0 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 C#CC1=C(F)C=CC=N1 F21381 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.15 C#CC1=CC=CN=C1F C77200 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.15 C#CC1=CC=CN=C1O CS1686 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.15 C#CC1=NC=CN=C1C 79091 [0,0,0,0,0,0|0,0,2]=2 5 B9R1.15 C=CC1=CC=CN=C1Br 83953 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=C(CCl)C=NC=N1 F31172 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CC1=CC=CN=C1CN C72913 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.15 CC1=NC=CC=C1CN 72802 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.15 CC1=NC=CN=C1CN E70300 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.15 CC1=NC=CN=C1CN P19746 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.15 CC1=NC=CN=C1CO P10784 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.15 CC1=NC=CN=C1NN BL010270 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.15 CCC1=CC=CN=C1N 55791 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.15 CCC1=CC=NNC1=O S11452 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.15 CCC1=NC=CNC1=O S12194 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.15 CNC1=CC=CN=C1N 94808 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 CNC1=NC=CC=C1N 72351 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 CNC1=NC=CN=C1N 25161 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.15 COC1=CNC=NC1=O H10327 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.15 COC1=NC=CC=C1C C73664 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.15 COC1=NC=CN=C1Br 27717 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.15 COC1=NC=NC=C1N 24306 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.15 COC1=NC=NC=C1N 36696 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.15 N#CC1=C(I)C=CC=N1 CL0132 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.15 NC1=CC=CN=C1CO H10562 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.15 NC1=NC=CN=C1C=O 27460 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.15 NCC1=CC=CN=C1N 89358 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.15 NCC1=CC=CN=C1O 55767 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.15 NCC1=NN=CNC1=O 89484 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 O=C1NC=CC=C1CO P16012 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.15 O=CC1=NC=CN=C1Br P14054 [0,0,0,0,0,0|2,0,1]=3 72 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [0,0,0,0,0,0|2,0,1]=3 73 B9R1.15 OCC1=NC=CN=C1Cl 80497 [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 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.5 CC1=C(I)C=CC=N1 F19761 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.5 CC1=C(I)C=NC=N1 27820 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.5 CC1=CC=NN=C1Br N13316 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.5 CC1=CC=NN=C1Cl 38744 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.5 CC1=CN=CN=C1Br 27819 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.5 CC1=CN=CN=C1O 25833 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.5 CC1=NC=CN=C1Br 26975 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.5 CC1=NC=NC=C1N 25415 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.5 CC1=NCCN=C1C N13379 [1,0,0,0,0,0|0,0,2]=3 109 B8R1.5 CC1=NNC=NC1=O D79535 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.5 ClC1=CC=CN=C1I 68801 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.5 ClC1=NC=CN=C1Br C71707 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.5 ClC1=NC=CN=C1I AC1564 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.5 FC1=NC=CN=C1Br W17938 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.5 NC1=CC=CN=C1I RB1070 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.5 NC1=NC=CN=C1Br 27472 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.5 NC1=NC=CN=C1I 27241 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.5 OC1=NC=CN=C1Br A11981 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.5 OC1=NC=CN=C1O C74124 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.2 CC1=C(Br)C=CC=C1CBr 54940 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.2 CC1=C(Br)C=CC=C1CN 98269 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.2 CC1=C(Br)C=CN=C1C#N D79225 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.2 CC1=C(Cl)C=CN=C1C#N P10468 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.2 CC1=C(Cl)C=CN=C1CCl W19099 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.2 CC1=C(I)C=CC=C1CBr CL9688 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.2 CCC1=NC=NC(O)=C1Cl F30102 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.2 CNC1=C(C)C(Cl)=NC=N1 C72716 