0 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CNCC1=CN=NC=C1 P16258 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 N#CCC1=CN=NC=C1 37056 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.8 N#CCC1=NC=CC=N1 37061 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 NNCC1=CC=CN=C1 78930 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 NNCC1=CC=NC=C1 37009 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 NNCC1=CN=CN=C1 37093 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.8 NNCC1=NC=CC=C1 78929 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 NNCC1=NC=CN=C1 37235 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.8 OCCC1=CN=CN=C1 27368 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 BrCC1=CN=CN=C1 O11299 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 BrCC1=NC=NC=C1 Y10744 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|0,0,0]=1 38 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 NCC1=CC=NC=C1 35876 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 NCC1=CN=CN=C1 26963 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 NCC1=CN=NC=C1 27223 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 NCC1=CN=NC=C1 36975 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 NNC1=CN=CN=C1 AT18412 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 NNC1=NC=NC=C1 N12626 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 SCC1=CC=NC=C1 F18336 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.1 N#CCC1=CN=C(Br)C=C1 AB10135 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.1 N#CCC1=CN=C(F)C=C1 93599 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.1 N#CCC1=NC=C(N)C=C1 W17291 [0,1,0,0,0,0|1,0,2]=4 70 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.4 N#CCC1=C(Br)C=CC=N1 P10900 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.4 N#CCC1=C(Cl)C=NC=C1 AC8798 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.4 N#CCC1=C(F)C=CC=N1 O10465 [0,1,0,0,0,0|1,0,2]=4 91 B10R1.4 N#CCC1=C(N)N=CC=C1 D81373 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.4 N#CCC1=CC=CN=C1Br C71752 [0,1,0,0,0,0|1,0,2]=4 94 B10R1.4 N#CCC1=NC=CC=C1N C71092 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.10 N#CCC1=CC(Br)=CN=C1 69670 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.10 N#CCC1=CC(Br)=NC=C1 81694 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.10 N#CCC1=CC(Cl)=NC=C1 81695 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.10 N#CCC1=CC(F)=CN=C1 39148 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.10 N#CCC1=CC=CC(F)=N1 W13471 [0,1,0,0,0,0|1,0,2]=4 127 B10R1.10 N#CCC1=NC=CC(Br)=C1 O10478 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.10 N#CCC1=NC=CC(F)=C1 C71012 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,0|0,0,0]=1 165 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,1,0,0,0,0|0,0,1]=2 189 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.17 NCCNC1=NC=CC=N1 C72507 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.17 OCC#CC1=CC=NC=C1 31862 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,1,0,0,0,0|0,0,1]=2 199 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,1,0,0,0,0|1,0,2]=4 200 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,1,0,0,0,0|0,0,1]=2 205 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,1,0,0,0,0|0,0,1]=2 207 B10R2.7 C1=CC2=C(C=C1)SN=N2 C74419 [0,0,0,1,0,0|2,0,1]=4 208 B10R2.7 C1=CC2=C(C=N1)C=NN2 CL3489 [0,0,0,1,0,0|2,0,1]=4 209 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [0,0,0,1,0,0|1,0,0]=2 210 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [0,0,0,1,0,0|3,0,0]=4 211 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [0,0,0,1,0,0|3,0,0]=4 212 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [0,0,0,1,0,0|1,0,0]=2 213 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [0,0,0,1,0,0|1,0,0]=2 214 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [0,0,0,1,0,0|1,0,2]=4 215 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T70699 [0,0,0,1,0,0|2,0,1]=4 216 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [0,0,0,1,0,0|2,0,1]=4 217 