0 B11R1.24 CC1=CC=CC(OCC#N)=C1 SY010989 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CC1=CC=CC(OCCN)=C1 SY008283 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 CCNCC1=CC=CC(Br)=C1 SY002525 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.24 CCNCC1=CC=CC(Cl)=C1 SY045903 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.24 CCNCC1=CC=CC(O)=C1 SY018672 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.24 CNCCC1=CC=CC(Cl)=C1 SY002516 [0,0,0,0,0,0|0,1,0]=1 7 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.24 COCOC1=CC(Br)=CC=C1 SY165520 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.24 COCOC1=CC=CC(Cl)=C1 SY224767 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 SY011000 [0,0,0,0,0,0|3,1,0]=4 11 B11R1.24 N#CCOC1=CC=CC(F)=C1 SY012355 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.24 NC1=CC(CCCO)=NC=C1 SY246026 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.24 NCCOC1=CC=CC(Br)=C1 SY039347 [0,0,0,0,0,0|3,1,0]=4 14 B11R1.24 NCCOC1=CC=CC(Cl)=C1 SY008277 [0,0,0,0,0,0|3,1,0]=4 15 B11R1.24 NCCOC1=CC=CC(F)=C1 SY008271 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 SY212051 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.10 CCNC1=CC=CC(Br)=C1 SY040310 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.10 CCOC1=CC(Br)=CC=C1 SY049073 [1,0,0,0,0,0|1,1,0]=3 28 B10R1.10 CCOC1=CC(Cl)=NC=C1 SY032380 [1,0,0,0,0,0|2,1,0]=4 29 B10R1.10 CCOC1=CC=NC(N)=C1 SY006018 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.10 CCOC1=CN=CC(N)=C1 SY032850 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.10 CCOC1=NC=CC(N)=C1 SY013227 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.10 CNCC1=CC(Br)=NC=C1 SY292039 [1,0,0,0,0,0|1,1,0]=3 33 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,0,0,0,0,0|0,1,0]=2 34 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,0,0,0,0,0|0,1,0]=2 35 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,0,0,0,0,0|0,1,0]=2 36 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.10 COCC1=CN=CC(Br)=C1 SY250264 [1,0,0,0,0,0|2,1,0]=4 40 B10R1.10 CSCC1=CC(N)=NC=C1 SY073684 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.10 ClCOC1=CC(Br)=CC=C1 SY293036 [1,0,0,0,0,0|2,1,0]=4 43 B10R1.10 ClCOC1=CC(Cl)=CC=C1 SY298324 [1,0,0,0,0,0|2,1,0]=4 44 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.10 FC1=CC=CC(OCCl)=C1 SY298336 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,0,0,0,0,0|0,1,0]=2 49 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,0,0,0,0,0|1,1,0]=3 51 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [1,0,0,0,0,0|2,1,0]=4 54 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,0,0,0,0,0|1,1,0]=3 56 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,0,0,0,0,0|1,1,0]=3 57 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,0,0,0,0,0|1,1,0]=3 59 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,0,0,0,0,0|1,1,0]=3 60 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,0,0,0,0,0|1,1,1]=4 61 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,0,0,0,0,0|1,1,0]=3 62 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,0,0,0,0,0|1,1,0]=3 63 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [1,0,0,0,0,0|2,1,0]=4 65 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [1,0,0,0,0,0|2,1,0]=4 67 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,0,0,0,0,0|0,0,0]=1 79 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,0,0,0,0,0|3,0,0]=4 98 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 SY012474 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.17 N#CCC(=O)C1=CC=CC(F)=C1 SY026744 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.17 OCCC(O)C1=CC=CC(Cl)=C1 SY265044 [0,1,0,0,0,0|2,1,0]=4 101 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 SY254038 [0,1,0,0,0,0|2,1,0]=4 102 B12R1.25 CCNCC1=CC=CC(F)=C1F SY014376 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.28 CC1=CC(OCCCN)=CC=C1 SY008305 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 SY008299 [0,1,0,0,0,0|2,1,0]=4 105 B12R1.28 NCCCOC1=CC=CC(F)=C1 SY008293 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.28 OCCCOC1=CC=CC(F)=C1 SY046394 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,1,0,0,0,0|1,1,1]=4 108 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,1,0,0,0,0|1,1,1]=4 109 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.100 CCCCC1=CC(O)=CC(O)=C1 SY266808 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.100 COCOC1=CC(F)=CC(F)=C1 SY233664 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.100 OCCCC1=CC(O)=CC(O)=C1 SY266810 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 SY062646 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.226 N=C(N)NCC1=CC=CC(F)=C1 SY294082 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 SY032519 [0,1,0,0,0,0|2,1,0]=4 118 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SY062293 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.226 O=C(Cl)COC1=CC=CC(F)=C1 SY128814 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 SY013761 [0,1,0,0,0,0|2,1,0]=4 121 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [0,1,0,0,0,0|2,1,0]=4 122 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 SY022016 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SY008331 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.226 O=[N+]([O-])CCC1=CC=CC(Cl)=C1 SY266524 [0,1,0,0,0,0|1,1,1]=4 126 B12R1.226 O=[N+]([O-])CCC1=CC=CC(F)=C1 SY266555 