0 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|0,0,2]=3 1 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,0,0,1,0,0|1,0,2]=4 2 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,0,0,1,0,0|3,0,0]=4 3 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.8 NNCC1=NC=CC=C1 78929 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.14 CCN1C=NC=C1C=O C73658 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.14 CCN1C=NC=C1C=O S10760 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.14 COC1=C(C=O)OC=C1 65862 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.15 CCC1=CC=CN=C1N 55791 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 CCC1=CC=NNC1=O S11452 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.15 CCC1=NC=CNC1=O S12194 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.15 O=C1NC=CC=C1CO P16012 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.33 CN1C=CC=C1CCN 70855 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.33 CN1C=CC=C1CCO F13299 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.11 CC1=CSC=C1C=O P16095 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,1,0,1,0,0|1,0,0]=3 49 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,1,0,1,0,0|0,1,1]=4 62 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.39 CC(C)N1N=CC=C1C=O W17408 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.39 CCN1C=CN=C1C(=O)O D86551 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.39 CCN1C=NC=C1C(=O)O F10434 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,1,0,0|0,1,1]=4 69 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,1,0,1,0,0|1,0,1]=4 93 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.25 CCN1C=CC(Br)=CC1=O P13647 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.96 CCCC1=NOC(C=O)=N1 F52106 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.96 O=CC1=NN(CCF)C=C1 AT14225 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.245 CC1=CC=CC(O)=C1C=O 50507 [0,1,0,1,0,0|0,0,2]=4 102 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,1,0,1,0,0|0,0,2]=4 107 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,1,0,1,0,0|0,0,2]=4 114 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,1,0,0|0,0,2]=4 117 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 CK2094 [0,1,0,1,0,0|0,0,2]=4 130 B10R1.30 CC1=C(C=O)C=C(I)C=C1 F20710 [0,1,0,1,0,0|0,0,2]=4 131 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.30 CCN1C=C(Br)C=CC1=O AC2035 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.5 CCCC1=C(C=O)NC=N1 P16652 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,1,0,1,0,0|0,0,2]=4 140 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,1,0,0|1,0,0]=3 161 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,1,0,0|1,0,0]=3 162 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,1,0,0|1,0,0]=3 163 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,1,0,0|1,0,0]=3 164 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,1,0,0|1,0,0]=3 166 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,1,0,0|1,0,0]=3 167 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,1,0,1,0,0|0,0,1]=3 175 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,1,0,1,0,0|1,0,1]=4 178 B10R2.61 O=C1OC2C=CCC1C2 N13104 [0,0,0,2,0,0|1,0,1]=4 179 B10R2.7 C1=CC2=C(CCCC2)N1 P10023 [0,0,0,2,0,0|1,0,1]=4 180 B10R2.7 C1=CC2=C(CCCC2)S1 AC8430 [0,0,0,2,0,0|0,1,1]=4 181 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,2,0,0|2,0,0]=4 182 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,0,0,2,0,0|2,0,0]=4 183 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,0,0,2,0,0|2,0,0]=4 184 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,2,0,0|0,0,2]=4 185 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,2,0,0|2,0,0]=4