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,1,0,0|1,0,0]=2 218 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,0,0,1,0,0|3,0,0]=4 219 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,0,0,1,0,0|3,0,0]=4 220 B10R2.7 C1=CN=C2N=NNC2=C1 I10125 [0,0,0,1,0,0|3,0,0]=4 221 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,0|1,0,1]=3 222 B8R1.8 BrCCC1=CSC=C1 F20032 [0,0,0,0,1,0|2,0,0]=3 223 B8R1.8 BrCCN1C=CC=N1 71462 [0,0,0,0,1,0|3,0,0]=4 224 B8R1.8 CCCC1=NNC=C1 C16284 [0,0,0,0,1,0|3,0,0]=4 225 B8R1.8 CNCC1=COC=C1 AC5678 [0,0,0,0,1,0|3,0,0]=4 226 B8R1.8 ClCCC1=CNN=C1 D95803 [0,0,0,0,1,0|3,0,0]=4 227 B8R1.8 ClCCN1C=CN=C1 70870 [0,0,0,0,1,0|3,0,0]=4 228 B8R1.8 NCCC1=CC=CN1 31556 [0,0,0,0,1,0|1,0,0]=2 229 B8R1.8 NCCC1=CC=CN1 F10331 [0,0,0,0,1,0|1,0,0]=2 230 B8R1.8 NCCC1=CSC=C1 P10092 [0,0,0,0,1,0|1,0,0]=2 231 B8R1.8 NCCC1=NC=CN1 F18351 [0,0,0,0,1,0|2,0,0]=3 232 B8R1.8 NCCC1=NC=CS1 70863 [0,0,0,0,1,0|2,0,0]=3 233 B8R1.8 NCCC1=NN=CS1 38315 [0,0,0,0,1,0|3,0,0]=4 234 B8R1.8 NCCC1=NNC=C1 AC1362 [0,0,0,0,1,0|2,0,0]=3 235 B8R1.8 NCCN1C=CC=N1 28356 [0,0,0,0,1,0|2,0,0]=3 236 B8R1.8 NCCN1C=CN=C1 30762 [0,0,0,0,1,0|2,0,0]=3 237 B8R1.8 NCCN1C=CN=N1 W15879 [0,0,0,0,1,0|3,0,0]=4 238 B8R1.8 NCCN1C=CN=N1 W19436 [0,0,0,0,1,0|3,0,0]=4 239 B8R1.8 NCCN1C=NC=N1 28092 [0,0,0,0,1,0|3,0,0]=4 240 B8R1.8 NCCN1C=NN=C1 AC1420 [0,0,0,0,1,0|3,0,0]=4 241 B8R1.8 NCCN1N=CC=N1 W16247 [0,0,0,0,1,0|3,0,0]=4 242 B8R1.8 OCCC1=CC=CN1 AB10351 [0,0,0,0,1,0|2,0,0]=3 243 B8R1.8 OCCC1=CC=CO1 W10532 [0,0,0,0,1,0|2,0,0]=3 244 B8R1.8 OCCC1=COC=C1 D93026 [0,0,0,0,1,0|2,0,0]=3 245 B8R1.8 OCCC1=NNC=C1 22974 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.3 NC1=CC=CC=C1 T70935 [2,0,0,0,0,0|0,0,0]=2 248 B7R1.3 NC1=CC=CC=C1 T71037 [2,0,0,0,0,0|0,0,0]=2 249 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,1,0,0,0,0|0,0,2]=4 251 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.1 CC1=CN=C(CN)N=C1 38455 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.1 CC1=CN=C(CN)N=C1 72570 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.1 CC1=NC=C(CN)C=N1 81411 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,0]=3 264 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,1,0,0,0,0|0,0,2]=4 285 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,1,0,0,0,0|0,0,0]=2 286 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.1 NCC1=CN=C(N)N=C1 82158 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.1 NCC1=NC=C(Br)C=N1 C73142 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.1 NCC1=NC=C(Br)C=N1 CS1737 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.1 NCC1=NC=C(Br)C=N1 P15263 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.1 NCC1=NC=C(Cl)C=N1 F31001 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.1 NCC1=NC=C(F)C=N1 P11643 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.1 NNC1=CN=C(F)C=C1 73802 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,1,0,0,0,0|0,0,2]=4 309 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 CC1=CC=NC(CN)=N1 72797 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 CC1=NC=CC(CN)=C1 72809 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.2 CNC1=CC(N)=CC=C1 36494 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.2 COC1=CC(=O)NC=C1 25837 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.2 NC1=CC=CC(CF)=C1 32172 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.2 NCC1=CC(F)=NC=C1 73765 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.2 NCC1=CC=CC(=O)N1 78897 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.2 NNC1=CC(O)=NC=C1 W16830 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 O=C1C=C(CO)C=CN1 37365 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,1,0,0,0,0|0,0,0]=2 374 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,1,0,0,0,0|0,0,2]=4 399 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.15 CC1=CC=CN=C1CN C72913 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.15 CC1=NC=CC=C1CN 72802 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|0,0,0]=2 412 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.15 CCC1=CC=NN=C1Cl S11385 