CC=C1Br SBB054284 [0,1,0,0,0,0|2,0,0]=3 324 B8R1.5 ClC1=CN=CC=C1I SBB054367 [0,1,0,0,0,0|2,0,0]=3 325 B8R1.5 ClC1=NC=CC=C1Br SBB003618 [0,1,0,0,0,0|2,0,0]=3 326 B8R1.5 ClC1=NC=CN=C1Cl SBB080632 [0,1,0,0,0,0|3,0,0]=4 327 B8R1.5 FC1=C(Br)C=CC=C1 SBB088989 [0,1,0,0,0,0|1,0,0]=2 328 B8R1.5 FC1=C(Cl)C=CC=C1 SBB085774 [0,1,0,0,0,0|1,0,0]=2 329 B8R1.5 FC1=C(Cl)C=CN=C1 SBB088125 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.5 FC1=C(I)C=CC=C1 SBB096229 [0,1,0,0,0,0|1,0,0]=2 331 B8R1.5 FC1=C(I)C=CN=C1 SBB096406 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.5 FC1=CC=CN=C1Br SBB089105 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.5 FC1=CC=CN=C1Cl SBB085791 [0,1,0,0,0,0|2,0,0]=3 334 B8R1.5 FC1=CN=CN=C1Cl SBB085825 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.5 FC1=NC=CC=C1Br SBB054288 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.5 FC1=NC=CC=C1Cl SBB085790 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.5 FC1=NC=CC=C1I SBB096409 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.5 NC1=C(Br)C=CC=C1 SBB058717 [0,1,0,0,0,0|1,0,0]=2 339 B8R1.5 NC1=C(Br)C=NC=C1 SBB005537 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.5 NC1=C(Cl)C=CC=N1 SBB015835 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.5 NC1=C(Cl)C=CN=C1 SBB028232 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.5 NC1=C(Cl)N=CC=C1 SBB004233 [0,1,0,0,0,0|2,0,0]=3 343 B8R1.5 NC1=C(F)C=NC=C1 SBB069765 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.5 NC1=C(I)C=CC=N1 SBB028437 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.5 NC1=C(I)C=CN=C1 SBB070538 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.5 NC1=C(N)C=NC=C1 SBB004341 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.5 NC1=C(N)N=CN=C1 SBB004335 [0,1,0,0,0,0|3,0,0]=4 348 B8R1.5 NC1=C(O)C=CC=C1 SBB040832 [0,1,0,0,0,0|0,0,0]=1 349 B8R1.5 NC1=C(O)C=CC=N1 SBB028186 [0,1,0,0,0,0|1,0,0]=2 350 B8R1.5 NC1=C(S)C=CC=C1 SBB009960 [0,1,0,0,0,0|0,1,0]=2 351 B8R1.5 NC1=CC=CC=C1Cl SBB040494 [0,1,0,0,0,0|1,0,0]=2 352 B8R1.5 NC1=CC=CC=C1Cl SBB087744 [0,1,0,0,0,0|1,0,0]=2 353 B8R1.5 NC1=CC=CC=C1F SBB040472 [0,1,0,0,0,0|1,0,0]=2 354 B8R1.5 NC1=CC=CC=C1I SBB016575 [0,1,0,0,0,0|1,0,0]=2 355 B8R1.5 NC1=CC=CC=C1N SBB040801 [0,1,0,0,0,0|1,0,0]=2 356 B8R1.5 NC1=CC=CN=C1Br SBB005539 [0,1,0,0,0,0|2,0,0]=3 357 B8R1.5 NC1=CC=CN=C1N SBB004339 [0,1,0,0,0,0|2,0,0]=3 358 B8R1.5 NC1=CC=CN=C1O SBB051906 [0,1,0,0,0,0|1,0,0]=2 359 B8R1.5 NC1=CC=CNC1=O SBB000038 [0,1,0,0,0,0|1,0,1]=3 360 B8R1.5 NC1=CC=NC=C1Cl SBB051889 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.5 NC1=CC=NC=C1I SBB028438 [0,1,0,0,0,0|2,0,0]=3 362 B8R1.5 NC1=CC=NC=C1O SBB051918 [0,1,0,0,0,0|1,0,0]=2 363 B8R1.5 NC1=CN=CC=C1O SBB051888 [0,1,0,0,0,0|1,0,0]=2 364 B8R1.5 NC1=NC=CC=C1Br SBB005538 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.5 NC1=NC=CC=C1F SBB051797 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.5 NC1=NC=CC=C1S SBB065453 [0,1,0,0,0,0|1,1,0]=3 367 B8R1.5 NC1=NC=CN=C1Cl SBB006510 [0,1,0,0,0,0|3,0,0]=4 368 B8R1.5 NC1=[N+]([O-])C=CC=C1 SBB051816 [0,1,0,0,0,0|1,0,1]=3 369 B8R1.5 O=C1C=CC=CN1O SBB004329 [0,1,0,0,0,0|1,0,0]=2 370 B8R1.5 O=C1NC=CC=C1Br SBB088834 [0,1,0,0,0,0|1,0,1]=3 371 B8R1.5 OC1=C(Br)C=NC=C1 SBB088832 [0,1,0,0,0,0|1,0,0]=2 372 B8R1.5 OC1=C(O)N=CC=C1 SBB004333 [0,1,0,0,0,0|1,0,0]=2 373 B8R1.5 OC1=CC=CC=C1I SBB055205 [0,1,0,0,0,0|0,0,0]=1 374 B8R1.5 OC1=CC=CC=C1O SBB040792 [0,1,0,0,0,0|0,0,0]=1 375 B8R1.5 OC1=CC=CN=C1Br SBB003805 [0,1,0,0,0,0|1,0,0]=2 376 B8R1.5 OC1=CC=CN=C1Cl SBB054358 [0,1,0,0,0,0|1,0,0]=2 377 B8R1.5 OC1=CC=CN=C1I SBB054374 [0,1,0,0,0,0|1,0,0]=2 378 B8R1.5 OC1=NC=CC=C1Cl SBB054336 [0,1,0,0,0,0|1,0,0]=2 379 B8R1.5 SC1=CC=CC=C1Br SBB063171 [0,1,0,0,0,0|0,1,0]=2 380 B8R1.5 [O-][N+]1=C(S)C=CC=C1 SBB065304 [0,1,0,0,0,0|1,0,1]=3 381 B8R1.5 [O-][N+]1=CC=CC=C1Cl SBB085747 [0,1,0,0,0,0|1,0,1]=3 382 B8R1.5 [O-][N+]1=CC=CC=C1O SBB004330 [0,1,0,0,0,0|1,0,0]=2 383 B6R0.4 C=CCCC(=O)O SBB061214 [0,0,1,0,0,0|1,0,2]=4 384 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,0,1,0,0,0|1,0,2]=4 385 B6R1.2 BrC1=CC=CO1 SBB054415 [0,0,0,0,1,0|2,0,0]=3 386 B6R1.2 BrC1=CC=CS1 SBB003931 [0,0,0,0,1,0|2,0,0]=3 387 B6R1.2 BrC1=CC=NN1 SBB062821 [0,0,0,0,1,0|3,0,0]=4 388 B6R1.2 BrC1=CC=NS1 SBB027176 [0,0,0,0,1,0|3,0,0]=4 389 B6R1.2 BrC1=CN=CS1 SBB054428 [0,0,0,0,1,0|3,0,0]=4 390 B6R1.2 BrC1=CNN=C1 SBB000097 [0,0,0,0,1,0|3,0,0]=4 391 B6R1.2 BrC1=COC=C1 SBB004098 [0,0,0,0,1,0|2,0,0]=3 392 B6R1.2 BrC1=CSC=C1 SBB003930 [0,0,0,0,1,0|2,0,0]=3 393 B6R1.2 BrC1=CSN=C1 SBB013032 [0,0,0,0,1,0|3,0,0]=4 394 B6R1.2 BrC1=NC=CN1 SBB054452 [0,0,0,0,1,0|3,0,0]=4 395 B6R1.2 BrC1=NC=CS1 SBB003918 [0,0,0,0,1,0|3,0,0]=4 396 B6R1.2 CC1=CN=CS1 SBB055804 [0,0,0,0,1,0|3,0,0]=4 397 B6R1.2 CC1=CNN=C1 SBB004402 [0,0,0,0,1,0|3,0,0]=4 398 B6R1.2 CC1=CON=C1 SBB025727 [0,0,0,0,1,0|3,0,0]=4 399 B6R1.2 CC1=NC=CN1 SBB040944 [0,0,0,0,1,0|3,0,0]=4 400 B6R1.2 CC1=NNC=C1 SBB004404 [0,0,0,0,1,0|3,0,0]=4 401 B6R1.2 CN1C=CC=N1 SBB013729 [0,0,0,0,1,0|3,0,0]=4 402 B6R1.2 CN1C=CN=C1 SBB007574 [0,0,0,0,1,0|3,0,0]=4 403 B6R1.2 ClC1=CNN=C1 SBB000035 [0,0,0,0,1,0|3,0,0]=4 404 B6R1.2 ClC1=NC=CS1 SBB054425 [0,0,0,0,1,0|3,0,0]=4 405 B6R1.2 FC1=CC=CS1 SBB073288 [0,0,0,0,1,0|2,0,0]=3 406 B6R1.2 IC1=CC=CS1 SBB054409 [0,0,0,0,1,0|2,0,0]=3 407 B6R1.2 IC1=CNC=N1 SBB054451 [0,0,0,0,1,0|3,0,0]=4 408 B6R1.2 IC1=CNN=C1 SBB025965 [0,0,0,0,1,0|3,0,0]=4 409 B6R1.2 IC1=CSN=C1 SBB074233 [0,0,0,0,1,0|3,0,0]=4 410 B6R1.2 IC1=NC=CN1 SBB054450 [0,0,0,0,1,0|3,0,0]=4 411 B6R1.2 N1C=CC(I)=N1 SBB091657 [0,0,0,0,1,0|3,0,0]=4 412 B6R1.2 NC1=CN=CN1 SBB017132 [0,0,0,0,1,0|3,0,0]=4 413 B6R1.2 NC1=CN=CS1 SBB069743 [0,0,0,0,1,0|3,0,0]=4 414 B6R1.2 NC1=CNN=C1 SBB018730 [0,0,0,0,1,0|3,0,0]=4 415 B6R1.2 NC1=NC=CN1 SBB001015 [0,0,0,0,1,0|3,0,0]=4 416 B6R1.2 NC1=NC=CN1 SBB051944 [0,0,0,0,1,0|3,0,0]=4 417 B6R1.2 NC1=NC=CN1 SBB051945 [0,0,0,0,1,0|3,0,0]=4 418 B6R1.2 NC1=NC=CO1 SBB019333 [0,0,0,0,1,0|3,0,0]=4 419 B6R1.2 NC1=NC=CS1 SBB000070 [0,0,0,0,1,0|3,0,0]=4 420 B6R1.2 NC1=NC=CS1 SBB028135 [0,0,0,0,1,0|3,0,0]=4 421 B6R1.2 NC1=NNC=C1 SBB004401 [0,0,0,0,1,0|3,0,0]=4 422 B6R1.2 NC1=NOC=C1 SBB051928 [0,0,0,0,1,0|3,0,0]=4 423 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,0,1,0|1,0,2]=4 424 B6R1.2 O=C1NC=CN1 SBB071638 [0,0,0,0,1,0|2,0,1]=4 425 B6R1.2 SC1=CC=CS1 SBB059094 [0,0,0,0,1,0|1,1,0]=3 426 B6R1.2 SC1=NC=CN1 SBB004368 [0,0,0,0,1,0|2,1,0]=4 427 B6R1.2 SC1=NC=CS1 SBB066357 [0,0,0,0,1,0|2,1,0]=4 428 B8R1.22 O=C1C=CC=CC=C1 SBB057378 [0,0,0,0,0,1|0,0,1]=2 429 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,1,1,0,0,0|1,0,0]=3 430 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,1,1,0,0,0|2,0,0]=4 431 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,1,1,0,0,0|2,0,0]=4 432 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,1,1,0,0,0|2,0,0]=4 433 B7R1.1 BrCC1=CSC=C1 SBB070721 [0,1,0,0,1,0|2,0,0]=4 434 B7R1.1 C#CC1=CC=CS1 SBB008821 [0,1,0,0,1,0|2,0,0]=4 435 B7R1.1 C#CC1=CSC=C1 SBB066455 [0,1,0,0,1,0|2,0,0]=4 436 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,1,0,0,1,0|1,0,1]=4 437 B7R1.1 CSC1=CC=CS1 SBB085766 [0,1,0,0,1,0|1,1,0]=4 438 B7R1.1 CSC1=CSC=C1 SBB055747 [0,1,0,0,1,0|1,1,0]=4 439 B7R1.1 N#CC1=CC=CN1 SBB067109 [0,1,0,0,1,0|2,0,0]=4 440 B7R1.1 N#CC1=CC=CO1 SBB055776 [0,1,0,0,1,0|2,0,0]=4 441 B7R1.1 N#CC1=CC=CS1 SBB055745 [0,1,0,0,1,0|2,0,0]=4 442 B7R1.1 N#CC1=CSC=C1 SBB047994 [0,1,0,0,1,0|2,0,0]=4 443 B7R1.1 NCC1=CC=CO1 SBB004376 [0,1,0,0,1,0|2,0,0]=4 444 B7R1.1 NCC1=CC=CS1 SBB004315 [0,1,0,0,1,0|2,0,0]=4 445 B7R1.1 NCC1=CSC=C1 SBB079179 [0,1,0,0,1,0|2,0,0]=4 446 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,1,0,0,1,0|1,0,1]=4 447 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,1,0,0,1,0|1,0,1]=4 448 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,1,0,0,1,0|1,0,1]=4 449 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,1,0,0,1,0|1,0,1]=4 450 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,1,0,0,1,0|1,0,1]=4 451 B7R1.1 O=CC1=COC=C1 SBB004385 [0,1,0,0,1,0|1,0,1]=4 452 B7R1.1 OCC1=CC=CO1 SBB004373 [0,1,0,0,1,0|1,0,0]=3 453 B7R1.1 OCC1=CC=CS1 SBB058563 [0,1,0,0,1,0|1,0,0]=3 454 B7R1.1 OCC1=CC=NN1 SBB014141 [0,1,0,0,1,0|2,0,0]=4 455 B7R1.1 OCC1=CN=CS1 SBB066375 [0,1,0,0,1,0|2,0,0]=4 456 B7R1.1 OCC1=CNC=N1 SBB004207 [0,1,0,0,1,0|2,0,0]=4 457 B7R1.1 OCC1=CNC=N1 SBB054821 [0,1,0,0,1,0|2,0,0]=4 458 B7R1.1 OCC1=CNN=C1 SBB073660 [0,1,0,0,1,0|2,0,0]=4 459 B7R1.1 OCC1=CSC=C1 SBB004309 [0,1,0,0,1,0|1,0,0]=3 460 B7R1.1 OCC1=CSC=N1 SBB066562 [0,1,0,0,1,0|2,0,0]=4 461 B7R1.1 OCC1=NC=CN1 SBB054820 [0,1,0,0,1,0|2,0,0]=4 462 B7R1.1 OCC1=NC=CS1 SBB054805 [0,1,0,0,1,0|2,0,0]=4 463 B7R1.1 SCC1=CC=CO1 SBB004308 [0,1,0,0,1,0|1,1,0]=4 464 B7R1.2 BrC1=CSC(Br)=C1 SBB099511 [0,1,0,0,1,0|2,0,0]=4 465 B7R1.2 CC1=CC=C(C)N1 SBB059455 [0,1,0,0,1,0|2,0,0]=4 466 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [0,1,0,0,1,0|2,0,0]=4 467 B7R1.2 CC1=CNC(C)=C1 SBB059454 [0,1,0,0,1,0|2,0,0]=4 468 B7R1.2 IC1=CC=C(I)S1 SBB058942 [0,1,0,0,1,0|2,0,0]=4 469 B7R1.2 NC1=CC=C(S)S1 SBB000065 [0,1,0,0,1,0|1,1,0]=4 470 B7R1.2 NC1=NNC(O)=C1 SBB005531 [0,1,0,0,1,0|2,0,0]=4 471 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,1,0,0,1,0|1,0,1]=4 472 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,1,0,0,1,0|1,0,1]=4 473 B7R1.2 [O-][N+]1=CN(O)C=C1 SBB044881 [0,1,0,0,1,0|2,0,0]=4 474 B7R1.4 BrC1=C(Br)SC=C1 SBB059557 [0,1,0,0,1,0|2,0,0]=4 475 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [0,1,0,0,1,0|2,0,0]=4 476 B7R1.4 ClC1=C(Br)C=CS1 SBB092197 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.1 C#CC1=CC=C(Br)C=C1 SBB064530 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.1 C#CC1=CC=C(F)C=C1 SBB064531 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [0,2,0,0,0,0|1,0,1]=4 482 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,2,0,0,0,0|0,0,0]=2 486 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,2,0,0,0,0|0,1,0]=3 487 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,2,0,0,0,0|1,0,1]=4 489 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,2,0,0,0,0|1,0,1]=4 491 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,2,0,0,0,0|0,0,0]=2 498 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,2,0,0,0,0|0,0,0]=2 500 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,2,0,0,0,0|0,0,0]=2 502 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,2,0,0,0,0|0,0,0]=2 503 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,2,0,0,0,0|0,0,0]=2 504 B9R1.1 COC1=CC=C(I)N=N1 SBB054551 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,2,0,0,0,0|0,0,0]=2 506 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,2,0,0,0,0|0,0,0]=2 507 B9R1.1 COC1=CN=C(N)C=N1 SBB069821 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.1 COC1=NC=C(Br)C=N1 SBB090872 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.1 COC1=NC=C(N)C=N1 SBB051954 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.1 COC1=NN=C(Cl)C=C1 SBB004124 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,2,0,0,0,0|0,1,0]=3 514 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.1 FC1=CC=C([Zn]Br)C=C1 SBB099307 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.1 N#CC1=CC=C(Br)C=C1 SBB054163 [0,2,0,0,0,0|1,0,0]=3 521 B9R1.1 N#CC1=CC=C(Cl)C=C1 SBB028659 [0,2,0,0,0,0|1,0,0]=3 522 B9R1.1 N#CC1=CC=C(Cl)N=C1 SBB054388 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.1 N#CC1=CC=C(F)C=C1 SBB059276 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.1 N#CC1=CC=C(I)C=C1 SBB017618 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.1 N#CC1=CC=C(N)C=C1 SBB008363 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.1 N#CC1=CC=C(O)C=C1 SBB008054 [0,2,0,0,0,0|0,0,0]=2 527 B9R1.1 N#CC1=CN=C(Br)C=C1 SBB054266 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.1 N#CC1=CN=C(N)C=C1 SBB004293 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.1 N#CC1=NC=C(Br)C=C1 SBB055727 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.1 N#CC1=NC=C(Cl)C=C1 SBB055739 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.1 N#CC1=NC=C(N)C=C1 SBB055614 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.1 N#CC1=NC=C(O)C=C1 SBB065240 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,2,0,0,0,0|0,0,0]=2 534 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,2,0,0,0,0|1,0,0]=3 535 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,2,0,0,0,0|0,1,0]=3 536 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,2,0,0,0,0|0,0,0]=2 545 B9R1.1 NNC1=CC=C(Br)C=C1 SBB017153 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.1 NNC1=CC=C(Br)C=N1 SBB068975 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.1 NNC1=CC=C(Cl)C=C1 SBB017155 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.1 NNC1=CC=C(F)C=C1 SBB012626 [0,2,0,0,0,0|1,0,0]=3 549 B9R1.1 NNC1=CC=C(F)C=C1 SBB063152 [0,2,0,0,0,0|1,0,0]=3 550 B9R1.1 NNC1=CC=C(I)C=C1 SBB017151 [0,2,0,0,0,0|1,0,0]=3 551 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [0,2,0,0,0,0|0,0,1]=3 552 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [0,2,0,0,0,0|0,0,1]=3 554 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [0,2,0,0,0,0|0,0,1]=3 556 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [0,2,0,0,0,0|0,0,0]=2 557 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [0,2,0,0,0,0|1,0,1]=4 559 B9R1.1 O=CC1=NC=C(Br)C=C1 SBB052231 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.1 O=CC1=NC=C(Cl)C=C1 SBB086215 [0,2,0,0,0,0|1,0,1]=4 561 B9R1.1 O=CC1=NC=C(F)C=C1 SBB065526 [0,2,0,0,0,0|1,0,1]=4 562 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,2,0,0,0,0|0,0,0]=2 563 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,2,0,0,0,0|0,0,0]=2 564 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,2,0,0,0,0|0,0,0]=2 565 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,2,0,0,0,0|0,0,0]=2 567 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,2,0,0,0,0|0,0,0]=2 568 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,2,0,0,0,0|0,1,0]=3 572 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,2,0,0,0,0|0,0,0]=2 573 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.1 [NH3+]NC1=CC=C(Cl)C=C1 SBB058434 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.2 C#CC1=CC=CC(F)=C1 SBB064527 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.2 C#CC1=CC=CC(N)=C1 SBB064269 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.2 C#CC1=CC=CC(O)=C1 SBB005886 [0,2,0,0,0,0|0,0,0]=2 578 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,2,0,0,0,0|0,0,0]=2 589 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,2,0,0,0,0|0,1,0]=3 