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.2 COC1=C(Br)C(N)=CC=N1 38420 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.2 COC1=C(C)C(Cl)=NC=N1 H11469 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.2 COC1=C(Cl)C(Cl)=CC=N1 D83251 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.2 COC1=NC=CC(C)=C1N 34938 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.2 COC1=NC=CC(I)=C1C 96428 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.2 COC1=NC=CC(I)=C1Cl 92374 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.2 COC1=NC=CC(N)=C1N 24240 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.2 CSC1=C(C)C(Cl)=NC=N1 W16885 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.4 CCOC1=NC=CN=C1N 25986 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.4 CCOC1=NC=NC=C1N C75583 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.4 N#CCC1=C(Br)C=CC=N1 P10900 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.4 N#CCC1=C(F)C=CC=N1 O10465 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.4 N#CCC1=C(N)N=CC=C1 D81373 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.4 N#CCC1=CC=CN=C1Br C71752 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.4 N#CCC1=NC=CC=C1N C71092 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.4 N#CCC1=NC=CN=C1Cl 38700 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.20 C#CC1=C(CO)C=CC=N1 W12663 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.20 C#CC1=CC=CN=C1OC C71657 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.20 COC1=CN=CN=C1OC H10157 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.20 COC1=NC=CC=C1CN 37576 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.20 COC1=NC=CC=C1NN D84114 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.20 COC1=NC=CN=C1NN C74005 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.20 COC1=NC=CN=C1OC 21131 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.20 N#CC1=C(CBr)C=CC=N1 87640 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.20 N#CC1=CC=CN=C1CCl A51113 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.20 NCC1=C(CN)C=CC=C1 20182 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.25 C#CC1=NC=C(F)C=C1C D79796 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 22703 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.25 CC1=C(C#N)C=CC(Cl)=N1 22614 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.25 CC1=C(C#N)C=CC(N)=N1 29233 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.25 CC1=CC(O)=CN=C1C#N 26385 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.25 CNC1=NC=C(Br)C=C1N C77013 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.25 COC1=NC=C(F)C=C1N C71761 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.25 COC1=NC=C(F)C=C1O S10276 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.25 ClCC1=CC=C(Cl)N=C1Cl F19959 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.25 FC1=CC(Br)=CN=C1CCl 52169 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.25 FC1=CC(Cl)=C(CCl)N=C1 BL010215 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.25 FC1=CC(Cl)=CN=C1CCl BL010224 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.25 FC1=CN=C(CBr)C(F)=C1 F18562 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.25 FC1=CN=C(CCl)C(F)=C1 P11155 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.25 N#CC1=C(N)N=C(Cl)C=N1 D79757 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.25 N#CC1=NC=C(N)N=C1Cl W17942 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 87902 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.25 NCC1=C(Br)C=C(F)C=N1 D79768 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.25 NCC1=NC=C(Br)C=C1Cl AT10811 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.25 NCC1=NC=C(Cl)C=C1F 24125 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 BL010274 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl H10986 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.30 CC1=C(C#N)N=C(Br)C=C1 86250 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.30 CC1=C(CCl)C=C(Cl)C=C1 AT13353 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.30 CC1=CN=C(Cl)C(C#N)=N1 BL010407 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.30 CC1=NC=C(Br)C=C1C#N D82435 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.30 CC1=NC=C(Cl)C=C1C#N 26673 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.30 CCC1=CC(=O)NN=C1Cl S11537 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.30 CCC1=CC(Cl)=NN=C1Cl S11033 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,1,0,0,0,0|0,0,0]=1 293 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.30 CNC1=C(N)C=CC(Cl)=N1 W11032 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.30 CNC1=CC(Br)=CN=C1N N10250 