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.15 CCC1=CC=NNC1=O S11452 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 COC1=C(O)C=NC=C1 79066 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.15 NCC1=C(F)C=NC=C1 26837 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.15 NCC1=C(F)C=NC=C1 78901 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.15 NCC1=CC=CN=C1N 89358 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.15 NCC1=CC=CN=C1O 55767 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.15 NNC1=C(Br)C=NC=C1 C13755 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.15 O=C1NC=CC=C1CO P16012 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,1,0|1,0,0]=3 472 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,1,0,0,1,0|1,0,0]=3 476 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,1,0,0,1,0|2,0,0]=4 479 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,1,0,0,1,0|2,0,0]=4 480 B9R1.12 CCNCC1=CC=CO1 C77903 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.12 COCCN1C=CC=C1 W16108 [0,1,0,0,1,0|2,0,0]=4 482 B9R1.12 NCCCC1=NC=CN1 F10427 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.12 OCCCC1=CSC=C1 32572 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,1,0,0,1,0|2,0,0]=4 486 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,0,1,0|2,0,0]=4 488 B9R1.33 CN1C=NC=C1CCN 70377 [0,1,0,0,1,0|2,0,0]=4 489 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 W16039 [0,2,0,0,0,0|1,0,1]=4 490 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,2,0,0,0,0|0,0,0]=2 501 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,2,0,0,0,0|0,0,1]=3 505 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,2,0,0,0,0|0,0,0]=2 506 B11R1.1 NCCNC1=NC=C(Br)C=C1 52009 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.1 OCCNC1=NC=C(F)C=C1 W16644 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,2,0,0,0,0|0,0,0]=2 516 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,2,0,0,0,0|0,0,0]=2 517 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,2,0,0,0,0|0,0,0]=2 518 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,2,0,0,0,0|0,0,0]=2 519 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,2,0,0,0,0|0,0,0]=2 520 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,2,0,0,0,0|0,0,0]=2 521 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,2,0,0,0,0|0,0,0]=2 522 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,2,0,0,0,0|0,0,0]=2 523 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,2,0,0,0,0|0,0,1]=3 526 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 D81372 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15256 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,2,0,0,0,0|0,0,0]=2 569 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [0,2,0,0,0,0|0,0,2]=4 570 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,2,0,0,0,0|0,0,0]=2 571 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,2,0,0,0,0|1,0,1]=4 602 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C75445 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.81 CCOC1=C(F)C=C(O)C=C1 36938 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.81 COCC1=C(Br)C=C(F)C=C1 N11828 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.81 COCC1=C(F)C=C(N)C=C1 I10129 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.81 COCC1=C(N)C=C(Br)C=C1 CL9392 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 O10665 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.81 ClC1=CC(Cl)=C(CCBr)C=C1 C77752 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.81 O=C1C=C(Br)C=CN1CCF D96693 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.81 OCCC1=C(Cl)C=C(Br)C=C1 F50644 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 CL8845 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.83 CNCC1=CC=C(C#N)C=C1 C74766 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.83 COC1=NC=C(CCN)C=C1 72625 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.83 N#CC1=CC=C(CCBr)C=C1 26978 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.83 N#CC1=CC=C(CCO)C=C1 30197 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [0,2,0,0,0,0|0,0,0]=2 