591 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [0,2,0,0,0,0|0,0,0]=2 600 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [0,2,0,0,0,0|0,0,0]=2 601 B9R1.2 COC1=CC(N)=NC=C1 SBB051898 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [0,2,0,0,0,0|0,0,0]=2 603 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,2,0,0,0,0|0,0,0]=2 605 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [0,2,0,0,0,0|0,0,0]=2 607 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [0,2,0,0,0,0|0,0,0]=2 608 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.2 COC1=CC=NC(Cl)=N1 SBB054496 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.2 COC1=NC(N)=NC=C1 SBB051950 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.2 COC1=NC=NC(Cl)=C1 SBB079086 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [0,2,0,0,0,0|1,0,0]=3 618 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.2 N#CC1=CC(Br)=CC=C1 SBB054164 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.2 N#CC1=CC(Br)=CN=C1 SBB040176 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.2 N#CC1=CC(Br)=NC=C1 SBB055728 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.2 N#CC1=CC(Cl)=NC=C1 SBB054236 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.2 N#CC1=CC(I)=CC=C1 SBB055464 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.2 N#CC1=CC(N)=NC=C1 SBB051817 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.2 N#CC1=CC=CC(Cl)=C1 SBB063150 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.2 N#CC1=CC=CC(F)=C1 SBB063653 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.2 N#CC1=CC=CC(N)=C1 SBB063161 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.2 N#CC1=CN=CC(O)=C1 SBB065305 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.2 N#CC1=NC(Br)=CC=C1 SBB065236 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.2 N#CC1=NC(Cl)=CC=C1 SBB054389 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.2 N#CC1=NC(F)=CC=C1 SBB065533 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.2 N#CC1=NC=CC(Br)=C1 SBB016160 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.2 N#CC1=NC=CC(N)=C1 SBB055731 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [0,2,0,0,0,0|0,0,0]=2 635 B9R1.2 NC1=NC=CC(CO)=C1 SBB046494 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.2 NC1=NC=NC(OC)=C1 SBB004268 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.2 NCC1=CC(Cl)=NC=C1 SBB052439 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.2 NNC1=CC(Cl)=CC=C1 SBB017147 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.2 NNC1=CC=CC(Br)=C1 SBB064980 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.2 NNC1=CC=CC(Cl)=C1 SBB063250 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.2 NNC1=CC=CC(F)=C1 SBB063994 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.2 NNC1=CC=NC(O)=N1 SBB065673 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.2 NNC1=NC(Cl)=CC=C1 SBB017872 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.2 O=CC1=CC(Br)=CN=C1 SBB052232 [0,2,0,0,0,0|1,0,1]=4 649 B9R1.2 O=CC1=CC(Br)=NC=C1 SBB052237 [0,2,0,0,0,0|1,0,1]=4 650 B9R1.2 O=CC1=CC(Cl)=NC=C1 SBB052242 [0,2,0,0,0,0|1,0,1]=4 651 B9R1.2 O=CC1=CC=CC(Br)=C1 SBB028648 [0,2,0,0,0,0|0,0,1]=3 652 B9R1.2 O=CC1=CC=CC(Cl)=C1 SBB040204 [0,2,0,0,0,0|0,0,1]=3 653 B9R1.2 O=CC1=CC=CC(F)=C1 SBB040273 [0,2,0,0,0,0|0,0,1]=3 654 B9R1.2 O=CC1=CC=CC(I)=C1 SBB064701 [0,2,0,0,0,0|0,0,1]=3 655 B9R1.2 O=CC1=CC=CC(O)=C1 SBB040208 [0,2,0,0,0,0|0,0,0]=2 656 B9R1.2 O=CC1=CN=CC(F)=C1 SBB065432 [0,2,0,0,0,0|1,0,1]=4 657 B9R1.2 O=CC1=NC(Br)=CC=C1 SBB052238 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.2 O=CC1=NC(Cl)=CC=C1 SBB052254 [0,2,0,0,0,0|1,0,1]=4 659 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [0,2,0,0,0,0|1,0,0]=3 660 B9R1.2 OCC1=CC(Br)=NC=C1 SBB054782 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,2,0,0,0,0|1,0,0]=3 662 B9R1.2 OCC1=CC(Cl)=NC=C1 SBB054800 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [0,2,0,0,0,0|0,0,0]=2 664 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [0,2,0,0,0,0|0,0,0]=2 665 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [0,2,0,0,0,0|0,0,0]=2 668 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [0,2,0,0,0,0|0,0,0]=2 669 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [0,2,0,0,0,0|1,0,0]=3 671 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,2,0,0,0,0|0,0,1]=3 673 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [0,2,0,0,0,0|1,0,1]=4 674 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,2,0,0,0,0|1,0,1]=4 675 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,2,0,0,0,0|1,0,1]=4 676 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [0,2,0,0,0,0|1,0,0]=3 679 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,2,0,0,0,0|0,0,0]=2 684 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.6 CN(C)C1=CC=NC=C1 SBB008765 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [0,2,0,0,0,0|1,0,0]=3 687 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [0,2,0,0,0,0|1,0,0]=3 689 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.6 N=C(N)C1=CC=CC=N1 SBB087246 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [0,2,0,0,0,0|0,0,1]=3 692 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [0,2,0,0,0,0|1,0,1]=4 693 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [0,2,0,0,0,0|1,0,1]=4 694 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [0,2,0,0,0,0|1,0,1]=4 695 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [0,2,0,0,0,0|0,1,0]=3 696 B9R1.6 NC(=S)C1=CC=CC=N1 SBB017638 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.6 NC(=S)C1=CC=NC=C1 SBB028258 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.6 NC(=S)C1=CN=CC=C1 SBB028259 [0,2,0,0,0,0|1,1,0]=4 699 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [0,2,0,0,0,0|0,0,1]=3 700 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [0,2,0,0,0,0|1,0,1]=4 701 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [0,2,0,0,0,0|1,0,1]=4 702 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [0,2,0,0,0,0|1,0,1]=4 703 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [0,2,0,0,0,0|0,0,1]=3 704 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,2,0,0,0,0|0,0,0]=2 705 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.6 O=C(O)C1=CC=NC=N1 SBB018520 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.6 O=C(O)C1=CC=NN=C1 SBB053242 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.6 O=C(O)C1=CN=CN=C1 SBB053218 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.6 O=C(O)C1=NC=CC=N1 SBB005602 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [0,2,0,0,0,0|0,0,1]=3 715 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 SBB065520 [0,2,0,0,0,0|1,0,1]=4 716 B9R1.6 OB(O)C1=CC=NC=C1 SBB004280 [0,2,0,0,0,0|1,0,0]=3 717 B9R1.6 OB(O)C1=CN=CC=C1 SBB025625 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.6 OB(O)C1=CN=CN=C1 SBB048076 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.6 OB(O)C1=NC=CC=C1 SBB052574 [0,2,0,0,0,0|1,0,0]=3 720 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,2,0,0,0,0|0,0,0]=2 729 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [0,2,0,0,0,0|1,0,0]=3 731 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.8 N#CCC1=CC=NC=C1 