0 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,0,0,0,0,0|0,0,3]=4 14 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,1,0,0,0,0|0,0,2]=3 26 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,1,0,0,0,0|0,0,2]=3 27 B12R1.50 C=CC(=O)NC1=CC=CC(Cl)=C1 N11715 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.18 CC1=C(I)N2C=CC=CC2=N1 F30709 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [0,0,0,1,0,0|2,0,1]=4 35 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,0,0,1,0,0|1,0,2]=4 36 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.24 NC1=CC2=CC=CC=C2N=N1 W16974 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.24 NC1=CC2=CC=CN=C2N=C1 N10431 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,0,0,1,0,0|0,0,2]=3 44 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [0,0,0,1,0,0|2,0,1]=4 45 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [0,0,0,1,0,0|2,0,1]=4 46 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.32 O=CC1=CN2C=CN=CC2=N1 F14127 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.32 O=CC1=NN2C=CC=CC2=C1 F14285 [0,0,0,1,0,0|2,0,0]=3 50 B12R2.32 O=CC1=NN2C=CC=CC2=N1 C10020 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,0,0,0,1,0|0,0,3]=4 52 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,0,0,0,1,0|2,0,1]=4 53 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,0,0,0,1,0|0,0,1]=2 55 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,0,0,0,1,0|0,0,1]=2 56 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,0,0,0,1,0|1,0,2]=4 57 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,0,0,0,1,0|1,0,2]=4 58 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,0,0,0,1,0|2,0,1]=4 59 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,0,0,0,1,0|2,0,1]=4 60 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,0,0,0,1,0|2,0,1]=4 61 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,0,0,0,0,1|0,0,2]=3 62 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,1,0,0,0,0|0,0,2]=4 68 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,1,0,0,0,0|0,0,0]=2 71 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|0,0,2]=4 72 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|0,0,2]=4 73 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [1,1,0,0,0,0|0,0,1]=3 82 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.36 [2H]C([2H])=C([2H])C1=CC=CC=C1 D99675 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [1,1,0,0,0,0|1,1,0]=4 90 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,1,0,0,0,0|0,0,1]=3 91 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 AT22663 [0,1,0,0,1,0|0,0,1]=3 95 B11R1.12 N#C\C(=C\O)C1=CC=CC=C1 58278 [0,1,0,0,1,0|0,0,2]=4 96 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,1,0|1,0,0]=3 97 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,1,0,0,1,0|1,0,0]=3 98 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W12757 [0,1,0,0,1,0|1,0,1]=4 99 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [0,1,0,0,0,1|1,0,1]=4 100 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,1,0,0,0,1|0,0,2]=4 101 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.1327 CC(C)(CC=O)SC1=CC=CC=C1 C13207 [0,2,0,0,0,0|1,0,1]=4 104 B13R1.21 C\C(=N/O)C(=O)C1=CC=C(Br)C=C1 H11219 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.21 C\C(=N/O)C(=O)C1=CC=C(Cl)C=C1 H11220 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.152 CC(C(=O)O)S(=O)C1=CC=CC=C1 E72366 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [0,2,0,0,0,0|1,0,1]=4 109 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,2,0,0,0,0|1,0,1]=4 110 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 