624 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.192 CC1=C(Br)C=CC(CC#N)=C1 AB8407 [0,2,0,0,0,0|0,0,2]=4 627 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [0,2,0,0,0,0|0,0,0]=2 628 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 75825 [0,2,0,0,0,0|0,0,2]=4 629 B11R1.192 CC1=C(F)C=CC(CCO)=N1 P19192 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 A12131 [0,2,0,0,0,0|1,0,0]=3 631 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 AB1379 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.192 CNCC1=CC(F)=C(F)C=C1 36786 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.192 COCC1=CC(Br)=C(F)C=C1 N10448 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.192 COCC1=CC(N)=C(Br)C=C1 CL9396 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [0,2,0,0,0,0|0,0,2]=4 638 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 D79909 [0,2,0,0,0,0|0,0,0]=2 639 B11R1.192 OCCC1=CC(F)=C(F)C=C1 CL9076 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.13 CC1=C(Br)C=CC=C1CC#N CL9699 [0,2,0,0,0,0|0,0,2]=4 642 B11R1.13 CC1=C(F)C=CC=C1CC#N 22476 [0,2,0,0,0,0|0,0,2]=4 643 B11R1.13 CC1=C(I)C=CC=C1CC#N CL9701 [0,2,0,0,0,0|0,0,2]=4 644 B11R1.13 CCNC1=CC=CC(Cl)=C1Cl AB1375 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.13 CNCC1=CC=CC(Cl)=C1Cl 23580 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.13 CNCC1=CC=CC(Cl)=C1F 36790 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.13 CNCC1=CC=CC(Cl)=C1F 76700 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.13 CNCC1=CC=CC(F)=C1F AC1201 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.13 COCC1=CC=CC(Br)=C1F 79640 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.13 NCCC1=CC=CC(F)=C1F Y13621 [0,2,0,0,0,0|0,0,0]=2 653 B11R1.13 OCCC1=CC=CC(F)=C1F A11216 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [0,2,0,0,0,0|1,0,1]=4 655 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,2,0,0,0,0|0,0,0]=2 665 B11R1.17 NCCCN1C=CC=CC1=O F15206 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [0,2,0,0,0,0|0,0,0]=2 673 B11R1.41 COC1=C(CCN)C=CN=C1 F13309 [0,2,0,0,0,0|1,0,0]=3 674 B11R1.41 COC1=C(CCN)C=CN=C1 W19534 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.41 N#CC1=C(CCBr)C=CC=C1 C71089 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.41 N#CCC1=C(CBr)C=CC=C1 C76332 [0,2,0,0,0,0|0,0,2]=4 679 B11R1.41 N#CCC1=C(CCl)C=CC=C1 75268 [0,2,0,0,0,0|0,0,2]=4 680 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [0,2,0,0,0,0|0,0,0]=2 682 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.182 C=CCC1=C(O)C=CC(C)=C1 D96076 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.182 COCC1=C(F)C=CC(Br)=C1 N10199 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.182 COCC1=C(N)C=CC(N)=C1 C74735 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.182 OCCC1=C(F)C=CC(F)=C1 A50721 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [0,2,0,0,0,0|0,0,0]=2 719 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 C73732 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl AB1378 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl 23581 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,2,0,0,0,0|1,0,1]=4 739 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [0,2,0,0,0,0|0,0,0]=2 776 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,2,0,0,0,0|0,0,0]=2 777 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,2,0,0,0,0|0,0,0]=2 798 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,2,0,0,0,0|1,0,0]=3 803 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,2,0,0,0,0|0,0,0]=2 804 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 BL006488 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.34 CCCC1=CC(F)=CC(F)=C1 T70464 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 77974 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 N16813 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.34 CNCC1=CC(F)=CC(F)=C1 36789 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 C78634 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 60096 [0,2,0,0,0,0|0,0,2]=4 815 B11R1.34 