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.374 CCNCC1=CC(Br)=CC=C1O SY018707 [0,1,0,0,0,0|2,1,0]=4 128 B12R1.374 CCNCC1=CC(Cl)=CC=C1O SY018709 [0,1,0,0,0,0|2,1,0]=4 129 B12R1.374 CCNCC1=CC(F)=CC=C1O SY018705 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.374 COCOC1=CC(Br)=CC=C1F SY284152 [0,1,0,0,0,0|2,1,0]=4 131 B12R1.382 CCNCC1=CC=CC(OC)=C1 SY045888 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.382 COC1=CC(CCC=O)=CC=C1 SY019020 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.382 COC1=CC(CCCO)=CC=C1 SY032554 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.382 COCCC1=CC(CN)=CC=C1 SY025407 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.385 CCNCC1=CC=C(C)C(C)=C1 SY006083 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.385 CCNCC1=CC=C(O)C(O)=C1 SY025745 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 SY111062 [0,0,0,1,0,0|1,1,0]=3 138 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 SY018944 [0,0,0,1,0,0|2,1,0]=4 139 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SY024781 [0,0,0,1,0,0|2,1,0]=4 140 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SY041934 [0,0,0,1,0,0|2,1,0]=4 141 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SY009647 [0,0,0,1,0,0|0,1,0]=2 142 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SY025399 [0,0,0,1,0,0|0,1,0]=2 143 B12R2.24 BrC1=CC2=C(C=C1)COCC2 SY101936 [0,0,0,1,0,0|1,1,0]=3 144 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SY104483 [0,0,0,1,0,0|2,1,0]=4 145 B12R2.24 BrC1=CC2=C(C=N1)CCCC2 SY263581 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.24 BrC1=CC2=C(CCCC2)N=C1 SY260113 [0,0,0,1,0,0|2,1,0]=4 147 B12R2.24 BrC1=CC=C2CCOCC2=C1 SY116644 [0,0,0,1,0,0|2,1,0]=4 148 B12R2.24 BrC1=CC=C2OCCCC2=C1 SY101625 [0,0,0,1,0,0|2,1,0]=4 149 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 SY118852 [0,0,0,1,0,0|2,1,0]=4 150 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 SY041607 [0,0,0,1,0,0|0,1,0]=2 151 B12R2.24 ClC1=CC2=C(C=N1)CCCC2 SY242820 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.24 ClC1=CC=C2CNCCC2=N1 SY006960 [0,0,0,1,0,0|1,1,0]=3 153 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 SY020888 [0,0,0,1,0,0|1,1,0]=3 154 B12R2.24 ClC1=NC=C2CNCCC2=C1 SY246166 [0,0,0,1,0,0|1,1,0]=3 155 B12R2.24 ClC1=NC=C2CNCCC2=C1 SY246678 [0,0,0,1,0,0|1,1,0]=3 156 B12R2.24 FC1=CC2=C(C=C1)CNCC2 SY261787 [0,0,0,1,0,0|0,0,0]=1 157 B12R2.24 FC1=CC2=C(C=C1)NCCC2 SY102541 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.24 FC1=CC=C2NCCOC2=C1 SY130739 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.24 FC1=CC=C2OCCNC2=C1 SY045510 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 NC1=CC2=C(C=C1)CCCN2 SY110739 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 NC1=CC2=C(CCCC2)N=C1 SY105038 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.24 NC1=CC=C2CCCCC2=C1 SY102107 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.24 NC1=CC=C2CCNCC2=C1 SY005853 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.24 O=C1C=C2CCNCC2=CN1 SY267197 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.24 OC1=CC2=C(C=C1)CCCN2 SY021160 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.24 OC1=CC2=C(C=C1)CNCC2 SY003117 [0,0,0,1,0,0|1,0,0]=2 167 B12R2.24 OC1=CC2=C(C=C1)NCCC2 SY021158 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,0,0,1,0,0|2,1,0]=4 169 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 SY116573 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.203 CC1=NOC2=CC=CC(F)=C21 SY298835 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.203 CN1C=NC2=CC=CC(N)=C21 SY023500 [0,0,0,1,0,0|2,0,1]=4 172 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 SY244736 [0,0,0,1,0,0|2,1,0]=4 173 B12R2.203 NC1CCC2=C1C(F)=CC=C2 SY265846 [0,0,0,1,0,0|2,0,0]=3 174 B12R2.203 NC1CCC2=C1C(O)=CC=C2 SY263192 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 SY035082 [0,0,0,1,0,0|2,1,0]=4 176 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 SY041547 [0,0,0,1,0,0|2,1,0]=4 177 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 SY021872 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 SY008240 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 SY107054 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.612 CC1=NOC2=CC(F)=CC=C21 SY298842 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 SY104081 [0,0,0,1,0,0|0,1,2]=4 182 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SY063835 [0,0,0,1,0,0|1,0,2]=4 183 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 SY026519 [0,0,0,1,0,0|1,1,1]=4 184 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 SY025291 [0,0,0,1,0,0|1,1,1]=4 185 B12R2.612 CN1N=CC2=CC(N)=CC=C21 SY006183 [0,0,0,1,0,0|2,0,1]=4 186 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 SY047054 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 SY249642 [0,0,0,1,0,0|2,1,0]=4 188 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 SY001016 [0,0,0,1,0,0|2,1,0]=4 189 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 SY004428 [0,0,0,1,0,0|2,1,0]=4 190 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 SY002061 [0,0,0,1,0,0|3,0,0]=4 191 B12R2.612 O=C1CCC2=CC(F)=CC=C12 SY017170 [0,0,0,1,0,0|2,0,0]=3 192 B12R2.612 O=C1COC2=CC(F)=CC=C12 SY011535 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 SY258649 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.612 OB1OCC2=CC(F)=CC=C12 SY038332 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.612 