0 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.2 C#CC1=CC(Cl)=CN=C1 C77589 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.2 C#CC1=CC=CC(Cl)=N1 AT12436 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.2 C#CC1=CC=CC(F)=N1 C71915 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.2 CC1=CC(C#N)=NN=C1 P12502 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,0,0,0,0,0|1,0,1]=2 23 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,0,0,0,0,0|0,0,0]=0 32 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.2 N#CC1=CC(F)=CN=C1 82241 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [0,0,0,0,0,0|2,0,1]=3 57 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [0,0,0,0,0,0|2,0,1]=3 58 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,0,0,0,0,0|3,0,1]=4 65 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.2 BrCC1=CN=CN=C1 O11299 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 BrCC1=NC=NC=C1 Y10744 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|0,0,2]=3 79 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 NCC1=CN=CN=C1 26963 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 NCC1=CN=NC=C1 27223 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NCC1=CN=NC=C1 36975 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|1,0,0]=2 95 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.4 CC1=CC=CC(I)=N1 S10876 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.4 CC1=CN=NC(=O)C1 78530 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.4 CC1=NC=CC(N)=N1 25050 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.4 IC1=CN=CC(I)=C1 83196 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.4 NC1=CC(O)=CN=C1 24928 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.4 NC1=CC(O)=CN=C1 26279 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.4 NC1=CC=CC(I)=N1 76368 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.4 NC1=CN=CC(N)=C1 26714 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.4 NC1=CN=CC(N)=N1 30602 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.4 OC1=NC(S)=NN=C1 C75942 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.2 CC1=C(Br)C=NC=C1CO W10840 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.2 CC1=CC=CC(CN)=C1F CL9718 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.2 CC1=CC=CC(CN)=C1O Y10488 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.2 CC1=CC=CC(CO)=C1Br 74396 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.2 COC1=C(C)C(N)=CN=C1 N13054 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.2 NC1=C(Br)C=NC=C1CO C73470 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.8 CC1=CC(=O)C=C(CBr)O1 AT10856 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.8 CC1=CC(Br)=CC(C#N)=N1 P17802 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 D78899 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.8 CC1=CC(Br)=CC(CN)=C1 92716 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.8 CC1=CC(Br)=CC(CO)=C1 52074 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.8 CC1=CC(Br)=CC(CO)=N1 C75215 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.8 CC1=CC(C#N)=NC(C)=C1 D84740 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.8 CC1=CC(C)=NC(CCl)=N1 36165 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.8 CC1=CC(C)=NC(CO)=N1 C75544 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.8 CC1=CC(CBr)=NC(C)=C1 79215 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.8 CC1=CC(CN)=NC(C)=C1 D79197 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.8 CC1=CC(CO)=CC(N)=C1 35511 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.8 CC1=CC(CO)=NC(C)=C1 F12065 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.8 CC1=CC(CO)=NC(C)=N1 P20536 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.8 CC1=CC(Cl)=CC(C#N)=N1 96459 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.8 CC1=CC(F)=CC(CN)=C1 D81546 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.8 CC1=NC(CCl)=NC(O)=C1 F19600 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.8 CCC1=CC(=O)NC(N)=N1 F10942 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.8 CCC1=CC(Br)=CC(N)=C1 O10968 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 51558 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 O11133 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C75639 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 O11171 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 79601 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.8 COC1=CC(Cl)=NC(C)=N1 36026 