SBB066966 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.8 N#CSC1=CC=CC=C1 SBB060831 [0,2,0,0,0,0|0,1,0]=3 735 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [0,2,0,0,0,0|0,0,0]=2 742 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [0,2,0,0,0,0|0,0,0]=2 743 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [0,2,0,0,0,0|0,0,1]=3 744 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [0,2,0,0,0,0|0,0,1]=3 745 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [0,2,0,0,0,0|0,0,1]=3 746 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,2,0,0,0,0|0,0,0]=2 747 B9R1.8 O\N=C\C1=CC=CN=C1 SBB004285 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.8 O\N=C\C1=NC=CC=C1 SBB004284 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.8 S=C=NC1=CC=CC=C1 SBB040940 [0,2,0,0,0,0|0,1,0]=3 750 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [0,2,0,0,0,0|1,1,0]=4 751 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.15 C(=O)C1=CC=CN=C1Cl SBB004156 [0,2,0,0,0,0|1,0,1]=4 753 B9R1.15 CC1=C(C#N)C=CC=C1 SBB058479 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.15 CC1=C(C=O)C=CN=C1 SBB065410 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.15 CC1=C(C=O)C=NC=C1 SBB052236 [0,2,0,0,0,0|1,0,1]=4 756 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [0,2,0,0,0,0|1,0,0]=3 758 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [0,2,0,0,0,0|1,0,0]=3 759 B9R1.15 CC1=C(NN)C=CC=C1 SBB017148 [0,2,0,0,0,0|1,0,0]=3 760 B9R1.15 CC1=C(NN)C=CC=C1 SBB064148 [0,2,0,0,0,0|1,0,0]=3 761 B9R1.15 CC1=CC=CC=C1CO SBB065157 [0,2,0,0,0,0|0,0,0]=2 762 B9R1.15 CC1=CC=CC=C1CS SBB086035 [0,2,0,0,0,0|0,1,0]=3 763 B9R1.15 CC1=CC=CN=C1C#N SBB055741 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.15 CC1=CC=CN=C1C=O SBB052241 [0,2,0,0,0,0|1,0,1]=4 765 B9R1.15 CC1=CC=CN=C1CN SBB052454 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.15 CC1=CC=NC=C1C#N SBB055519 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [0,2,0,0,0,0|1,0,0]=3 768 B9R1.15 CCC1=CC=CC=C1C SBB061450 [0,2,0,0,0,0|1,0,0]=3 769 B9R1.15 CNC1=CC=CC=C1Cl SBB086216 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.15 CNC1=CC=CC=C1F SBB051706 [0,2,0,0,0,0|1,0,0]=3 771 B9R1.15 CNC1=CC=CC=C1N SBB071575 [0,2,0,0,0,0|1,0,0]=3 772 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.15 COC1=C(N)C=CC=C1 SBB028142 [0,2,0,0,0,0|0,0,0]=2 774 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [0,2,0,0,0,0|0,0,0]=2 775 B9R1.15 COC1=CC=CC=C1Cl SBB060957 [0,2,0,0,0,0|0,0,0]=2 776 B9R1.15 COC1=CC=CC=C1F SBB040818 [0,2,0,0,0,0|0,0,0]=2 777 B9R1.15 COC1=CC=CN=C1Br SBB005633 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.15 COC1=CC=CN=C1N SBB051907 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.15 COC1=CC=CN=C1O SBB046500 [0,2,0,0,0,0|1,0,0]=3 780 B9R1.15 COC1=NC=CN=C1N SBB051948 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [0,2,0,0,0,0|0,1,0]=3 782 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [0,2,0,0,0,0|0,1,0]=3 783 B9R1.15 CSC1=NC=CC=C1N SBB072554 [0,2,0,0,0,0|1,1,0]=4 784 B9R1.15 ClCC1=C(Cl)C=CC=C1 SBB040669 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.15 FC1=C(CBr)C=CC=C1 SBB058868 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.15 FC1=C(CCl)C=CC=C1 SBB040603 [0,2,0,0,0,0|1,0,0]=3 787 B9R1.15 N#CC1=C(Br)C=CC=C1 SBB008569 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.15 N#CC1=C(Br)C=CN=C1 SBB065311 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.15 N#CC1=C(Br)C=NC=C1 SBB065312 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.15 N#CC1=C(Cl)C=CC=C1 SBB058443 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.15 N#CC1=C(F)N=CC=C1 SBB065300 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.15 N#CC1=C(I)C=CC=C1 SBB059075 [0,2,0,0,0,0|1,0,0]=3 793 B9R1.15 N#CC1=C(I)C=CN=C1 SBB065313 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.15 N#CC1=C(I)C=NC=C1 SBB065314 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.15 N#CC1=C(N)C=CC=C1 SBB059814 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.15 N#CC1=C(O)C=CC=C1 SBB007959 [0,2,0,0,0,0|0,0,0]=2 797 B9R1.15 N#CC1=C(O)N=CC=C1 SBB065243 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.15 N#CC1=CC=CC=C1F SBB063132 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.15 N#CC1=CC=CN=C1Cl SBB013480 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.15 N#CC1=CC=CN=C1N SBB028201 [0,2,0,0,0,0|2,0,0]=4 801 B9R1.15 N#CC1=CC=NC=C1Cl SBB054381 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.15 N#CC1=CC=NC=C1F SBB055633 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.15 N#CC1=CC=NC=C1N SBB051880 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.15 N#CC1=NC=CC=C1Br SBB065323 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.15 N#CC1=NC=CC=C1Cl SBB065258 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.15 N#CC1=NC=CC=C1F SBB065259 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.15 N#CC1=NC=CC=C1I SBB065324 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.15 NC1=C(C=O)C=NC=C1 SBB014341 [0,2,0,0,0,0|1,0,1]=4 809 B9R1.15 NC1=C(CO)C=CC=C1 SBB058759 [0,2,0,0,0,0|0,0,0]=2 810 B9R1.15 NC1=CC=CC=C1C=O SBB061591 [0,2,0,0,0,0|0,0,1]=3 811 B9R1.15 NC1=CC=NC=C1CO SBB054791 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.15 NC1=CN=CC=C1C=O SBB052230 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.15 NC1=CN=CC=C1CO SBB054795 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.15 NC1=NC=CC=C1C=O SBB012985 [0,2,0,0,0,0|1,0,1]=4 815 B9R1.15 NC1=NC=CC=C1CO SBB054786 [0,2,0,0,0,0|1,0,0]=3 816 B9R1.15 NCC1=C(Cl)C=CC=C1 SBB004151 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.15 NCC1=C(F)C=CC=C1 SBB028214 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.15 NCC1=CC=CC=C1Br SBB052369 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.15 NCC1=CC=CC=C1Br SBB052411 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.15 NNC1=C(Cl)C=CC=C1 SBB017145 [0,2,0,0,0,0|1,0,0]=3 821 B9R1.15 NNC1=CC=CC=C1Br SBB017150 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.15 NNC1=CC=CC=C1Br SBB063185 [0,2,0,0,0,0|1,0,0]=3 823 B9R1.15 NNC1=CC=CC=C1F SBB012668 [0,2,0,0,0,0|1,0,0]=3 824 B9R1.15 NNC1=CC=CC=C1F SBB063993 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.15 NNC1=CC=CC=C1I SBB001769 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.15 NNC1=NC=CC=C1Cl SBB068633 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.15 O=CC1=C(F)C=NC=C1 SBB065535 [0,2,0,0,0,0|1,0,1]=4 828 B9R1.15 O=CC1=CC=CC=C1Br SBB040217 [0,2,0,0,0,0|0,0,1]=3 829 B9R1.15 O=CC1=CC=CC=C1Cl SBB040228 [0,2,0,0,0,0|0,0,1]=3 830 B9R1.15 O=CC1=CC=CC=C1F SBB040198 [0,2,0,0,0,0|0,0,1]=3 831 B9R1.15 O=CC1=CC=CC=C1I SBB017119 [0,2,0,0,0,0|0,0,1]=3 832 B9R1.15 O=CC1=CC=CC=C1O SBB040225 [0,2,0,0,0,0|0,0,0]=2 833 B9R1.15 O=CC1=CC=CN=C1Br SBB052224 [0,2,0,0,0,0|1,0,1]=4 834 B9R1.15 O=CC1=CC=CN=C1F SBB065263 [0,2,0,0,0,0|1,0,1]=4 835 B9R1.15 O=CC1=CC=NC=C1Br SBB052233 [0,2,0,0,0,0|1,0,1]=4 836 B9R1.15 O=CC1=CN=CC=C1Cl SBB065433 [0,2,0,0,0,0|1,0,1]=4 837 B9R1.15 O=CC1=NC=CC=C1F SBB065527 [0,2,0,0,0,0|1,0,1]=4 838 B9R1.15 OCC1=C(F)C=CC=C1 SBB064085 [0,2,0,0,0,0|0,0,0]=2 839 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.15 OCC1=CC=CC=C1Br SBB063922 [0,2,0,0,0,0|0,0,0]=2 841 