0 B13R2.1613 BrCC1=NC=CC2=C1C=CC=C2 SY033004 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1613 C#CC1=C2C=CC=CC2=CC=C1 SY058294 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 C(=O)C1=CN=CC2=C1C=CC=C2 SY003094 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1613 C=CC1=C2C=CC=CC2=CC=C1 SY013144 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 SY051576 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 CNC1=C2C=CC=CC2=CC=C1 SY042924 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1613 CNC1=C2C=CC=NC2=CC=C1 SY146804 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.1613 CNC1=NC=CC2=C1C=CC=C2 SY244522 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.1613 COC1=CN=CC2=C1C=CC=C2 SY041611 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.1613 N#CC1=NC=CC2=C1C=CC=C2 SY034107 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 SY011422 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 SY032092 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.1613 NCC1=NC=CC2=C1C=CC=C2 SY035455 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.1613 NNC1=C2C=CC=CC2=CC=C1 SY025959 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 SY038179 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.1613 NNC1CCCC2=C1C=CC=C2 SY265142 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.1613 NOC1=C2C=CC=CC2=CC=C1 SY282118 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.1613 NOC1=C2C=CC=CC2=CC=C1 SY282119 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.1613 NOC1=C2C=CC=NC2=CC=C1 SY282061 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.1613 NOC1=C2C=CC=NC2=CC=C1 SY282062 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.1613 NOC1=C2N=CC=CC2=CC=C1 SY282248 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.1613 NOC1=C2N=CC=CC2=CC=C1 SY282249 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.1613 O=CC1=NC=CC2=C1C=CC=C2 SY025670 [0,0,0,0,0,0|3,0,0]=3 23 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 SY007270 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.1081 BrC1=C2C=CC=CC2=NC=N1 SY043224 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 SY027740 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 BrC1=CN=CC2=C1C=CC=C2 SY003110 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.1081 BrC1=NC=CC2=C1C=CC=C2 SY047843 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.1081 BrC1=NC=CC2=C1C=CN=C2 SY037464 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 SY002173 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 SY113934 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 ClC1=CN=CC2=C1C=CC=C2 SY021123 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.1081 ClC1=NC=CC2=C1C=NC=C2 SY097895 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 SY008071 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 SY027896 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.1081 IC1=C2C=CC=CC2=CC=C1 SY024097 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 SY101342 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 SY003215 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 SY020044 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 SY062695 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.1081 NC1=CC=CC2=C1N=CC=C2 SY012863 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.1081 NC1=CC=CC2=CN=CC=C12 SY005585 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.1081 NC1=CC=NC2=CC=CC=C12 SY017843 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.1081 NC1=CN=CC2=C1C=CC=C2 SY020016 [1,0,0,0,0,0|1,0,0]=2 44 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 SY007847 [1,0,0,0,0,0|1,0,0]=2 45 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 SY026934 [1,0,0,0,0,0|1,0,1]=3 46 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 SY041595 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 SY004064 [1,0,0,0,0,0|2,0,0]=3 48 B14R2.1073 N#CC1=NC=CC2=C1C=CC(Br)=C2 SY070024 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.1131 COC1=NC=C(Br)C2=C1C=CC=C2 SY067301 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1131 NNC1=NN=C(Cl)C2=C1C=CC=C2 SY008372 [0,1,0,0,0,0|0,0,0]=1 51 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 SY036923 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 SY017660 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 SY048083 