0 B11R2.1 BrC1=NNC2=C1C=NC=C2 AM11789 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=NNC2=CC=CN=C21 AM11788 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=NNC2=NC=CC=C12 AM11790 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 CC1=NNC2=CC=CN=C21 AM11828 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 ClC1=NNC2=NC=CC=C12 AM11798 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 IC1=NNC2=NC=CC=C12 AM11794 [0,0,0,0,0,0|4,0,0]=4 6 B10R2.7 C1=CC2=NC=CN2C=C1 AM11699 [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 C1=CN=C2NC=CC2=C1 AM11060 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 O=NC(=O)C1=CN=CC=C1 AM10407 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.20 OCC1=CC=CN=C1CO AM11007 [0,0,1,0,0,0|1,0,2]=4 10 B10R1.61 CC(=O)C1=CC=CN=C1Br AM11441 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.61 CC(=O)C1=CC=CN=C1Cl AM11099 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.61 CC(=O)C1=CC=CN=C1F AM11100 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.61 CC(=O)C1=CC=CN=C1N AM10829 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.61 CC(=O)C1=CC=CN=C1O AM11549 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.61 CC(=O)C1=NC=CC=C1C AM11703 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.61 CC(=O)C1=NC=CC=C1Cl AM10816 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.61 CC(=O)C1=NC=CC=C1F AM10200 [0,0,1,0,0,0|3,0,0]=4 18 B10R1.61 CC(=O)C1=NC=CC=C1N AM11508 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.61 CC(=O)C1=NC=CC=C1O AM10817 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.61 CC1=C(C(=O)O)C=CN=C1 AM11181 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.61 CC1=C(C(N)=O)C=CN=C1 AM11180 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 AM10709 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 AM11250 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.61 CC1=CC=CN=C1C(=O)O AM11182 [0,0,1,0,0,0|1,0,0]=2 25 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] AM10707 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.61 CC1=CC=NC=C1C(=O)O AM10381 [0,0,1,0,0,0|1,0,0]=2 27 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] AM10708 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.61 NC(=O)C1=NC=CC=C1N AM11515 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.61 NC1=C(C(=O)O)C=CC=N1 AM10826 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.61 NC1=C(C(=O)O)C=CN=C1 AM11102 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.61 NC1=CC=CN=C1C(=O)O AM10965 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.61 NC1=CC=NC=C1C(=O)O AM11204 [0,0,1,0,0,0|2,0,0]=3 33 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 AM10767 [0,0,1,0,0,0|2,0,0]=3 34 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 AM10878 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 AM11439 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 AM10165 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.61 O=C(O)C1=C(F)C=NC=C1 AM10082 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.61 O=C(O)C1=C(F)N=CC=C1 AM10188 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.61 O=C(O)C1=C(I)C=NC=C1 AM10929 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.61 O=C(O)C1=CN=CC=C1Cl AM10093 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.61 O=C(O)C1=CN=CC=C1I AM11236 [0,0,1,0,0,0|2,0,0]=3 42 B10R1.61 O=C(O)C1=CN=CC=C1O AM11232 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.61 O=C(O)C1=NC=CC=C1Br AM10185 [0,0,1,0,0,0|2,0,0]=3 44 B10R1.61 O=C(O)C1=NC=CC=C1Cl AM11160 [0,0,1,0,0,0|2,0,0]=3 45 B10R1.61 O=C(O)C1=NC=CC=C1F AM10260 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.61 O=C(O)C1=NC=CC=C1I AM10930 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.61 O=C(O)c1cccnc1O AM10441 [0,0,1,0,0,0|2,0,0]=3 48 B9R1.6 CC(=O)C1=CC=CN=C1 AM10949 [1,0,1,0,0,0|1,0,0]=3 49 B9R1.6 CC(=O)C1=CC=NC=C1 AM10950 [1,0,1,0,0,0|1,0,0]=3 50 B9R1.6 CC(=O)C1=NC=CC=C1 AM10450 [1,0,1,0,0,0|1,0,0]=3 51 B9R1.6 O=C(Cl)C1=CN=CC=C1 AM10464 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.6 O=C(O)C1=CC=CN=C1 AM11050 [1,0,1,0,0,0|1,0,0]=3 53 B9R1.6 O=C(O)C1=NC=CC=C1 AM11049 [1,0,1,0,0,0|1,0,0]=3 54 B9R1.15 O=CC1=C(Br)C=NC=C1 AM10977 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.15 OCC1=CC=CN=C1Cl AM10457 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.15 OCc1ncccc1O AM10762 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.16 CCOC(=O)C1=CC=NC=C1 AM11023 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 AM11488 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 AM10066 [0,1,1,0,0,0|1,0,0]=3 60 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 AM11430 [0,1,1,0,0,0|1,0,0]=3 61 B11R1.22 COC(=O)C1=CN=C(I)C=C1 AM11471 [0,1,1,0,0,0|1,0,0]=3 62 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AM11427 [0,1,1,0,0,0|1,0,0]=3 63 B11R1.22 COC(=O)C1=CN=C(O)C=C1 AM11431 [0,1,1,0,0,0|1,0,0]=3 64 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 AM10311 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AM11583 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 AM10452 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AM10076 [0,1,1,0,0,0|1,0,0]=3 68 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 AM11608 [0,1,1,0,0,0|1,0,0]=3 69 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 AM11403 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.23 COC(=O)C1=CC(N)=NC=C1 AM10842 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 