B9R1.15 OCC1=CC=CC=C1Cl SBB058557 [0,2,0,0,0,0|0,0,0]=2 842 B9R1.15 OCC1=CC=CC=C1O SBB065036 [0,2,0,0,0,0|0,0,0]=2 843 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [0,2,0,0,0,0|1,0,0]=3 844 B9R1.15 SCC1=CC=CC=C1Br SBB066540 [0,2,0,0,0,0|0,1,0]=3 845 B9R1.15 [NH3+]NC1=CC=CC=C1Cl SBB058433 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.69 CC1=C(Br)C=C(F)C=C1 SBB090882 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.69 CC1=C(Br)C=C(N)C=C1 SBB001737 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 SBB054371 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.69 CC1=C(Br)C=CC(F)=C1 SBB090884 [0,2,0,0,0,0|1,0,0]=3 850 B9R1.69 CC1=C(Br)C=CC(F)=N1 SBB054321 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.69 CC1=C(Br)C=CC(N)=C1 SBB040486 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.69 CC1=C(Br)C=NC(N)=C1 SBB090524 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.69 CC1=C(C)C=C(F)C=C1 SBB085562 [0,2,0,0,0,0|1,0,0]=3 854 B9R1.69 CC1=C(C)C=C(N)C=C1 SBB040496 [0,2,0,0,0,0|1,0,0]=3 855 B9R1.69 CC1=C(Cl)C=C(F)C=C1 SBB086382 [0,2,0,0,0,0|1,0,0]=3 856 B9R1.69 CC1=C(Cl)C=CC(F)=C1 SBB086375 [0,2,0,0,0,0|1,0,0]=3 857 B9R1.69 CC1=C(Cl)C=CC(N)=N1 SBB069944 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 SBB013901 [0,2,0,0,0,0|2,0,0]=4 859 B9R1.69 CC1=C(F)C=C(Br)C=C1 SBB090880 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.69 CC1=C(F)C=C(Cl)C=C1 SBB086380 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.69 CC1=C(F)C=C(F)C=C1 SBB085715 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.69 CC1=C(F)C=C(I)C=C1 SBB098502 [0,2,0,0,0,0|1,0,0]=3 863 B9R1.69 CC1=C(F)C=CC(Br)=C1 SBB090877 [0,2,0,0,0,0|1,0,0]=3 864 B9R1.69 CC1=C(F)C=CC(Br)=N1 SBB091031 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.69 CC1=C(F)C=CC(Cl)=C1 SBB086379 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.69 CC1=C(F)C=CC(F)=C1 SBB085716 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.69 CC1=C(F)C=CC(O)=C1 SBB085652 [0,2,0,0,0,0|0,0,0]=2 868 B9R1.69 CC1=C(I)C=C(F)C=C1 SBB098508 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.69 CC1=C(N)C=C(Cl)C=C1 SBB028133 [0,2,0,0,0,0|1,0,0]=3 870 B9R1.69 CC1=C(N)C=C(N)C=C1 SBB007556 [0,2,0,0,0,0|1,0,0]=3 871 B9R1.69 CC1=C(N)C=CC(Cl)=C1 SBB040954 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.69 CC1=C(N)C=CC(N)=C1 SBB069792 [0,2,0,0,0,0|1,0,0]=3 873 B9R1.69 CC1=C(N)C=CC(O)=C1 SBB058775 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.69 CC1=C(N)C=NC(Cl)=C1 SBB004140 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.69 CC1=C(N)N=CC(Br)=C1 SBB003694 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.69 CC1=C(N)N=CC(I)=C1 SBB013201 [0,2,0,0,0,0|2,0,0]=4 877 B9R1.69 CC1=C(O)C=C(F)C=C1 SBB085644 [0,2,0,0,0,0|0,0,0]=2 878 B9R1.69 CC1=C(O)C=CC(Cl)=C1 SBB060653 [0,2,0,0,0,0|0,0,0]=2 879 B9R1.69 CC1=C(O)C=CC(F)=C1 SBB085648 [0,2,0,0,0,0|0,0,0]=2 880 B9R1.69 CC1=C(O)C=CC(O)=C1 SBB058737 [0,2,0,0,0,0|0,0,0]=2 881 B9R1.69 CC1=C(O)N=C(S)N=C1 SBB086243 [0,2,0,0,0,0|2,0,0]=4 882 B9R1.69 CC1=C(O)N=CC(Br)=C1 SBB013903 [0,2,0,0,0,0|1,0,0]=3 883 B9R1.69 CC1=CC(Br)=C(F)C=C1 SBB090881 [0,2,0,0,0,0|1,0,0]=3 884 B9R1.69 CC1=CC(Br)=CC=C1Br SBB054165 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.69 CC1=CC(Br)=CC=C1N SBB040871 [0,2,0,0,0,0|1,0,0]=3 886 B9R1.69 CC1=CC(Br)=CC=C1O SBB079997 [0,2,0,0,0,0|0,0,0]=2 887 B9R1.69 CC1=CC(Br)=CN=C1Br SBB003143 [0,2,0,0,0,0|2,0,0]=4 888 B9R1.69 CC1=CC(Br)=CN=C1F SBB091029 [0,2,0,0,0,0|2,0,0]=4 889 B9R1.69 CC1=CC(Br)=NC=C1Br SBB003142 [0,2,0,0,0,0|2,0,0]=4 890 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.69 CC1=CC(C)=C(F)C=C1 SBB085564 [0,2,0,0,0,0|1,0,0]=3 892 B9R1.69 CC1=CC(C)=C(N)C=N1 SBB051865 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.69 CC1=CC(C)=C(O)C=C1 SBB060657 [0,2,0,0,0,0|0,0,0]=2 894 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 SBB061466 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.69 CC1=CC(Cl)=C(F)C=C1 SBB086372 [0,2,0,0,0,0|1,0,0]=3 896 B9R1.69 CC1=CC(Cl)=CC=C1Cl SBB061484 [0,2,0,0,0,0|1,0,0]=3 897 B9R1.69 CC1=CC(Cl)=CN=C1N SBB051890 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.69 CC1=CC(Cl)=CN=C1O SBB054370 [0,2,0,0,0,0|1,0,0]=3 899 B9R1.69 CC1=CC(F)=C(Br)C=C1 SBB090876 [0,2,0,0,0,0|1,0,0]=3 900 B9R1.69 CC1=CC(F)=C(C)C=C1 SBB085563 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SBB086381 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.69 CC1=CC(F)=C(F)C=C1 SBB085714 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.69 CC1=CC(F)=C(I)C=C1 SBB098504 [0,2,0,0,0,0|1,0,0]=3 904 B9R1.69 CC1=CC(F)=C(O)C=C1 SBB085649 [0,2,0,0,0,0|0,0,0]=2 905 B9R1.69 CC1=CC(F)=CC=C1N SBB028217 [0,2,0,0,0,0|1,0,0]=3 906 B9R1.69 CC1=CC(F)=NC=C1Br SBB091037 [0,2,0,0,0,0|2,0,0]=4 907 B9R1.69 CC1=CC(I)=CC=C1F SBB098506 [0,2,0,0,0,0|1,0,0]=3 908 B9R1.69 CC1=CC(I)=CC=C1N SBB043651 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.69 CC1=CC(N)=C(N)C=C1 SBB007557 [0,2,0,0,0,0|1,0,0]=3 910 B9R1.69 CC1=CC(N)=CC=C1F SBB028220 [0,2,0,0,0,0|1,0,0]=3 911 B9R1.69 CC1=CC(N)=NC=C1Cl SBB051861 [0,2,0,0,0,0|2,0,0]=4 912 B9R1.69 CC1=CC(N)=NC=C1I SBB070617 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.69 CC1=CC(O)=C(C)C=C1 SBB060426 [0,2,0,0,0,0|0,0,0]=2 914 B9R1.69 CC1=CC(O)=C(F)C=C1 SBB085653 [0,2,0,0,0,0|0,0,0]=2 915 B9R1.69 CC1=CC(O)=C(O)C=C1 SBB061372 [0,2,0,0,0,0|0,0,0]=2 916 B9R1.69 CC1=CC(O)=CC=C1Br SBB043774 [0,2,0,0,0,0|0,0,0]=2 917 B9R1.69 CC1=CC(O)=CC=C1Cl SBB060654 [0,2,0,0,0,0|0,0,0]=2 918 B9R1.69 CC1=CC=C(Br)C(N)=N1 SBB005516 [0,2,0,0,0,0|2,0,0]=4 919 B9R1.69 CC1=CC=C(Br)C=C1Cl SBB055298 [0,2,0,0,0,0|1,0,0]=3 920 B9R1.69 CC1=CC=C(C)C(N)=C1 SBB040497 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.69 CC1=CC=C(Cl)C(N)=C1 SBB069932 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.69 CC1=CC=C(Cl)C=C1Cl SBB061465 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.69 CC1=CC=C(F)C(N)=C1 SBB028213 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.69 CC1=CC=C(F)C=C1N SBB004266 [0,2,0,0,0,0|1,0,0]=3 925 B9R1.69 CC1=CC=C(I)C=C1N SBB007547 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.69 CC1=CC=C(N)C(Br)=C1 SBB040485 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.69 CC1=CC=C(N)C(C)=C1 SBB040487 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.69 CC1=CC=C(N)C=C1F SBB028219 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.69 CC1=CC=C(O)C(Br)=C1 SBB079996 [0,2,0,0,0,0|0,0,0]=2 930 B9R1.69 CC1=CC=C(O)C(N)=C1 SBB051703 [0,2,0,0,0,0|0,0,0]=2 931 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [0,2,0,0,0,0|0,0,0]=2 932 B9R1.69 CC1=CC=C(O)C=C1F SBB085647 [0,2,0,0,0,0|0,0,0]=2 933 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 SBB054317 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.69 CC1=CN=C(F)C(Br)=C1 SBB091032 [0,2,0,0,0,0|2,0,0]=4 935 B9R1.69 CC1=CN=C(F)C(I)=C1 SBB054399 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.69 CC1=CN=C(N)C(Br)=C1 SBB000261 [0,2,0,0,0,0|2,0,0]=4 937 B9R1.69 CC1=CN=C(N)C(Cl)=C1 SBB069949 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.69 CC1=CN=C(O)C(Br)=C1 SBB003679 [0,2,0,0,0,0|1,0,0]=3 939 B9R1.69 CC1=CN=C(O)C(N)=C1 SBB051872 [0,2,0,0,0,0|1,0,0]=3 940 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [0,2,0,0,0,0|2,0,0]=4 