0 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 CC(N)C1=CC=NC=C1 17007 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 CC(N)C1=CN=CC=C1 17106 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 CC(N)C1=NC=CC=C1 17105 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CN(C)C1=CC=NC=C1 00120 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 CN(C)C1=CC=NC=C1 30845 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 CN(C)C1=CC=NC=C1 30846 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 OB(O)C1=CC=CC=C1 26799 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 OB(O)C1=CC=CC=C1 29551 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 53 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.7 CC(O)(CN)C1=CC=CC=C1 19753 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 27505 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 27122 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.12 COC(OC)C1=CC=CC=C1 27180 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 25032 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 27875 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [0,1,0,0,0,0|1,0,0]=2 106 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,0,0,1,0,0|0,0,2]=3 107 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [0,0,0,1,0,0|2,0,1]=4 108 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,0,0,1,0,0|2,0,1]=4 109 B11R2.1 NC1CCC2=NC=CC=C21 20462 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 NC1COC2=CC=CC=C21 17963 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,0,0,1,0,0|2,0,1]=4 112 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,0,0,1,0,0|0,0,0]=1 113 B11R2.40 NC1(C2=CC=CC=C2)CC1 17927 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.40 NC1(C2=NC=CC=C2)CC1 19859 [0,0,0,1,0,0|3,0,0]=4 115 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [0,0,0,0,0,1|0,0,0]=1 116 B11R1.40 CC(CN)OC1=CC=CN=C1 23692 [0,0,0,0,0,1|1,0,0]=2 117 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,0,0,0,0,1|1,0,0]=2 118 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,0,0,0,0,1|2,0,0]=3 119 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,0,0,0,0,1|2,0,0]=3 120 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 122 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 128 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 131 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 132 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [1,1,0,0,0,0|0,0,0]=2 148 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [1,1,0,0,0,0|0,0,0]=2 150 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [1,1,0,0,0,0|0,0,0]=2 155 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [1,1,0,0,0,0|0,0,0]=2 159 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [1,1,0,0,0,0|0,0,0]=2 167 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 30377 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|0,0,0]=2 195 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|0,0,0]=2 197 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|0,0,0]=2 202 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|0,0,2]=4 208 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|0,0,2]=4 209 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|0,0,2]=4 210 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,1,0,0,0,1|1,0,1]=4 225 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,1,0,0,0,1|0,0,1]=3 226 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,1,0,0,0,1|1,0,1]=4 228 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,1,0,0,0,1|1,0,1]=4 230 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,1,0,0,0,1|1,0,1]=4 231 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 23526 [0,1,0,0,0,1|0,0,0]=2 232 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 23693 [0,1,0,0,0,1|0,0,0]=2 233 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,1,0,0,0,1|2,0,0]=4 234 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 23694 [0,1,0,0,0,1|0,0,0]=2 237 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 23677 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 22474 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 31789 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 24119 [0,2,0,0,0,0|0,0,2]=4 241 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 30868 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 30847 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 23394 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.478 CN(C)C(CN)C1=CC=NC=C1 23997 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.478 CN(C)C(CN)C1=CN=CC=C1 23395 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.478 CN(C)C(CN)C1=NC=CC=C1 23889 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 09611 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 16407 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 16408 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 16594 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 16614 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32525 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32526 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 29732 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 32506 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32504 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32505 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 23435 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 26633 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.5 COC1=CC=C(C(O)CN)C=C1 23752 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 29506 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 29508 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 23753 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 32442 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 29505 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 23684 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 18656 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.77 COC1=C(C(O)CN)C=CC=C1 23755 [0,2,0,0,0,0|1,0,0]=3 272 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,1]=4 273 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 274 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 275 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 276 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|2,0,0]=4 277 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 278 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,0,0,1,0,1|1,0,1]=4 281 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 17139 [0,0,0,1,0,1|0,0,2]=4 282 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 20647 [0,0,0,1,0,1|0,0,2]=4 283 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 18173 [0,0,0,1,0,1|1,0,1]=4 284 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,0,0,1,0,1|1,0,0]=3 285 B12R2.1 NCC1=NNC2=CC=CC=C21 19307 [0,1,0,1,0,0|1,0,1]=4 286 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [0,1,0,1,0,0|0,0,0]=2 287 B12R2.1 OCC1=CNC2=C1C=CC=C2 21896 [0,1,0,1,0,0|0,0,2]=4 288 B12R2.2 C1=CC(C2CCCN2)=CC=N1 23441 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.2 C1=CC(C2CCNC2)=CN=C1 17380 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.2 C1=CC=C(C2CCCN2)C=C1 23494 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.2 C1=CC=C(C2CCNC2)C=C1 23419 [0,1,0,1,0,0|0,0,0]=2 292 B12R2.2 C1=CN=C(C2CCCN2)C=C1 16992 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.2 C1=CN=C(C2CCNC2)C=C1 17254 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.2 C1=CN=C(C2CCNC2)C=N1 23606 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.2 C1=CN=CC(C2CCCN2)=C1 23240 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.1081 NC1CCOC2=C1C=CC=C2 17363 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 19637 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 18346 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [0,1,0,1,0,0|1,0,1]=4 300 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 18418 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 18422 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 26249 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 20992 [0,1,0,1,0,0|0,0,2]=4 305 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 21014 [0,1,0,1,0,0|0,0,2]=4 306 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 21221 [0,1,0,1,0,0|0,0,2]=4 307 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 19095 [0,1,0,1,0,0|1,0,1]=4 308 B12R2.132 NC1COC2=CC=C(F)C=C21 19116 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.7 CC(C)C1=NC=CN1 27377 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.7 CC(C)N1C=CN=C1 28263 [1,0,0,0,1,0|2,0,0]=4 311 B8R1.7 CC(N)C1=CC=NO1 18519 [1,0,0,0,1,0|2,0,0]=4 312 B8R1.7 CC(N)C1=COC=C1 18499 [1,0,0,0,1,0|1,0,0]=3 313 B8R1.7 CC(N)C1=CSC=N1 18534 [1,0,0,0,1,0|2,0,0]=4 314 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 315 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 316 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 317 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 318 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 319 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 320 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 321 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4 322 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03071 [0,0,0,0,0,2|1,0,1]=4 323 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03352 [0,0,0,0,0,2|1,0,1]=4