N#CCC1=CC(Br)=CC(Cl)=C1 35726 [0,2,0,0,0,0|0,0,2]=4 816 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 CK1128 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.34 OCCC1=CC(F)=CC(F)=C1 35629 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.34 SCCC1=CC(Cl)=CC(Cl)=C1 F50628 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [0,2,0,0,0,0|0,0,0]=2 823 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [0,2,0,0,0,0|0,0,0]=2 824 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,2,0,0,0,0|1,0,0]=3 825 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.157 FC1=CC(OC(F)F)=CC=C1 79106 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,2,0,0,0,0|0,0,1]=3 829 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,2,0,0,0,0|0,0,1]=3 830 B11R1.157 OC1=CC=CC(OC(F)F)=C1 CL8486 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.189 CNCC1=CC=CC(C#N)=C1 C77059 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.189 COC1=CN=CC(CCN)=C1 W10141 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.189 COC1=NC(CCN)=CC=C1 73037 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.189 COC1=NC=CC(CCN)=C1 W10138 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.189 COCC1=CC(CN)=CC=C1 O10066 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.189 COCC1=CC=CC(C=O)=C1 Y14420 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.189 N#CC1=CC(CNN)=CC=C1 D95131 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.189 N#CC1=CC=CC(CCO)=C1 72018 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.7 CC(C)(CN)C1=NC=CC=C1 D83381 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.7 NCC(F)(F)C1=CC=CC=C1 P11064 [0,2,0,0,0,0|0,0,0]=2 844 B11R1.7 NCC(F)(F)C1=NC=CC=C1 C11454 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P10677 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P19948 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.7 OCC(F)(F)C1=NC=CC=C1 37503 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,2,0,0,0,0|0,0,0]=2 850 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,2,0,0,0,0|0,0,0]=2 863 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,2,0,0,0,0|0,0,1]=3 865 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,2,0,0,0,0|0,0,1]=3 880 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.28 C#CCNCC1=CC=CN=C1 W16054 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,2,0,0,0,0|1,0,1]=4 887 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,2,0,0,0,0|0,0,0]=2 891 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,2,0,0,0,0|0,0,1]=3 893 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,2,0,0,0,0|0,0,0]=2 894 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,2,0,0,0,0|0,0,0]=2 895 B11R1.28 NCCSSC1=NC=CC=C1 29042 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,2,0,0,0,0|0,0,0]=2 900 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,2,0,0,0,0|1,0,1]=4 902 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,2,0,0,0,0|0,0,2]=4 903 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,2,0,0,0,0|0,0,0]=2 904 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,2,0,0,0,0|0,0,0]=2 905 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,2,0,0,0,0|0,0,1]=3 906 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,2,0,0,0,0|0,0,1]=3 907 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,2,0,0,0,0|0,0,1]=3 911 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,2,0,0,0,0|1,0,1]=4 913 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,2,0,0,0,0|0,0,0]=2 915 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,2,0,0,0,0|0,0,1]=3 918 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,2,0,0,0,0|0,0,1]=3 920 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 F53446 [0,2,0,0,0,0|2,0,0]=4 922 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,0,0,1,1,0|2,0,0]=4 923 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,1,0,1,0,0|2,0,0]=4 924 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [0,1,0,1,0,0|2,0,0]=4 925 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [0,1,0,1,0,0|2,0,0]=4 926 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [0,1,0,1,0,0|1,0,0]=3 