O[C@@H]1CCC2=C1C=CC(Br)=C2 SY123884 [0,0,0,1,0,0|2,1,0]=4 196 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 SY258330 [0,0,0,1,0,0|2,1,0]=4 197 B12R2.1081 BrC1=CC=CC2=C1CCCN2 SY097814 [0,0,0,1,0,0|2,1,0]=4 198 B12R2.1081 BrC1=CC=CC2=C1CCCO2 SY121094 [0,0,0,1,0,0|2,1,0]=4 199 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY021156 [0,0,0,1,0,0|2,1,0]=4 200 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY041598 [0,0,0,1,0,0|2,1,0]=4 201 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY021179 [0,0,0,1,0,0|0,1,0]=2 202 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY041614 [0,0,0,1,0,0|0,1,0]=2 203 B12R2.1081 CC1=CC=CC2=C1NCCC2 SY081306 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.1081 ClC1=CC=CC2=C1CNCC2 SY041616 [0,0,0,1,0,0|0,1,0]=2 205 B12R2.1081 ClC1=CC=CC2=C1NCCC2 SY183818 [0,0,0,1,0,0|2,1,0]=4 206 B12R2.1081 FC1=C2NCCOC2=CC=C1 SY130736 [0,0,0,1,0,0|3,0,0]=4 207 B12R2.1081 FC1=C2OCCNC2=CC=C1 SY114250 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY116736 [0,0,0,1,0,0|3,0,0]=4 209 B12R2.1081 OC1=C2CCCCC2=CC=C1 SY049625 [0,0,0,1,0,0|2,0,0]=3 210 B12R2.1081 OC1=C2NCCCC2=CC=C1 SY010056 [0,0,0,1,0,0|3,0,0]=4 211 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY234047 [0,0,0,1,0,0|0,1,0]=2 212 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY267493 [0,0,0,1,0,0|0,1,0]=2 213 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267221 [0,0,0,1,0,0|1,0,0]=2 214 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267222 [0,0,0,1,0,0|1,0,0]=2 215 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267597 [0,0,0,1,0,0|2,0,0]=3 216 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267598 [0,0,0,1,0,0|2,0,0]=3 217 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267569 [0,0,0,1,0,0|2,0,0]=3 218 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267570 [0,0,0,1,0,0|2,0,0]=3 219 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267599 [0,0,0,1,0,0|2,0,0]=3 220 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267600 [0,0,0,1,0,0|2,0,0]=3 221 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267593 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267594 [0,0,0,1,0,0|2,0,0]=3 223 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY139836 [0,0,0,1,0,0|0,0,0]=1 224 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY267172 [0,0,0,1,0,0|0,0,0]=1 225 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267556 [0,0,0,1,0,0|1,0,0]=2 226 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267557 [0,0,0,1,0,0|1,0,0]=2 227 B12R2.2313 NC1=CC=CC(N2CCC2)=C1 SY270546 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.29 CCCCC1=C(Br)SC=C1 SY037112 [0,0,0,0,1,0|2,1,0]=4 229 B9R1.2 CC1=CC(CN)=NC=C1 SY032971 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 CC1=CC(CO)=CC=C1 SY049022 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 CC1=CC(ON)=CC=C1 SY282050 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=CC(ON)=CC=C1 SY282051 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=CC=CC(CN)=C1 SY004247 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.2 CC1=CC=CC(CN)=N1 SY035072 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=CC=CC(NN)=C1 SY004120 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.2 CC1=CN=CC(CN)=C1 SY035481 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.2 CC1=NC=CC(CN)=C1 SY035341 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 CCC1=CC(Br)=CC=C1 SY025138 [2,0,0,0,0,0|0,1,0]=3 239 B9R1.2 CCC1=CC(N)=CC=C1 SY002616 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.2 CCC1=CC=NC(N)=C1 SY008921 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.2 CCC1=NC(C)=CC=C1 SY046027 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 CCC1=NC=CC(N)=C1 SY026184 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.2 CNC1=CC(Br)=CN=C1 SY244240 [2,0,0,0,0,0|1,1,0]=4 244 B9R1.2 CNC1=CC=CC(Br)=C1 SY104448 [2,0,0,0,0,0|0,1,0]=3 245 B9R1.2 CNC1=CC=CC(Cl)=C1 SY048376 [2,0,0,0,0,0|0,1,0]=3 246 B9R1.2 CNC1=NC(Br)=CC=C1 SY152462 [2,0,0,0,0,0|1,1,0]=4 247 B9R1.2 CNC1=NC(C)=CC=C1 SY187746 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 CNC1=NC=CC(Br)=C1 SY037276 [2,0,0,0,0,0|1,1,0]=4 249 B9R1.2 COC1=CC(Cl)=CC=C1 SY009231 [2,0,0,0,0,0|1,1,0]=4 250 B9R1.2 COC1=CC=CC(Br)=C1 SY002244 [2,0,0,0,0,0|1,1,0]=4 251 B9R1.2 COC1=CC=CC(F)=N1 SY032408 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 COC1=CC=CC(I)=C1 SY027986 [2,0,0,0,0,0|1,1,0]=4 253 B9R1.2 CSC1=CC(N)=CC=C1 SY001852 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.2 FC1=CC(CBr)=NC=C1 SY253136 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 FC1=CC(CBr)=NC=C1 SY253884 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 FC1=CC(CBr)=NC=C1 SY254085 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.2 FC1=NC(CBr)=CC=C1 SY046741 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.2 NC1=CC=CC(CF)=C1 SY026432 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.2 NC1=CC=CC(CO)=C1 SY015453 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.2 NCC1=CC(=O)NC=C1 SY240274 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.2 NCC1=CC(Br)=CN=C1 SY034714 [2,0,0,0,0,0|1,1,0]=4 262 B9R1.2 NCC1=CC(Br)=NC=C1 SY113476 [2,0,0,0,0,0|1,1,0]=4 263 B9R1.2 NCC1=CC(Cl)=CN=C1 SY024111 [2,0,0,0,0,0|1,1,0]=4 264 B9R1.2 NCC1=CC(I)=CC=C1 SY008850 [2,0,0,0,0,0|0,1,0]=3 265 B9R1.2 NCC1=CC(N)=NC=C1 SY020291 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.2 NCC1=CC=CC(Br)=C1 