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.8 COC1=CC(N)=CC(Br)=N1 O10695 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.8 COC1=CC(N)=CC(Cl)=N1 79629 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.8 COC1=NC(C)=CC(Cl)=N1 C77332 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.8 COC1=NC(C)=CC(N)=C1 F21240 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.8 COC1=NC(C)=NC(N)=C1 D71931 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.8 COC1=NC(N)=CC(Br)=C1 D83261 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.8 COC1=NC(N)=CC(C)=N1 C75435 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.8 COC1=NC(N)=CC(Cl)=C1 O11220 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.8 CSC1=NC(N)=CC(C)=N1 C74284 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 Y13359 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 C76763 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.10 CC#CC1=CC(Br)=CN=C1 F13546 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.10 CCNC1=CC=NC(Cl)=N1 S12322 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.10 CCOC1=CC(Cl)=NN=C1 C77015 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,1,0,0,0,0|0,0,0]=1 172 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.10 CCOC1=NC(N)=CC=N1 70347 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.10 COCC1=CC=NC(Cl)=N1 C72174 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.10 COCC1=NC(N)=CC=N1 20330 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.10 N#CCC1=CC(Br)=CN=C1 69670 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.10 N#CCC1=CC(F)=CN=C1 39148 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.10 N#CCC1=CC=CC(F)=N1 W13471 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.10 N#CCC1=CN=CC(Cl)=N1 88650 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.30 CC1=CC(C#N)=C(N)N=C1 C74945 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.30 CC1=CC(CN)=C(F)C=C1 W18911 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.30 CC1=CN=C(Br)C(C#N)=C1 C76069 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [0,1,0,0,0,0|1,0,1]=3 198 B10R1.30 CC1=CN=C(Cl)C(C#N)=N1 BL010407 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.30 CC1=CN=C(F)C(C#N)=C1 C71911 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.30 CC1=NC(C#N)=C(Br)C=C1 22643 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.30 CC1=NC(C#N)=C(Cl)C=C1 C77010 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.30 CC1=NC(C=O)=C(F)C=C1 P17355 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.30 CCC1=CC(=O)NN=C1Cl S11537 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.30 CCC1=CC(Cl)=NN=C1Cl S11033 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.30 CNC1=C(N)C=CC(Cl)=N1 W11032 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.30 CNC1=CC(Br)=CN=C1N N10250 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.30 COC1=NC(Br)=CNC1=O C13693 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.30 COC1=NC(C)=NC=C1N C75487 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.30 CSC1=CC(Cl)=CN=C1Cl 79286 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.30 FC1=NC(CCl)=C(Br)C=C1 W17900 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.30 N#CC1=C(N)N=CC(Cl)=N1 36032 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.30 N#CC1=NC(Br)=CN=C1Br P13094 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.30 N#CC1=NC(F)=CN=C1F F12442 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 27388 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 C77004 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl P13243 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.30 OCC1=C(Br)C=CC(Br)=N1 AT15259 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.30 OCC1=C(Br)C=CC(Cl)=N1 24113 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.30 OCC1=C(F)C=CC(Br)=N1 79199 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.30 OCC1=CC(Cl)=CN=C1Br C71878 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.30 OCC1=CC(Cl)=CN=C1Cl 55139 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|1,0,1]=3 250 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.113 CC(C)C1=CC=NC(N)=N1 92048 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.113 CC(C)C1=NC=CC(O)=N1 W12564 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.113 FC(F)C1=CC=CC(Cl)=N1 D83938 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.172 CCC1=CC=NC(CC)=N1 31687 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.172 CNC1=CC=NC(NC)=N1 C90554 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.172 