0 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.252 O=C(O)CCCC1=NC=CC=C1 SY110052 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 SY083558 [0,0,0,0,0,0|0,0,2]=2 12 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [0,0,0,0,0,0|0,0,1]=1 13 B12R1.252 O=[N+]([O-])CCCC1=CC=CC=C1 SY266519 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [1,0,0,0,0,0|0,0,1]=2 32 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 SY004280 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 SY004279 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SY011505 [0,1,0,0,0,0|0,0,1]=2 41 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 SY041590 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.149 CC1=CC(OCCC(=O)O)=CC=C1 SY008360 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 SY129392 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 SY020039 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 SY008354 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 SY008349 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 SY129393 [0,1,0,0,0,0|0,0,2]=3 48 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 SY008361 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl SY008355 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SY008013 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 SY273281 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SY225087 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SY110088 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SY225455 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SY065308 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SY254222 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.351 C[C@@H](O)[C@@H](C)OCC1=CC=CC=C1 SY261830 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)Cl SY283218 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O SY179876 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O SY150471 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SY012060 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O SY012187 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.351 O=C(Cl)C(=O)OCC1=CC=CC=C1 SY292158 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 SY103177 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 SY030207 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 SY039298 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SY006986 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 SY033190 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SY039290 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SY031852 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 SY123396 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SY008353 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.718 C=C(CO)COCC1=CC=CC=C1 SY271912 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 SY049056 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.718 COC(=O)CCNC1=CC=CC=C1 SY028349 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.718 COC(=O)CNCC1=CC=CC=C1 SY174443 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.718 NNC(=O)COCC1=CC=CC=C1 SY185971 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.718 OCC(O)COCC1=CC=CC=C1 SY101546 [0,1,0,0,0,0|1,0,2]=4 79 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 SY052440 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SY035743 [0,0,0,1,0,0|2,0,1]=4 81 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [0,0,0,1,0,0|2,0,0]=3 82 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.10 O=C1NCC(C2=NC=CC=C2)N1 SY039518 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 SY042515 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 SY014531 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SY004104 [0,0,0,1,0,0|1,0,2]=4 90 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 SY021563 [0,0,0,1,0,0|1,0,2]=4 91 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 SY003148 [0,0,0,1,0,0|2,0,1]=4 92 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 