0 B12R1.252 O=C(O)CCCC1=CC=CC=C1 OR2390 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 O=C(O)CCOC1=CC=CC=C1 OR13898 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C(O)CNCC1=CC=CC=C1 OR2793 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 O=C(O)COCC1=CC=CC=C1 OR17515 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.28 C#CCCCC1=CC=CC=C1 OR5277 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.28 C=CCNCC1=CC=CC=C1 OR906976 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.28 CNCCOC1=CC=CC=C1 OR0179 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NOCCOC1=CC=CC=C1 OR12930 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 O=C=NCCC1=CC=CC=C1 OR11236 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 O=CCOCC1=CC=CC=C1 OR43518 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [1,0,0,0,0,0|0,0,1]=2 20 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 OR24077 [0,1,0,0,0,0|0,0,3]=4 21 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 OR6625 [0,1,0,0,0,0|0,0,1]=2 22 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O OR14697 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O OR14698 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 OR9775 [0,1,0,0,0,0|0,0,1]=2 25 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 OR28212 [0,1,0,0,0,0|0,0,3]=4 26 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 OR7681 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 OR43526 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.513 O=C(O)CCNC1=CC=C(Cl)N=N1 OR14947 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 OR962585 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.718 CC(CO)COCC1=CC=CC=C1 OR8171 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR307134 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR40516 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR307133 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR40517 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 OR13488 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.718 OCC(O)COCC1=CC=CC=C1 OR7701T [0,1,0,0,0,0|1,0,2]=4 37 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 OR315177 [0,1,0,0,0,0|1,0,2]=4 38 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 OR55211 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [0,0,0,1,0,0|2,0,0]=3 40 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [0,0,0,1,0,0|2,0,0]=3 41 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 OR14525 [0,0,0,1,0,0|2,1,0]=4 43 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 OR14519 [0,0,0,1,0,0|2,1,0]=4 44 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 OR14526 [0,0,0,1,0,0|2,1,0]=4 45 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 OR14520 [0,0,0,1,0,0|2,1,0]=4 46 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 OR309026 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 OR8019 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 OR7859 [0,0,0,1,0,0|0,0,2]=3 49 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 OR5873 [0,0,0,1,0,0|1,0,2]=4 50 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 OR16562 [0,0,0,1,0,0|1,0,2]=4 51 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 OR23171 [0,0,0,1,0,0|1,0,2]=4 52 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 OR5104 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 OR7099 [0,0,0,1,0,0|0,0,0]=1 54 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 OR59934 [0,0,0,1,0,0|0,0,0]=1 55 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 OR315270 [0,0,0,1,0,0|2,0,1]=4 56 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [0,0,0,0,1,0|2,0,1]=4 58 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [0,0,0,0,1,0|1,0,1]=3 59 B11R1.91 N=C(N)COC1=CC=CC=C1 OR29775 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.91 N=C(N)CSC1=CC=CC=C1 OR29804 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.91 NC(=O)NCC1=CC=CN=C1 OR61328 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [0,0,0,0,1,0|2,0,0]=3 63 B11R1.91 NC(=S)NCC1=CC=CC=C1 OR4845 [0,0,0,0,1,0|2,1,0]=4 64 B11R1.91 NC(N)=NCC1=CC=CC=C1 OR61212 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [0,0,0,0,1,0|1,0,0]=2 66 B11R1.91 O=C(O)C#CC1=CC=CN=C1 OR470617 [0,0,0,0,1,0|1,0,2]=4 67 B11R1.91 O=C(O)C=CC1=CC=CC=N1 OR6591 [0,0,0,0,1,0|1,0,2]=4 68 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [0,0,0,0,1,0|0,0,0]=1 69 B11R1.91 O=C(O)CCC1=CC=CN=C1 OR0840 