COC1=CN=CC(OC)=C1 24562 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.172 COC1=NC(C#N)=CN=C1 O10820 [0,1,0,0,0,0|1,0,1]=3 330 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.172 COC1=NC(CO)=CC=N1 P12426 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.172 CSC1=NC(CN)=CC=N1 C72245 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.172 ClCC1=CC=CC(CCl)=N1 D78082 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.172 N#CC1=CC(CBr)=CN=C1 C71756 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.172 N#CC1=CC(CCl)=CN=C1 W18540 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.172 N#CC1=CC(CO)=CN=C1 O11305 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.172 N#CC1=CC=CC(CBr)=N1 54578 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.172 N#CC1=CC=CC(CO)=N1 57474 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.172 NCC1=CC=CC(CN)=N1 C11112 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.172 NCC1=CC=CC(CO)=N1 C15881 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.172 NCC1=CC=CC(CO)=N1 C73446 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.176 CC1=C(N)N=CC(C#N)=N1 BL010404 [0,1,0,0,0,0|1,0,1]=3 354 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.176 CC1=CC(C#N)=CN=C1Br 25892 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.176 CC1=CC(C#N)=CN=C1C 72102 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.176 CC1=CC(C#N)=CN=C1N 28393 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.176 CC1=NC(C#N)=CN=C1Cl BL010405 [0,1,0,0,0,0|1,0,1]=3 362 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 C76674 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.176 COC1=NC(C)=C(Br)C=N1 C74970 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.176 COC1=NC(C)=C(N)C=N1 C77088 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 C76489 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 COC1=NC(F)=C(Br)C=C1 S10193 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.176 COC1=NC(N)=C(Br)C=C1 C75397 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.176 COC1=NC(N)=C(Cl)C=C1 O10989 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.176 CSC1=CN=C(Br)C(F)=C1 D79863 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.176 ClC1=C(I)C=C(CBr)C=N1 C77062 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.176 ClCC1=NC(Cl)=C(Br)C=C1 D79873 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.176 FC1=CC(CCl)=CN=C1Cl D84735 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.176 FC1=CC=C(CCl)N=C1Br D79887 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 Y13179 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.176 NCC1=CN=C(Cl)C(F)=C1 Y12730 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 C73424 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C72451 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 89008 [0,1,0,0,0,0|3,0,0]=4 398 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [0,0,0,1,0,0|3,0,0]=4 399 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,0,0,0,1,0|3,0,0]=4 401 B8R1.1 BrCC1=NC(Br)=NO1 C77501 [0,0,0,0,1,0|3,0,0]=4 402 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,0,0,0,1,0|1,0,2]=4 403 B8R1.1 C#CC1=NN(C)C=N1 E70330 [0,0,0,0,1,0|1,0,2]=4 404 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,0,0,0,1,0|3,0,0]=4 405 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,0,0,0,1,0|3,0,0]=4 406 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,0,1,0|1,0,2]=4 407 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,0,1,0|2,0,0]=3 408 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,0,1,0|2,0,0]=3 409 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,0,1,0|2,0,1]=4 410 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,0,0,0,1,0|1,0,1]=3 411 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,0,0,0,1,0|2,0,0]=3 412 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,0,0,0,1,0|1,0,2]=4 413 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,0,1,0|1,0,2]=4 414 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,0,1,0|2,0,1]=4 415 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,0,0,0,1,0|2,0,0]=3 416 B8R1.1 CC1=CSC(CO)=N1 78422 [0,0,0,0,1,0|2,0,0]=3 417 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,0,0,0,1,0|2,0,1]=4 418 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,0,0,0,1,0|2,0,1]=4 419 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,0,0,0,1,0|2,0,0]=3 420 B8R1.1 CC1=NC(CBr)=NO1 F13555 [0,0,0,0,1,0|2,0,0]=3 421 B8R1.1 CC1=NC(CCl)=NO1 C71636 [0,0,0,0,1,0|2,0,0]=3 422 B8R1.1 