0 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.2 CCC(CC(=O)O)N AB01525 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|0,0,0]=1 3 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|0,0,0]=1 4 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,0,0,1,0,0|0,0,0]=1 15 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,0,0,1,0,0|0,0,0]=1 16 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,0,0,1,0,0|0,0,0]=1 20 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,0,0,1,0,0|0,0,0]=1 21 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,0,0,1,0,0|0,0,0]=1 22 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,0,0,0,0,1|2,0,1]=4 23 B6R0.1 COCC(CO)N AB24949 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 B(CC(C)C)(O)O AB03722 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 CC(C)CC(=N)N AB60903 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(C)CC(=S)N AB52630 [2,0,0,0,0,0|1,1,0]=4 27 B6R0.4 C#CCCC(=O)O CB10019 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.3 B(C(C)CC)(O)O AB25482 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 CC(CN)C(=O)O AB00933 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 CCC(C(=O)O)N AB00928 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.3 C[C@H](CN)C(=O)O AB08204 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.12 COCC(C(=O)O)(F)F PB38464 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.12 C[C@@](CC=C)(C(=O)O)N AB04108 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.12 C[C@](CC=C)(C(=O)O)N AB03939 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10017 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10827 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [1,1,0,0,0,0|0,0,0]=2 48 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [1,1,0,0,0,0|0,0,0]=2 49 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [1,1,0,0,0,0|0,0,0]=2 51 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [1,1,0,0,0,0|0,0,0]=2 52 B10R0.144 CCC(CC)C(CC(=O)O)N AB10352 [0,1,0,0,0,1|0,0,0]=2 53 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.31 C1CN(C1C(=O)O)N MB69364 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|0,0,0]=2 84 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.23 C1C(CC1F)C(=O)O PB20399 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.23 C1C(CC1O)C(=O)O PB26416 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.23 CC1CC(C1)C(=O)O PB21154 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.23 CN1CC(C1)C(=O)O PB25405 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.54 C1CC1C(C(=O)O)N CB11349 [1,0,0,1,0,0|0,0,0]=2 102 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [1,0,0,1,0,0|0,0,0]=2 107 B8R1.78 CC1(CCC1)C(=O)O PB11149 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.78 CC1(COC1)C(=O)O PB28060 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.77 CC1(CC1C(=O)O)C AB21127 [1,0,0,1,0,0|1,0,0]=3 110 B10R1.266 C1CC(C1)C(CC(=O)O)N AB24717 [0,0,0,1,0,1|0,0,0]=2 111 B10R1.266 C1CC(C1)[C@@H](CC(=O)O)N AB36099 [0,0,0,1,0,1|0,0,0]=2 112 B10R1.266 C1CC(C1)[C@H](CC(=O)O)N AB36096 [0,0,0,1,0,1|0,0,0]=2 113 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,0,0,1,0,1|1,0,0]=3 114 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,0,0,1,0,1|2,0,0]=4 115 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,0,0,1,0,1|1,0,0]=3 116 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,0,0,1,0,1|2,0,0]=4 117 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,0,0,1,0,1|0,0,0]=2 118 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,0,0,1,0,1|0,0,0]=2 119 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,1,0,0|0,0,0]=2 120 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,1,0,0|0,0,0]=2 121 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,1,0,0|0,0,0]=2 122 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.61 C1CNC(=O)C(N1)C(=O)O AB32176 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB10477 [0,1,0,1,0,0|1,0,0]=3 129 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB11090 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O PB37982 [0,1,0,1,0,0|1,0,0]=3 131 B10R1.182 COC(=O)C(C1COC1)N PB11945 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.83 CC1(C(CC1N)C(=O)O)C PB35717 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.83 CC1([C@@H](C[C@@H]1N)C(=O)O)C PB36525 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.83 CC1([C@H](C[C@@H]1N)C(=O)O)C PB39190 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB22660 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB49830 [0,1,0,1,0,0|1,0,0]=3 137 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,2,0,0|1,0,0]=3 138 B10R2.344 C1C2C1(CNC2)C(=O)O PB25715 [0,0,0,2,0,0|2,0,0]=4 139 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,2,0,0|0,0,0]=2