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.7150 NOCC1=C2C=CC=CC2=CC=C1 SY281572 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.7150 NOCC1=C2C=CC=CC2=CC=C1 SY281573 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 SY047277 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 SY032143 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 SY020862 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 SY031982 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.31359 O=C(O)C1=CN=CC2=C1C=CC=C2 SY030022 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.31359 O=C(O)C1=NC=CC2=C1C=CC=C2 SY018979 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.31359 OB(O)C1=CN=CC2=C1C=CC=C2 SY004001 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.31359 OB(O)C1=CN=CC2=C1C=CC=C2 SY113322 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.77 COC1=CC=CC=C1C(=O)NN SY061614 [0,0,1,0,0,0|3,0,0]=4 65 B12R2.1 ClCC1=C2C=CC=CC2=NO1 SY246814 [0,0,0,0,1,0|3,0,0]=4 66 B12R2.1 N#CC1=NNC2=C1C=CC=C2 SY032791 [0,0,0,0,1,0|1,0,2]=4 67 B12R2.1 NCC1=CNC2=C1C=CC=C2 SY026632 [0,0,0,0,1,0|2,0,1]=4 68 B12R2.1 NCC1=COC2=CC=CC=C12 SY026635 [0,0,0,0,1,0|3,0,0]=4 69 B12R2.1 NCC1=CSC2=CC=CC=C12 SY027010 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.1 NCC1=NN=C2C=CC=CN21 SY143771 [0,0,0,0,1,0|2,0,0]=3 71 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY006135 [0,0,0,0,1,0|1,0,1]=3 72 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY018527 [0,0,0,0,1,0|1,0,1]=3 73 B12R2.1 O=CC1=C2C=CC=CC2=NO1 SY246815 [0,0,0,0,1,0|3,0,0]=4 74 B12R2.1 O=CC1=NNC2=C1C=CC=C2 SY004602 [0,0,0,0,1,0|2,0,1]=4 75 B12R2.1 OCC1=C2C=CC=CC2=NO1 SY246813 [0,0,0,0,1,0|3,0,0]=4 76 B12R2.1 OCN1N=NC2=CC=CC=C21 SY024115 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 SY095881 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.53 N#CC1=CC=CC=C1C(=N)N SY028775 [1,0,1,0,0,0|0,0,2]=4 79 B11R1.222 NNC(=O)C1=CC=CC=C1N SY040605 [1,0,1,0,0,0|1,0,1]=4 80 B11R2.20 C1=CC2=C(C=C1)C=NN=C2 SY004474 [2,0,0,0,0,0|0,0,0]=2 81 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [2,0,0,0,0,0|1,0,1]=4 82 B11R2.20 C1=CC2=C(C=C1)N=CN=C2 SY006075 [2,0,0,0,0,0|2,0,0]=4 83 B11R2.20 C1=CC2=CN=CC=C2N=C1 SY022984 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.20 C1=CC=CC2=C1C=CN=C2 SY246282 [2,0,0,0,0,0|1,0,0]=3 85 B13R2.32 CC1=CC=C2C=CC=CC2=C1N SY050539 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.32 NC1=C(I)C2=C(C=CC=C2)C=N1 SY293526 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.162 CC1=CC2=C(C=CN=C2Cl)C=C1 SY003958 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.162 CC1=CC2=C(C=CN=C2O)C=C1 SY005440 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.162 ClC1=CC2=C(C=CN=C2Br)C=C1 SY070669 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 ClC1=CC2=C(C=CN=C2Cl)C=C1 SY031113 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.162 ClC1=NC=CC2=CC=C(Br)C=C21 SY009086 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.162 NC1=C2C=C(Br)C=CC2=NC=N1 SY031993 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.162 NC1=C2C=C(Cl)C=CC2=NN=C1 SY028257 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.162 NC1=CC=CC2=C1C=C(O)C=C2 SY011420 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.162 NC1=NC=CC2=C1C=C(Br)C=C2 SY029021 [1,1,0,0,0,0|1,0,0]=3 96 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Br)=N1 SY294717 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 SY007666 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.328 NC1=C2C=CC=CC2=CC(O)=C1 SY271721 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 SY128071 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.328 NC1=NC(Cl)=NC2=C1C=CC=C2 SY003247 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.342 ClC1=NC=CC2=C1C=CC=C2Br SY065697 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.342 FC1=CC=CC2=C1C=CN=C2Cl SY022799 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=C1 SY058073 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.342 NC1=C2C=CC=C(Cl)C2=CC=C1 SY237460 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.342 NC1=CC=CC2=C1C=CC=C2F SY294189 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.371 BrC1=NN=C(Br)C2=C1C=CC=C2 SY059015 [1,1,0,0,0,0|1,0,0]=3 107 B13R2.371 CC1=NNC(=O)C2=C1C=CC=C2 SY083782 [1,1,0,0,0,0|1,0,1]=4 108 B13R2.371 ClC1=C2C=CN=CC2=C(Cl)N=N1 SY006767 