CC1=NC(CN)=NO1 72162 [0,0,0,0,1,0|2,0,0]=3 423 B8R1.1 CC1=NC(CO)=CN1 22905 [0,0,0,0,1,0|1,0,1]=3 424 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,0,0,0,1,0|2,0,1]=4 425 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,0,1,0|2,0,1]=4 426 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,0,0,0,1,0|2,0,0]=3 427 B8R1.1 CC1=NC=C(CN)S1 72160 [0,0,0,0,1,0|2,0,0]=3 428 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,0,0,0,1,0|2,0,0]=3 429 B8R1.1 CC1=NN=C(CN)N1 AT12331 [0,0,0,0,1,0|2,0,1]=4 430 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,0,0,0,1,0|3,0,0]=4 431 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,0,0,0,1,0|3,0,0]=4 432 B8R1.1 CC1=NNC(CO)=C1 71135 [0,0,0,0,1,0|3,0,0]=4 433 B8R1.1 CC1=NNC(CO)=N1 W19133 [0,0,0,0,1,0|2,0,0]=3 434 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,0,0,0,1,0|3,0,0]=4 435 B8R1.1 CC1=NOC(CN)=C1 20228 [0,0,0,0,1,0|3,0,0]=4 436 B8R1.1 CC1=NOC(CN)=N1 S10792 [0,0,0,0,1,0|2,0,0]=3 437 B8R1.1 CCC1=CC(N)=NO1 71263 [0,0,0,0,1,0|3,0,0]=4 438 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,0,0,0,1,0|3,0,0]=4 439 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,1,0|1,0,0]=2 440 B8R1.1 CCC1=CN=C(N)S1 84403 [0,0,0,0,1,0|2,0,0]=3 441 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,0,0,0,1,0|3,0,0]=4 442 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,0,0,0,1,0|3,0,0]=4 443 B8R1.1 CN1C=CC(C#N)=N1 35174 [0,0,0,0,1,0|2,0,1]=4 444 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,0,0,0,1,0|2,0,0]=3 445 B8R1.1 CN1C=NC(C#N)=N1 91783 [0,0,0,0,1,0|2,0,1]=4 446 B8R1.1 CN1C=NC(C=O)=N1 D82935 [0,0,0,0,1,0|2,0,1]=4 447 B8R1.1 CN1C=NC(CCl)=N1 29909 [0,0,0,0,1,0|2,0,0]=3 448 B8R1.1 CN1C=NC(CN)=C1 38318 [0,0,0,0,1,0|3,0,0]=4 449 B8R1.1 CN1C=NC(CN)=C1 82874 [0,0,0,0,1,0|3,0,0]=4 450 B8R1.1 CN1C=NC(CO)=N1 26175 [0,0,0,0,1,0|2,0,0]=3 451 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,0,0,0,1,0|3,0,0]=4 453 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,0,0,0,1,0|3,0,0]=4 454 B8R1.1 CNC1=NC(C)=NS1 72649 [0,0,0,0,1,0|2,0,0]=3 455 B8R1.1 CNC1=NN=C(C)S1 71271 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,0,0,0,1,0|3,0,0]=4 457 B8R1.1 COC1=NC=C(Br)S1 78090 [0,0,0,0,1,0|3,0,0]=4 458 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,0,0,0,1,0|3,0,0]=4 459 B8R1.1 CSC1=NN=C(C)S1 D80857 [0,0,0,0,1,0|3,0,0]=4 460 B8R1.1 NC1=NC(CO)=NN1 52868 [0,0,0,0,1,0|3,0,0]=4 461 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,0,0,0,1,0|3,0,0]=4 462 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,0,0,0,1,0|3,0,0]=4 463 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,0,0,0,1,0|3,0,0]=4 464 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,0,0,0,1,0|3,0,0]=4 465 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,0,0,0,1,0|3,0,0]=4 466 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,0,0,0,1,0|3,0,0]=4 467 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,0,0,0,1,0|3,0,0]=4 469 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,0,0,0,1,0|3,0,0]=4 470 B8R1.11 CC1=C(C#N)C=NN1 P12753 [0,0,0,0,1,0|2,0,1]=4 471 B8R1.11 CC1=C(CO)C=CO1 30727 [0,0,0,0,1,0|3,0,0]=4 472 B8R1.11 CC1=C(CO)C=NO1 72237 [0,0,0,0,1,0|2,0,0]=3 473 B8R1.11 CC1=C(CO)N=NS1 73069 [0,0,0,0,1,0|3,0,0]=4 474 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,0,0,0,1,0|2,0,0]=3 475 B8R1.11 CC1=CNN=C1CN P17767 [0,0,0,0,1,0|2,0,1]=4 476 B8R1.11 CC1=CON=C1CN AT25740 [0,0,0,0,1,0|3,0,0]=4 477 B8R1.11 CC1=CSC=C1C#N D76347 [0,0,0,0,1,0|2,0,1]=4 478 B8R1.11 CC1=CSC=C1C=O P16095 [0,0,0,0,1,0|2,0,1]=4 479 B8R1.11 CC1=CSC=C1CO 57803 [0,0,0,0,1,0|2,0,0]=3 480 B8R1.11 CC1=NOC=C1CN 72854 [0,0,0,0,1,0|3,0,0]=4 481 B8R1.11 CC1=NOC=C1CN N10525 [0,0,0,0,1,0|3,0,0]=4 482 B8R1.11 CCC1=C(C)N=CS1 60935 [0,0,0,0,1,0|3,0,0]=4 483 B8R1.11 CCC1=CNN=C1C AC8755 [0,0,0,0,1,0|1,0,1]=3 484 B8R1.11 CCC1=NNC=C1Br 98406 [0,0,0,0,1,0|2,0,1]=4 485 B8R1.11 CN1C=CC=C1CN 88916 [0,0,0,0,1,0|3,0,0]=4 486 B8R1.11 CN1C=CC=C1CO D82110 [0,0,0,0,1,0|3,0,0]=4 487 B8R1.11 CN1C=NC=C1CN Y14872 [0,0,0,0,1,0|2,0,0]=3 488 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|1,0,0]=3 489 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,0,0]=3 491 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [1,1,0,0,0,0|0,0,2]=4 494 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|0,0,0]=2 505 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,1,0,0,0,0|0,0,0]=2 552 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,1,0,0,0,0|0,0,0]=2 558 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,1,0,0,0,0|0,0,1]=3 563 