0 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1Cl SY129445 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 SY272145 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 SY016204 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 SY004280 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 SY004279 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SY011505 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 SY041590 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 SY008361 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl SY008355 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SY008013 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.674 O=C(OCCO)C1=CC=CC=C1O SY032913 [1,0,0,0,0,0|1,0,1]=3 11 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1Cl SY266783 [0,1,0,0,0,0|3,0,0]=4 12 B15R1.8420 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1Cl SY059075 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 SY015400 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.6 O=C(O)CCC1=CNC2=NC=CC=C12 SY111196 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O SY062768 [0,0,0,1,0,0|2,0,0]=3 16 B15R2.14951 CC(=O)N1CC(=O)C2=C(C=CC=C2)C1 SY250101 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 SY005480 [0,0,0,1,0,0|0,0,2]=3 18 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 SY029385 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 SY045104 [0,0,0,1,0,0|2,0,1]=4 20 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 SY005079 [0,0,0,1,0,0|2,0,1]=4 21 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O SY026387 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SY014543 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SY013718 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [2,0,0,0,0,0|0,0,1]=3 25 B12R1.252 O=C(O)CCCC1=NC=CC=C1 SY110052 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 SY083558 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [2,0,0,0,0,0|0,0,2]=4 32 B12R1.308 N#CCC(=O)C1=CC=CC=C1O SY257790 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.308 O=C(CCCl)C1=CC=CC=C1F SY096664 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.308 O=C(CCCl)C1=CC=CC=C1O SY046373 [2,0,0,0,0,0|1,0,0]=3 35 B14R1.149 CC(=O)OCC(=O)C1=CC=CC(Cl)=C1 SY286082 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(F)=C1 SY143661 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SY009084 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O SY033280 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O SY122663 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1 SY263008 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SY032321 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 SY006987 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 SY008025 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 SY240171 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.96 COC1=CC=CC=C1OCCC(=O)O SY008352 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O SY008358 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O SY225010 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Br SY225023 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Cl SY224975 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1F SY225006 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1O SY224985 [1,1,0,0,0,0|0,0,1]=3 52 B14R1.6048 NC(CC(=O)O)C1=CC=C(O)C=C1O SY026951 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 SY046901 [1,0,0,1,0,0|1,0,0]=3 54 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 SY099661 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 SY110099 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SY045236 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 SY045645 [1,0,0,1,0,0|0,0,1]=3 58 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SY106504 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 SY046895 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 SY064639 [1,0,0,1,0,0|0,0,1]=3 61 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 SY225578 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SY003328 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.5443 CC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O SY212590 [1,0,0,1,0,0|1,0,1]=4 64 B14R2.5443 CC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O SY266344 [1,0,0,1,0,0|1,0,1]=4 65 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O SY266343 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Br SY035831 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl SY033802 [1,0,0,1,0,0|1,0,1]=4 68 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F SY021956 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Br SY266370 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266495 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266496 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266352 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266353 [1,0,0,1,0,0|1,0,1]=4 74 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Br SY266369 [1,0,0,1,0,0|1,0,1]=4 75 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Cl SY266494 [1,0,0,1,0,0|1,0,1]=4 76 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2F SY266351 [1,0,0,1,0,0|1,0,1]=4 77 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 SY003464 [0,0,0,1,1,0|2,0,0]=4 78 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 SY045626 [0,0,0,1,1,0|1,0,0]=3 79 B14R2.2 O=C(O)CC1COC2=CC=CC=C21 SY058336 [0,0,0,1,1,0|1,0,1]=4 80 B16R2.477 O=C(O)CCC1=CC=C2C=CC=CC2=C1 SY022237 [0,0,0,1,0,1|2,0,0]=4 81 B16R2.22833 CC1=CC=CC2=C1NC=C2CCC(=O)O SY193559 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.22833 O=C(O)CCC1=CNC2=C1C=CC=C2Br SY250650 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.22833 O=C(O)CCC1=CNC2=C1C=CC=C2F SY250560 [0,1,0,1,0,0|2,0,0]=4 84 B16R2.12 CC(CC1=CNC2=C1C=CC=C2)C(=O)O SY014277 [0,1,0,1,0,0|2,0,0]=4 85 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O SY012692 [0,1,0,1,0,0|2,0,0]=4 86 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O SY103112 [0,1,0,1,0,0|1,1,0]=4 87 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O SY011477 [0,1,0,1,0,0|2,0,0]=4 88 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 SY139430 [0,1,0,1,0,0|2,0,0]=4 89 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 SY248636 [0,1,0,1,0,0|0,0,2]=4 90 B16R2.2976 CC1=CC2=C(C=C1)C(CCC(=O)O)=CN2 SY195973 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(Br)=C2 SY250572 [0,1,0,1,0,0|2,0,0]=4 92 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(Cl)=C2 SY250550 [0,1,0,1,0,0|2,0,0]=4 93 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(F)=C2 SY250538 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(Br)C=C2)O1 SY251233 [0,1,0,1,0,0|0,0,2]=4 95 B16R2.22904 CC1=CC=CC2=C1C(CCC(=O)O)=CN2 SY193307 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.22904 O=C(O)CCC1=CNC2=C1C(Br)=CC=C2 SY250634 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.22904 O=C(O)CCC1=CNC2=C1C(Cl)=CC=C2 SY250619 [0,1,0,1,0,0|2,0,0]=4 98 B16R2.22904 O=C(O)CCC1=CNC2=C1C(F)=CC=C2 SY250646 [0,1,0,1,0,0|2,0,0]=4 99 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O SY196118 [0,1,0,1,0,0|2,0,0]=4 100 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(Br)C=C2 SY238805 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(Cl)C=C2 SY250539 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(F)C=C2 SY250537 [0,1,0,1,0,0|2,0,0]=4 103 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(I)C=C2 SY250716 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 SY005887 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.107 CC(O)=CC(=O)C1=CC=CC=C1 SY266279 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SY045029 [1,0,0,0,1,0|0,0,0]=2 113 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [1,0,0,0,1,0|0,0,2]=4 114 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [1,0,0,0,1,0|1,0,1]=4 115 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [1,0,0,0,1,0|1,0,0]=3 116 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [1,0,0,0,1,0|0,0,0]=2 121 B12R1.125 O=C(O)CCC1=NC=CC=C1Br SY244454 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.125 O=C(O)COC1=CC=CC=C1F SY008332 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SY009527 [1,0,0,0,1,0|1,0,1]=4 124 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SY003739 [1,0,0,0,1,0|1,0,1]=4 125 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O SY048367 [1,0,0,0,1,0|0,0,1]=3 126 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SY023883 [1,0,0,0,0,1|0,0,0]=2 127 B14R1.420 O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 SY122745 [1,0,0,0,0,1|1,0,1]=4