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.30 COC1=C(C)C=NC(Cl)=N1 83973 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.30 COC1=NC(Br)=CNC1=O C13693 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.30 CSC1=CC(Cl)=CN=C1Cl 79286 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.30 FC1=NC(CCl)=C(Br)C=C1 W17900 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.30 N#CC1=C(N)N=CC(Cl)=N1 36032 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.30 N#CC1=NC(Br)=CN=C1Br P13094 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.30 N#CC1=NC(F)=CN=C1F F12442 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 27388 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 C77004 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl P13243 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.30 OCC1=C(Br)C=CC(Br)=N1 AT15259 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.30 OCC1=C(Br)C=CC(Cl)=N1 24113 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.30 OCC1=C(F)C=CC(Br)=N1 79199 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.30 OCC1=CC(Cl)=CN=C1Br C71878 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.30 OCC1=CC(Cl)=CN=C1Cl 55139 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|1,0,1]=3 328 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,1,0,0,0,0|1,0,0]=2 340 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,1,0,0,0,0|1,0,0]=2 347 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.61 FC(F)C1=C(Br)C=CC=N1 C71751 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.61 NC1=C(C(F)F)C=CC=N1 C76895 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.245 CC1=CC=CC(Cl)=C1CN Y12256 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.245 CC1=CC=CC(F)=C1CO W16613 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.245 CC1=CC=CC(O)=C1CO C74535 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.245 CC1=CC=NC(C)=C1CO W18063 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.245 COC1=C(Cl)C=CN=C1N F51098 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.245 COC1=C(N)C=CN=C1Cl F17572 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.245 ClC1=CC=NC(Cl)=C1CBr 79158 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.245 OCC1=C(I)C=CN=C1F C73295 [0,1,0,0,0,0|3,0,0]=4 396 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,1,0,0|2,0,0]=3 397 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,0,0,1,0,0|2,0,0]=3 398 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,0,0,1,0,0|2,0,0]=3 399 B10R2.7 C1=CN=C2CNCC2=N1 50637 [0,0,0,1,0,0|1,0,0]=2 400 B10R2.7 C1=CN=C2NN=CC2=N1 27786 [0,0,0,1,0,0|2,0,1]=4 401 B10R2.7 C1=NC=C2CNCC2=N1 27191 [0,0,0,1,0,0|3,0,0]=4 402 B10R2.7 C1=NC=C2CNCC2=N1 83076 [0,0,0,1,0,0|3,0,0]=4 403 B10R2.7 C1=NC=C2CNCC2=N1 SC2921 [0,0,0,1,0,0|3,0,0]=4 404 B8R1.11 C=CC1=NC=CN1C D84862 [0,0,0,0,1,0|1,0,2]=4 405 B8R1.11 CC1=C(C#N)N=CN1 AC2082 [0,0,0,0,1,0|1,0,2]=4 406 B8R1.11 CC1=C(C#N)OC=N1 79144 [0,0,0,0,1,0|2,0,1]=4 407 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,0,0,0,1,0|2,0,1]=4 408 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,0,0,0,1,0|2,0,1]=4 409 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [0,0,0,0,1,0|2,0,0]=3 410 B8R1.11 CC1=C(CO)C=CO1 30727 [0,0,0,0,1,0|2,0,0]=3 411 B8R1.11 CC1=C(CO)C=NO1 72237 [0,0,0,0,1,0|3,0,0]=4 412 B8R1.11 CC1=C(CO)N=CO1 AT18595 [0,0,0,0,1,0|2,0,0]=3 413 B8R1.11 CC1=C(CO)N=NS1 73069 [0,0,0,0,1,0|3,0,0]=4 414 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,0,0,0,1,0|2,0,1]=4 415 B8R1.11 CC1=CNN=C1CN P17767 [0,0,0,0,1,0|2,0,0]=3 416 B8R1.11 CC1=CON=C1C=O W10337 [0,0,0,0,1,0|2,0,1]=4 417 B8R1.11 CC1=CON=C1CN AT25740 [0,0,0,0,1,0|2,0,0]=3 418 B8R1.11 CC1=CSC=C1CO 57803 [0,0,0,0,1,0|3,0,0]=4 419 B8R1.11 CC1=NOC=C1CN 72854 [0,0,0,0,1,0|2,0,0]=3 420 B8R1.11 CC1=NOC=C1CN N10525 [0,0,0,0,1,0|2,0,0]=3 421 B8R1.11 CC1=NON=C1CN 70844 [0,0,0,0,1,0|2,0,0]=3 422 B8R1.11 CC1=NSC=C1C#N 86911 [0,0,0,0,1,0|2,0,1]=4 423 B8R1.11 CCC1=C(C)N=CS1 60935 [0,0,0,0,1,0|1,0,0]=2 424 B8R1.11 CCC1=CNN=C1C AC8755 [0,0,0,0,1,0|1,0,0]=2 425 B8R1.11 CCC1=NNC=C1Br 98406 [0,0,0,0,1,0|2,0,0]=3 426 B8R1.11 CCN1C=CN=C1Br AT15593 [0,0,0,0,1,0|2,0,0]=3 427 B8R1.11 CN1C=CC=C1CN 88916 [0,0,0,0,1,0|3,0,0]=4 428 B8R1.11 CN1C=CC=C1CO D82110 [0,0,0,0,1,0|3,0,0]=4 429 B8R1.11 CN1C=CN=C1C#N 38081 [0,0,0,0,1,0|2,0,1]=4 430 B8R1.11 CN1N=CC=C1C#N 71861 [0,0,0,0,1,0|2,0,1]=4 431 B8R1.11 CN1N=CC=C1CCl 31784 [0,0,0,0,1,0|2,0,0]=3 432 B8R1.11 CN1N=CC=C1CN AC1023 [0,0,0,0,1,0|2,0,0]=3 433 B8R1.11 CN1N=CN=C1C=O 97733 [0,0,0,0,1,0|2,0,1]=4 434 B8R1.11 CN1N=CN=C1CCl D93361 [0,0,0,0,1,0|2,0,0]=3 435 B8R1.11 CN1N=NN=C1CO AC1024 [0,0,0,0,1,0|3,0,0]=4 436 B8R1.11 COC1=NNC=C1I F16206 [0,0,0,0,1,0|3,0,0]=4 437 B8R1.11 COC1=NON=C1N