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|0,0,0]=2 565 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.8 NNCC1=CC=CN=C1 78930 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.8 NNCC1=NC=CC=C1 78929 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.8 OCCC1=CN=CN=C1 27368 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,1,0,0,0,0|0,0,2]=4 574 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 CC1=CC=CN=C1CN C72913 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 CC1=NC=CC=C1CN 72802 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.15 CC1=NC=CN=C1CO P10784 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.15 CCC1=CC=NN=C1Cl S11385 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|0,0,0]=2 595 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|0,0,1]=3 596 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.15 CNC1=NC=CN=C1N 25161 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.15 COC1=NC=CN=C1Br 27717 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 NCC1=CC=CN=C1N 89358 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 NCC1=CC=CN=C1O 55767 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.3 CC1=CN=CC(C)=C1Br 52045 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.3 CC1=CN=CC(C)=C1Cl AB6822 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.3 CC1=CN=CC(C)=C1I 52056 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.3 CC1=CN=CC(Cl)=C1N 27804 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.3 CC1=CN=CC(F)=C1N 93260 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.3 CC1=CN=CC(I)=C1N F12221 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.3 CC1=CN=CC(N)=C1N 26396 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.69 CC1=CC(Br)=CN=C1I I11229 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.69 CC1=CC(C)=NN=C1Cl 37531 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.69 CC1=CC(F)=CN=C1N 27788 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.69 CC1=CC(I)=CN=C1Cl I10138 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.69 CC1=CC(I)=CN=C1F A10643 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.69 CC1=CC(O)=CN=C1C W19117 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.69 CC1=CC(O)=CN=C1N 72099 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [1,1,0,0,0,0|0,0,0]=2 683 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 I10188 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 ClC1=NC(Br)=CN=C1Br I11306 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 26529 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.69 NC1=C(N)N=C(Cl)C=N1 N13199 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 NC1=C(S)N=CC(Cl)=N1 92331 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 NC1=C([S-])N=CC(Cl)=N1 AT21629 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.69 NC1=CN=C(Br)C(Br)=N1 C72407 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 NC1=CN=C(I)C(Cl)=N1 W15257 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 NC1=NC(Cl)=CN=C1Cl C10162 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 NC1=NC=C(Br)N=C1I F16396 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 OC1=CN=C(Br)C(Cl)=N1 P18868 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,1,0|1,0,0]=3 708 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,1,0|1,0,0]=3 709 B9R1.7 CC1=NC(CC#N)=NN1 F13322 [0,1,0,0,1,0|1,0,1]=4 710 B9R1.7 CC1=NC(CCN)=NO1 72552 [0,1,0,0,1,0|1,0,0]=3 711 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,0,1,0|1,0,1]=4 712 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.7 CN1C=CC(CNN)=N1 P18046 [0,1,0,0,1,0|2,0,0]=4 714 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,1,0,0,1,0|2,0,0]=4 715 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,1,0,0,1,0|1,0,1]=4 716 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,1,0,0,1,0|0,0,2]=4 717 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,1,0,0,1,0|1,0,1]=4 718 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,1,0,0,1,0|2,0,0]=4 719 B9R1.21 CCN1C=C(CO)C=N1 71382 [0,1,0,0,1,0|2,0,0]=4 720 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,1,0,0,1,0|2,0,0]=4 721 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,1,0,0,1,0|2,0,0]=4 722 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,1,0|2,0,0]=4 723 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,1,0|2,0,0]=4 724 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,1,0,0,1,0|2,0,0]=4 725 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,1,0|2,0,0]=4 726 B9R1.22 CN1C=C(F)C(CO)=N1 97595 [0,1,0,0,1,0|2,0,0]=4 