0 B10R1.1 BrC#CC1=CC=C(Br)C=C1 94425 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 ClC1=CC=C(C#CBr)C=C1 94423 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 AC6317 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 OCC1=NC=C(O)C=N1 72629 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.1 C#CCNC1=CC=C(Cl)C=C1 D75666 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.1 C#CCOC1=CC=C(I)C=C1 AT23376 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [0,1,0,0,0,0|1,1,0]=3 72 B11R1.1 OCC#CC1=CC=C(Br)C=C1 A50682 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [0,1,0,0,0,0|1,1,0]=3 76 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 CC(C)OC1=CN=C(Cl)N=C1 AT18453 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.20 CC(C)OC1=NC=C(N)C=N1 AT18233 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 AT20957 [0,1,0,0,0,0|2,1,0]=4 84 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.20 FC1=CC=C(OC(F)F)C=C1 F17627 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 NC1=CC=C(SC(F)F)C=C1 AT20968 [0,1,0,0,0,0|2,1,0]=4 87 B11R1.20 NC1=CC=C(SC(F)F)C=C1 AT20978 [0,1,0,0,0,0|2,1,0]=4 88 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,0|2,1,0]=4 110 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.81 O\N=C\C1=C(O)C=C(O)C=C1 S11928 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.83 CCNC1=NC=C(C#N)C=C1 88568 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,1,0,0,0,0|1,1,0]=3 169 B11R1.83 CCSC1=CN=C(C#N)C=C1 58222 [0,1,0,0,0,0|2,1,0]=4 170 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 F18035 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.192 CCOC1=NC(C)=C(N)C=C1 F51299 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.192 CCSC1=CC(Cl)=C(Br)C=C1 89705 [0,1,0,0,0,0|1,1,0]=3 180 B11R1.192 CNCC1=CC(F)=C(F)C=C1 N12835 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [0,1,0,0,0,0|2,0,1]=4 184 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [0,0,0,1,0,0|1,0,2]=4 189 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,0,0,1,0,0|2,0,0]=3 191 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,0,0,1,0,0|2,0,0]=3 198 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,0,0,0,1,0|3,0,0]=4 199 B9R1.7 CCOC1=CC(N)=NN1 76280 [0,0,0,0,1,0|3,0,0]=4 200 B9R1.7 CCOC1=CC(N)=NN1 D70001 [0,0,0,0,1,0|3,0,0]=4 201 B9R1.7 CCOC1=NNC(Br)=C1 P14561 [0,0,0,0,1,0|3,0,0]=4 202 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,0]=3 203 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.3 CC1=CN=C(O)N=C1 W10551 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,1,0,0,0,0|1,1,0]=4 214 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,1,0,0,0,0|1,1,0]=4 218 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,1,0,0,0,0|1,1,0]=4 225 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.25 CCN1C=CC(N)=CC1=O P12616 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|1,1,0]=4 259 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|0,1,0]=3 260 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [1,1,0,0,0,0|0,1,0]=3 291 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [1,1,0,0,0,0|0,1,0]=3 292 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [1,1,0,0,0,0|1,1,0]=4 295 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|0,1,0]=3 296 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [1,1,0,0,0,0|1,1,0]=4 297 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|0,1,0]=3 313 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|0,1,0]=3 314 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|0,1,0]=3 323 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [1,1,0,0,0,0|1,1,0]=4 334 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,1,0,0,1,0|1,0,1]=4 354 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 88334 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.1 BrCCOCC1=CC=C(Br)C=C1 N11537 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.1 CC1=CC=C(OCCCBr)C=C1 F50438 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.1 OCCOCC1=CC=C(Br)C=C1 N11527 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 F21118 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 32810 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.16 COC[C@H](N)C1=CC=C(Br)C=C1 N11361 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 N13032 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13057 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13150 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N16979 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51805 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.16 NCC[C@H](O)C1=CC=C(Cl)C=C1 74612 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58177 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 60079 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.16 OCC[C@H](O)C1=CC=C(Br)C=C1 AT23932 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,2,0,0,0,0|1,1,0]=4 379 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,2,0,0,0,0|0,1,1]=4 390 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 CS2091 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.69 CC1=C(OCC=O)C=CC(Cl)=C1 H11069 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.69 