941 B9R1.69 CC1=NC(C)=C(N)C=C1 SBB013931 [0,2,0,0,0,0|2,0,0]=4 942 B9R1.69 CC1=NC(C)=C(O)C=C1 SBB013900 [0,2,0,0,0,0|1,0,0]=3 943 B9R1.69 CC1=NC(Cl)=C(N)C=C1 SBB004142 [0,2,0,0,0,0|2,0,0]=4 944 B9R1.69 CC1=NC(Cl)=CC=C1N SBB004141 [0,2,0,0,0,0|2,0,0]=4 945 B9R1.69 CC1=NC(N)=CC=C1Br SBB000260 [0,2,0,0,0,0|2,0,0]=4 946 B9R1.69 CC1=NC(N)=CC=C1I SBB013202 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.69 CC1=NC=C(Br)C=C1N SBB051825 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.69 ClC1=CC(Br)=C(Cl)C=C1 SBB085181 [0,2,0,0,0,0|1,0,0]=3 949 B9R1.69 ClC1=CC(Br)=CN=C1Br SBB054320 [0,2,0,0,0,0|2,0,0]=4 950 B9R1.69 ClC1=CC=C(Cl)C(Cl)=C1 SBB060225 [0,2,0,0,0,0|1,0,0]=3 951 B9R1.69 ClC1=CN=C(Br)C(Br)=C1 SBB054253 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.69 ClC1=CN=C(Br)C(Cl)=C1 SBB039005 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.69 ClC1=CN=C(Cl)C(Br)=C1 SBB054252 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 SBB001734 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.69 ClC1=NC=C(Br)C=C1Br SBB054262 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.69 FC1=C(Br)C=C(Br)C=C1 SBB101338 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.69 FC1=C(Br)C=C(Cl)C=C1 SBB094231 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.69 FC1=C(Br)C=CC(Br)=C1 SBB101337 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.69 FC1=C(Br)C=CC(Cl)=C1 SBB094234 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.69 FC1=C(Br)N=CC(Br)=C1 SBB101510 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.69 FC1=C(Cl)C=C(Br)C=C1 SBB094230 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.69 FC1=C(Cl)C=C(Cl)C=C1 SBB087865 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.69 FC1=C(Cl)C=C(I)C=C1 SBB101766 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.69 FC1=C(Cl)C=CC(Br)=C1 SBB094233 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.69 FC1=C(Cl)C=CC(Cl)=C1 SBB087863 [0,2,0,0,0,0|1,0,0]=3 966 B9R1.69 FC1=C(Cl)C=CC(I)=C1 SBB101767 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SBB086606 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.69 FC1=C(F)C=C(I)C=C1 SBB099185 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.69 FC1=C(F)C=C(S)C=C1 SBB086488 [0,2,0,0,0,0|0,1,0]=3 970 B9R1.69 FC1=C(I)C=C(Cl)C=C1 SBB101760 [0,2,0,0,0,0|1,0,0]=3 971 B9R1.69 FC1=C(I)C=CC(Cl)=C1 SBB101763 [0,2,0,0,0,0|1,0,0]=3 972 B9R1.69 FC1=CC(Br)=C(Br)C=C1 SBB101340 [0,2,0,0,0,0|1,0,0]=3 973 B9R1.69 FC1=CC(Br)=C(Cl)C=C1 SBB094232 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.69 FC1=CC(Br)=C(F)N=C1 SBB091660 [0,2,0,0,0,0|2,0,0]=4 975 B9R1.69 FC1=CC(Br)=CN=C1Cl SBB062897 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.69 FC1=CC(Br)=CN=C1F SBB091659 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.69 FC1=CC(Cl)=C(Br)C=C1 SBB094228 [0,2,0,0,0,0|1,0,0]=3 978 B9R1.69 FC1=CC(Cl)=C(Cl)C=C1 SBB087867 [0,2,0,0,0,0|1,0,0]=3 979 B9R1.69 FC1=CC(Cl)=C(F)C=C1 SBB086603 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.69 FC1=CC(Cl)=C(I)C=C1 SBB101765 [0,2,0,0,0,0|1,0,0]=3 981 B9R1.69 FC1=CC(Cl)=C(S)C=C1 SBB087657 [0,2,0,0,0,0|0,1,0]=3 982 B9R1.69 FC1=CC(Cl)=CN=C1Br SBB094381 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.69 FC1=CC(Cl)=CN=C1Cl SBB087953 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.69 FC1=CC(Cl)=CN=C1F SBB086666 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.69 FC1=CC(F)=C(Br)C=C1 SBB091522 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.69 FC1=CC(F)=C(Cl)C=C1 SBB086605 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.69 FC1=CC(F)=C(F)C=C1 SBB085803 [0,2,0,0,0,0|1,0,0]=3 988 B9R1.69 FC1=CC(F)=C(I)C=C1 SBB099182 [0,2,0,0,0,0|1,0,0]=3 989 B9R1.69 FC1=CC(I)=C(Cl)C=C1 SBB101761 [0,2,0,0,0,0|1,0,0]=3 990 B9R1.69 FC1=CC(I)=C(F)C=C1 SBB099181 [0,2,0,0,0,0|1,0,0]=3 991 B9R1.69 FC1=CC=C(Br)C=C1F SBB091521 [0,2,0,0,0,0|1,0,0]=3 992 B9R1.69 FC1=CC=C(F)C(Br)=C1 SBB091519 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.69 FC1=CC=C(F)C(F)=N1 SBB085830 [0,2,0,0,0,0|2,0,0]=4 994 B9R1.69 FC1=CC=C(S)C(F)=C1 SBB063928 [0,2,0,0,0,0|0,1,0]=3 995 B9R1.69 FC1=CC=C(S)C=C1Cl SBB087656 [0,2,0,0,0,0|0,1,0]=3 996 B9R1.69 FC1=CN=C(Br)C(Br)=C1 SBB101511 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.69 FC1=CN=C(Br)C(F)=C1 SBB091658 [0,2,0,0,0,0|2,0,0]=4 998 B9R1.69 FC1=CN=C(F)C(F)=C1 SBB085829 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.69 FC1=NC=C(Cl)C=C1Cl SBB087952 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.69 NC1=C(Br)C=C(Cl)C=C1 SBB019400 [0,2,0,0,0,0|1,0,0]=3 1001 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 SBB028420 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.69 NC1=C(Br)C=C(F)C=C1 SBB091028 [0,2,0,0,0,0|1,0,0]=3 1003 B9R1.69 NC1=C(Br)C=CC(Br)=C1 SBB071606 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.69 NC1=C(Br)C=CC(F)=C1 SBB091030 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 SBB058578 [0,2,0,0,0,0|1,0,0]=3 1006 B9R1.69 NC1=C(Cl)C=C(Cl)C=C1 SBB007569 [0,2,0,0,0,0|1,0,0]=3 1007 B9R1.69 NC1=C(Cl)C=C(Cl)C=N1 SBB003932 [0,2,0,0,0,0|2,0,0]=4 1008 B9R1.69 NC1=C(Cl)C=C(F)C=C1 SBB004110 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.69 NC1=C(Cl)C=C(O)C=C1 SBB003750 [0,2,0,0,0,0|0,0,0]=2 1010 B9R1.69 NC1=C(Cl)C=CC(F)=C1 SBB069992 [0,2,0,0,0,0|1,0,0]=3 1011 B9R1.69 NC1=C(Cl)N=C(Br)C=C1 SBB038997 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.69 NC1=C(F)C=C(Br)C=C1 SBB040465 [0,2,0,0,0,0|1,0,0]=3 1013 B9R1.69 NC1=C(F)C=C(Cl)C=C1 SBB004111 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.69 NC1=C(F)C=C(F)C=C1 SBB028235 [0,2,0,0,0,0|1,0,0]=3 1015 B9R1.69 NC1=C(F)C=C(I)C=C1 SBB098703 [0,2,0,0,0,0|1,0,0]=3 1016 B9R1.69 NC1=C(F)C=CC(Br)=C1 SBB091033 [0,2,0,0,0,0|1,0,0]=3 1017 B9R1.69 NC1=C(I)C=C(Cl)C=C1 SBB059066 [0,2,0,0,0,0|1,0,0]=3 1018 B9R1.69 NC1=C(I)C=C(Cl)C=N1 SBB101451 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.69 NC1=C(I)C=C(F)C=C1 SBB098705 [0,2,0,0,0,0|1,0,0]=3 1020 B9R1.69 NC1=C(I)C=CC(F)=C1 SBB098704 [0,2,0,0,0,0|1,0,0]=3 1021 B9R1.69 NC1=C(I)C=NC(Cl)=C1 SBB101453 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.69 NC1=C(N)C=C(Br)C=C1 SBB048112 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.69 NC1=C(N)C=C(Cl)C=C1 SBB008908 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.69 NC1=C(N)C=C(Cl)N=C1 SBB069959 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.69 NC1=C(N)C=C(Cl)N=C1 SBB070249 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.69 NC1=C(N)C=C(F)C=C1 SBB028223 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.69 NC1=C(O)C=CC(Cl)=C1 SBB007588 [0,2,0,0,0,0|0,0,0]=2 1028 B9R1.69 NC1=CC(Br)=C(F)C=C1 SBB013145 [0,2,0,0,0,0|1,0,0]=3 1029 B9R1.69 NC1=CC(Br)=CC=C1Cl SBB093731 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.69 NC1=CC(Br)=CC=C1O SBB002114 [0,2,0,0,0,0|0,0,0]=2 1031 B9R1.69 NC1=CC(Br)=CN=C1Cl SBB051893 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.69 NC1=CC(Br)=CN=C1N SBB038040 [0,2,0,0,0,0|2,0,0]=4 1033 B9R1.69 NC1=CC(Cl)=C(C)C=C1 SBB004152 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.69 NC1=CC(Cl)=C(I)C=C1 SBB101283 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.69 NC1=CC(Cl)=C(O)C=C1 SBB004136 [0,2,0,0,0,0|0,0,0]=2 1036 