F20171 [0,0,0,0,1,0|3,0,0]=4 438 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,0,0,0,1,0|3,0,0]=4 439 B8R1.11 NC1=C(CO)SC=C1 70866 [0,0,0,0,1,0|3,0,0]=4 440 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,0,0,0,1,0|3,0,0]=4 441 B8R1.11 OCC1=C(Br)N=CS1 26511 [0,0,0,0,1,0|3,0,0]=4 442 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|1,0,0]=3 443 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [1,1,0,0,0,0|0,0,2]=4 448 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|0,0,0]=2 459 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|0,0,0]=2 504 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 COC1=NC(N)=CN=C1 24364 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,1,0,0,0,0|0,0,0]=2 555 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,1,0,0,0,0|0,0,0]=2 561 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,1,0,0,0,0|0,0,1]=3 566 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|0,0,0]=2 568 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.8 NNCC1=CC=CN=C1 78930 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.8 NNCC1=NC=CC=C1 78929 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.8 OCCC1=CN=CN=C1 27368 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.3 CC1=C(Br)C=CN=C1Cl 27325 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.3 CC1=C(Br)C=CN=C1N S10229 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.3 CC1=C(C)C(Br)=NC=C1 N10835 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.3 CC1=C(C)C(Cl)=NC=N1 H10268 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.3 CC1=C(C)C(N)=NC=C1 Y10702 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.3 CC1=C(C)C(N)=NC=N1 C75559 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.3 CC1=C(Cl)C=CN=C1Br P17567 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.3 CC1=C(Cl)C=CN=C1N C71886 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.3 CC1=C(F)C=CN=C1N D70937 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.3 CC1=NC=CC(Br)=C1Cl AC1900 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.3 CC1=NC=CC(Br)=C1F O11181 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.3 CC1=NC=CC(Br)=C1F S12180 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.3 CC1=NC=CC(Br)=C1N F15057 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.3 CC1=NC=CC(Cl)=C1F C71651 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.3 CC1=NC=CC(N)=C1N 26933 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.3 CC1=NC=CC(O)=C1C 89362 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [1,1,0,0,0,0|0,0,0]=2 594 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [1,1,0,0,0,0|0,0,0]=2 595 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [1,1,0,0,0,0|0,0,0]=2 598 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.69 CC1=CC(=O)NN=C1C P11942 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.69 CC1=CC(Br)=CN=C1I I11229 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.69 CC1=CC(Cl)=NN=C1C 24353 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.69 CC1=CC(F)=CN=C1N 27788 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.69 CC1=CC(I)=CN=C1Cl I10138 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.69 CC1=CC(I)=CN=C1F A10643 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.69 CC1=CC(O)=CN=C1C W19117 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.69 CC1=CC(O)=CN=C1N 72099 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.69 CC1=CC=C(N)N=C1N N13200 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [1,1,0,0,0,0|1,0,0]=3 624 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.69 CC1=NC=C(F)C=C1N D96784 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 I10188 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.69 ClC1=NC(Br)=CN=C1Br I11306 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 26529 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.69 NC1=C(N)N=C(Cl)C=N1 N13199 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.69 NC1=C(S)N=CC(Cl)=N1 92331 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.69 NC1=C([S-])N=CC(Cl)=N1 AT21629 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.69 NC1=CN=C(Br)C(Br)=N1 C72407 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.69 NC1=CN=C(I)C(Cl)=N1 W15257 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.69 NC1=NC(Cl)=CN=C1Cl C10162 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.69 NC1=NC=C(Br)N=C1I F16396 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.69 OC1=CN=C(Br)C(Cl)=N1 P18868 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.14 OCC1=C(CO)SC=C1 W18906 [0,1,0,0,1,0|2,0,0]=4 645 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,1,0|2,0,0]=4 647 