0 B12R1.891 C[Si](C)(C)C#CC1=CC=CC=C1 SY017897 [0,0,0,0,0,0|1,1,2]=4 1 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 SY015466 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SY039026 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 CC(C)NCC1=CC=CN=C1 SY028833 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 CC(C)NCC1=CC=NC=C1 SY028832 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 O=C(O)CCC1=CC=NC=C1 SY022403 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)CCC1=CN=CC=C1 SY017981 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 O=C(O)CCC1=NC=CC=C1 SY013900 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.157 CC(C)(C)OCC1=CC=CC=C1Br SY250806 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 SY247973 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.353 CC(C)(C)[N+]([O-])=CC1=CC=CC=C1 SY047550 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.353 OC(CC1=CC=CC=C1)C(F)(F)F SY250288 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 SY205781 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.509 CC(C)(C)OC1=CC=CC=C1 SY101875 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 SY096691 [0,0,0,0,1,0|1,0,0]=2 20 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SY047029 [0,0,0,0,1,0|0,0,0]=1 21 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY003488 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY011391 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 SY041912 [0,0,0,0,1,0|2,1,0]=4 24 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 SY002158 [0,0,0,0,0,1|1,1,0]=3 25 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [2,0,0,0,0,0|0,0,2]=4 54 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 SY003700 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SY007830 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SY013641 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SY003370 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SY006122 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SY016883 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 SY014559 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 SY014558 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 SY014557 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 SY062646 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SY062293 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 SY013761 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 SY022016 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 SY151943 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.106 CC(C)(C)OC1=CC=C(F)C=C1 SY298703 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.106 CC(C)(C)OC1=CC=C(I)C=C1 SY298829 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.119 CC(C)(C)OC1=CC(Br)=CC=C1 SY298927 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.119 CC(C)(C)OC1=CC=CC(Cl)=C1 SY298704 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.119 CC(C)(C)OC1=CC=CC(F)=C1 SY298707 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.119 CC1=CC(OC(C)(C)C)=CC=C1 SY040395 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.151 CC(C)(C)OC1=CC=CC=C1Br SY244485 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.151 CC(C)(C)OC1=CC=CC=C1I SY298865 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.151 CC(C)(O)CC1=CC=CC=C1Cl SY035186 [0,1,0,0,1,0|0,0,0]=2 104 B12R1.151 CC1=C(OC(C)(C)C)C=CC=C1 SY298710 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.564 CC(C)(C)C(N)C1=CC=CN=C1 SY265076 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.564 CC(C)(C)C(N)C1=CC=NC=C1 SY265074 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.564 CC(C)(C)C(N)C1=NC=CC=C1 SY265078 [0,1,0,0,1,0|2,0,0]=4 108 B14R1.292 C=CC(C)(O)CNCC1=CC=CC=C1 SY266265 [0,1,0,0,0,1|0,0,1]=3 109 B14R1.3099 CC(C)(C)C(=O)CCC1=CC=CN=C1 SY004011 [0,1,0,0,0,1|2,0,0]=4 110 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 SY253574 [0,1,0,0,0,1|1,0,1]=4 111 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 SY018846 [0,1,0,0,0,1|0,0,1]=3 112 B14R1.6829 C#CCC(C)(C)OCC1=CC=CC=C1 SY308384 [0,2,0,0,0,0|2,0,0]=4 113 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [1,0,0,1,0,0|0,0,2]=4 114 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [1,0,0,1,0,0|0,0,0]=2 121 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 SY002735 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.92 FC1(F)CC1C2=CC=CC=C2 SY295850 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SY028834 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 SY023290 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SY246293 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 SY028835 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.2403 CC1(C)C=CC2=C1C=CC=C2 SY297315 [1,0,0,1,0,0|0,0,2]=4 128 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [1,0,0,1,0,0|1,0,0]=3 129 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [1,0,0,1,0,0|1,0,0]=3 131 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [1,0,0,1,0,0|1,0,1]=4 132 B12R2.95 CC1(C)OC2=CC=CC=C2O1 SY043089 [0,0,0,1,1,0|1,0,0]=3 133 B14R2.8039 CC1(C)COC2=C(N)C=CC=C2N1 SY296535 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 SY060985 [0,1,0,1,0,0|0,0,1]=3 135 B14R2.639 CC1(C)OC2=CC=CC=C2NC1=O SY130765 [0,1,0,1,0,0|1,0,1]=4 136 B14R2.4491 CC1(C)CNC2=C(C=C(Br)C=C2)C1 SY262756 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.4493 CC1(C)C=CC2=C(C=CC(N)=C2)O1 SY244488 [0,1,0,1,0,0|0,0,2]=4 138 B14R2.4493 CC1(C)CCC2=C(C=CC(Br)=C2)N1 SY222405 [0,1,0,1,0,0|1,0,0]=3 139 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 SY233741 [0,0,0,2,0,0|1,0,0]=3 140 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,0,0,0,1,0|0,0,2]=4 141 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [1,0,0,0,1,0|1,0,0]=3 142 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,0,0,0,1,0|0,0,0]=2 143 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [1,0,0,0,1,0|2,0,0]=4 144 B10R1.28 CC(C)(C)C1=CC=NC=C1 SY010877 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.28 CC(C)(N)C1=CC=CC=C1 SY025865 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY010718 [0,0,0,0,2,0|2,0,0]=4 147 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY012360 [0,0,0,0,2,0|2,0,0]=4 148 B10R1.28 CC(C)(N)C1=CC=CN=C1 SY022602 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.28 CC(C)(N)C1=CC=NC=C1 SY011554 [0,0,0,0,2,0|2,0,0]=4 150 B10R1.28 CC(C)(O)C1=CC=CC=C1 SY021550 [0,0,0,0,2,0|0,0,0]=2 151 B10R1.28 CC(C)(O)C1=CC=CN=C1 SY240215 [0,0,0,0,2,0|1,0,0]=3 152 B10R1.28 CC(C)(O)C1=CC=NC=C1 SY006264 [0,0,0,0,2,0|1,0,0]=3 153 B10R1.28 CC(C)(O)C1=NC=CC=C1 SY064823 [0,0,0,0,2,0|1,0,0]=3 154 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [1,0,0,0,0,1|0,0,2]=4 155 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [1,0,0,0,0,1|0,0,0]=2 156 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [1,0,0,0,0,1|0,0,0]=2 157 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [1,0,0,0,0,1|0,0,0]=2 158 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [1,0,0,0,0,1|0,0,0]=2 159 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [1,0,0,0,0,1|1,0,1]=4 160 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [1,0,0,0,0,1|1,0,1]=4 161 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [1,0,0,0,0,1|1,0,1]=4 162 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [1,0,0,0,0,1|1,0,1]=4 163 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [1,0,0,0,0,1|1,0,1]=4