927 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [0,1,0,1,0,0|1,0,0]=3 928 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,1,0,1,0,0|2,0,0]=4 929 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [0,1,0,1,0,0|2,0,0]=4 930 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,1,0,1,0,0|2,0,0]=4 931 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,1,0,1,0,0|1,0,0]=3 932 B11R2.36 BrC1=CC2=C(C=C1)CCN2 73495 [0,1,0,1,0,0|0,0,0]=2 933 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [0,1,0,1,0,0|2,0,0]=4 934 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,1,0,1,0,0|2,0,0]=4 935 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,1,0,1,0,0|1,0,0]=3 936 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,1,0,1,0,0|1,0,0]=3 937 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [0,1,0,1,0,0|1,0,1]=4 938 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,1,0,1,0,0|1,0,0]=3 939 B11R2.36 ClC1=CC2=C(C=C1)CCN2 F11859 [0,1,0,1,0,0|0,0,0]=2 940 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [0,1,0,1,0,0|2,0,0]=4 941 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [0,1,0,1,0,0|1,0,0]=3 942 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [0,1,0,1,0,0|1,0,1]=4 943 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,1,0,1,0,0|1,0,0]=3 944 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,1,0,1,0,0|2,0,0]=4 945 B11R2.36 ClC1=NC2=C(C=N1)CCN2 D84325 [0,1,0,1,0,0|2,0,0]=4 946 B11R2.36 ClC1=NC=C2CCNC2=C1 87198 [0,1,0,1,0,0|1,0,0]=3 947 B11R2.36 ClC1=NC=C2NCCC2=C1 F18600 [0,1,0,1,0,0|1,0,0]=3 948 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [0,1,0,1,0,0|0,0,0]=2 949 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [0,1,0,1,0,0|1,0,0]=3 950 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [0,1,0,1,0,0|2,0,0]=4 951 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [0,1,0,1,0,0|2,0,0]=4 952 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,1,0,1,0,0|1,0,0]=3 953 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [0,1,0,1,0,0|1,0,0]=3 954 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [0,1,0,1,0,0|2,0,0]=4 955 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [0,1,0,1,0,0|2,0,0]=4 956 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [0,1,0,1,0,0|2,0,0]=4 957 B11R2.36 OC1=CC2=C(C=C1)CCN2 C75271 [0,1,0,1,0,0|0,0,0]=2 958 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [0,1,0,1,0,0|1,0,0]=3 959 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [0,1,0,1,0,0|2,0,0]=4 960 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [0,1,0,1,0,0|2,0,0]=4 961 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [0,1,0,1,0,0|2,0,0]=4 962 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [0,1,0,1,0,0|1,0,0]=3 963 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,1,0,1,0,0|0,0,0]=2 964 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,1,0,1,0,0|0,0,0]=2 965 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,1,0,1,0,0|0,0,2]=4 966 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,1,0,1,0,0|0,0,2]=4 967 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,1,0,1,0,0|0,0,2]=4 968 B11R2.10 NN1N=C2C=CC=CC2=N1 T70369 [0,1,0,1,0,0|2,0,0]=4 969 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,1,0,1,0,0|1,0,1]=4 970 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,1,0,1,0,0|0,0,1]=3 971 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,1,0,1,0,0|1,0,1]=4 972 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [0,1,0,1,0,0|1,0,0]=3 973 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [0,1,0,1,0,0|1,0,0]=3 974 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [0,1,0,1,0,0|1,0,0]=3 975 B11R2.20 C1=CC2=C(C=N1)NCCO2 84112 [0,1,0,1,0,0|1,0,0]=3 976 B11R2.20 C1=CC2=C(C=N1)OCCN2 83898 [0,1,0,1,0,0|1,0,0]=3 977 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,1,0,1,0,0|1,0,0]=3 978 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [0,1,0,1,0,0|1,0,0]=3 979 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,1,0,1,0,0|2,0,0]=4 980 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [0,1,0,1,0,0|1,0,0]=3 