727 B9R1.22 COC1=NN(C)C=C1Br P17795 [0,1,0,0,1,0|2,0,0]=4 728 B9R1.22 COC1=NN(C)C=C1N 72943 [0,1,0,0,1,0|2,0,0]=4 729 B9R1.22 COC1=NN(C)C=C1N P19123 [0,1,0,0,1,0|2,0,0]=4 730 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,1,0|2,0,0]=4 731 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,1,0,0,1,0|2,0,0]=4 732 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,1,0,0,1,0|1,0,0]=3 733 B9R1.23 CCN1C=C(C)C(N)=N1 P18700 [0,1,0,0,1,0|2,0,0]=4 734 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,0,1,0|1,0,0]=3 735 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,1,0|1,0,1]=4 736 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,1,0|1,0,1]=4 737 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|1,0,1]=4 738 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,1,0|1,0,1]=4 739 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,1,0,0,1,0|2,0,0]=4 740 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,1,0,0,1,0|2,0,0]=4 741 B9R1.35 CC(C)C1=CSC(N)=N1 29941 [0,1,0,0,1,0|2,0,0]=4 742 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [0,1,0,0,1,0|2,0,0]=4 743 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,1,0|0,0,1]=3 744 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,1,0,0,1,0|1,0,1]=4 745 B9R1.35 CC1=NOC([C@H](C)N)=N1 70858 [0,1,0,0,1,0|1,0,0]=3 746 B9R1.35 CC1=NOC([C@H](C)N)=N1 70930 [0,1,0,0,1,0|1,0,0]=3 747 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,0,1,0|2,0,0]=4 748 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.35 C[C@H](N)C1=CN(C)N=C1 79129 [0,1,0,0,1,0|2,0,0]=4 750 B9R1.35 C[C@H](N)C1=CN(C)N=C1 P10329 [0,1,0,0,1,0|2,0,0]=4 751 B9R1.14 CCN1C=NC=C1C=O C73658 [0,1,0,0,1,0|1,0,1]=4 752 B9R1.14 CCN1C=NC=C1C=O S10760 [0,1,0,0,1,0|1,0,1]=4 753 B9R1.14 OCC1=C(CO)NN=C1 S10004 [0,1,0,0,1,0|2,0,0]=4 754 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [0,1,0,0,1,0|2,0,0]=4 755 B9R1.27 CCC1=C(Br)C=NN1C P19807 [0,1,0,0,1,0|2,0,0]=4 756 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,0,1,0|2,0,0]=4 757 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,0,1,0|2,0,0]=4 758 B9R1.33 CN1C=NC=C1CCN 70377 [0,1,0,0,1,0|1,0,0]=3 759 B9R1.33 CN1C=NC=C1CCO AT15579 [0,1,0,0,1,0|1,0,0]=3 760 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,0,1,0|1,0,1]=4 761 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,1,0|0,0,2]=4 762 B9R1.41 CC1=NNC=C1[C@H](C)O 72728 [0,1,0,0,1,0|1,0,1]=4 763 B11R1.159 CC1=CC=CC(C(C)C)=C1N 77942 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C Y11914 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C Y12440 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.159 CC1=CC=CC([C@H](C)N)=C1Cl Y12291 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.159 CC1=CC=CC([C@H](C)N)=C1Cl Y12292 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.159 CC1=CC=CC([C@H](C)N)=C1Cl Y13233 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.267 COC1=CN=CC(OC)=C1Br C10138 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.9 BrCC1=CC(Br)=CC(CBr)=N1 D82839 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.9 CC1=CC(C#N)=CC(CO)=N1 F11622 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 P16583 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.9 COC1=CC(Cl)=CC(OC)=N1 D82955 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.9 COC1=CC(N)=CC(OC)=N1 F19757 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.9 COC1=NC(C)=CC(CCl)=C1 D83512 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.9 OCC1=CC(Br)=CC(CO)=N1 F19602 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.14 COC1=NC(C)=C(Br)C(C)=C1 73447 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.34 CCOC1=NC(C)=CC(N)=C1 C73752 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.74 CC1=CC(C)=CC([C@H](C)N)=C1 20077 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.74 CC1=CC(C)=CC([C@H](C)N)=C1 N14381 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.74 CC1=CC(C)=CC([C@H](C)N)=C1 Y11912 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.74 CC1=CC(C)=CC([C@H](C)N)=C1 Y12441 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.74 CC1=CC(O)=NC(C(C)C)=C1 C90501 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.24 CCCOC1=NC(C)=CN=C1 C76147 [0,2,0,0,0,0|0,0,0]=2 812 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.182 CCOC1=C(Br)C=CC(Cl)=N1 D83089 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 25162 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.189 CNCC1=CC=NC(SC)=N1 C73866 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.189 COC1=CN=CC(CCN)=C1 W10141 