SY023759 [0,0,0,1,0,0|0,0,0]=1 93 B13R2.163 O=C1CCCC2=CC=CC=C2N1 SY017407 [0,0,0,1,0,0|1,0,0]=2 94 B13R2.163 O=C1CCNC2=CC=CC=C2N1 SY079183 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.163 O=C1CCNC2=NC=CC=C2N1 SY019671 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SY056952 [0,0,0,1,0,0|0,0,0]=1 97 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 SY033158 [0,0,0,1,0,0|1,0,0]=2 98 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY028926 [0,0,0,1,0,0|0,0,0]=1 99 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY260952 [0,0,0,1,0,0|0,0,0]=1 100 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CN=C2 SY273782 [0,0,0,1,0,0|1,0,0]=2 101 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY152256 [0,0,0,1,0,0|0,0,0]=1 102 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 SY007924 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 SY021000 [0,0,0,1,0,0|2,0,1]=4 104 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [0,0,0,0,1,0|1,0,2]=4 105 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [0,0,0,0,1,0|1,0,0]=2 106 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [0,0,0,0,1,0|3,0,0]=4 107 B11R1.91 N=C(N)COC1=CC=CC=C1 SY003970 [0,0,0,0,1,0|3,0,0]=4 108 B11R1.91 NC(=O)CCC1=CC=CN=C1 SY022419 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.91 NC(=O)CCC1=CC=NC=C1 SY022418 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.91 NC(=O)CCC1=NC=CC=C1 SY022420 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [0,0,0,0,1,0|2,0,0]=3 112 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SY023402 [0,0,0,0,1,0|0,0,2]=3 114 B11R1.91 O=C(O)C#CC1=CC=CN=C1 SY022409 [0,0,0,0,1,0|1,0,2]=4 115 B11R1.91 O=C(O)C#CC1=CC=NC=C1 SY022408 [0,0,0,0,1,0|1,0,2]=4 116 B11R1.91 O=C(O)C#CC1=NC=CC=C1 SY022410 [0,0,0,0,1,0|1,0,2]=4 117 B11R1.91 O=C(O)C=CC1=CC=NC=C1 SY036404 [0,0,0,0,1,0|1,0,2]=4 118 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [0,0,0,0,1,0|0,0,0]=1 119 B11R1.91 O=C(O)CCC1=CC=NC=C1 SY022403 [0,0,0,0,1,0|1,0,0]=2 120 B11R1.91 O=C(O)CCC1=CN=CC=C1 SY017981 [0,0,0,0,1,0|1,0,0]=2 121 B11R1.91 O=C(O)CCC1=NC=CC=C1 SY013900 [0,0,0,0,1,0|1,0,0]=2 122 B11R1.91 O=C(O)COC1=CC=CN=C1 SY110065 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 SY009573 [0,0,0,0,1,0|1,0,2]=4 124 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 SY016110 [0,0,0,0,1,0|1,0,2]=4 125 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [0,0,0,0,1,0|1,0,1]=3 126 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [0,0,0,0,1,0|1,0,1]=3 127 B11R1.172 O=C(O)CCCC1=CC=CS1 SY005888 [0,0,0,0,1,0|1,0,0]=2 128 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 SY033240 [0,0,0,0,0,1|1,0,2]=4 129 B13R1.337 CC(=O)OCCCC1=CC=NC=C1 SY263052 [0,0,0,0,0,1|2,0,0]=3 130 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SY048274 [0,0,0,0,0,1|0,0,0]=1 131 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 SY110459 [0,0,0,0,0,1|0,0,0]=1 132 B13R1.337 O=C(O)\C=C\OCC1=CC=CC=C1 SY253624 [0,0,0,0,0,1|0,0,2]=3 133 B13R1.337 O=[N+]([O-])CCCCC1=CC=CC=C1 SY266590 [0,0,0,0,0,1|1,0,1]=3 134 B13R1.337 O=[N+]([O-])CCCOC1=CC=CC=C1 SY266542 [0,0,0,0,0,1|1,0,1]=3 135 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.17 O=CC#CC1=CC=CC=C1 SY015622 [2,0,0,0,0,0|0,0,2]=4 156 B10R1.17 O=CNCC1=NC=CC=C1 SY236692 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [2,0,0,0,0,0|0,0,2]=4 158 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [2,0,0,0,0,0|0,0,0]=2 159 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [2,0,0,0,0,0|0,0,2]=4 163 B12R1.1 O=C=NCCC1=CC=C(Br)C=C1 SY248184 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.8 BrCCCCOC1=CC=CC=C1 SY010804 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.8 BrCCCOCC1=CC=CC=C1 SY013896 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.8 C1=CC=C(COCCC=C)C=C1 SY246307 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.8 C=CCCOCC1=CC=CC=C1 SY039729 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.8 C=CCCSCC1=CC=CC=C1 SY312326 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.8 