SY004245 [2,0,0,0,0,0|0,1,0]=3 267 B9R1.2 NCC1=CC=CC(N)=N1 SY035074 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.2 NCC1=CC=CC(O)=C1 SY005415 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.2 NCC1=CC=NC(N)=C1 SY007149 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 NCC1=CN=CC(F)=C1 SY023017 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.2 NCC1=NC(F)=CC=C1 SY028019 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.2 NCC1=NC=CC(Br)=C1 SY021750 [2,0,0,0,0,0|1,1,0]=4 273 B9R1.2 NCC1=NC=CC(Cl)=C1 SY031877 [2,0,0,0,0,0|1,1,0]=4 274 B9R1.2 NCC1=NC=CC(F)=C1 SY032986 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.2 NNC1=CC(F)=CC=C1 SY013472 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.2 NNC1=CC(F)=CN=C1 SY271476 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.2 NNC1=CC=CC(Cl)=C1 SY001646 [2,0,0,0,0,0|1,1,0]=4 278 B9R1.2 NOC1=CC(F)=CN=C1 SY282532 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.2 NOC1=CC(F)=CN=C1 SY282533 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.2 NOC1=CC=CC(Br)=C1 SY282242 [2,0,0,0,0,0|1,1,0]=4 281 B9R1.2 NOC1=CC=CC(Br)=C1 SY282243 [2,0,0,0,0,0|1,1,0]=4 282 B9R1.2 NOC1=CC=CC(Cl)=C1 SY282078 [2,0,0,0,0,0|1,1,0]=4 283 B9R1.2 NOC1=CC=CC(Cl)=C1 SY282079 [2,0,0,0,0,0|1,1,0]=4 284 B9R1.2 OCC1=CC=CC(Br)=C1 SY004527 [2,0,0,0,0,0|1,1,0]=4 285 B9R1.2 OCC1=CC=CC(F)=C1 SY008446 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.2 OCC1=CC=CC(I)=C1 SY049751 [2,0,0,0,0,0|1,1,0]=4 287 B9R1.2 OCC1=CC=CC(O)=C1 SY006445 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.2 OCC1=NC(F)=CC=C1 SY015411 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.2 [C-]#[N+]C1=CC(F)=CC=C1 SY185141 [2,0,0,0,0,0|0,0,2]=4 290 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [2,0,0,0,0,0|0,0,2]=4 292 B9R1.8 CCCC1=CC=CCC1 SY292099 [2,0,0,0,0,0|0,0,2]=4 293 B9R1.8 CCCC1=NC=CC=C1 SY035538 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.8 CNCC1=CC=CN=C1 SY002368 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.8 CNCC1=CC=NC=C1 SY002386 [2,0,0,0,0,0|1,0,0]=3 296 B9R1.8 CNCC1=NC=CC=C1 SY003781 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.8 COCC1=CC=CC=C1 SY049310 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.8 NCCC1=CC=CN=C1 SY003234 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.8 NNCC1=CC=CC=C1 SY004756 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.8 NNCC1=CC=CC=C1 SY004764 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.8 NNCC1=NC=CC=C1 SY042125 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.8 NOCC1=CC=CC=C1 SY005671 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.8 NOCC1=CC=CC=C1 SY018100 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.8 NOCC1=CC=CN=C1 SY029692 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.8 NOCC1=CC=CN=C1 SY281597 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.8 NOCC1=CC=NC=C1 SY281602 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.8 NOCC1=CC=NC=C1 SY281603 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.8 NOCC1=NC=CC=C1 SY281576 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.8 NOCC1=NC=CC=C1 SY281577 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 OCCC1=CC=CN=C1 SY004170 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.8 OCCC1=CC=NC=C1 SY001138 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.8 ONCC1=CC=CC=C1 SY019534 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.8 ONCC1=CC=CC=C1 SY024088 [2,0,0,0,0,0|1,0,0]=3 314 B9R1.8 SCCC1=CC=CC=C1 SY039368 [2,0,0,0,0,0|1,0,0]=3 315 B11R1.13 CCOC1=C(F)C(F)=CC=C1 SY016260 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.13 CNCC1=CC=CC(F)=C1F SY014375 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.13 FC1=C(F)C(OCCl)=CC=C1 SY298497 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.13 N#CCC1=CC=CC(F)=C1F SY018421 [1,1,0,0,0,0|0,0,2]=4 319 B11R1.13 NCCC1=CC=CC(O)=C1O SY271550 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281841 [1,1,0,0,0,0|1,1,0]=4 321 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281842 [1,1,0,0,0,0|1,1,0]=4 322 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281762 [1,1,0,0,0,0|1,1,0]=4 323 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281763 [1,1,0,0,0,0|1,1,0]=4 324 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281806 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281807 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 SY045264 [1,1,0,0,0,0|0,0,2]=4 327 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 SY004012 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SY018227 [1,1,0,0,0,0|0,1,1]=4 329 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SY016989 [1,1,0,0,0,0|0,0,1]=3 330 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 SY047086 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 SY051152 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 SY008094 [1,1,0,0,0,0|1,1,0]=4 333 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 SY019239 [1,1,0,0,0,0|0,1,1]=4 334 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 SY078945 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 SY116141 [1,1,0,0,0,0|1,1,0]=4 336 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY120659 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY253690 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.23 O=C(CBr)C1=CC=CC(F)=C1 SY031402 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 