981 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [0,1,0,1,0,0|2,0,0]=4 982 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [0,1,0,1,0,0|2,0,0]=4 983 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [0,1,0,1,0,0|2,0,0]=4 984 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [0,1,0,1,0,0|2,0,0]=4 985 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [0,1,0,1,0,0|2,0,0]=4 986 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [0,1,0,1,0,0|2,0,0]=4 987 B11R2.55 BrC1=NC=CC=C1C2CC2 O10674 [0,1,0,1,0,0|2,0,0]=4 988 B11R2.55 ClC1=NC=CC=C1C2CC2 C76816 [0,1,0,1,0,0|2,0,0]=4 989 B11R2.55 FC1=NC=CC=C1C2CC2 F16374 [0,1,0,1,0,0|2,0,0]=4 990 B11R2.55 NC1=NC=CC=C1C2CC2 92679 [0,1,0,1,0,0|2,0,0]=4 991 B11R2.55 O=C1NC=CC=C1C2CC2 N13207 [0,1,0,1,0,0|2,0,0]=4 992 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [0,1,0,1,0,0|1,0,0]=3 993 B11R2.106 BrC1=C2OCOC2=CC=C1 67234 [0,1,0,1,0,0|2,0,0]=4 994 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [0,1,0,1,0,0|1,0,1]=4 995 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,1,0,1,0,0|1,0,0]=3 996 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [0,1,0,1,0,0|1,0,1]=4 997 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [0,1,0,1,0,0|2,0,0]=4 998 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [0,1,0,1,0,0|1,0,0]=3 999 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [0,1,0,1,0,0|1,0,0]=3 1000 B11R2.106 ClC1=C2CNCC2=CC=C1 SC1314 [0,1,0,1,0,0|2,0,0]=4 1001 B11R2.106 ClC1=C2NN=NC2=CC=C1 C76113 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.106 ClC1=NC=CC2=C1CCN2 38710 [0,1,0,1,0,0|1,0,0]=3 1003 B11R2.106 ClC1=NC=CC2=C1CCN2 83058 [0,1,0,1,0,0|1,0,0]=3 1004 B11R2.106 ClC1=NC=NC2=C1CCN2 26722 [0,1,0,1,0,0|2,0,0]=4 1005 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [0,1,0,1,0,0|1,0,0]=3 1006 B11R2.106 IC1=C2C=NNC2=CC=C1 P10510 [0,1,0,1,0,0|1,0,1]=4 1007 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [0,1,0,1,0,0|1,0,0]=3 1008 B11R2.106 IC1=C2CCNC2=NC=C1 P20936 [0,1,0,1,0,0|1,0,0]=3 1009 B11R2.106 IC1=C2CCOC2=NC=C1 P16092 [0,1,0,1,0,0|2,0,0]=4 1010 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [0,1,0,1,0,0|0,0,2]=4 1011 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [0,1,0,1,0,0|2,0,0]=4 1012 B11R2.106 NC1=C2CCOC2=NC=C1 97229 [0,1,0,1,0,0|2,0,0]=4 1013 B11R2.106 NC1=C2NCCC2=CC=C1 AC5784 [0,1,0,1,0,0|0,0,0]=2 1014 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [0,1,0,1,0,0|1,0,0]=3 1015 B11R2.106 NC1=C2OCOC2=CC=C1 25897 [0,1,0,1,0,0|2,0,0]=4 1016 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [0,1,0,1,0,0|0,0,0]=2 1017 B11R2.106 NC1=CC=CC2=C1CNC2 62888 [0,1,0,1,0,0|2,0,0]=4 1018 B11R2.106 NC1=CC=CC2=C1CNC2 C90573 [0,1,0,1,0,0|2,0,0]=4 1019 B11R2.106 NC1=CC=CC2=C1NC=N2 26687 [0,1,0,1,0,0|1,0,1]=4 1020 B11R2.106 O=C1C=CC=C2NCCN12 O10575 [0,1,0,1,0,0|1,0,0]=3 1021 B11R2.106 O=C1NC=CC2=C1CCO2 D96871 [0,1,0,1,0,0|2,0,0]=4 1022 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [0,1,0,1,0,0|0,0,0]=2 1023 B11R2.106 OC1=C2N=NNC2=CC=C1 H10523 [0,1,0,1,0,0|2,0,0]=4 1024 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [0,1,0,1,0,0|0,0,0]=2 1025 B11R2.106 OC1=C2OCOC2=CC=C1 Y13605 [0,1,0,1,0,0|2,0,0]=4 1026 B11R2.35 BrC1=CC(C2CC2)=NC=C1 84229 [0,1,0,1,0,0|2,0,0]=4 1027 B11R2.35 BrC1=CN=CC(C2CC2)=C1 F15531 [0,1,0,1,0,0|2,0,0]=4 1028 B11R2.35 BrC1=NC=CC(C2CC2)=C1 AB21162 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.35 ClC1=NC=CC(C2CC2)=C1 P11357 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.35 NC1=CC(C2CC2)=CC=C1 C75291 [0,1,0,1,0,0|1,0,0]=3 1031 B11R2.35 NC1=NC=CC(C2CC2)=C1 80941 [0,1,0,1,0,0|2,0,0]=4 1032 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,1,0,1,0,0|1,0,0]=3 1033 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,1,0,1,0,0|1,0,1]=4 1034 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,1,0,1,0,0|0,0,0]=2 1035 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,1,0,1,0,0|1,0,1]=4 1036 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,1,0,1,0,0|1,0,0]=3 1037 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,1,0,1,0,0|0,0,0]=2 1038 