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.189 COC1=NC(CCN)=CC=C1 73037 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.189 COCC1=CC(CN)=CC=C1 O10066 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.189 COCC1=CC=CC(C=O)=N1 C76996 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.192 CC1=C(F)C=CC(CCO)=N1 P19192 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|0,0,1]=3 832 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N13078 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13442 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13443 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13444 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.277 CC1=NC(C)=C(C)N=C1CBr S11280 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.277 CCC1=NC(C)=C(C)N=C1C C73333 [0,2,0,0,0,0|0,0,0]=2 841 B11R1.280 CCC1=C(Br)C=CC(OC)=C1 72075 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.280 CCC1=C(F)C=CC(CO)=C1 F31368 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.280 CNC1=NC(CN)=CC=C1C 72583 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.280 COC1=CC(OC)=C(N)N=C1 28153 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.280 COC1=NC(CO)=C(Br)C=C1 AT10417 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.280 CSC1=NN=C(N)C(SC)=N1 W10163 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y11738 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12483 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12484 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13421 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13422 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 F16962 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10261 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10483 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10896 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20091 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20093 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F16977 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 N14192 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.21 CC1=CC(C(F)F)=CN=C1Cl 55146 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 54478 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 N11822 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 F30953 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 83830 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.155 CC(F)(F)C1=CC(Br)=CN=C1 54714 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.155 FC(F)(F)C1=CN=CC(Cl)=N1 N12305 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.155 NC1=CN=CC(C(F)(F)F)=N1 F10998 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 39139 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 39101 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.266 CCC1=CC(B(O)O)=CN=C1 27263 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12133 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12134 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12985 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C75051 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 Y11422 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 N11220 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y14753 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.266 FC(F)C1=CC=CC(CCl)=N1 P15321 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.279 CCC1=CC=C(C#N)C(O)=N1 C90475 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.279 COC1=CN=C(C#N)C(C)=C1 82258 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.279 COC1=NC(C)=C(C#N)C=C1 85188 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,0,1,1,0,0|2,0,0]=4 897 B9R2.3 C1=NNC2=C1COC2 P21049 [0,0,0,1,1,0|2,0,0]=4 898 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,1,0,1,0,0|2,0,0]=4 899 B11R2.35 BrC1=CN=CC(C2CC2)=C1 F15531 [0,1,0,1,0,0|2,0,0]=4 900 B11R2.35 BrC1=NC(C2CC2)=CN=C1 55122 [0,1,0,1,0,0|1,0,0]=3 901 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,1,0,1,0,0|2,0,0]=4 902 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,1,0,1,0,0|2,0,0]=4 903 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,1,0,1,0,0|2,0,0]=4 904 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,1,0,1,0,0|2,0,0]=4 905 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,1,0,1,0,0|2,0,0]=4 906 B11R2.36 CC1=NC2=C(C=N1)CSC2 C74866 [0,1,0,1,0,0|2,0,0]=4 907 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,1,0,1,0,0|2,0,0]=4 908 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,1,0,1,0,0|2,0,0]=4 