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.91 O=C(O)CCC1=CC=NC=C1 OR1370 [0,0,0,0,1,0|1,0,0]=2 71 B11R1.91 O=C(O)COC1=CN=CC=C1 OR300774 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.91 O=C(O)CSC1=CC=NC=C1 OR18288 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 OR2364 [0,0,0,0,1,0|0,0,2]=3 74 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 OR30410 [0,0,0,0,1,0|1,0,2]=4 75 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 OR6984 [0,0,0,0,1,0|1,0,2]=4 76 B11R1.91 OB(O)CCC1=CC=CC=C1 OR4006 [0,0,0,0,1,0|1,0,1]=3 77 B11R1.172 O=C(O)CCCN1C=NC=N1 OR7105 [0,0,0,0,1,0|3,0,0]=4 78 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 OR21264 [0,0,0,0,0,1|0,0,3]=4 79 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 OR4177 [0,0,0,0,0,1|0,0,0]=1 80 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 OR301190 [0,0,0,0,0,1|0,0,0]=1 81 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.17 BrCCOC1=CC=CC=C1 OR0698 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.17 C=CCCC1=CC=CC=C1 OR51831 [2,0,0,0,0,0|0,0,1]=3 84 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 ClCCSC1=CC=CC=C1 OR10842 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.17 NCCOC1=CC=CC=C1 OR27353 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.17 O=C=NCC1=CC=CC=C1 OR30456 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.17 O=CC#CC1=CC=CC=C1 OR322250 [2,0,0,0,0,0|0,0,2]=4 90 B10R1.17 O=CC=CC1=CC=CC=C1 OR55404 [2,0,0,0,0,0|0,0,2]=4 91 B10R1.17 O=C\C=C\C1=CC=CC=C1 OR9517 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 OCC#CC1=CC=CC=C1 OR5529 [2,0,0,0,0,0|0,0,2]=4 93 B10R1.17 OCCNC1=CC=CC=C1 OR42170 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.17 OCCOC1=CC=CC=C1 OR4481 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.17 [O-]CCNC1=CC=CC=C1 OR55494 [2,0,0,0,0,0|1,0,1]=4 96 B12R1.1 CCCCCC1=CC=C(Br)C=C1 OR3070 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.8 BrCCCCCC1=CC=CC=C1 OR8183 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.8 BrCCCOCC1=CC=CC=C1 OR22888 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.8 C=CCCNCC1=CC=CC=C1 OR30936 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.8 CNCCCCC1=CC=CC=C1 OR12593 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.8 N#CCCOCC1=CC=CC=C1 OR110744 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.8 NCCCNCC1=CC=CC=C1 OR301059 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.27 C#CC(O)CCC1=CC=CC=C1 OR52547 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.30 CNCCC(O)C1=CC=CC=C1 OR1059 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 OR28913 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 OR26023 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 OR3036 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 OR4248 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 OR18348 [0,1,0,0,1,0|0,0,2]=4 110 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 OR11317 [0,1,0,0,1,0|0,0,2]=4 111 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 OR4789 [0,1,0,0,1,0|0,0,0]=2 112 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 OR5894 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 OR52691 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 OR3085 [0,1,0,0,1,0|0,0,0]=2 115 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 OR7880 [0,1,0,0,1,0|0,0,0]=2 116 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 OR6478 [0,1,0,0,1,0|0,0,0]=2 117 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 OR6534 [0,1,0,0,1,0|0,0,0]=2 118 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 OR957092 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 OR46027 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 OR6580 [0,1,0,0,1,0|0,0,2]=4 121 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 OR6578 [0,1,0,0,1,0|0,0,2]=4 122 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 OR55198 [0,1,0,0,1,0|0,0,2]=4 123 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O OR18022 [0,1,0,0,1,0|0,0,1]=3 124 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O OR12736 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 OR964553 [0,1,0,0,1,0|1,0,0]=3 126 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O OR14725 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O OR14723 [0,1,0,0,1,0|1,0,0]=3 128 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR14721 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR70012 