CC1=CC(Br)=NC=C1OCCF 96318 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.69 CCNCC1=C(C)C=C(C)C=C1 W16027 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.69 CNCCC1=C(Cl)C=C(Cl)C=C1 C78436 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.69 FC1=CC(F)=C(CCCBr)C=C1 C77740 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.69 NC1=C(NCCO)C=CC(Br)=C1 N10335 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 F20765 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 F20099 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.69 NCCCC1=C(F)C=C(F)C=C1 C78172 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.69 OCCCC1=C(F)C=C(F)C=C1 C78631 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,2,0,0,0,0|0,0,1]=3 419 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,2,0,0,0,0|0,0,1]=3 421 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,2,0,0,0,0|1,1,0]=4 426 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,2,0,0,0,0|0,1,1]=4 427 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 C77896 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.385 CCCCC1=CC(N)=C(N)C=C1 F18184 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.385 CNCCC1=CC(Cl)=C(Cl)C=C1 C78278 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.385 FC1=C(F)C=C(CCCBr)C=C1 C77742 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 C78454 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 C78171 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 C78127 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,2,0,0,0,0|1,1,0]=4 435 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,2,0,0,0,0|0,1,0]=3 436 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,2,0,0,0,0|1,1,0]=4 439 B12R1.4 OCC1=CN=C(OC(F)F)C=C1 S11109 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.19 CC(=O)OC1=CC(Br)=C(F)C=C1 C11086 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.19 CC1=C(N)C=CC(OC(C)C)=N1 89631 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.19 CC1=C(N)C=CC(OC(F)F)=C1 W16609 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.19 C[C@H](N)CC1=CC(Cl)=C(Cl)C=C1 N10880 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N11068 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N14355 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.19 FC(F)OC1=CC(Br)=C(Br)C=C1 F19143 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.19 FC(F)OC1=CC(Br)=C(Cl)C=C1 F17651 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.19 FC(F)OC1=CC(Br)=C(I)C=C1 F17650 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.19 FC(F)OC1=CC(Cl)=C(Cl)C=C1 F19083 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.19 FC(F)OC1=CC(Cl)=C(I)C=C1 F19061 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.19 FC(F)OC1=CC(I)=C(Br)C=C1 F19070 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.19 FC(F)OC1=CC(I)=C(Cl)C=C1 F19039 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.19 FC1=C(Br)C=C(OC(F)F)C=C1 F17637 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.19 FC1=C(Br)C=CC(OC(F)F)=C1 F17639 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.19 FC1=C(Cl)C=C(OC(F)F)C=C1 F18978 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.19 FC1=C(Cl)C=CC(OC(F)F)=C1 F17633 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.19 FC1=C(F)C=C(OC(F)F)C=C1 F19080 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.19 FC1=C(I)C=C(OC(F)F)C=C1 F19051 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.19 FC1=C(I)C=CC(OC(F)F)=C1 F19066 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.19 NC1=C(Cl)C=C(OC(F)F)C=C1 W16618 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.19 NC1=C(F)C=C(OC(F)F)C=C1 W16619 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.19 OC1=C(Br)C=C(OC(F)F)C=C1 E71871 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12796 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12886 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C78465 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31298 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12546 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12875 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 26032 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.20 C[C@H](Cl)C(=O)C1=CC=C(F)C=C1 C16405 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.106 CC(C)(C)OC1=NC=C(Br)C=C1 F19673 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.106 CC(C)(C)SC1=CC=C(N)C=C1 AT20975 [0,2,0,0,0,0|1,1,0]=4 502 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 F30911 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 AT24485 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.106 CS(=O)(=O)OC1=CC=C(F)C=C1 76122 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.106 CS(=O)(=O)OC1=CC=C(S)C=C1 F16829 [0,2,0,0,0,0|1,1,0]=4 506 B12R1.106 CS(C)(=O)=NC1=CC=C(O)C=C1 AT18480 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.106 [2H]C([2H])([2H])OC1=CC=C(Br)C=C1 D98085 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.233 CC(C)OC1=C(Br)C=C(Cl)C=C1 C91609 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.233 CC(C)OC1=NC=C(Br)C=C1Cl W12587 