91423 [0,2,0,0,0,0|0,0,2]=4 111 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.202 C[C@H](OC1=C(F)C=CC=C1)C(=O)O C77967 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,2,0,0,0,0|0,0,2]=4 116 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,2,0,0,0,0|0,0,2]=4 117 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87874 [0,2,0,0,0,0|0,0,2]=4 118 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,2,0,0,0,0|0,0,0]=2 119 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,0,1,1,0,0|0,0,2]=4 120 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,1,0,0|1,0,1]=4 121 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,1,0,0|1,0,1]=4 122 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,1,0,0|1,0,1]=4 123 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [1,0,0,1,0,0|1,0,1]=4 124 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [1,0,0,1,0,0|2,0,0]=4 127 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [1,0,0,1,0,0|2,0,0]=4 128 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [1,0,0,1,0,0|1,0,0]=3 129 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.10 CC1=NN=C(C2=CC=CC=C2)N1 AT18636 [0,0,0,1,0,1|2,0,0]=4 131 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 36192 [0,0,0,1,0,1|2,0,0]=4 132 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [0,0,0,1,0,1|1,0,1]=4 133 B13R2.32 CN1C=CC2=CC=CN=C2C1=O D73821 [0,0,0,1,0,1|2,0,0]=4 134 B13R2.32 CN1N=CC2=C(C=CC=C2)C1=O N16864 [0,0,0,1,0,1|1,0,0]=3 135 B13R2.32 C[C@H]1C=NC2=C(C=CC=C2)C1=O AC4882 [0,0,0,1,0,1|0,0,1]=3 136 B13R2.32 C[C@H]1COC2=C(C=CC=C2)C1=O N13022 [0,0,0,1,0,1|0,0,2]=4 137 B13R2.32 ClC1=C(Br)C2=CC=CC=C2N=C1 93348 [0,0,0,1,0,1|2,0,0]=4 138 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 27185 [0,0,0,1,0,1|2,0,0]=4 139 B13R2.32 NC1=C(Cl)C2=CC=CC=C2C=N1 91248 [0,0,0,1,0,1|2,0,0]=4 140 B13R2.32 NC1=C(Cl)C=NC2=CC=CC=C21 O10994 [0,0,0,1,0,1|2,0,0]=4 141 B13R2.32 O=C1C(Cl)=NNC2=C1C=CC=C2 AC6867 [0,0,0,1,0,1|2,0,0]=4 142 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [0,0,0,1,0,1|2,0,0]=4 143 B13R2.32 OC1=C(Cl)C=NC2=CC=CC=C21 93347 [0,0,0,1,0,1|1,0,1]=4 144 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 CL1036 [0,0,0,1,0,1|1,0,1]=4 145 B13R2.15 CC1=C(C2=CC=CC=C2)N=NS1 F14741 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.15 CC1=CNN=C1C2=CC=CC=C2 C72531 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.15 CN1C=NC=C1C2=CC=CC=C2 91616 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.15 CN1C=NN=C1C2=CC=CC=C2 F51134 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [0,1,0,1,0,0|1,0,1]=4 151 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 C75017 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [0,1,0,1,0,0|1,0,1]=4 153 B13R2.328 BrC1=CC2=CC=CC=C2C(I)=C1 AC3548 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.328 CC1=CC(N)=C2C=CC=NC2=C1 K10310 [0,1,0,1,0,0|2,0,0]=4 155 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [0,1,0,1,0,0|1,0,0]=3 156 B13R2.328 CC1=CC2=CC=CN=C2C(Cl)=N1 AT15907 [0,1,0,1,0,0|2,0,0]=4 157 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12572 [0,1,0,1,0,0|1,0,1]=4 158 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12579 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 F11290 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.328 FC1=CC2=CC=CC=C2C(Br)=C1 E72054 [0,1,0,1,0,0|2,0,0]=4 161 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 F50945 [0,1,0,1,0,0|1,0,1]=4 162 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)S1 D73546 [0,1,0,1,0,0|2,0,0]=4 163 B13R2.328 O=C1C=C(I)OC2=C1C=CC=C2 C91932 [0,1,0,1,0,0|2,0,0]=4 164 B13R2.328 O=C1N=C(Cl)SC2=C1C=CC=C2 