AM10383 [0,1,1,0,0,0|1,0,0]=3 72 B11R1.23 COC(=O)C1=CN=CC(O)=C1 AM11424 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 AM11429 [0,1,1,0,0,0|1,0,0]=3 74 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 AM11370 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.23 COC(=O)C1=NC(N)=CC=C1 AM11428 [0,1,1,0,0,0|1,0,0]=3 76 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 AM11411 [0,1,1,0,0,0|1,0,0]=3 77 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AM11227 [0,1,1,0,0,0|1,0,0]=3 78 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AM11413 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.23 COC(=O)C1=NC=CC(I)=C1 AM11414 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.23 COC(=O)C1=NC=CC(N)=C1 AM11582 [0,1,1,0,0,0|1,0,0]=3 81 B11R1.23 COC(=O)c1cccc(I)n1 AM10563 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 AM11771 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 AM11032 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.222 COC(=O)C1=C(I)N=CC=C1 AM11405 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AM11127 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.222 COC(=O)C1=CC=CN=C1Cl AM11034 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.222 COC(=O)C1=CC=CN=C1O AM11589 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.222 COC(=O)C1=CN=CC=C1Cl AM11412 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.222 COC(=O)C1=NC=CC=C1Br AM11031 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.222 COC(=O)C1=NC=CC=C1Cl AM11409 [0,1,1,0,0,0|1,0,0]=3 91 B11R1.222 COC(=O)C1=NC=CC=C1N AM11599 [0,1,1,0,0,0|1,0,0]=3 92 B11R1.87 CC1=C(S(=O)(=O)O)C=CN=C1 AM11481 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.87 CC1=C(S(=O)(=O)O)C=NC=C1 AM11253 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.87 CC1=CC=CN=C1S(=O)(=O)O AM11183 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.156 O=C(O)C1=C(Br)C=NC=C1O AM11735 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Cl AM10793 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1O AM11736 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1I AM11619 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 AM11757 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 AM11483 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.159 O=C(O)C1=C(F)C(I)=NC=C1 AM11167 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.159 O=C(O)C1=C(I)C(Br)=CN=C1 AM11620 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.159 O=C(O)C1=C(I)C(Br)=NC=C1 AM10884 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl AM11547 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 AM11752 [0,1,1,0,0,0|0,0,0]=2 106 B11R1.166 CC1=C(C(=O)O)C=CC(N)=N1 AM11356 [0,1,1,0,0,0|1,0,0]=3 107 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O AM11550 [0,1,1,0,0,0|1,0,0]=3 108 B11R1.166 CC1=CC(F)=NC=C1C(=O)O AM10482 [0,1,1,0,0,0|1,0,0]=3 109 B11R1.166 CC1=CC(N)=NC=C1C(=O)O AM10531 [0,1,1,0,0,0|1,0,0]=3 110 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 AM10519 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 AM10385 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O AM11576 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 AM11480 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 AM10154 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br AM11094 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AM11445 [0,1,1,0,0,0|2,0,0]=4 117 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AM11444 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl AM11096 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 AM10376 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.167 CC1=NC=C(I)C=C1C(=O)O AM11621 [0,1,1,0,0,0|1,0,0]=3 121 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 AM11456 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 AM10532 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.167 NC1=CC=C(Br)C(C(=O)O)=N1 AM11357 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O AM11772 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O AM11526 [0,1,1,0,0,0|2,0,0]=4 126 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 AM11452 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O AM11262 [0,1,1,0,0,0|2,0,0]=4 128 B11R1.167 NC1=CN=C(F)C=C1C(=O)O AM11727 [0,1,1,0,0,0|2,0,0]=4 129 B11R1.167 NC1=NC=C(Br)C(C(=O)O)=C1 AM10843 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 AM11271 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 AM10920 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 AM11278 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.167 O=C(O)C1=C(O)N=CC(Cl)=C1 AM11314 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.167 O=C(O)C1=C(O)N=CC(I)=C1 AM11077 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br AM11501 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl AM11759 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F AM10896 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F AM11312 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Br AM11270 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl AM10460 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.167 O=C(O)C1=CC(O)=NC=C1Br AM11277 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br AM11682 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br AM11148 [0,1,1,0,0,0|2,0,0]=4 144 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl AM10454 [0,1,1,0,0,0|2,0,0]=4