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.233 CC(C)OC1=NC=C(Cl)C=C1F W12585 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.233 CC1=C(OC(F)F)C=CC(Cl)=C1 F18867 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.233 CC1=C(OC(F)F)C=CC(F)=C1 F19086 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.233 CC1=C(OC(F)F)C=CC(I)=C1 F19115 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.233 CC1=CC(Br)=C(OC(F)F)C=C1 AT15191 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.233 CC1=CC(N)=C(OC(F)F)C=C1 AT12965 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.233 FC(F)OC1=C(Br)C=C(I)C=C1 F19113 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.233 FC(F)OC1=C(Cl)C=C(Br)C=C1 F19114 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.233 FC(F)OC1=C(Cl)C=C(I)C=C1 F19056 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.233 FC(F)OC1=C(I)C=C(Cl)C=C1 F18854 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.233 FC1=C(OC(F)F)C=CC(Cl)=C1 F18980 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.233 FC1=CC(F)=C(OC(F)F)C=C1 F19079 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.233 FC1=CC(I)=C(OC(F)F)C=C1 F19040 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.233 NC1=C(OC(F)F)C=CC(F)=C1 98229 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.5 CC[C@H](Cl)C1=CN=C(OC)C=C1 91403 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,2,0,0,0,0|1,1,0]=4 533 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11202 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11365 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.9 CC[C@](C)(N)C1=CC=C(Cl)C=C1 F52078 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W13287 [0,2,0,0,0,0|1,1,0]=4 547 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.12 CC[C@H](C#N)C1=CC=C(Br)C=C1 92209 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.367 CCC(=O)C1=CC(Br)=C(Cl)C=C1 N12212 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.367 CCC(=O)C1=CC(Cl)=C(Br)C=C1 97339 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.367 CCC(=O)C1=CC(F)=C(Br)C=C1 N14051 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.367 CCC(=O)C1=CC(F)=C(Cl)C=C1 N14046 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N12085 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.367 CC[C@H](N)C1=CC(C)=C(F)C=C1 N11147 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.367 CC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N10954 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.367 CC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N11080 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N11196 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12917 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 N11160 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.367 CC[C@H](O)C1=CC(C)=C(C)C=C1 N14428 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.367 CC[C@H](O)C1=CC(Cl)=C(Br)C=C1 97338 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.367 CC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 N14421 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.367 CC[C@H](O)C1=CC(F)=C(F)C=C1 N14423 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A10825 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 D97793 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N12160 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N10945 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N11162 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.1703 CC[C@H](O)C1=C(C)C=C(C)C=C1 N14425 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.1703 CC[C@H](O)C1=C(Cl)C=C(Cl)C=C1 N14422 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.1703 CC[C@H](O)C1=C(F)C=C(Br)C=C1 97337 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.1703 CC[C@H](O)C1=C(F)C=C(F)C=C1 N12683 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.112 CCOC1=C(C=O)C=C(Cl)C=C1 N12231 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.114 CCOC1=C(F)C=C(C=O)C=N1 O11588 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,2,0,0,0,0|0,0,1]=3 584 B12R1.544 CCOC1=C(Cl)C(F)=C(Br)C=C1 36846 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.1123 CCOC1=C(Br)C=C(F)C(F)=C1 F15516 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.1123 CCOC1=CC(N)=C(Br)N=C1Br 25743 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.113 CC#CC1=CC=C(B(O)O)C=C1 AC6268 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,2,0,0,0,0|0,0,0]=2 590 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.113 CCSC1=NC=C(B(O)O)C=C1 AT15058 [0,2,0,0,0,0|1,1,0]=4 592 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 C15909 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,2,0,0,0,0|0,0,1]=3 595 B12R1.288 CCOC1=CC(F)=C(CBr)C=C1 D80283 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 N14202 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.44 CCCC1=CC(F)=C(O)C(F)=C1 36960 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.286 CCOC1=CC(OC)=C(N)C=C1 N14332 [0,2,0,0,0,0|1,0,0]=3 601 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 602 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|1,0,0]=3 603 