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,1,0,0,1,0|2,0,0]=4 650 B9R1.22 CSC1=CC(N)=NN1C W11026 [0,1,0,0,1,0|2,0,0]=4 651 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [0,1,0,0,1,0|2,0,0]=4 652 B9R1.27 CCC1=C(Br)C=NN1C P19807 [0,1,0,0,1,0|1,0,0]=3 653 B9R1.27 CCN1C(=O)NN=C1C C75756 [0,1,0,0,1,0|2,0,0]=4 654 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,1,0,0,1,0|1,0,0]=3 655 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,1,0,0,1,0|1,0,0]=3 656 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,1,0,0,1,0|1,0,0]=3 657 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,1,0,0,1,0|1,0,0]=3 658 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,0,1,0|2,0,0]=4 659 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,0,1,0|2,0,0]=4 660 B9R1.33 CN1C=CN=C1CCCl D79294 [0,1,0,0,1,0|1,0,0]=3 661 B9R1.33 CN1C=CN=C1CNN 72909 [0,1,0,0,1,0|2,0,0]=4 662 B9R1.33 CN1N=CC=C1CC#N 79645 [0,1,0,0,1,0|1,0,1]=4 663 B9R1.33 CNCC1=CC=NN1C AT14309 [0,1,0,0,1,0|1,0,0]=3 664 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,0,1,0|1,0,1]=4 665 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,0,1,0|1,0,1]=4 666 B9R1.41 CC(C)C1=CNN=C1N 82145 [0,1,0,0,1,0|2,0,0]=4 667 B9R1.41 CC(C)C1=NNC=C1Br 39129 [0,1,0,0,1,0|2,0,0]=4 668 B9R1.41 CC(C)N1C=CN=C1Cl 24217 [0,1,0,0,1,0|2,0,0]=4 669 B9R1.41 CC1=NNC=C1[C@H](C)O 72728 [0,1,0,0,1,0|1,0,0]=3 670 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,1,0,0,1,0|1,0,1]=4 671 B9R1.132 CCN1N=CC(N)=C1C D79758 [0,1,0,0,1,0|1,0,0]=3 672 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,1,0,0,1,0|2,0,0]=4 673 B11R1.72 COC1=C(C)N=CC(Br)=C1O W11207 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 60023 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C Y11914 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C Y12440 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.265 CCC1=C(SC)N=CN=C1Cl W16886 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.265 COC1=NC=CC(O)=C1OC W10568 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.267 COC1=C(C)C(CO)=NC=C1 C76823 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C72854 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.278 CC1=CN=C(CO)C(C)=C1O D80824 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.81 CCOC1=C(C)N=C(N)C=C1 O11421 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.81 CCOC1=C(F)C=C(N)C=N1 26695 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.81 COCC1=CC=C(Cl)N=C1Cl W10447 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.182 CCOC1=C(Br)C=CC(Cl)=N1 D83089 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 25162 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 D80185 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.37 COC1=C(CN)C=CC(Br)=N1 N10742 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y11170 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.37 COC1=NC=C(Br)C=C1CO P11193 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.37 OCC1=C(CO)N=C(Cl)C=C1 N12730 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.37 OCC1=CC(Br)=CN=C1CO F30570 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 39100 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.53 CCC1=C(B(O)O)C=CC=N1 FD10096 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,2,0,0,0,0|1,0,1]=4 733 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52750 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 F16921 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 N10418 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10162 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10512 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=N1 D81046 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.53 OCC1=CC=CN=C1C(F)F D80251 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10861 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10895 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11476 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11477 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.166 CC1=CC(N)=CN=C1C(F)F D93755 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.277 CC1=NC(C)=C(C)N=C1CBr S11280 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.277 CCC1=NC(C)=C(C)N=C1C C73333 [0,2,0,0,0,0|0,0,0]=2 766 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.464 COC1=C(C)N=C(Cl)C=C1Cl P11221 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|0,0,1]=3 773 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12032 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12589 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12591 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N13078 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|1,0,1]=4 779 