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O OR0702 [0,1,0,0,1,0|0,0,0]=2 131 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O OR14726 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR14724 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR55414 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O OR14722 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 OR14807 [0,1,0,0,1,0|1,0,1]=4 136 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 OR12814 [0,1,0,0,1,0|1,0,1]=4 137 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 OR29067 [0,1,0,0,1,0|0,0,2]=4 138 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 OR13352 [0,1,0,0,1,0|0,0,0]=2 139 B12R1.107 O=C(O)C=C(Br)C1=CC=CC=C1 OR26299 [0,1,0,0,1,0|0,0,2]=4 140 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 OR13560 [0,1,0,0,1,0|1,0,1]=4 141 B12R1.125 O=C(O)C=CC1=C(Cl)C=CC=C1 OR0066 [0,1,0,0,1,0|0,0,2]=4 142 B12R1.125 O=C(O)C=CC1=C(O)C=CC=C1 OR40640 [0,1,0,0,1,0|0,0,2]=4 143 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 OR3083 [0,1,0,0,1,0|0,0,0]=2 144 B12R1.125 O=C(O)CCC1=CC=CC=C1I OR6479 [0,1,0,0,1,0|0,0,0]=2 145 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 OR8979 [0,1,0,0,1,0|0,0,0]=2 146 B12R1.226 O=C(O)C=CC1=CC(Br)=CC=C1 OR6579 [0,1,0,0,1,0|0,0,2]=4 147 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 OR3084 [0,1,0,0,1,0|0,0,0]=2 148 B12R1.226 O=C(O)CCC1=CC(I)=CC=C1 OR17663 [0,1,0,0,1,0|0,0,0]=2 149 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 OR13022 [0,1,0,0,1,0|0,0,0]=2 150 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 OR6577 [0,1,0,0,1,0|0,0,2]=4 151 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 OR5957 [0,1,0,0,1,0|0,0,2]=4 152 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 OR8834 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 OR22141 [0,1,0,0,1,0|1,0,1]=4 154 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 OR303159 [0,1,0,0,0,1|0,0,0]=2 155 B14R1.423 N\C(=N/C1=CC=CC=C1)NCC(=O)O OR13805 [0,1,0,0,0,1|1,0,1]=4 156 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 OR8143 [0,1,0,0,0,1|1,0,1]=4 157 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 OR300523 [0,1,0,0,0,1|0,0,0]=2 158 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 OR933371 [0,1,0,0,0,1|0,0,0]=2 159 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 OR54477 [0,1,0,0,0,1|1,0,1]=4 160 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O OR45125 [0,1,0,0,0,1|0,0,0]=2 161 B14R1.160 O=C(O)CNC(=O)C1=C(O)C=CC=C1 OR4276 [0,2,0,0,0,0|1,0,1]=4 162 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 OR30088 [0,2,0,0,0,0|0,0,1]=3 163 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 OR961236 [0,2,0,0,0,0|1,0,0]=3 164 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 OR1986 [0,2,0,0,0,0|0,0,1]=3 165 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 OR2194 [0,2,0,0,0,0|0,0,0]=2 166 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 OR2367 [0,2,0,0,0,0|1,0,0]=3 167 B12R2.1 ON=C1CCC2=CC=CC=C21 OR26239 [1,0,0,1,0,0|1,0,1]=4 168 B12R2.2 C1=CC=C(C2CCCN2)C=C1 OR12503 [1,0,0,1,0,0|1,0,1]=4 169 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR12549 [1,0,0,1,0,0|2,0,0]=4 170 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR16975 [1,0,0,1,0,0|2,0,0]=4 171 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 OR321342 [1,0,0,1,0,0|1,0,1]=4 172 B12R2.27 O=CC1CC1C2=CC=NC=C2 OR12437 [1,0,0,1,0,0|1,0,0]=3 173 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 OR40591 [1,0,0,1,0,0|1,0,1]=4 174 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 OR40592 [1,0,0,1,0,0|1,0,1]=4 175 B12R2.1081 O=C1CCCC2=C1C=CC=N2 OR17531 [1,0,0,1,0,0|1,0,0]=3 176 B12R2.1081 O=C1CCCC2=C1N=CC=C2 OR301103 [1,0,0,1,0,0|1,0,0]=3 177 B12R2.1081 O=C1CCCC2=CC=CC=C12 OR11043 [1,0,0,1,0,0|0,0,0]=2 178 B12R2.1081 O=C1CCOC2=CC=CC=C12 OR22417 [1,0,0,1,0,0|1,0,0]=3 179 B12R2.1081 O=C1NCCC2=CC=CC=C12 OR300090 [1,0,0,1,0,0|1,0,0]=3 180 B12R2.1081 OB1OCCC2=C1C=CC=C2 OR3329 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.1081 OC1CCCC2=CC=CC=C21 OR24205 [1,0,0,1,0,0|0,0,1]=3 182 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 OR7098 [0,0,0,1,1,0|1,0,0]=3 183 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 OR4829 [0,0,0,1,1,0|1,0,0]=3 184 B12R2.24 O=C1CCC2=CC=CN=C2N1 OR16683 [0,0,0,1,1,0|2,0,0]=4 185 B12R2.24 O=C1CSC2=CC=CC=C2N1 OR7000 [0,0,0,1,1,0|2,0,0]=4 186 B14R2.2 CC(=O)N[C@H]1CCC2=C1C=CC=C2 OR55423 [0,0,0,1,0,1|1,0,0]=3 