NNCCCOC1=CC=CC=C1 SY048098 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.8 NOCCCOC1=CC=CC=C1 SY281786 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.8 NOCCCOC1=CC=CC=C1 SY281787 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.8 NOCCOCC1=CC=CC=C1 SY281790 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.8 NOCCOCC1=CC=CC=C1 SY281791 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.8 OCCCNCC1=CC=CC=C1 SY004678 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.8 OCCCOCC1=CC=CC=C1 SY015683 [1,1,0,0,0,0|0,0,1]=3 176 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.28 OCCCOC1=CC=CC(F)=C1 SY046394 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.30 CNCCC(O)C1=CC=CC=C1 SY050893 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [0,1,0,0,1,0|1,0,0]=3 182 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SY007830 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SY003984 [0,1,0,0,1,0|0,0,2]=4 185 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SY079645 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 SY003740 [0,1,0,0,1,0|0,0,2]=4 187 B12R1.21 O=C(O)C=CC1=CC=C(F)C=C1 SY036413 [0,1,0,0,1,0|0,0,2]=4 188 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 SY015618 [0,1,0,0,1,0|0,0,2]=4 189 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SY013641 [0,1,0,0,1,0|0,0,0]=2 190 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SY003370 [0,1,0,0,1,0|0,0,0]=2 191 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SY006122 [0,1,0,0,1,0|0,0,0]=2 192 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SY016883 [0,1,0,0,1,0|0,0,0]=2 193 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SY012298 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SY003346 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SY049560 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SY012252 [0,1,0,0,1,0|0,0,2]=4 197 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SY020906 [0,1,0,0,1,0|0,0,2]=4 198 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 SY266526 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [0,1,0,0,1,0|0,0,1]=3 200 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,1,0,0,1,0|0,0,0]=2 201 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [0,1,0,0,1,0|0,0,0]=2 205 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SY057601 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O SY057718 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [0,1,0,0,1,0|0,0,0]=2 208 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SY033040 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [0,1,0,0,1,0|0,0,0]=2 210 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,1,0,0,1,0|0,0,0]=2 211 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,1,0,0,1,0|0,0,0]=2 212 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,1,0,0,1,0|0,0,0]=2 213 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,1,0,0,1,0|1,0,1]=4 214 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 SY008636 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,1,0,0,1,0|0,0,0]=2 218 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,1,0,0,1,0|0,0,0]=2 219 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,1,0,0,1,0|0,0,0]=2 220 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 SY013379 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,1,0,0,1,0|0,0,0]=2 223 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SY045029 [0,1,0,0,1,0|0,0,1]=3 224 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,1,0,0,1,0|0,0,0]=2 225 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [0,1,0,0,1,0|0,0,2]=4 226 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [0,1,0,0,1,0|0,0,0]=2 227 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [0,1,0,0,1,0|0,0,0]=2 228 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [0,1,0,0,1,0|0,0,0]=2 229 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [0,1,0,0,1,0|0,0,0]=2 230 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [0,1,0,0,1,0|0,0,0]=2 231 