0 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.21 C[C@H](N)C1=CC(F)=C(O)C=C1 Y13967 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 O11326 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.74 CC1=CC(Br)=CC([C@H](C)N)=C1 D79983 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.74 C[C@H](N)C1=CC(F)=CC(O)=C1 Y14614 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.74 C[C@H](O)C1=CC(F)=CC(F)=C1 AT11381 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.74 C[C@H](O)C1=CC(F)=CC(F)=C1 AT11382 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 AC8374 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.74 O=C([O-])C1=CC(F)=CC(F)=N1 P17809 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.155 CS(=O)(=O)C1=NC=CC(Br)=C1 D70863 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br D72094 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.167 CC(=O)C1=CC(F)=CN=C1F AT10058 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 AT13146 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.266 C#CC1=CC(C(=O)O)=CN=C1 AT12834 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.266 C=CC1=NC=CC(C(=O)O)=C1 AT19513 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.266 COC1=CC(C(=O)O)=NN=C1 F30535 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 32100 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.266 C[C@H](N)C1=CC=CC(CO)=C1 Y14056 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 79647 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 Y10183 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [0,0,0,0,1,0|2,0,0]=3 68 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [0,0,0,0,0,1|2,0,1]=4 69 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.2 CN1C(=O)C=CC=C1C=O AT19298 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.224 CC1=CC=CC(CC(=O)O)=C1N 78656 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 Y11075 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y11001 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.23 CS(=O)(=O)C1=CC(Br)=C(O)C=C1 F20703 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C73585 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.56 COC1=C(C)C=CC(C(C)C)=C1 D76334 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 D70063 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.232 CC1=CC(F)=C(N)C=C1C(=O)O AT14691 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 34919 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.367 CNC(=O)C1=NC(N)=C(Br)C=C1 W19538 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=N1 W11515 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 C76222 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.893 CC(=O)C1=C(N)C(C)=C(O)C=C1 C11739 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.893 CC1=C(C(=O)O)C=CC(O)=C1O CK2249 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1F W19342 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1Cl 96226 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.1005 CC(=O)C1=CC(O)=C(O)C(O)=C1 W18822 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.1005 O=[N+]([O-])C1=CC(F)=C(Br)C(O)=C1 34438 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.24 CCC(=O)C1=CC=CC(F)=C1I 79283 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.24 COC(=O)C1=C(Cl)C(N)=CC=N1 77093 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.24 COC(=O)C1=C(N)C(Br)=NC=C1 F30315 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 O11870 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.24 COC(=O)C1=CC=CC(I)=C1O AT10729 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.24 O=C(CCl)C1=C(F)C(F)=CC=C1 D96329 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.354 COC(=O)C1=C(Br)C=NC(O)=N1 C76292 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.358 O=C(CCl)C1=CC(O)=CC(O)=C1 D94022 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 N13245 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C13965 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14080 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14081 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14302 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.11 COC1=CC(Br)=NC(C(N)=O)=C1 AT21502 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.11 COC1=CC(O)=CC(C(=O)O)=C1 O11013 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.11 N#CC1=CC(C(=O)O)=CC(N)=C1 C11272 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.511 NC1=C(N)C(C(=O)O)=CC(Br)=C1 27923 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.511 NC1=CC(F)=C(F)C(C(=O)O)=C1 D70727 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.87 O=CC1=C([N+](=O)[O-])C=CC=C1O Y14664 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.440 COC1=C(Cl)C([C@H](C)N)=CC=C1 Y13243 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.440 COC1=C(F)C(C(=O)O)=CC=N1 W19150 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y10290 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y11549 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 Y12980 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.440 COC1=C(N)C(C(=O)O)=NC=C1 D76882 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.440 COC1=CC=NC(C(=O)O)=C1Cl P20558 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.894 NC1=CC=C(F)C(Cl)=C1C(=O)O F17501 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.46 NNC1=C(C(=O)O)C=C(F)C=C1 D96915 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.453 CCC1=CC(C(=O)O)=C(Br)C=C1 78892 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.453 COC1=CC(C(=O)O)=C(C)N=C1 P19231 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y13934 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 A10610 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.279 CCOC1=CC([C@H](C)N)=CC=C1 Y13737 [0,2,0,0,0,0|1,0,1]=4 144 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.202 CN1C=C2C=CC=C(O)C2=N1 D79666 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 C14609 [0,0,0,1,0,1|0,0,0]=2 147 B12R2.202 O=C1CC2=C(N=CC=C2O)N1 D96675 [0,0,0,1,0,1|1,0,0]=3 148 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 S11339 [0,0,0,1,0,1|2,0,0]=4 149 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W16979 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.132 OC1=CC2=C(C=C1)NN=C2Br 83344 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.196 O=C1CCC2=C(Br)C=NC=C12 84234 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.196 O=C1NCC2=C1C=CN=C2Cl AC1916 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [1,0,0,0,0,1|2,0,0]=4