SY130967 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 SY031948 [1,1,0,0,0,0|1,1,0]=4 341 B11R1.34 CC1=CC(C)=CC(CON)=C1 SY281739 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.34 CC1=CC(C)=CC(CON)=C1 SY281740 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 SY047852 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.34 CCCC1=CC(O)=CC(O)=C1 SY042170 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 SY023568 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 SY046085 [1,1,0,0,0,0|0,1,0]=3 347 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 SY017084 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 SY025169 [1,1,0,0,0,0|0,1,0]=3 349 B11R1.34 NOCC1=CC(F)=CC(F)=C1 SY281666 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.34 NOCC1=CC(F)=CC(F)=C1 SY281667 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.34 OCCC1=CC(O)=CC(O)=C1 SY266811 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 SY050661 [1,1,0,0,0,0|0,1,1]=4 353 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 SY040632 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SY042571 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.157 CC(O)CC1=NC=CC(Br)=C1 SY247891 [1,1,0,0,0,0|1,1,0]=4 356 B11R1.157 CN(C)CC1=CC(Br)=NC=C1 SY292037 [1,1,0,0,0,0|1,1,0]=4 357 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 SY274676 [1,1,0,0,0,0|0,1,1]=4 358 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SY001712 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.182 CC1=CC=C(F)C=C1CC#N SY033875 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.182 CNCC1=CC(Br)=CC=C1O SY018706 [1,1,0,0,0,0|0,1,0]=3 361 B11R1.182 CNCC1=CC(Cl)=CC=C1O SY018708 [1,1,0,0,0,0|0,1,0]=3 362 B11R1.182 CNCC1=CC(F)=CC=C1O SY018704 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 SY017787 [1,1,0,0,0,0|0,0,2]=4 364 B11R1.182 NNCC1=CC(Br)=CC=C1F SY048100 [1,1,0,0,0,0|1,1,0]=4 365 B11R1.182 NNCC1=CC(Cl)=CC=C1Br SY048099 [1,1,0,0,0,0|1,1,0]=4 366 B11R1.182 NNCC1=CC(F)=CC=C1Cl SY048096 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281792 [1,1,0,0,0,0|1,1,0]=4 368 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281793 [1,1,0,0,0,0|1,1,0]=4 369 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281694 [1,1,0,0,0,0|1,1,0]=4 370 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281695 [1,1,0,0,0,0|1,1,0]=4 371 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281679 [1,1,0,0,0,0|1,1,0]=4 372 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281680 [1,1,0,0,0,0|1,1,0]=4 373 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281764 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281765 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.182 NOCC1=CC(F)=CC=C1F SY281719 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.182 NOCC1=CC(F)=CC=C1F SY281720 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.189 CCCC1=CC(OC)=CC=C1 SY251462 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.189 CCOC1=CC(C#N)=CC=C1 SY061633 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.189 CCOC1=CC(ON)=CC=C1 SY282303 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.189 CCOC1=CC(ON)=CC=C1 SY282304 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.189 CNCC1=CC=CC(OC)=C1 SY102494 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.189 COC1=CC(CCN)=CC=C1 SY005807 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.189 COC1=CC(CCO)=CC=C1 SY025589 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.189 COC1=CC(CON)=CC=C1 SY281849 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.192 CCOC1=CC=C(N)C(O)=C1 SY291957 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.192 CCOC1=CC=C(O)C(O)=C1 SY294373 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.192 CNCC1=CC=C(C)C(C)=C1 SY006082 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.192 CNCC1=CC=C(Cl)C(Cl)=C1 SY005449 [1,1,0,0,0,0|0,1,0]=3 389 B11R1.192 CNCC1=CC=C(O)C(O)=C1 SY024820 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.192 FC1=C(F)C=C(OCCl)C=C1 SY298453 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.192 FC1=CC(CCBr)=CC=C1Br SY262897 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 SY023166 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.192 N#CCC1=CC=C(Br)C(F)=C1 SY030298 [1,1,0,0,0,0|0,0,2]=4 394 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 SY016893 [1,1,0,0,0,0|0,0,2]=4 395 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 SY016994 [1,1,0,0,0,0|0,1,0]=3 396 B11R1.192 NCCC1=CC=C(O)C(Cl)=C1 SY302004 [1,1,0,0,0,0|0,1,0]=3 397 B11R1.192 NNCC1=CC=C(Cl)C(Cl)=C1 SY040727 [1,1,0,0,0,0|1,1,0]=4 398 B11R1.192 NNCC1=CC=C(F)C(F)=C1 SY048086 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.192 NOCC1=CC=C(Br)C(F)=C1 SY281779 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.192 NOCC1=CC=C(Br)C(F)=C1 SY281780 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.192 NOCC1=CC=C(Cl)C(Cl)=C1 SY281728 [1,1,0,0,0,0|1,1,0]=4 402 B11R1.192 NOCC1=CC=C(Cl)C(F)=C1 SY281675 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.192 NOCC1=CC=C(Cl)C(F)=C1 SY281676 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.192 NOCC1=CC=C(F)C(Br)=C1 SY281683 [1,1,0,0,0,0|1,1,0]=4 405 B11R1.192 NOCC1=CC=C(F)C(Br)=C1 SY281684 [1,1,0,0,0,0|1,1,0]=4 406 B11R1.192 NOCC1=CC=C(F)C(F)=C1 SY281550 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.192 NOCC1=CC=C(F)C(F)=C1 SY281551 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.192 