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13442 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13443 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13444 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.280 CC1=C(CO)C=C(C#N)C=N1 D80262 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.280 CNC1=NC(CN)=CC=C1C 72583 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.87 NC1=NC=CN=C1C(F)(F)F F12196 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 20079 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 20081 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N D80841 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N F16983 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N Y11055 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.156 C[C@H](O)C1=C(Cl)C=CN=C1Cl W19569 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,0,1,1,0,0|2,0,0]=4 792 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,0,1,1,0,0|2,0,0]=4 793 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,0,0,1,1,0|2,0,0]=4 794 B9R2.3 C1=NN2CCCC2=C1 O11325 [0,0,0,1,1,0|1,0,0]=3 795 B9R2.3 C1=NN2CCCC2=N1 F30286 [0,0,0,1,1,0|1,0,0]=3 796 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,0,0,1,1,0|2,0,0]=4 797 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [0,1,0,1,0,0|2,0,0]=4 798 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,1,0,1,0,0|2,0,0]=4 799 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [0,1,0,1,0,0|1,0,0]=3 800 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [0,1,0,1,0,0|2,0,0]=4 801 B11R2.106 ClC1=NC=CC2=C1CCN2 38710 [0,1,0,1,0,0|2,0,0]=4 802 B11R2.106 ClC1=NC=CC2=C1CCN2 83058 [0,1,0,1,0,0|2,0,0]=4 803 B11R2.106 ClC1=NC=CC2=C1CNC2 D97048 [0,1,0,1,0,0|2,0,0]=4 804 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [0,1,0,1,0,0|2,0,0]=4 805 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [0,1,0,1,0,0|2,0,0]=4 806 B11R2.106 IC1=C2CCNC2=NC=C1 P20936 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.106 IC1=C2CCOC2=NC=C1 P16092 [0,1,0,1,0,0|2,0,0]=4 808 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [0,1,0,1,0,0|1,0,0]=3 809 B11R2.106 NC1=C2CCOC2=NC=C1 97229 [0,1,0,1,0,0|2,0,0]=4 810 B11R2.106 O=C1NC=NC2=C1CCC2 25765 [0,1,0,1,0,0|2,0,0]=4 811 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,1,0,1,0,0|2,0,0]=4 812 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,1,0,1,0,0|2,0,0]=4 813 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,1,0,1,0,0|1,0,0]=3 814 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [0,1,0,1,0,0|1,0,0]=3 815 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,1,0,1,0,0|1,0,0]=3 816 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [0,1,0,1,0,0|2,0,0]=4 817 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [0,1,0,1,0,0|2,0,0]=4 818 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [0,1,0,1,0,0|2,0,0]=4 819 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [0,1,0,1,0,0|2,0,0]=4 820 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [0,1,0,1,0,0|2,0,0]=4 822 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [0,1,0,1,0,0|2,0,0]=4 824 B11R2.55 BrC1=NC=CC=C1C2CC2 O10674 [0,1,0,1,0,0|2,0,0]=4 825 B11R2.55 ClC1=NC=CC=C1C2CC2 C76816 [0,1,0,1,0,0|2,0,0]=4 826 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [0,1,0,1,0,0|1,0,0]=3 827 B11R2.55 FC1=NC=CC=C1C2CC2 F16374 [0,1,0,1,0,0|2,0,0]=4 828 B11R2.55 NC1=NC=CC=C1C2CC2 92679 [0,1,0,1,0,0|2,0,0]=4 829 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,1,0,1,0,0|1,0,1]=4 830 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,1,0,1,0,0|2,0,0]=4 831 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,1,0,1,0,0|2,0,0]=4 832 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,1,0,1,0,0|2,0,0]=4 833 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,1,0,1,0,0|1,0,0]=3 834 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,1,0,1,0,0|1,0,0]=3 835 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,1,0,1,0,0|1,0,0]=3 836 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,1,0,0|1,0,1]=4 837 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,1,0,0|1,0,1]=4 838 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,1,0,1,0,0|2,0,0]=4 839 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,1,0,1,0,0|1,0,0]=3 840 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,1,0,1,0,0|1,0,0]=3 841 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,1,0,1,0,0|1,0,0]=3 842 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,1,0,1,0,0|1,0,0]=3 843 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,1,0,1,0,0|1,0,0]=3 844 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,1,0,1,0,0|2,0,0]=4 845 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,1,0,1,0,0|2,0,0]=4 