B9R1.69 NC1=CC(Cl)=CC=C1Cl SBB040443 [0,2,0,0,0,0|1,0,0]=3 1037 B9R1.69 NC1=CC(Cl)=CC=C1F SBB086439 [0,2,0,0,0,0|1,0,0]=3 1038 B9R1.69 NC1=CC(Cl)=CC=C1S SBB066509 [0,2,0,0,0,0|0,1,0]=3 1039 B9R1.69 NC1=CC(Cl)=CN=C1Br SBB051899 [0,2,0,0,0,0|2,0,0]=4 1040 B9R1.69 NC1=CC(Cl)=CN=C1Cl SBB005503 [0,2,0,0,0,0|2,0,0]=4 1041 B9R1.69 NC1=CC(Cl)=CN=C1N SBB004135 [0,2,0,0,0,0|2,0,0]=4 1042 B9R1.69 NC1=CC(F)=C(Br)C=C1 SBB051695 [0,2,0,0,0,0|1,0,0]=3 1043 B9R1.69 NC1=CC(F)=C(O)C=C1 SBB028226 [0,2,0,0,0,0|0,0,0]=2 1044 B9R1.69 NC1=CC(F)=CC=C1F SBB069847 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.69 NC1=CC(F)=CC=C1O SBB069835 [0,2,0,0,0,0|0,0,0]=2 1046 B9R1.69 NC1=CC(F)=CN=C1Br SBB051843 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.69 NC1=CC(I)=C(O)C=C1 SBB071708 [0,2,0,0,0,0|0,0,0]=2 1048 B9R1.69 NC1=CC(N)=C(N)C=C1 SBB002733 [0,2,0,0,0,0|1,0,0]=3 1049 B9R1.69 NC1=CC(N)=C(N)C=C1 SBB016925 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.69 NC1=CC=C(Br)C(N)=N1 SBB016184 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.69 NC1=CC=C(Br)C=C1O SBB051770 [0,2,0,0,0,0|0,0,0]=2 1052 B9R1.69 NC1=CC=C(C)C=C1F SBB006650 [0,2,0,0,0,0|1,0,0]=3 1053 B9R1.69 NC1=CC=C(Cl)C(Cl)=C1 SBB040495 [0,2,0,0,0,0|1,0,0]=3 1054 B9R1.69 NC1=CC=C(Cl)C(F)=C1 SBB069989 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.69 NC1=CC=C(Cl)N=C1Cl SBB005502 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.69 NC1=CC=C(F)C(Cl)=C1 SBB040458 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.69 NC1=CC=C(F)C(F)=C1 SBB007915 [0,2,0,0,0,0|1,0,0]=3 1058 B9R1.69 NC1=CC=C(F)C(N)=C1 SBB069829 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.69 NC1=CC=C(F)C=C1O SBB055384 [0,2,0,0,0,0|0,0,0]=2 1060 B9R1.69 NC1=CC=C(I)C(F)=C1 SBB070632 [0,2,0,0,0,0|1,0,0]=3 1061 B9R1.69 NC1=CC=C(N)C(Cl)=C1 SBB059214 [0,2,0,0,0,0|1,0,0]=3 1062 B9R1.69 NC1=CC=C(O)C=C1F SBB028225 [0,2,0,0,0,0|0,0,0]=2 1063 B9R1.69 NC1=CN=C(N)C(Br)=C1 SBB116885 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.69 NC1=NC(N)=C(N)C=C1 SBB018571 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.69 NC1=NC(O)=NC=C1I SBB098698 [0,2,0,0,0,0|2,0,0]=4 1066 B9R1.69 NC1=NC=C(Br)C=C1Br SBB000910 [0,2,0,0,0,0|2,0,0]=4 1067 B9R1.69 NC1=NC=C(Br)C=C1Cl SBB054303 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.69 NC1=NC=C(Cl)C=C1F SBB070002 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.69 NC1=NC=C(F)C=C1F SBB069849 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.69 O=C1NC=C(Cl)C=C1O SBB004115 [0,2,0,0,0,0|1,0,0]=3 1071 B9R1.69 OC1=C(Br)C=C(Br)C=C1 SBB058506 [0,2,0,0,0,0|0,0,0]=2 1072 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 SBB079034 [0,2,0,0,0,0|0,0,0]=2 1073 B9R1.69 OC1=C(Br)C=C(F)C=C1 SBB091219 [0,2,0,0,0,0|0,0,0]=2 1074 B9R1.69 OC1=C(Br)C=CC(F)=C1 SBB091224 [0,2,0,0,0,0|0,0,0]=2 1075 B9R1.69 OC1=C(Cl)C=C(Cl)C=C1 SBB058675 [0,2,0,0,0,0|0,0,0]=2 1076 B9R1.69 OC1=C(Cl)C=C(F)C=C1 SBB086515 [0,2,0,0,0,0|0,0,0]=2 1077 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 SBB061453 [0,2,0,0,0,0|0,0,0]=2 1078 B9R1.69 OC1=C(Cl)C=CC(F)=C1 SBB086520 [0,2,0,0,0,0|0,0,0]=2 1079 B9R1.69 OC1=C(F)C=C(Br)C=C1 SBB091221 [0,2,0,0,0,0|0,0,0]=2 1080 B9R1.69 OC1=C(F)C=C(Cl)C=C1 SBB086517 [0,2,0,0,0,0|0,0,0]=2 1081 B9R1.69 OC1=C(F)C=C(F)C=C1 SBB085754 [0,2,0,0,0,0|0,0,0]=2 1082 B9R1.69 OC1=C(F)C=CC(F)=C1 SBB085755 [0,2,0,0,0,0|0,0,0]=2 1083 B9R1.69 OC1=CC(Br)=CC=C1Cl SBB093919 [0,2,0,0,0,0|0,0,0]=2 1084 B9R1.69 OC1=CC(F)=C(Br)C=C1 SBB091225 [0,2,0,0,0,0|0,0,0]=2 1085 B9R1.69 OC1=CC(F)=C(F)C=C1 SBB085753 [0,2,0,0,0,0|0,0,0]=2 1086 B9R1.69 OC1=CC=C(Br)C(O)=C1 SBB059604 [0,2,0,0,0,0|0,0,0]=2 1087 B9R1.69 OC1=CC=C(Br)C=C1Cl SBB079995 [0,2,0,0,0,0|0,0,0]=2 1088 B9R1.69 OC1=CC=C(Cl)C(Cl)=C1 SBB058866 [0,2,0,0,0,0|0,0,0]=2 1089 B9R1.69 OC1=CC=C(Cl)C(F)=C1 SBB086512 [0,2,0,0,0,0|0,0,0]=2 1090 B9R1.69 OC1=CC=C(Cl)C(O)=C1 SBB061264 [0,2,0,0,0,0|0,0,0]=2 1091 B9R1.69 OC1=CC=C(Cl)C=C1I SBB054173 [0,2,0,0,0,0|0,0,0]=2 1092 B9R1.69 OC1=CC=C(F)C(Cl)=C1 SBB086516 [0,2,0,0,0,0|0,0,0]=2 1093 B9R1.69 OC1=CC=C(F)C(O)=C1 SBB085710 [0,2,0,0,0,0|0,0,0]=2 1094 B9R1.69 OC1=NC(O)=C(O)C=N1 SBB059277 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.69 OC1=NC=C(Br)C=C1Br SBB039012 [0,2,0,0,0,0|1,0,0]=3 1096 B9R1.69 OC1=NC=C(Cl)C=C1Cl SBB039011 [0,2,0,0,0,0|1,0,0]=3 1097 B9R1.69 SC1=CC(Cl)=C(Cl)C=C1 SBB058938 [0,2,0,0,0,0|0,1,0]=3 1098 B9R1.69 SC1=CC(Cl)=CC=C1Cl SBB066528 [0,2,0,0,0,0|0,1,0]=3 1099 B9R1.69 SC1=CC=C(Cl)C=C1Cl SBB066508 [0,2,0,0,0,0|0,1,0]=3 1100 B9R1.69 [NH3+]C1=C(C)C=C(C)N=C1 SBB055666 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.3 CC1=C(Br)C(F)=CC=C1 SBB090874 [0,2,0,0,0,0|1,0,0]=3 1102 B9R1.3 CC1=C(Br)C(O)=CC=C1 SBB054201 [0,2,0,0,0,0|0,0,0]=2 1103 B9R1.3 CC1=C(Br)C=CC=C1F SBB090875 [0,2,0,0,0,0|1,0,0]=3 1104 B9R1.3 CC1=C(Br)C=NC=C1Br SBB100853 [0,2,0,0,0,0|2,0,0]=4 1105 B9R1.3 CC1=C(Cl)C=CC=C1Cl SBB061469 [0,2,0,0,0,0|1,0,0]=3 1106 B9R1.3 CC1=C(Cl)C=CC=C1F SBB086378 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.3 CC1=C(Cl)C=CC=C1N SBB007550 [0,2,0,0,0,0|1,0,0]=3 1108 B9R1.3 CC1=C(F)C(Br)=CC=C1 SBB090878 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.3 CC1=C(F)C(F)=CC=C1 SBB085713 [0,2,0,0,0,0|1,0,0]=3 1110 B9R1.3 CC1=C(F)C(N)=CC=C1 SBB069825 [0,2,0,0,0,0|1,0,0]=3 1111 B9R1.3 CC1=C(F)C(O)=CC=C1 SBB085646 [0,2,0,0,0,0|0,0,0]=2 1112 B9R1.3 CC1=C(F)C=CC=C1F SBB085711 [0,2,0,0,0,0|1,0,0]=3 1113 B9R1.3 CC1=C(F)C=CC=C1N SBB028216 [0,2,0,0,0,0|1,0,0]=3 1114 B9R1.3 CC1=C(I)C=CC=C1Cl SBB101150 [0,2,0,0,0,0|1,0,0]=3 1115 B9R1.3 CC1=C(N)C(Br)=NC=C1 SBB051805 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.3 CC1=C(N)C(Cl)=CC=C1 SBB004153 [0,2,0,0,0,0|1,0,0]=3 1117 B9R1.3 CC1=C(N)C(Cl)=NC=C1 SBB010194 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.3 CC1=C(N)C(F)=CC=C1 SBB069823 [0,2,0,0,0,0|1,0,0]=3 1119 B9R1.3 CC1=C(N)C(N)=CC=C1 SBB051691 [0,2,0,0,0,0|1,0,0]=3 1120 B9R1.3 CC1=C(N)C=CC=C1N SBB060918 [0,2,0,0,0,0|1,0,0]=3 1121 B9R1.3 CC1=C(N)C=CC=C1N SBB061338 [0,2,0,0,0,0|1,0,0]=3 1122 B9R1.3 CC1=C(O)C(=O)C=CO1 SBB055954 [0,2,0,0,0,0|1,0,0]=3 1123 B9R1.3 CC1=C(O)C(O)=CC=C1 SBB055151 [0,2,0,0,0,0|0,0,0]=2 1124 B9R1.3 CC1=C(O)C=CC=C1O SBB056752 [0,2,0,0,0,0|0,0,0]=2 1125 B9R1.3 CC1=CC=CC(C)=C1C SBB061131 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.3 CC1=CC=CC(C)=C1F SBB085567 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.3 CC1=CC=CC(C)=C1I SBB097862 [0,2,0,0,0,0|1,0,0]=3 1128 B9R1.3 CC1=CC=CC(C)=C1N SBB008136 [0,2,0,0,0,0|1,0,0]=3 1129 B9R1.3 CC1=CC=CC(C)=C1O SBB060658 [0,2,0,0,0,0|0,0,0]=2 1130 B9R1.3 CC1=CC=CC(Cl)=C1Cl SBB061475 [0,2,0,0,0,0|1,0,0]=3 1131 B9R1.3 CC1=CC=CC(Cl)=C1F SBB086373 [0,2,0,0,0,0|1,0,0]=3 1132 B9R1.3 CC1=CC=CC(Cl)=C1I SBB101149 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.3 CC1=CC=CC(F)=C1C SBB085561 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.3 CC1=CC=CC(N)=C1C SBB040449 [0,2,0,0,0,0|1,0,0]=3 1135 B9R1.3 CC1=CC=CC(O)=C1C SBB060656 [0,2,0,0,0,0|0,0,0]=2 1136 B9R1.3 CC1=CC=CC(O)=C1N SBB069796 [0,2,0,0,0,0|0,0,0]=2 1137 B9R1.3 CC1=CN=CC(C)=C1N SBB069790 [0,2,0,0,0,0|2,0,0]=4 1138 B9R1.3 CC1=NC=CC(C)=C1N SBB051855 [0,2,0,0,0,0|2,0,0]=4 1139 B9R1.3 CC1=NC=CC(C)=C1O SBB055655 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.3 ClC1=CC=CC(Cl)=C1Cl