OCCC1=CC(O)=C(O)C=C1 SY017402 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 SY030484 [1,1,0,0,0,0|1,1,0]=4 410 B11R1.1 C=CCCC1=CC=C(O)C=C1 SY045828 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.1 CCCCC1=CC=C(Br)C=C1 SY013489 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.1 CCCCC1=CC=C(I)C=C1 SY029294 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.1 CCCOC1=CC=C(O)C=C1 SY036399 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.1 CCNCC1=CC=C(Br)C=C1 SY002622 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.1 CCNCC1=CC=C(C)C=C1 SY045939 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SY002523 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.1 CCNCC1=CC=C(F)C=C1 SY002625 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.1 CCNCC1=CC=C(N)C=C1 SY003699 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.1 CCNCC1=CC=C(O)C=C1 SY018668 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.1 CNCCC1=CC=C(Cl)C=C1 SY002514 [1,1,0,0,0,0|0,0,0]=2 421 B11R1.1 COCOC1=CC=C(Br)C=C1 SY013180 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.1 FC1=CC=C(CCCI)C=C1 SY249460 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281852 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281853 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281706 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281707 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.1 OCCCC1=CC=C(Br)C=C1 SY008370 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SY062743 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [1,1,0,0,0,0|0,0,0]=2 448 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,1,0,0,0,0|2,0,0]=4 484 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 SY014252 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.450 FC1=CC(F)=CC(C(Cl)CCCl)=C1 SY252751 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.450 O[C@@H](CCCl)C1=CC(F)=CC(F)=C1 SY292169 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 SY110360 [0,2,0,0,0,0|1,1,0]=4 488 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 SY046258 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.55 CCCCCC1=CC(O)=CC(O)=C1 SY104495 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.149 CN(C)CCOC1=CC=CC(Br)=C1 SY018401 [0,2,0,0,0,0|0,1,0]=3 491 B13R1.149 CN(C)CCOC1=NC(Br)=CC=C1 SY293097 [0,2,0,0,0,0|1,1,0]=4 492 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 SY129392 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 SY020039 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 SY008349 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O SY046381 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O SY035269 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O SY035324 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 SY036074 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 SY036066 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.2872 COC(=O)CC1=CC(F)=CC=C1C SY277643 [0,2,0,0,0,0|1,0,1]=4 501 B13R1.2879 COC(=O)CC1=CC=C(N)C(F)=C1 SY297119 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 SY017165 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 SY102324 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 SY016517 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.511 O=[N+]([O-])CCC1=CC=C(F)C(F)=C1 SY266609 [0,2,0,0,0,0|1,0,1]=4 506 B11R2.35 BrC1=CC=CC(C2CC2)=C1 SY027671 [1,0,0,1,0,0|0,1,0]=3 507 B11R2.35 CC1=CC(C2CC2)=NC=C1 SY264183 [1,0,0,1,0,0|2,0,0]=4 508 B11R2.35 CC1=CC=CC(C2CC2)=C1 SY263868 [1,0,0,1,0,0|1,0,0]=3 509 B11R2.35 CC1=NC(C2CC2)=CC=C1 SY264181 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.35 ClC1=CC=CC(C2CC2)=C1 SY263836 [1,0,0,1,0,0|0,1,0]=3 511 B11R2.35 NC1=CC=CC(C2CC2)=C1 SY033396 [1,0,0,1,0,0|1,0,0]=3 512 B11R2.36 BrC1=CC2=C(C=C1)CCC2 SY040210 [1,0,0,1,0,0|0,1,0]=3 513 B11R2.36 BrC1=CC2=C(C=C1)CCN2 SY066259 [1,0,0,1,0,0|1,1,0]=4 514 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SY027426 [1,0,0,1,0,0|0,1,0]=3 515 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SY030731 [1,0,0,1,0,0|0,1,0]=3 516 B11R2.36 BrC1=CC2=C(C=C1)COC2 SY032751 [1,0,0,1,0,0|1,1,0]=4 517 B11R2.36 BrC1=CC2=C(C=C1)NCC2 SY017310 [1,0,0,1,0,0|0,1,0]=3 518 B11R2.36 BrC1=CC2=C(N=C1)NCC2 SY002908 [1,0,0,1,0,0|1,1,0]=4 519 B11R2.36 BrC1=CC=C2CCOC2=C1 SY026135 [1,0,0,1,0,0|1,1,0]=4 520 B11R2.36 BrC1=CC=C2OCCC2=C1 SY014915 [1,0,0,1,0,0|1,1,0]=4 521 B11R2.36 BrC1=CN=C2CCCC2=C1 SY042931 [1,0,0,1,0,0|1,1,0]=4 522 B11R2.36 BrC1=CN=C2CNCC2=C1 SY041929 [1,0,0,1,0,0|1,1,0]=4 523 B11R2.36 ClC1=CC2=C(C=C1)CCN2 SY019160 [1,0,0,1,0,0|1,1,0]=4 524 B11R2.36 ClC1=CC2=C(C=C1)CNC2 SY024783 [1,0,0,1,0,0|0,1,0]=3 525 B11R2.36 ClC1=CC2=C(CCC2)N=C1 SY294772 [1,0,0,1,0,0|1,1,0]=4 526 B11R2.36 ClC1=CC=C2CCCC2=N1 SY123708 [1,0,0,1,0,0|1,1,0]=4 527 B11R2.36 FC1=CC2=C(C=C1)CCN2 SY107270 [1,0,0,1,0,0|1,0,0]=3 528 B11R2.36 FC1=CC2=C(C=C1)CNC2 SY097472 [1,0,0,1,0,0|0,0,0]=2 529 B11R2.36 FC1=CC2=C(C=C1)NC=C2 SY003931 [1,0,0,1,0,0|0,0,2]=4 530 B11R2.36 FC1=CC=C2NC=NC2=C1 SY113296 [1,0,0,1,0,0|1,0,1]=4 531 B11R2.36 FC1=CC=C2NN=CC2=C1 SY003897 [1,0,0,1,0,0|1,0,1]=4 532 B11R2.36 FC1=CC=C2OCOC2=C1 SY059734 [1,0,0,1,0,0|2,0,0]=4 533 B11R2.36 NC1=CC=C2OCCC2=C1 SY010729 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.36 O=C1C=CC2=C(CCC2)N1 SY048029 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.36 OC1=CC2=C(C=N1)NCC2 SY248360 [1,0,0,1,0,0|2,0,0]=4 536 B11R2.36 OC1=CN=C2NCCC2=C1 