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|1,1,0]=4 604 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|2,0,0]=4 605 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|2,0,0]=4 606 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 51779 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.24 CC1=CC2=C(C=C1)NCCO2 AC6673 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.24 CC1=CC2=C(C=C1)OCCN2 VT1288 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.24 CC1=CC2=C(C=C1)SCCN2 W10110 [0,1,0,1,0,0|1,1,0]=4 611 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25438 [0,1,0,1,0,0|1,1,0]=4 614 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25439 [0,1,0,1,0,0|1,1,0]=4 615 B12R2.24 ClC1=CN=C2OCCNC2=C1 AC3457 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.24 ClC1=NC=C2OCCNC2=C1 P20382 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.24 IC1=NC2=C(C=C1)OCCN2 C74808 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.24 NC1=CC2=C(C=C1)NCCO2 AC6390 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.24 NC1=CC2=C(C=C1)OCCN2 AC5752 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.24 NC1=CC=C2OCCOC2=N1 AC9542 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.24 NC1=CN=C2OCCOC2=C1 AT11177 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P20506 [0,1,0,1,0,0|1,0,0]=3 625 B12R2.24 OC1=CC2=C(C=N1)OCCN2 F50705 [0,1,0,1,0,0|1,0,0]=3 626 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16524 [0,1,0,1,0,0|1,0,0]=3 635 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16525 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16526 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 83020 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.132 CC1=NOC2=C1C=C(Cl)C=C2 D78622 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14632 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14633 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16937 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 41007 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N11239 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N16518 [0,1,0,1,0,0|1,0,0]=3 645 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 52525 [0,1,0,1,0,0|1,0,0]=3 646 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16514 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16515 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11261 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.132 OC1=CC2=C(C=C1)ON=C2Cl AT24771 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.132 O[C@H]1COC2=C1C=C(Br)C=C2 AT23850 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|1,1,0]=4 654 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 D75905 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|1,0,0]=3 657 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 AT25319 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.2302 FC1=CC=C([C@@H]2CCN2)C=C1 AT25422 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.606 CN1C=C2C=CC(O)=CC2=N1 P20216 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.290 OC1(C2=CC=C(Br)C=C2)CC1 W18259 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.290 OC1(C2=CC=C(Cl)C=C2)CC1 AT23536 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.290 OC1(C2=CC=C(F)C=C2)CC1 AT23535 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,1,0,1,0,0|2,0,0]=4 677 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,1,0,0|1,1,0]=4 681 B12R2.246 FC1=CC(F)=C2OCCC2=C1 H10353 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.246 NC1=C2OCCC2=CC(F)=C1 88988 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.1317 FC1=CC(F)=C(C2CC2)C=C1 AC9452 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.1317 NC1=C(C2CC2)C=CC(Cl)=C1 AC9037 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|1,0,0]=3 689 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,1,0,1,0,0|1,0,1]=4 694 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 AT13423 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 E72233 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.82 NC1=C(F)C=CC2=C1OCO2 D79267 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.100 FC1=C(Cl)C=C2NCCC2=C1 A10638 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.100 NC1=C(Br)C=C2CCCC2=C1 AT13424 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.100 NC1=CC2=C(C=C1N)OCO2 D74701 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.291 CC1=C(N)C=C(C2CC2)C=C1 AC9034 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.291 ClC1=C(Cl)C=C(C2CC2)C=C1 AC8617 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.291 FC1=C(Br)C=CC(C2CC2)=C1 96637 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.291 FC1=C(Cl)C=C(C2CC2)C=C1 AC9177 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.291 NC1=C(Br)C=C(C2CC2)C=C1 AT10657 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.291 NC1=C(F)C=C(C2CC2)C=C1 96634 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.291 NC1=C(N)C=C(C2CC2)C=C1 AC8809 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,0,0,0,1,0|1,1,0]=4 710 B8R1.1 CCN1C=CC(O)=N1 AT14005 [1,0,0,0,1,0|2,0,0]=4 711 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,0,0,0,1,0|2,0,0]=4