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,1,0,0,1,0|0,0,0]=2 232 B12R1.125 O=C(O)CCC1=NC=CC=C1Br SY244454 [0,1,0,0,1,0|1,0,0]=3 233 B12R1.125 O=C(O)COC1=CC=CC=C1F SY008332 [0,1,0,0,1,0|1,0,0]=3 234 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SY009527 [0,1,0,0,1,0|0,0,2]=4 235 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SY003739 [0,1,0,0,1,0|0,0,2]=4 236 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O SY048367 [0,1,0,0,1,0|0,0,2]=4 237 B12R1.125 O=[N+]([O-])CCC1=CC=CC=C1Cl SY266525 [0,1,0,0,1,0|1,0,1]=4 238 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 SY062646 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SY003985 [0,1,0,0,1,0|0,0,2]=4 240 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 SY032519 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SY062293 [0,1,0,0,1,0|0,0,0]=2 242 B12R1.226 O=C(Cl)COC1=CC=CC(F)=C1 SY128814 [0,1,0,0,1,0|2,0,0]=4 243 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 SY013761 [0,1,0,0,1,0|0,0,0]=2 244 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [0,1,0,0,1,0|0,0,0]=2 245 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [0,1,0,0,1,0|0,0,0]=2 246 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 SY022016 [0,1,0,0,1,0|0,0,0]=2 247 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 SY008336 [0,1,0,0,1,0|1,0,0]=3 248 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 SY122974 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SY008331 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 SY003741 [0,1,0,0,1,0|0,0,2]=4 251 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SY012681 [0,1,0,0,1,0|0,0,2]=4 252 B12R1.226 O=[N+]([O-])CCC1=CC=CC(Cl)=C1 SY266524 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.226 O=[N+]([O-])CCC1=CC=CC(F)=C1 SY266555 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SY039026 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 SY005887 [0,1,0,0,1,0|1,0,1]=4 256 B14R1.148 O=C(O)CC\C=C\C1=CC=CC(Br)=C1 SY272635 [0,1,0,0,0,1|0,0,1]=3 257 B14R1.159 O=[N+]([O-])CCCOC1=CC=CC=C1F SY266601 [0,1,0,0,0,1|1,0,1]=4 258 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SY023883 [0,1,0,0,0,1|0,0,0]=2 259 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 SY024957 [0,1,0,0,0,1|0,0,0]=2 260 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 SY251284 [0,1,0,0,0,1|1,0,0]=3 261 B14R1.716 O=C(CBr)CCOCC1=CC=CC=C1 SY265577 [0,1,0,0,0,1|1,0,0]=3 262 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SY015679 [0,1,0,0,0,1|1,0,1]=4 263 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O SY013389 [0,1,0,0,0,1|0,0,0]=2 264 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 SY259398 [0,1,0,0,0,1|0,0,1]=3 265 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O SY110090 [0,1,0,0,0,1|0,0,0]=2 266 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O SY034124 [0,1,0,0,0,1|0,0,0]=2 267 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O SY034131 [0,1,0,0,0,1|0,0,0]=2 268 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(F)=C1 SY143661 [0,2,0,0,0,0|0,0,1]=3 269 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SY009084 [0,2,0,0,0,0|0,0,1]=3 270 B14R1.163 O=C(CBr)NCC(O)C1=CC=CC=C1 SY271556 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.163 O=C(CCl)NCC(O)C1=CC=CC=C1 SY271555 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O SY033280 [0,2,0,0,0,0|1,0,1]=4 273 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O SY122663 [0,2,0,0,0,0|1,0,1]=4 274 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SY032321 [0,2,0,0,0,0|0,0,1]=3 275 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 SY006987 [0,2,0,0,0,0|0,0,1]=3 276 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 SY008025 [0,2,0,0,0,0|0,0,1]=3 277 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 SY240171 [0,2,0,0,0,0|0,0,1]=3 278 B14R1.76 COC1=CC(OCCC(=O)O)=CC=C1 SY008351 [0,2,0,0,0,0|1,0,0]=3 279 B14R1.76 N#CC1=CC(OCCC(=O)O)=CC=C1 SY008357 [0,2,0,0,0,0|1,0,0]=3 280 B14R1.5978 NC(CC(=O)O)CC1=CC=CC(Br)=C1 SY225046 