909 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [0,1,0,1,0,0|2,0,0]=4 910 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [0,1,0,1,0,0|2,0,0]=4 911 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,1,0|2,0,0]=4 914 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,1,0|2,0,0]=4 915 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.1 BrCC1=CON=C1 95088 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,1,0|2,0,0]=4 921 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|1,0,0]=3 922 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,1,0|2,0,0]=4 923 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,1,0|1,0,0]=3 924 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 925 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 926 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 927 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 928 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,1,0|2,0,0]=4 930 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 931 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,1,0|1,0,1]=4 932 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,1,0|2,0,0]=4 933 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|1,0,1]=4 934 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 935 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,1,0|2,0,0]=4 937 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,1,0|2,0,0]=4 938 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,1,0|2,0,0]=4 939 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,1,0|2,0,0]=4 940 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,1,0|2,0,0]=4 941 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|1,0,1]=4 942 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|2,0,0]=4 943 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|1,0,1]=4 946 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|1,0,1]=4 947 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|2,0,0]=4 948 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|2,0,0]=4 949 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|2,0,0]=4 950 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|2,0,0]=4 951 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|2,0,0]=4 952 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|2,0,0]=4 953 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|1,0,1]=4 954 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|2,0,0]=4 955 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,1,0|2,0,0]=4 956 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|2,0,0]=4 957 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,1,0|2,0,0]=4 959 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,1,0|2,0,0]=4 960 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,1,0|2,0,0]=4 961 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,1,0|2,0,0]=4 962 B7R1.1 OCC1=NNC=N1 83468 [1,0,0,0,1,0|2,0,0]=4 963 B7R1.1 OCC1=NNC=N1 F53081 [1,0,0,0,1,0|2,0,0]=4 964 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,1,0|2,0,0]=4 965 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,0,1,0|2,0,0]=4 966 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,1,0|2,0,0]=4 967 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,1,0|2,0,0]=4 968 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,1,0|2,0,0]=4 969 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,1,0|2,0,0]=4 970 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,1,0|2,0,0]=4 971 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,1,0|2,0,0]=4 972 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,1,0|2,0,0]=4 973 B7R1.2 CC1=NC(N)=NS1 AT11903 [1,0,0,0,1,0|2,0,0]=4 974 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,1,0|2,0,0]=4 975 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,1,0|2,0,0]=4 976 B7R1.2 CC1=NN=C(C)C1 N10051 [1,0,0,0,1,0|2,0,0]=4 977 B7R1.2 CC1=NOC(N)=N1 AT13650 [1,0,0,0,1,0|2,0,0]=4 978 B7R1.2 CC1=NOC(O)=N1 C90490 [1,0,0,0,1,0|2,0,0]=4 979 B7R1.2 CC1=NSC(Br)=N1 80337 [1,0,0,0,1,0|2,0,0]=4 980 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,0,0,0,1,0|2,0,0]=4 981 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,0,1,0|2,0,0]=4 982 B7R1.4 CC1=C(N)C=NO1 D82481 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.4 CC1=C(N)ON=C1 C74807 [1,0,0,0,1,0|2,0,0]=4 984 B7R1.4 CC1=CSC=C1N P10841 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.4 CN1C=NC=C1N 27441 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.4 CN1C=NC=C1N FD10512 [1,0,0,0,1,0|2,0,0]=4