187 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 OR5064 [0,0,0,1,0,1|0,0,2]=4 188 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 OR9145 [0,0,0,1,0,1|0,0,2]=4 189 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 OR100752 [0,0,0,1,0,1|0,0,2]=4 190 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 OR8018 [0,0,0,1,0,1|1,0,1]=4 191 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 OR7034 [0,0,0,1,0,1|1,0,1]=4 192 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 OR301019 [0,0,0,1,0,1|1,0,0]=3 193 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 OR8747 [0,0,0,1,0,1|1,0,0]=3 194 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 OR8727 [0,0,0,1,0,1|1,0,0]=3 195 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 OR4621 [0,0,0,1,0,1|1,0,1]=4 196 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 OR4620 [0,0,0,1,0,1|1,0,1]=4 197 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 OR14521 [0,0,0,1,0,1|1,1,0]=4 198 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 OR14528 [0,0,0,1,0,1|1,1,0]=4 199 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 OR14522 [0,0,0,1,0,1|1,1,0]=4 200 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 OR301159 [0,0,0,1,0,1|1,0,0]=3 201 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 OR317118 [0,0,0,1,0,1|1,0,1]=4 202 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 OR4201 [0,0,0,1,0,1|0,0,0]=2 203 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 OR5040 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 OR4181 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 OR923203 [0,1,0,1,0,0|0,0,0]=2 206 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 OR22023 [0,1,0,1,0,0|0,0,1]=3 207 B14R2.22 NC1=CC=CC(C2CNC(=O)C2)=C1 OR40612 [0,1,0,1,0,0|2,0,0]=4 208 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 OR7441 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 OR25617 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.8053 CC(=O)N1CCC2=C1C(N)=CC=C2 OR2666 [0,1,0,1,0,0|2,0,0]=4 211 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 OR6306 [0,1,0,1,0,0|0,0,2]=4 212 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)O1 OR103651 [0,1,0,1,0,0|1,0,1]=4 213 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 OR103650 [0,1,0,1,0,0|1,0,1]=4 214 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 OR42111 [0,1,0,1,0,0|0,0,0]=2 215 B14R2.781 O=C(Cl)C1COC2=C(C=CC=C2)O1 OR8020 [0,1,0,1,0,0|2,0,0]=4 216 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 OR23377 [0,1,0,1,0,0|1,0,1]=4 217 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 OR28891 [0,1,0,1,0,0|1,0,0]=3 218 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 OR3409 [0,1,0,1,0,0|1,0,0]=3 219 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 OR14710 [0,1,0,1,0,0|1,0,0]=3 220 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 OR10970 [0,1,0,1,0,0|1,0,0]=3 221 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 OR21103 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 OR40549 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 OR2669 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.95 COC(=O)C1=CCC2=CC=CC=C21 OR7915 [0,1,0,1,0,0|0,0,2]=4 225 B14R2.4514 CN1C(=O)CCC1C2=CC=CC=N2 OR2505 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 OR7251T [0,1,0,1,0,0|2,0,0]=4 227 B10R1.18 CC(=O)CC1=NC=CC=C1 OR302235 [0,0,0,0,2,0|2,0,0]=4 228 B10R1.18 CC(=O)OC1=CC=CC=C1 OR5316 [0,0,0,0,2,0|2,0,0]=4 229 B10R1.18 CC(O)CC1=CC=CC=C1 OR8956 [0,0,0,0,2,0|1,0,1]=4 230 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 OR150 [0,0,0,0,2,0|1,0,1]=4 231 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [0,0,0,0,2,0|1,0,0]=3 232 B10R1.18 O=C(Cl)CC1=CC=CC=C1 OR2206 [0,0,0,0,2,0|1,0,0]=3 233 B10R1.18 O=C(O)CC1=CC=CN=C1 OR5061 [0,0,0,0,2,0|1,0,0]=3 234 B10R1.18 O=C(O)CC1=CC=CN=C1 OR6262 [0,0,0,0,2,0|1,0,0]=3 235 B10R1.18 O=C(O)CC1=CC=NC=C1 OR313081 [0,0,0,0,2,0|1,0,0]=3 236 B10R1.18 O=C(O)CC1=CN=CN=C1 OR17835 [0,0,0,0,2,0|2,0,0]=4 237 B10R1.18 O=C(O)CC1=NC=CC=C1 OR20009 [0,0,0,0,2,0|1,0,0]=3 238 B10R1.18 O=C(O)CC1=NC=CN=C1 OR313069 [0,0,0,0,2,0|2,0,0]=4 239 B10R1.18 OB(O)CC1=CC=CC=C1 OR6221 [0,0,0,0,2,0|1,0,1]=4 240 B10R1.66 O=C(O)CCC1=CC=CO1 OR3886 [0,0,0,0,2,0|1,0,0]=3 241 B10R1.66 O=C(O)CCC1=CNC=N1 OR4318 [0,0,0,0,2,0|2,0,0]=4 242 B10R1.66 O=C(O)CCN1C=CN=C1 OR14498 [0,0,0,0,2,0|2,0,0]=4 243 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 OR4175 [0,0,0,0,0,2|0,0,0]=2