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.371 ClC1=CN=C(Cl)C2=C1C=CC=C2 SY031112 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.371 ClC1=NC=C(Br)C2=C1C=CC=C2 SY003964 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CC=C2 SY007673 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CC=N2 SY011647 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.371 NC1=C2C=CC=CC2=C(Br)C=C1 SY002587 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.371 NC1=C2C=CC=CC2=C(F)C=C1 SY046382 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.371 NC1=C2C=CC=CC2=C(I)C=C1 SY302247 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.371 NC1=NNC(=O)C2=C1C=CC=C2 SY279636 [1,1,0,0,0,0|0,0,1]=3 117 B13R2.371 O=C1NN=C(Br)C2=C1C=CC=C2 SY218710 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.371 O=C1NN=C(Cl)C2=C1C=CC=C2 SY239062 [1,1,0,0,0,0|1,0,1]=4 119 B13R2.371 OC1=NC=C(Br)C2=C1C=CC=C2 SY018185 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.4818 ClC1=CC=CC2=C1C(Br)=CN=C2 SY259128 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.4818 ClC1=NC=CC2=CC=CC(Br)=C21 SY019970 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.4818 NC1=C2C(Br)=CC=CC2=CC=C1 SY212119 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.4818 NC1=C2C(Cl)=CC=CC2=CC=C1 SY283505 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.4818 NC1=CC=CC2=C1C(Br)=CN=C2 SY164513 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.4818 NC1=CC=CC2=CC=CC(N)=C12 SY035723 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.5179 CC1=CC2=C(C=C1)C(Cl)=NC=C2 SY003959 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.5179 CC1=CC2=CC=CC(N)=C2C=C1 SY121421 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.5179 ClC1=CC2=C(C=C1)C(Cl)=NC=C2 SY041621 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.5179 ClC1=NC=CC2=C1C=CC(Br)=C2 SY007683 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.5179 NC1=NC=CC2=C1C=CC(Br)=C2 SY033440 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.5179 O=C1NN=CC2=C1C=CC(Br)=C2 SY042287 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 SY032797 [0,1,0,0,1,0|1,0,1]=4 133 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 SY034712 [0,1,0,0,1,0|1,0,1]=4 134 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O SY031980 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.18 CC1=CC=CC=C1C2=NN=NN2 SY038793 [0,0,1,1,0,0|0,0,2]=4 136 B13R2.18 FC1=CC=CC=C1C2=NN=NN2 SY038797 [0,0,1,1,0,0|1,0,1]=4 137 B13R2.18 NC1=CC=CC=C1C2=NN=NN2 SY012438 [0,0,1,1,0,0|1,0,1]=4 138 B13R2.18 OC1=CC=CC=C1C2=NN=NN2 SY012320 [0,0,1,1,0,0|1,0,1]=4 139 B11R2.1 BrC1=NN=C2C=CC=CN12 SY056903 [1,0,0,0,1,0|2,0,0]=4 140 B11R2.1 BrC1=NNC2=C1C=CC=C2 SY021216 [1,0,0,0,1,0|1,0,1]=4 141 B11R2.1 CC1=C2C=CC=CC2=NO1 SY246355 [1,0,0,0,1,0|2,0,0]=4 142 B11R2.1 CC1=NNC2=C1C=CC=C2 SY015996 [1,0,0,0,1,0|1,0,1]=4 143 B11R2.1 ClC1=NOC2=CC=CC=C21 SY042811 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.1 ClC1=NSC2=C1C=CC=C2 SY050239 [1,0,0,0,1,0|2,0,0]=4 145 B11R2.1 ClN1N=NC2=CC=CC=C21 SY018647 [1,0,0,0,1,0|2,0,0]=4 146 B11R2.1 IC1=C2C=CC=CN2C=N1 SY233335 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 IC1=NC=C2C=CC=CN21 SY233334 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.1 IC1=NNC2=C1C=CC=C2 SY031006 [1,0,0,0,1,0|1,0,1]=4 149 B11R2.1 NC1=C2C=CC=CC2=NO1 SY233373 [1,0,0,0,1,0|1,0,0]=3 150 B11R2.1 NC1=CN=C2C=CC=CN12 SY025258 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.1 NC1=CNC2=C1C=CC=C2 SY236577 [1,0,0,0,1,0|1,0,1]=4 152 B11R2.1 NC1=CSC2=CC=CC=C12 SY151802 [1,0,0,0,1,0|2,0,0]=4 153 B11R2.1 NC1=NC=C2C=CC=CN21 SY235558 [1,0,0,0,1,0|1,0,0]=3 154 B11R2.1 NC1=NCC2=C1C=CC=C2 SY027372 [1,0,0,0,1,0|0,0,1]=3 155 B11R2.1 NC1=NN=C2N=CC=CN12 SY242647 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.1 NC1=NNC2=C1C=CC=C2 SY007051 [1,0,0,0,1,0|0,0,1]=3 157 B11R2.1 NC1=NNC2=C1C=CC=N2 SY007922 [1,0,0,0,1,0|1,0,1]=4 158 B11R2.1 NC1=NOC2=CC=CC=C21 SY034280 [1,0,0,0,1,0|1,0,0]=3 159 B11R2.1 NN1C=CC2=C1C=CC=C2 SY024456 [1,0,0,0,1,0|2,0,0]=4 160 B11R2.1 NN1N=NC2=C1C=CC=C2 SY008977 [1,0,0,0,1,0|1,0,0]=3 161 B11R2.1 OC1=NOC2=CC=CC=C21 SY031398 [1,0,0,0,1,0|2,0,0]=4 162 B11R2.1 ON1N=CC2=C1C=CC=C2 SY274261 [1,0,0,0,1,0|2,0,0]=4 163 B11R2.106 NC1=NC=CC2=C1C=CN2 SY026009 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.106 NC1=NC=CC2=C1C=CO2 SY269820 [1,0,0,0,1,0|2,0,0]=4