D72895 [0,1,0,1,0,0|2,0,0]=4 165 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,1,0,1,0,0|2,0,0]=4 166 B13R2.328 O=C1NC(=S)SC2=C1C=CC=C2 D73549 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.328 O=C1NC(Cl)=CC2=C1C=CC=C2 32072 [0,1,0,1,0,0|1,0,0]=3 168 B13R2.45 CC1=C(CO)OC2=C1C=CC=C2 AC6351 [0,1,0,1,0,0|2,0,0]=4 169 B13R2.45 CN1C(C=O)=NC2=C1C=NC=C2 F50996 [0,1,0,1,0,0|2,0,0]=4 170 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)C1 AC5129 [0,1,0,1,0,0|1,0,1]=4 171 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [0,1,0,1,0,0|1,0,0]=3 172 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [0,1,0,1,0,0|0,0,0]=2 173 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O S11319 [0,1,0,1,0,0|2,0,0]=4 174 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)C1Br N12387 [0,1,0,1,0,0|1,0,1]=4 175 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [0,1,0,1,0,0|2,0,0]=4 176 B13R2.369 CC1=C(C)C=C2N=CC=CC2=C1 N13369 [0,1,0,1,0,0|2,0,0]=4 177 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,1,0,1,0,0|0,0,0]=2 178 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [0,1,0,1,0,0|1,0,0]=3 179 B13R2.369 CC1=CC2=CN=CC=C2C=C1F 81070 [0,1,0,1,0,0|2,0,0]=4 180 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,1,0,1,0,0|1,0,1]=4 181 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [0,1,0,1,0,0|2,0,0]=4 182 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [0,1,0,1,0,0|2,0,0]=4 183 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,1,0,1,0,0|2,0,0]=4 184 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,1,0,1,0,0|0,0,2]=4 185 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [0,1,0,1,0,0|1,0,1]=4 186 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,1,0,1,0,0|2,0,0]=4 187 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,1,0,1,0,0|2,0,0]=4 188 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [0,1,0,1,0,0|2,0,0]=4 189 B13R2.435 O=[S@]([O-])C1=CC2=C(C=CC=C2)O1 F14144 [0,1,0,1,0,0|2,0,0]=4 190 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 D75515 [0,1,0,1,0,0|1,0,0]=3 191 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 H10981 [0,1,0,1,0,0|2,0,0]=4 192 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)O1 E71165 [0,1,0,1,0,0|1,0,0]=3 193 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)S1 F13894 [0,1,0,1,0,0|1,0,0]=3 194 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)O1 98428 [0,1,0,1,0,0|1,0,0]=3 195 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)S1 98425 [0,1,0,1,0,0|1,0,0]=3 196 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=N2)N1 57478 [0,1,0,1,0,0|2,0,0]=4 197 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)N1 28115 [0,1,0,1,0,0|1,0,0]=3 198 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)O1 98431 [0,1,0,1,0,0|1,0,0]=3 199 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)S1 98413 [0,1,0,1,0,0|1,0,0]=3 200 B13R2.43 O=CC1=CN2C=C(F)C=CC2=N1 W13827 [0,1,0,1,0,0|2,0,0]=4 201 B13R2.3028 CC1=CC2=C(C=C1)C[C@H](C)C2=O N12932 [0,1,0,1,0,0|0,0,2]=4 202 B13R2.3683 CC1=CC2=CC=C(N)C=C2N=C1 K10051 [0,1,0,1,0,0|1,0,0]=3 203 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [0,1,0,1,0,0|1,0,0]=3 204 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [0,1,0,1,0,0|2,0,0]=4 205 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=N1 91922 [0,1,0,1,0,0|2,0,0]=4 206 B13R2.3683 CC1=CN=C2C=C(I)C=CC2=N1 91923 [0,1,0,1,0,0|2,0,0]=4 207 B13R2.3683 CC1=CN=C2N=C(C)C=CC2=C1 D75079 [0,1,0,1,0,0|2,0,0]=4 208 B13R2.3683 CC1=NC2=CC=C(N)C=C2N=C1 91921 [0,1,0,1,0,0|2,0,0]=4 209 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [0,1,0,1,0,0|2,0,0]=4 210 