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.5978 NC(CC(=O)O)CC1=CC=CC(Cl)=C1 SY225049 [0,2,0,0,0,0|0,0,0]=2 282 B14R1.5978 NC(CC(=O)O)CC1=CC=CC(F)=C1 SY224955 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.5978 NC(CC(=O)O)CC1=CC=CC(O)=C1 SY224947 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.96 COC1=CC=CC=C1OCCC(=O)O SY008352 [0,2,0,0,0,0|1,0,0]=3 285 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O SY008358 [0,2,0,0,0,0|1,0,0]=3 286 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O SY225010 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Br SY225023 [0,2,0,0,0,0|0,0,0]=2 288 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Cl SY224975 [0,2,0,0,0,0|0,0,0]=2 289 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1F SY225006 [0,2,0,0,0,0|0,0,0]=2 290 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1O SY224985 [0,2,0,0,0,0|0,0,0]=2 291 B14R1.549 NC(=O)N[C@@H](CO)CC1=CC=CC=C1 SY278336 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.698 CC1=CC=C(CC(N)CC(=O)O)C=C1 SY224951 [0,2,0,0,0,0|0,0,0]=2 293 B14R1.698 NC(CC(=O)O)CC1=CC=C(Br)C=C1 SY224953 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 SY225004 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.698 NC(CC(=O)O)CC1=CC=C(F)C=C1 SY224946 [0,2,0,0,0,0|0,0,0]=2 296 B14R1.698 NC(CC(=O)O)CC1=CC=C(I)C=C1 SY224992 [0,2,0,0,0,0|0,0,0]=2 297 B14R1.698 NC(CC(=O)O)CC1=CC=C(O)C=C1 SY059876 [0,2,0,0,0,0|0,0,0]=2 298 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 SY241815 [0,2,0,0,0,0|1,0,1]=4 299 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 SY005594 [0,2,0,0,0,0|0,0,1]=3 300 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 SY031217 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 SY144060 [0,2,0,0,0,0|1,0,0]=3 302 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 SY005111 [0,2,0,0,0,0|1,0,0]=3 303 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 SY005135 [0,2,0,0,0,0|1,0,0]=3 304 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 SY005129 [0,2,0,0,0,0|1,0,0]=3 305 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 SY004394 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 SY008350 [0,2,0,0,0,0|1,0,0]=3 307 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 SY008365 [0,2,0,0,0,0|1,0,0]=3 308 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 SY008356 [0,2,0,0,0,0|1,0,0]=3 309 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 SY027115 [0,2,0,0,0,0|1,0,0]=3 310 B14R1.520 CCOC(=O)CCCC1=NC=CN=C1 SY280123 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 SY021323 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 SY021454 [0,2,0,0,0,0|1,0,0]=3 313 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 SY273320 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.255 O=C(O)CCCCN1C=CC=C1 SY100849 [0,0,1,1,0,0|1,0,1]=4 315 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [1,0,0,1,0,0|0,0,1]=3 316 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [1,0,0,1,0,0|1,0,1]=4 317 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [1,0,0,1,0,0|2,0,0]=4 318 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [1,0,0,1,0,0|1,0,1]=4 319 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 SY247998 [1,0,0,1,0,0|2,0,0]=4 320 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [1,0,0,1,0,0|2,0,0]=4 321 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [1,0,0,1,0,0|2,0,0]=4 322 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [1,0,0,1,0,0|2,0,0]=4 323 B12R2.41 C1=CC=C2CNCCCC2=C1 SY047638 [1,0,0,1,0,0|2,0,0]=4 324 B12R2.41 C1=CC=C2NCCCCC2=C1 SY012221 [1,0,0,1,0,0|1,0,1]=4 325 B12R2.41 C1=CC=C2OCCCOC2=C1 SY003809 [1,0,0,1,0,0|1,0,1]=4 326 B12R2.41 C1=CC=C2OCCNCC2=C1 SY104284 [1,0,0,1,0,0|1,0,1]=4 327 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [1,0,0,1,0,0|1,0,1]=4 328 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [1,0,0,1,0,0|1,0,1]=4 329 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [1,0,0,1,0,0|1,0,1]=4 330 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SY001538 [1,0,0,1,0,0|0,0,0]=2 331 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SY042025 [1,0,0,1,0,0|1,0,0]=3 332 B12R2.1081 O=C1CCCC2=C1C=CN=C2 SY037550 [1,0,0,1,0,0|1,0,0]=3 333 B12R2.1081 O=C1CCCC2=C1N=CC=C2 SY002036 [1,0,0,1,0,0|1,0,0]=3 334 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SY029732 [1,0,0,1,0,0|1,0,0]=3 335 B12R2.1081 O=C1CCOC2=C1C=CC=C2 SY003783 [1,0,0,1,0,0|1,0,0]=3 336 B12R2.1081 O=C1COCC2=C1C=CC=C2 SY030590 [1,0,0,1,0,0|1,0,0]=3 337 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SY021304 [1,0,0,1,0,0|1,0,0]=3 338 B12R2.1081 O=C1OCCC2=C1C=CC=C2 SY031574 [1,0,0,1,0,0|1,0,0]=3 339 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY004995 [1,0,0,1,0,0|1,0,1]=4 340 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY006174 [1,0,0,1,0,0|1,0,1]=4 341 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [1,0,0,1,0,0|0,0,1]=3 342 B12R2.1081 OC1CCOC2=C1C=CC=C2 SY027475 [1,0,0,1,0,0|1,0,1]=4 343 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [1,0,0,1,0,0|0,0,1]=3 344 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SY246293 [1,0,0,1,0,0|1,0,1]=4 345 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,0,0,1,1,0|1,0,0]=3 346 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [0,0,0,1,1,0|2,0,0]=4 347 B12R2.24 O=C1CCC2=CC=NC=C2N1 SY249512 [0,0,0,1,1,0|2,0,0]=4 348 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,0,0,1,1,0|2,0,0]=4 349 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [0,0,0,1,1,0|2,0,0]=4 350 B12R2.24 O=C1CNC2=CC=CC=C2O1 SY292600 [0,0,0,1,1,0|1,0,0]=3 351 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [0,0,0,1,1,0|2,0,0]=4 352 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [0,0,0,1,1,0|2,0,0]=4 353 B12R2.24 O=C1NC2=CC=CC=C2CO1 SY129148 [0,0,0,1,1,0|2,0,0]=4 354 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,1,0|1,0,1]=4 355 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,0,0,1,1,0|0,0,0]=2 356 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 SY017304 [0,0,0,1,0,1|2,0,0]=4 357 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 SY003464 [0,0,0,1,0,1|0,0,2]=4 358 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 SY045626 [0,0,0,1,0,1|0,0,2]=4 359 B14R2.2 O=C(O)CC1COC2=CC=CC=C21 SY058336 [0,0,0,1,0,1|0,0,0]=2 360 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 SY050497 [0,0,0,1,0,1|0,0,2]=4 361 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 SY078971 [0,0,0,1,0,1|1,0,1]=4 362 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 SY078986 [0,0,0,1,0,1|2,0,0]=4 363 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SY001207 [0,0,0,1,0,1|1,0,0]=3 364 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SY010607 [0,0,0,1,0,1|1,0,0]=3 365 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SY007401 [0,0,0,1,0,1|1,0,0]=3 366 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 SY001205 [0,0,0,1,0,1|1,0,1]=4 367 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 SY002286 [0,0,0,1,0,1|1,0,1]=4 368 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 SY035301 [0,0,0,1,0,1|1,0,0]=3 369 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 SY030001 [0,0,0,1,0,1|1,0,0]=3 370 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 SY207241 [0,0,0,1,0,1|1,0,0]=3 371 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 SY023884 [0,0,0,1,0,1|1,0,0]=3 372 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 SY048107 [0,0,0,1,0,1|1,0,1]=4 373 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 SY028858 [0,0,0,1,0,1|1,0,1]=4 374 B14R2.3018 C1=CC=C(COCC[C@@H]2CO2)C=C1 SY263579 [0,0,0,1,0,1|1,0,1]=4 375 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 SY021995 [0,0,0,1,0,1|0,0,0]=2 376 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 SY212090 [0,0,0,1,0,1|0,0,0]=2 377 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 SY018498 [0,0,0,1,0,1|0,0,0]=2 378 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 SY018413 [0,0,0,1,0,1|0,0,0]=2 379 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 SY107224 [0,0,0,1,0,1|0,0,0]=2 