SY263070 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.106 BrC1=C2OCCC2=CC=C1 SY021969 [1,0,0,1,0,0|1,1,0]=4 538 B11R2.106 BrC1=CC=CC2=C1CCC2 SY022574 [1,0,0,1,0,0|0,1,0]=3 539 B11R2.106 BrC1=CC=CC2=C1CCN2 SY012369 [1,0,0,1,0,0|1,1,0]=4 540 B11R2.106 BrC1=CC=CC2=C1CCN2 SY023050 [1,0,0,1,0,0|1,1,0]=4 541 B11R2.106 BrC1=CC=CC2=C1CNC2 SY006795 [1,0,0,1,0,0|0,1,0]=3 542 B11R2.106 BrC1=CC=CC2=C1COC2 SY022575 [1,0,0,1,0,0|1,1,0]=4 543 B11R2.106 BrC1=CC=CC2=C1NCC2 SY065701 [1,0,0,1,0,0|0,1,0]=3 544 B11R2.106 CC1=CC=CC2=C1CCN2 SY019161 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.106 CC1=CC=CC2=C1NCC2 SY107457 [1,0,0,1,0,0|1,0,0]=3 546 B11R2.106 FC1=C2NC=CC2=CC=C1 SY003992 [1,0,0,1,0,0|0,0,2]=4 547 B11R2.106 FC1=CC=CC2=C1CCN2 SY129312 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.106 FC1=CC=CC2=C1NN=C2 SY005531 [1,0,0,1,0,0|1,0,1]=4 549 B11R2.106 NC1=C2CCOC2=CC=C1 SY033411 [1,0,0,1,0,0|2,0,0]=4 550 B11R2.106 NC1=C2OCCC2=CC=C1 SY033410 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.106 NC1=CC=CC2=C1CCC2 SY106803 [1,0,0,1,0,0|1,0,0]=3 552 B11R2.106 NC1=CC=CC2=C1COC2 SY023225 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.106 NC1=CC=CC2=C1NCC2 SY158209 [1,0,0,1,0,0|1,0,0]=3 554 B11R2.106 OC1=CC=CC2=C1CCC2 SY107623 [1,0,0,1,0,0|1,0,0]=3 555 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [1,0,0,1,0,0|0,0,2]=4 556 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [1,0,0,1,0,0|0,0,2]=4 557 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [1,0,0,1,0,0|0,0,2]=4 558 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [1,0,0,1,0,0|0,0,2]=4 559 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [1,0,0,1,0,0|0,0,2]=4 560 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,1,0,0|1,0,1]=4 561 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [1,0,0,1,0,0|1,0,1]=4 563 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|1,0,0]=3 564 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|2,0,0]=4 565 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|2,0,0]=4 568 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|2,0,0]=4 569 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|2,0,0]=4 571 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|2,0,0]=4 572 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [1,0,0,1,0,0|2,0,0]=4 573 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [1,0,0,1,0,0|1,0,1]=4 575 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [1,0,0,1,0,0|0,0,2]=4 576 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [1,0,0,1,0,0|0,0,0]=2 577 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [1,0,0,1,0,0|1,0,0]=3 578 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [1,0,0,1,0,0|1,0,0]=3 579 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [1,0,0,1,0,0|1,0,0]=3 580 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [1,0,0,1,0,0|2,0,0]=4 581 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [1,0,0,1,0,0|1,0,0]=3 584 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [1,0,0,1,0,0|1,0,0]=3 585 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [1,0,0,1,0,0|1,0,0]=3 586 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [1,0,0,1,0,0|1,0,0]=3 587 B11R2.20 C1=NC=C2CNCCC2=N1 SY025899 [1,0,0,1,0,0|2,0,0]=4 588 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [1,0,0,1,0,0|2,0,0]=4 589 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [1,0,0,1,0,0|1,0,0]=3 590 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [1,0,0,1,0,0|1,0,0]=3 591 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [1,0,0,1,0,0|0,0,0]=2 592 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [1,0,0,1,0,0|1,0,0]=3 593 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [1,0,0,1,0,0|1,0,0]=3 594 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [1,0,0,1,0,0|1,0,0]=3 595 B11R2.352 CC1=CC(C2CNC2)=CS1 SY267173 [0,0,0,1,1,0|2,0,0]=4 596 B11R2.352 CC1=CC(C2CNC2)=CS1 SY267174 [0,0,0,1,1,0|2,0,0]=4 597 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 SY081244 [0,1,0,1,0,0|1,0,0]=3 598 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 SY008915 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 SY008576 [0,1,0,1,0,0|1,0,0]=3 600 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 SY008898 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 SY028684 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 SY174507 [0,1,0,1,0,0|1,1,0]=4 603 B13R2.162 CC1CNCC2=C1C=C(Br)C=C2 SY262273 [0,1,0,1,0,0|0,1,0]=3 604 B13R2.162 CC1CNCC2=C1C=C(Cl)C=C2 SY262274 [0,1,0,1,0,0|0,1,0]=3 605 B13R2.162 NC1=CC2=C(C=C1)CCCC2O SY006450 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.162 N[C@@H]1CCOC2=C1C=C(F)C=C2 SY020642 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 SY020636 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 SY042920 [0,1,0,1,0,0|1,1,0]=4 609 B13R2.162 O=C1CCC2=C(C1)C(F)=CC=C2 SY267880 [0,1,0,1,0,0|1,0,0]=3 610 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 SY038468 [0,1,0,1,0,0|1,0,1]=4 611 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 SY101808 [0,1,0,1,0,0|1,1,0]=4 612 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 SY174398 [0,1,0,1,0,0|1,1,0]=4 613 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 SY073306 [0,1,0,1,0,0|1,1,0]=4 614 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 SY118478 [0,1,0,1,0,0|1,1,0]=4 615 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 SY225887 