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,1,0,1,0,0|1,0,1]=4 1039 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,1,0,1,0,0|0,0,2]=4 1040 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,1,0,1,0,0|0,0,2]=4 1041 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,1,0,1,0,0|0,0,1]=3 1042 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,1,0,1,0,0|0,0,0]=2 1043 B11R2.1 NN1N=CC2=C1C=CC=C2 S11721 [0,1,0,1,0,0|1,0,1]=4 1044 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,1,0,1,0,0|1,0,0]=3 1045 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,1,0,1,0,0|1,0,0]=3 1046 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,1,0,1,0,0|1,0,0]=3 1047 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,1,0,1,0,0|2,0,0]=4 1048 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,1,0,1,0,0|2,0,0]=4 1049 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,1,0,1,0,0|1,0,1]=4 1050 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,1,0,1,0,0|1,0,1]=4 1051 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,1,0,1,0,0|1,0,0]=3 1052 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,1,0,1,0,0|2,0,0]=4 1053 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,1,0,1,0,0|2,0,0]=4 1054 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,1,0,1,0,0|2,0,0]=4 1055 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,1,0,1,0,0|2,0,0]=4 1056 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,1,0,1,0,0|2,0,0]=4 1057 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,1,0,1,0,0|2,0,0]=4 1058 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,1,0,1,0,0|0,0,0]=2 1059 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,1,0,1,0,0|0,0,0]=2 1060 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,1,0,1,0,0|0,0,0]=2 1061 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,1,0,1,0,0|0,0,0]=2 1062 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,1,0,1,0,0|0,0,0]=2 1063 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,1,0,1,0,0|1,0,0]=3 1064 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [0,1,0,1,0,0|2,0,0]=4 1065 B11R2.40 NC1(C2=CC=NC=C2)CC1 38295 [0,1,0,1,0,0|2,0,0]=4 1066 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [0,1,0,1,0,0|2,0,0]=4 1067 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [0,1,0,1,0,0|1,0,0]=3 1068 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [0,1,0,1,0,0|2,0,0]=4 1069 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,1,0,1,0,0|0,0,0]=2 1070 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,1,0,1,0,0|1,0,0]=3 1071 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,1,0,1,0,0|0,0,0]=2 1072 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,1,0,1,0,0|1,0,0]=3 1073 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [0,1,0,1,0,0|2,0,0]=4 1074 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,1,0,1,0,0|1,0,0]=3 1075 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [0,1,0,1,0,0|2,0,0]=4 1076 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|2,0,0]=4 1077 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,1,0|2,0,0]=4 1078 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|1,0,0]=3 1079 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|2,0,0]=4 1080 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|2,0,0]=4 1081 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|2,0,0]=4 1082 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|1,0,0]=3 1083 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|2,0,0]=4 1084 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|2,0,0]=4 1085 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|2,0,0]=4 1086 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|2,0,0]=4 1087 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|2,0,0]=4 1088 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|2,0,0]=4 1089 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|2,0,0]=4 1090 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|2,0,0]=4 1091 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|2,0,0]=4 1092 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|2,0,0]=4