380 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 SY020682 [0,0,0,1,0,1|0,0,0]=2 381 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 SY002157 [0,0,0,1,0,1|0,0,0]=2 382 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SY046517 [0,1,0,1,0,0|1,0,0]=3 383 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 SY016563 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 SY034706 [0,1,0,1,0,0|1,0,0]=3 385 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 SY046901 [0,1,0,1,0,0|1,0,1]=4 386 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 SY099661 [0,1,0,1,0,0|0,0,0]=2 387 B14R2.300 O=C(O)C1NCC2=C1C=CC(Br)=C2 SY280120 [0,1,0,1,0,0|1,0,0]=3 388 B14R2.4476 CC1=CC([C@@H]2C[C@H]2C(=O)O)=CC=C1 SY205570 [0,1,0,1,0,0|0,0,0]=2 389 B14R2.4476 CC1=CC([C@@H]2C[C@H]2C(=O)O)=CC=C1 SY266504 [0,1,0,1,0,0|0,0,0]=2 390 B14R2.4476 CC1=CC([C@H]2C[C@@H]2C(=O)O)=CC=C1 SY266503 [0,1,0,1,0,0|0,0,0]=2 391 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 SY036722 [0,1,0,1,0,0|0,0,0]=2 392 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 SY036323 [0,1,0,1,0,0|0,0,0]=2 393 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Br)=C2 SY208649 [0,1,0,1,0,0|0,0,0]=2 394 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Br)=C2 SY266205 [0,1,0,1,0,0|0,0,0]=2 395 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY252807 [0,1,0,1,0,0|0,0,0]=2 396 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY266224 [0,1,0,1,0,0|0,0,0]=2 397 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 SY164383 [0,1,0,1,0,0|0,0,0]=2 398 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 SY235873 [0,1,0,1,0,0|0,0,0]=2 399 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 SY266204 [0,1,0,1,0,0|0,0,0]=2 400 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 SY266223 [0,1,0,1,0,0|0,0,0]=2 401 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 SY266325 [0,1,0,1,0,0|0,0,0]=2 402 B14R2.8053 O=C(O)[C@@H]1CCC2=NC=CC(=O)N21 SY247950 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SY045236 [0,1,0,1,0,0|0,0,2]=4 404 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 SY045645 [0,1,0,1,0,0|0,0,2]=4 405 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 SY122811 [0,1,0,1,0,0|1,0,1]=4 406 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SY106504 [0,1,0,1,0,0|0,0,0]=2 407 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 SY039779 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 SY046895 [0,1,0,1,0,0|0,0,0]=2 409 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 SY064639 [0,1,0,1,0,0|0,0,0]=2 410 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 SY225578 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SY003328 [0,1,0,1,0,0|1,0,0]=3 412 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 SY017250 [0,1,0,1,0,0|1,0,0]=3 413 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 SY017614 [0,1,0,1,0,0|1,0,0]=3 414 B14R2.5443 CC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O SY212590 [0,1,0,1,0,0|0,0,0]=2 415 B14R2.5443 CC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O SY266344 [0,1,0,1,0,0|0,0,0]=2 416 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O SY266343 [0,1,0,1,0,0|0,0,0]=2 417 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Br SY035831 [0,1,0,1,0,0|0,0,0]=2 418 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl SY033802 [0,1,0,1,0,0|0,0,0]=2 419 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F SY021956 [0,1,0,1,0,0|0,0,0]=2 420 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Br SY266370 [0,1,0,1,0,0|0,0,0]=2 421 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266495 [0,1,0,1,0,0|0,0,0]=2 422 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266496 [0,1,0,1,0,0|0,0,0]=2 423 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266352 [0,1,0,1,0,0|0,0,0]=2 424 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266353 [0,1,0,1,0,0|0,0,0]=2 425 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Br SY266369 [0,1,0,1,0,0|0,0,0]=2 426 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Cl