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.4857 CN1C=C(Br)C2=C1C(F)=CC=C2 SY271372 [0,1,0,1,0,0|0,0,2]=4 617 B13R2.3022 CC1=C(C)C(C2CNC2)=CC=C1 SY267255 [0,1,0,1,0,0|1,0,0]=3 618 B13R2.3022 CC1=C(C)C(C2CNC2)=CC=C1 SY267256 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 SY258793 [0,1,0,1,0,0|0,0,0]=2 620 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 SY267377 [0,1,0,1,0,0|0,0,0]=2 621 B13R2.4820 BrC1=C2CCCCCC2=CC=C1 SY271866 [0,1,0,1,0,0|1,1,0]=4 622 B13R2.4820 BrC1=C2CCNCCC2=CC=C1 SY295187 [0,1,0,1,0,0|0,1,0]=3 623 B13R2.5180 CN1N=CC2=C1C=CC(F)=C2Br SY286623 [0,1,0,1,0,0|1,0,1]=4 624 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F SY047083 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.3729 OC1=CC=C2CCCCNC2=C1 SY264834 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.4818 CN1CCCC2=CC=NC(Cl)=C21 SY271863 [0,1,0,1,0,0|1,1,0]=4 627 B13R2.4818 NC1CCCC2=CC=CC(O)=C21 SY272104 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 SY022041 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 SY111693 [0,1,0,1,0,0|0,1,1]=4 630 B13R2.5179 CN1CCNC2=C1C=CC(Br)=C2 SY100501 [0,1,0,1,0,0|0,1,0]=3 631 B13R2.5179 CN1CCNC2=CC(Br)=CN=C21 SY291521 [0,1,0,1,0,0|1,1,0]=4 632 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 SY114651 [0,1,0,1,0,0|1,1,0]=4 633 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 SY263243 [0,1,0,1,0,0|0,1,1]=4 634 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 SY033451 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 SY032000 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 SY025396 [0,1,0,1,0,0|0,1,1]=4 637 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 SY123746 [0,1,0,1,0,0|0,0,1]=3 638 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 SY014075 [0,1,0,1,0,0|0,1,1]=4 639 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 SY009732 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 SY263246 [0,1,0,1,0,0|0,1,1]=4 641 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SY006674 [0,1,0,1,0,0|1,0,1]=4 642 B13R2.5190 CN1C2=CC=C(F)C=C2N=C1N SY027890 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.140 CC1=CC(C)=CC(C2CNC2)=C1 SY267207 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.140 CC1=CC(C)=CC(C2CNC2)=C1 SY267208 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.140 CC1=CC(C2CNC2)=CC(F)=C1 SY267335 [0,1,0,1,0,0|0,0,0]=2 646 B13R2.140 CC1=CC(C2CNC2)=CC(F)=C1 SY267336 [0,1,0,1,0,0|0,0,0]=2 647 B13R2.140 FC1=CC(F)=CC(C2CNC2)=C1 SY243064 [0,1,0,1,0,0|0,0,0]=2 648 B13R2.140 FC1=CC(F)=CC(C2CNC2)=C1 SY267203 [0,1,0,1,0,0|0,0,0]=2 649 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 SY110642 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.11642 O=C1CCC2=CC(Br)=CC(F)=C12 SY019565 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.11642 O=C1CCC2=CC(F)=CC(Br)=C12 SY020446 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 SY238121 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 SY013008 [0,1,0,1,0,0|1,1,0]=4 654 B13R2.174 CC1=CC=C(C)C(C2CNC2)=C1 SY267257 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.174 CC1=CC=C(C)C(C2CNC2)=C1 SY267258 [0,1,0,1,0,0|1,0,0]=3 656 B13R2.174 FC1=CC=C(F)C(C2CNC2)=C1 SY267264 [0,1,0,1,0,0|0,0,0]=2 657 B13R2.174 FC1=CC=C(F)C(C2CNC2)=C1 SY267265 [0,1,0,1,0,0|0,0,0]=2 658 B13R2.371 FC1=C2CCCCC2=C(Br)C=C1 SY273244 [0,1,0,1,0,0|1,0,0]=3 659 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2Br SY102867 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2F SY104877 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.57 COC1=CC2=C(C=C1)CNCC2 SY003118 [0,1,0,1,0,0|1,0,0]=3 662 B13R2.57 COC1=CC2=C(C=C1)CNCC2 SY018094 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.57 COC1=NC=C2CNCCC2=C1 SY271772 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.57 N#CC1=CC2=C(C=C1)CNCC2 SY112233 [0,1,0,1,0,0|1,0,0]=3 665 B13R2.1613 BrCC1=CC=CC2=C1CCCC2 SY024654 [0,1,0,1,0,0|1,1,0]=4 666 B13R2.1613 COC1=CC=CC2=C1CNCC2 SY030870 [0,1,0,1,0,0|1,0,0]=3 667 B13R2.1613 OCC1=C2CCCCC2=CC=C1 SY025660 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.2487 COC1=CC(C2CNC2)=CC=C1 SY258791 [0,1,0,1,0,0|1,0,0]=3 669 B13R2.2487 COC1=CC(C2CNC2)=CC=C1 SY267169 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.2487 COC1=CN=CC(C2CNC2)=C1 SY267565 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.2487 COC1=CN=CC(C2CNC2)=C1 SY267566 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.2487 COC1=NC=CC(C2CNC2)=C1 SY267591 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.2487 COC1=NC=CC(C2CNC2)=C1 SY267592 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.369 CC1=CC2=C(C=C1Br)CCNC2 SY253756 [0,1,0,1,0,0|0,1,0]=3 675 B13R2.522 NC1CC1C2=CC=C(F)C(F)=C2 SY286488 [0,1,0,1,0,0|2,0,0]=4 676 B13R2.522 N[C@@H]1C[C@H]1C2=CC=C(F)C(F)=C2 SY024344 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.1066 CC1=CC=C(C2CNC2)C=C1C SY267223 [0,1,0,1,0,0|1,0,0]=3 678 B13R2.1066 CC1=CC=C(C2CNC2)C=C1C SY267224 [0,1,0,1,0,0|1,0,0]=3 679 B13R2.1066 FC1=CC=C(C2CNC2)C=C1F SY267295 [0,1,0,1,0,0|0,0,0]=2 680 B13R2.1066 FC1=CC=C(C2CNC2)C=C1F SY267296 [0,1,0,1,0,0|0,0,0]=2 681 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 SY067297 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.7 CC1=CC=C(CCN)S1 SY024090 [1,0,0,0,1,0|2,0,0]=4 683 B9R1.7 CC1=CC=C(CCN)S1 SY024091 [1,0,0,0,1,0|2,0,0]=4 684 B9R1.7 NCCC1=CC(Br)=CS1 SY059871 [1,0,0,0,1,0|1,1,0]=4 685 B9R1.7 NCCC1=CC=C(Br)S1 SY058795 [1,0,0,0,1,0|1,1,0]=4