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [0,1,0,1,0,0|2,0,0]=4 211 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [0,1,0,1,0,0|2,0,0]=4 212 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 D76690 [0,1,0,1,0,0|1,0,0]=3 213 B13R2.54 CC1=CC=CC2=C1NC(C=O)=C2 71616 [0,1,0,1,0,0|1,0,0]=3 214 B13R2.54 O=CC1=CC2=C(F)C=CC=C2O1 98437 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.54 O=CC1=CC2=CC=CC(Br)=C2O1 E71222 [0,1,0,1,0,0|1,0,0]=3 216 B13R2.54 O=CC1=CC2=CC=CC(Br)=C2S1 98411 [0,1,0,1,0,0|1,0,0]=3 217 B13R2.54 O=CC1=CC2=CC=CC(F)=C2N1 O11653 [0,1,0,1,0,0|1,0,0]=3 218 B13R2.54 O=CC1=CC2=CC=CC(F)=C2O1 98417 [0,1,0,1,0,0|1,0,0]=3 219 B13R2.54 O=CC1=CN2C(F)=CC=CC2=N1 50629 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.54 O=CC1=NC2=CC=CC(Br)=C2O1 D87526 [0,1,0,1,0,0|2,0,0]=4 221 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [0,1,0,1,0,0|2,0,0]=4 222 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [0,1,0,1,0,0|1,0,0]=3 223 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=C1 84135 [0,1,0,1,0,0|2,0,0]=4 224 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [0,1,0,1,0,0|2,0,0]=4 225 B13R2.155 NC1=CC=C2N=CC(I)=CC2=C1 D74425 [0,1,0,1,0,0|2,0,0]=4 226 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.4856 CC1=C2C(=O)[C@@H](C)CC2=CC=C1 N14233 [0,1,0,1,0,0|0,0,2]=4 229 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,1,0,1,0,0|2,0,0]=4 230 B13R2.4856 C[C@H]1CC2=CC=CC(Br)=C2C1=O N14230 [0,1,0,1,0,0|0,0,2]=4 231 B13R2.4856 C[C@H]1CC2=CC=CC(Cl)=C2C1=O N14229 [0,1,0,1,0,0|0,0,2]=4 232 B13R2.4856 C[C@H]1CC2=CC=CC(F)=C2C1=O N14228 [0,1,0,1,0,0|0,0,2]=4 233 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CO2 C91052 [0,1,0,1,0,0|2,0,0]=4 234 B13R2.5179 CC1=CC=C2C(Br)=CC=NC2=C1 F53837 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [0,1,0,1,0,0|2,0,0]=4 236 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [0,1,0,1,0,0|2,0,0]=4 238 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [0,1,0,1,0,0|2,0,0]=4 239 B13R2.5179 NC1=CN=C2C(O)=CC=CC2=C1 80441 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.5190 CC1=CC2=C(C=C1)C(=O)[C@@H](C)C2 N14232 [0,1,0,1,0,0|0,0,2]=4 241 B13R2.5190 CC1=CC2=C(C=CC(N)=C2)N1C 96065 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.5190 CN1NC2=C(C=CC(Br)=C2)C1=O 93768 [0,1,0,1,0,0|2,0,0]=4 243 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,1,0,1,0,0|0,0,2]=4 244 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [0,1,0,1,0,0|1,0,0]=3 245 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [0,1,0,1,0,0|1,0,0]=3 246 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [0,1,0,1,0,0|2,0,0]=4 247 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.162 ClC1=CN=C2C=CC=C(Br)C2=C1 80410 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.162 OC1=C2C=C(Cl)C=NC2=CC=C1 80400 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [0,1,0,1,0,0|2,0,0]=4 252 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 O10579 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.4825 CC1=CC=CC2=C1C[C@H](C)C2=O N14231 [0,1,0,1,0,0|0,0,2]=4 254 B13R2.4825 C[C@H]1CC2=C(Cl)C=CC=C2C1=O N13055 [0,1,0,1,0,0|0,0,2]=4 255 B13R2.4825 C[C@H]1CC2=C(F)C=CC=C2C1=O N14227 [0,1,0,1,0,0|0,0,2]=4 256 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,1,0|2,0,0]=4 257 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,1,0|2,0,0]=4 258 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,1,0|1,0,0]=3 259 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,1,0|1,0,0]=3 260 B9R1.13 CC(=O)CC1=CSC=C1 66590 [1,0,0,0,1,0|1,0,1]=4 261 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,0,0,0,2,0|2,0,0]=4