SY266494 [0,1,0,1,0,0|0,0,0]=2 427 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2F SY266351 [0,1,0,1,0,0|0,0,0]=2 428 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N SY058228 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O SY103519 [0,1,0,1,0,0|2,0,0]=4 430 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 SY012059 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 SY012058 [0,1,0,1,0,0|1,0,0]=3 432 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br SY020870 [0,1,0,1,0,0|1,0,0]=3 433 B14R2.9535 NC1(C(=O)O)CCC2=C1C=CC=C2 SY039062 [0,1,0,1,0,0|0,0,0]=2 434 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 SY111565 [0,1,0,1,0,0|1,0,0]=3 435 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 SY080401 [0,1,0,1,0,0|0,0,0]=2 436 B14R2.4402 CC1=CC=C([C@@H]2C[C@H]2C(=O)O)C=C1 SY266122 [0,1,0,1,0,0|0,0,0]=2 437 B14R2.4402 CC1=CC=C([C@@H]2C[C@H]2C(=O)O)C=C1 SY266123 [0,1,0,1,0,0|0,0,0]=2 438 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 SY266121 [0,1,0,1,0,0|0,0,0]=2 439 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 SY036324 [0,1,0,1,0,0|0,0,0]=2 440 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SY036707 [0,1,0,1,0,0|0,0,0]=2 441 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 SY020770 [0,1,0,1,0,0|0,0,0]=2 442 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 SY266099 [0,1,0,1,0,0|0,0,0]=2 443 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY205590 [0,1,0,1,0,0|0,0,0]=2 444 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY266088 [0,1,0,1,0,0|0,0,0]=2 445 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY167556 [0,1,0,1,0,0|0,0,0]=2 446 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY266080 [0,1,0,1,0,0|0,0,0]=2 447 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 SY096714 [0,1,0,1,0,0|0,0,0]=2 448 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 SY266087 [0,1,0,1,0,0|0,0,0]=2 449 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY266079 [0,1,0,1,0,0|0,0,0]=2 450 B14R2.958 COC(=O)C1N=C1C2=CC=CC=C2 SY037180 [0,1,0,1,0,0|1,0,1]=4 451 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 SY037179 [0,1,0,1,0,0|1,0,0]=3 452 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 SY037171 [0,1,0,1,0,0|1,0,0]=3 453 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY266108 [0,1,0,1,0,0|0,0,0]=2 454 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY266109 [0,1,0,1,0,0|0,0,0]=2 455 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY266107 [0,1,0,1,0,0|0,0,0]=2 456 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [0,0,0,0,2,0|2,0,0]=4 458 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [0,0,0,0,2,0|2,0,0]=4 459 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [0,0,0,0,2,0|1,0,1]=4 460 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [0,0,0,0,2,0|1,0,0]=3 461 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [0,0,0,0,2,0|2,0,0]=4 462 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [0,0,0,0,2,0|1,0,0]=3 463 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [0,0,0,0,2,0|1,0,0]=3 464 B10R1.18 O=C(O)CC1=CN=CN=C1 SY020567 [0,0,0,0,2,0|2,0,0]=4 465 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [0,0,0,0,2,0|1,0,0]=3 466 B10R1.18 O=C(O)CC1=NC=CC=N1 SY004102 [0,0,0,0,2,0|2,0,0]=4 467 B10R1.18 O=C(O)CC1=NC=CN=C1 SY034525 [0,0,0,0,2,0|2,0,0]=4 468 B10R1.66 O=C(O)CCC1=CC=CS1 SY005413 [0,0,0,0,2,0|1,0,0]=3 469 B10R1.66 O=C(O)CCC1=CSC=C1 SY122984 [0,0,0,0,2,0|1,0,0]=3 470 B10R1.66 O=C(O)CCC1=NC=CS1 SY019802 [0,0,0,0,2,0|2,0,0]=4 471 B10R1.66 O=C(O)CCN1C=CC=C1 SY010374 [0,0,0,0,2,0|1,0,0]=3 472 B10R1.66 O=C(O)CCN1C=CC=N1 SY014172 [0,0,0,0,2,0|2,0,0]=4 473 B10R1.66 O=C(O)CCN1C=CN=C1 SY024292 [0,0,0,0,2,0|2,0,0]=4 474 B14R1.422 CC(=O)OCCCCC1=NC=CC=C1 SY271773 [0,0,0,0,0,2|2,0,0]=4 475 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 SY029101 [0,0,0,0,0,2|0,0,0]=2 476 B14R1.422 O=[N+]([O-])CCCCOC1=CC=CC=C1 SY266530 [0,0,0,0,0,2|1,0,1]=4 477 B14R1.422 O=[N+]([O-])CCCOCC1=CC=CC=C1 SY266538 [0,0,0,0,0,2|1,0,1]=4