846 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,1,0,1,0,0|1,0,0]=3 847 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,1,0,1,0,0|2,0,0]=4 848 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,1,0,1,0,0|2,0,0]=4 849 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,1,0,1,0,0|2,0,0]=4 850 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,1,0,1,0,0|2,0,0]=4 851 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,1,0,1,0,0|2,0,0]=4 852 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,1,0,1,0,0|2,0,0]=4 853 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,1,0,1,0,0|2,0,0]=4 854 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [0,1,0,1,0,0|2,0,0]=4 855 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [0,1,0,1,0,0|2,0,0]=4 856 B11R2.36 ClC1=NC2=C(C=N1)CCC2 P18611 [0,1,0,1,0,0|2,0,0]=4 857 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [0,1,0,1,0,0|2,0,0]=4 858 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,1,0,1,0,0|2,0,0]=4 859 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,1,0|2,0,0]=4 861 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,1,0|2,0,0]=4 862 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,1,0|2,0,0]=4 863 B7R1.1 BrCC1=CON=C1 95088 [1,0,0,0,1,0|2,0,0]=4 864 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,1,0|2,0,0]=4 866 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,1,0|2,0,0]=4 868 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|1,0,0]=3 869 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,1,0|1,0,0]=3 871 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 874 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,1,0|2,0,0]=4 877 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 878 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,1,0|1,0,1]=4 879 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,1,0|2,0,0]=4 880 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|1,0,1]=4 881 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 882 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,1,0|2,0,0]=4 883 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,1,0|2,0,0]=4 884 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,1,0|2,0,0]=4 885 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,1,0|2,0,0]=4 886 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,1,0|2,0,0]=4 887 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,1,0|2,0,0]=4 888 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|1,0,1]=4 889 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|2,0,0]=4 890 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|2,0,0]=4 891 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|2,0,0]=4 892 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|1,0,1]=4 893 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|1,0,1]=4 894 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|2,0,0]=4 895 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|2,0,0]=4 896 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|2,0,0]=4 898 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|2,0,0]=4 899 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|2,0,0]=4 900 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|1,0,1]=4 901 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|2,0,0]=4 902 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,1,0|2,0,0]=4 903 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|2,0,0]=4 904 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,1,0|2,0,0]=4 905 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,1,0|2,0,0]=4 906 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,1,0|2,0,0]=4 907 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,1,0|2,0,0]=4 908 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,1,0|2,0,0]=4 909 B7R1.1 OCC1=NNC=N1 83468 [1,0,0,0,1,0|2,0,0]=4 910 B7R1.1 OCC1=NNC=N1 F53081 [1,0,0,0,1,0|2,0,0]=4 911 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,1,0|2,0,0]=4 912 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,0,1,0|0,0,1]=3 913 B7R1.4 CC1=C(C)NC=N1 SC3541 [1,0,0,0,1,0|0,0,1]=3 914 B7R1.4 CC1=C(Cl)NC=N1 P16604 [1,0,0,0,1,0|1,0,1]=4 915 B7R1.4 CC1=C(N)N=CN1 31730 [1,0,0,0,1,0|1,0,1]=4 916 B7R1.4 CC1=C(N)SC=N1 P18586 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.4 CC1=CNN=C1N 52526 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.4 CC1=CON=C1N 72247 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.4 CC1=NOC=C1N O11036 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.4 CC1=NON=C1N F14552 [1,0,0,0,1,0|2,0,0]=4 921 B7R1.4 CC1=NSC=C1Br 20343 [1,0,0,0,1,0|2,0,0]=4 922 B7R1.4 CC1=NSC=C1N 75880 [1,0,0,0,1,0|2,0,0]=4 923 B7R1.4 CN1C=CN=C1I 23828 [1,0,0,0,1,0|2,0,0]=4