SBB057512 [0,2,0,0,0,0|1,0,0]=3 1141 B9R1.3 FC1=C(Cl)C(Cl)=CC=C1 SBB087864 [0,2,0,0,0,0|1,0,0]=3 1142 B9R1.3 FC1=C(Cl)C=CC=C1Cl SBB087868 [0,2,0,0,0,0|1,0,0]=3 1143 B9R1.3 FC1=C(F)C(Br)=CC=C1 SBB091520 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.3 FC1=C(I)C=CC=C1Cl SBB101762 [0,2,0,0,0,0|1,0,0]=3 1145 B9R1.3 FC1=CC=CC(Cl)=C1F SBB086602 [0,2,0,0,0,0|1,0,0]=3 1146 B9R1.3 FC1=CC=CC(F)=C1Br SBB091517 [0,2,0,0,0,0|1,0,0]=3 1147 B9R1.3 FC1=CC=CC(F)=C1F SBB085804 [0,2,0,0,0,0|1,0,0]=3 1148 B9R1.3 NC1=C(Br)C(Cl)=NC=C1 SBB070446 [0,2,0,0,0,0|2,0,0]=4 1149 B9R1.3 NC1=C(Br)C=CC=C1Br SBB100852 [0,2,0,0,0,0|1,0,0]=3 1150 B9R1.3 NC1=C(Br)C=CC=C1Cl SBB062739 [0,2,0,0,0,0|1,0,0]=3 1151 B9R1.3 NC1=C(Br)C=CC=C1F SBB091034 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.3 NC1=C(Cl)C=CC=C1Cl SBB058727 [0,2,0,0,0,0|1,0,0]=3 1153 B9R1.3 NC1=C(Cl)C=CC=C1F SBB004109 [0,2,0,0,0,0|1,0,0]=3 1154 B9R1.3 NC1=C(Cl)C=NC=C1Cl SBB016175 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.3 NC1=C(Cl)N=CN=C1O SBB010308 [0,2,0,0,0,0|2,0,0]=4 1156 B9R1.3 NC1=C(F)C(Cl)=CC=C1 SBB004108 [0,2,0,0,0,0|1,0,0]=3 1157 B9R1.3 NC1=C(F)C(F)=CC=C1 SBB006565 [0,2,0,0,0,0|1,0,0]=3 1158 B9R1.3 NC1=C(F)C=CC=C1F SBB028233 [0,2,0,0,0,0|1,0,0]=3 1159 B9R1.3 NC1=CC=CC(Cl)=C1Cl SBB073003 [0,2,0,0,0,0|1,0,0]=3 1160 B9R1.3 NC1=CC=CC(Cl)=C1N SBB074255 [0,2,0,0,0,0|1,0,0]=3 1161 B9R1.3 NC1=CC=CC(Cl)=C1O SBB010298 [0,2,0,0,0,0|0,0,0]=2 1162 B9R1.3 NC1=CC=CC(N)=C1N SBB002624 [0,2,0,0,0,0|1,0,0]=3 1163 B9R1.3 NC1=CC=NC(Cl)=C1I SBB101452 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.3 NC1=CC=NC(Cl)=C1N SBB079600 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.3 O=C1C(Cl)=CNC=C1Cl SBB058007 [0,2,0,0,0,0|1,0,1]=4 1166 B9R1.3 OC1=C(Br)C=CC=C1Br SBB101028 [0,2,0,0,0,0|0,0,0]=2 1167 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 SBB058909 [0,2,0,0,0,0|0,0,0]=2 1168 B9R1.3 OC1=C(Cl)C=CC=C1Cl SBB058908 [0,2,0,0,0,0|0,0,0]=2 1169 B9R1.3 OC1=C(F)C=CC=C1Cl SBB086513 [0,2,0,0,0,0|0,0,0]=2 1170 B9R1.3 OC1=C(F)C=CC=C1F SBB085757 [0,2,0,0,0,0|0,0,0]=2 1171 B9R1.3 OC1=C(O)C(F)=CC=C1 SBB085709 [0,2,0,0,0,0|0,0,0]=2 1172 B9R1.3 OC1=CC=CC(Cl)=C1F SBB086514 [0,2,0,0,0,0|0,0,0]=2 1173 B9R1.3 OC1=CC=CC(F)=C1F SBB055053 [0,2,0,0,0,0|0,0,0]=2 1174 B9R1.3 OC1=CC=CC(O)=C1O SBB060422 [0,2,0,0,0,0|0,0,0]=2 1175 B9R1.3 OC1=NC=NC(N)=C1N SBB004251 [0,2,0,0,0,0|2,0,0]=4 1176 B9R1.3 SC1=C(Cl)C(Cl)=CC=C1 SBB089507 [0,2,0,0,0,0|0,1,0]=3 1177 B9R1.3 SC1=C(Cl)C=CC=C1Cl SBB058802 [0,2,0,0,0,0|0,1,0]=3 1178 B9R1.3 [O-][N+]1=C(Cl)C=CC=C1Cl SBB087742 [0,2,0,0,0,0|1,0,1]=4 1179 B9R1.3 [O-][N+]1=CC=CC(F)=C1Cl SBB013902 [0,2,0,0,0,0|1,0,1]=4 1180 B9R1.34 BrC1=CC(Br)=CC(Br)=C1 SBB062904 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.34 CC1=CC(=O)C=C(C)O1 SBB056217 [0,2,0,0,0,0|1,0,1]=4 1182 B9R1.34 CC1=CC(=O)OC(C)=C1 SBB059425 [0,2,0,0,0,0|1,0,1]=4 1183 B9R1.34 CC1=CC(Br)=CC(C)=N1 SBB090349 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.34 CC1=CC(Br)=CC(F)=C1 SBB090879 [0,2,0,0,0,0|1,0,0]=3 1185 B9R1.34 CC1=CC(C)=CC(C)=C1 SBB060395 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.34 CC1=CC(C)=CC(F)=C1 SBB085566 [0,2,0,0,0,0|1,0,0]=3 1187 B9R1.34 CC1=CC(C)=CC(N)=C1 SBB040456 [0,2,0,0,0,0|1,0,0]=3 1188 B9R1.34 CC1=CC(C)=CC(O)=C1 SBB060659 [0,2,0,0,0,0|0,0,0]=2 1189 B9R1.34 CC1=CC(C)=CC(S)=C1 SBB086033 [0,2,0,0,0,0|0,1,0]=3 1190 B9R1.34 CC1=CC(C)=NC(C)=C1 SBB060376 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.34 CC1=CC(Cl)=CC(F)=C1 SBB086374 [0,2,0,0,0,0|1,0,0]=3 1192 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 SBB087557 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.34 CC1=CC(F)=CC(F)=C1 SBB085712 [0,2,0,0,0,0|1,0,0]=3 1194 B9R1.34 CC1=CC(F)=CC(N)=C1 SBB069824 [0,2,0,0,0,0|1,0,0]=3 1195 B9R1.34 CC1=CC(F)=CC(O)=C1 SBB085643 [0,2,0,0,0,0|0,0,0]=2 1196 B9R1.34 CC1=CC(N)=NC(C)=C1 SBB051876 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.34 CC1=CC(O)=CC(=O)O1 SBB001910 [0,2,0,0,0,0|1,0,0]=3 1198 B9R1.34 CC1=CC(O)=CC(O)=C1 SBB006928 [0,2,0,0,0,0|0,0,0]=2 1199 B9R1.34 CC1=CC(O)=NC(N)=N1 SBB028210 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.34 CC1=NC(C)=NC(O)=C1 SBB072394 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.34 CC1=NC(Cl)=CC(Cl)=C1 SBB087555 [0,2,0,0,0,0|2,0,0]=4 1202 B9R1.34 CC1=NC(Cl)=CC(O)=N1 SBB086367 [0,2,0,0,0,0|2,0,0]=4 1203 B9R1.34 CC1=NC(O)=CC(N)=N1 SBB039513 [0,2,0,0,0,0|2,0,0]=4 1204 B9R1.34 CC1=NC(O)=CC(O)=N1 SBB081940 [0,2,0,0,0,0|2,0,0]=4 1205 B9R1.34 FC1=CC(Br)=CC(Br)=C1 SBB101336 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.34 FC1=CC(Br)=CC(Cl)=C1 SBB094227 [0,2,0,0,0,0|1,0,0]=3 1207 B9R1.34 FC1=CC(Cl)=CC(Cl)=C1 SBB087866 [0,2,0,0,0,0|1,0,0]=3 1208 B9R1.34 FC1=CC(F)=CC(Br)=C1 SBB091518 [0,2,0,0,0,0|1,0,0]=3 1209 B9R1.34 FC1=CC(F)=CC(Cl)=C1 SBB086604 [0,2,0,0,0,0|1,0,0]=3 1210 B9R1.34 FC1=CC(F)=CC(F)=C1 SBB085805 [0,2,0,0,0,0|1,0,0]=3 1211 B9R1.34 FC1=CC(F)=CC(I)=C1 SBB099184 [0,2,0,0,0,0|1,0,0]=3 1212 B9R1.34 FC1=CC(F)=NC(F)=C1 SBB085831 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.34 NC1=CC(Br)=CC(Br)=C1 SBB007587 [0,2,0,0,0,0|1,0,0]=3 1214 B9R1.34 NC1=CC(Br)=NC(Br)=C1 SBB101029 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.34 NC1=CC(Cl)=CC(Cl)=C1 SBB008349 [0,2,0,0,0,0|1,0,0]=3 1216 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 SBB017599 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.34 NC1=CC(F)=CC(Cl)=C1 SBB069991 [0,2,0,0,0,0|1,0,0]=3 1218 B9R1.34 NC1=CC(F)=CC(F)=C1 SBB028234 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.34 NC1=CC(N)=CC(N)=C1 SBB000049 [0,2,0,0,0,0|1,0,0]=3 1220 B9R1.34 NC1=CC(O)=NC(N)=N1 SBB004252 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.34 NC1=CC(O)=NC(S)=N1 SBB056909 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.34 NC1=NC(Cl)=CC(Cl)=C1 SBB051815 [0,2,0,0,0,0|2,0,0]=4 1223 B9R1.34 NC1=NC(Cl)=CC(O)=N1 SBB004114 [0,2,0,0,0,0|2,0,0]=4 1224 B9R1.34 NC1=NC(O)=CC(=O)N1 SBB004246 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.34 NC1=NC(O)=NC(O)=C1 SBB000054 [0,2,0,0,0,0|2,0,0]=4 1226 B9R1.34 OC1=CC(C)=NC(O)=N1 SBB004256 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.34 OC1=CC(C)=NC(S)=N1 SBB004144 [0,2,0,0,0,0|2,0,0]=4 1228 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 SBB058910 [0,2,0,0,0,0|0,0,0]=2 1229 B9R1.34 OC1=CC(F)=CC(Cl)=C1 SBB086519 [0,2,0,0,0,0|0,0,0]=2 1230 B9R1.34 OC1=CC(F)=CC(F)=C1 SBB085756 [0,2,0,0,0,0|0,0,0]=2 1231 B9R1.34 OC1=CC(O)=CC(O)=C1 SBB060423 [0,2,0,0,0,0|0,0,0]=2 1232 B9R1.34 OC1=CC(O)=NC(N)=N1 SBB004247 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.34 OC1=CC(O)=NC(S)=N1 SBB004132 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.34 OC1=NC(C)=CC(C)=N1 SBB004271 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.34 OC1=NC(S)=NC(N)=C1 SBB004138 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.34 SC1=CC(Cl)=CC(Cl)=C1 SBB058939 [0,2,0,0,0,0|0,1,0]=3 1237 B9R1.34 [O-][N+]1=CC(Br)=CC(Br)=C1 SBB101185 [0,2,0,0,0,0|1,0,1]=4 1238 B7R1.24 C1=CC=CCC=C1 SBB061185 [0,0,1,1,0,0|1,0,0]=3 1239 B5R1.1 C1=CNC=N1 SBB040815 [1,0,0,0,1,0|2,0,0]=4 1240 B5R1.1 C1=CNN=C1 SBB059844 [1,0,0,0,1,0|2,0,0]=4 1241 B5R1.1 C1=COC=N1 SBB061419 [1,0,0,0,1,0|2,0,0]=4 1242 B5R1.1 C1=CSN=C1 SBB012883 [1,0,0,0,1,0|2,0,0]=4