0 B9R1.35 CN1CCC(C1)C(O)=O AC182036 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 OC(=O)C1CCC(=O)C1 AC160621 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.35 OC(=O)C1CCC(=O)N1 AC511521 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 AC190184 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 AC180591 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O[C@@H]1CN[C@H](C1)C(O)=O AC182277 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O AC020366 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.7 CC(=O)C1CCCC1 AC512080 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 CC(=O)C1CCOC1 AC220028 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.7 NC(=O)[C@@H]1CCCN1 AC180093 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 OB(O)C1CCCC1 AC090189 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 OC(=O)C1=CCCC1 AC120012 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 OC(=O)C1CC=CC1 AC180693 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.7 OC(=O)C1CCCC1 AC180019 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 OC(=O)C1CCCC1 AC500306 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.7 OC(=O)C1CCCO1 AC511285 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 OC(=O)C1CCCS1 AC040081 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.7 OC(=O)C1CCOC1 AC190250 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 OC(=O)C1CSSC1 AC020754 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 OC(=O)C1CSSC1 HY-50730 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 AC021018 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.14 COC(=O)[C@H]1C[C@@H](N)C=C1 AC021488 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 AC020367 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.359 OC(=O)C1CCC(F)(F)C1 AC160159 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.9 NC(CCC(O)=O)C=C HY-15399 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.9 NC(CCC(O)=O)C=C HY-B0033 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.9 NCC(=O)CCC(O)=O AC050222 [0,0,1,0,0,0|0,0,2]=3 31 B8R0.9 NCC(=O)CCC(O)=O AC510831 [0,0,1,0,0,0|0,0,2]=3 32 B8R0.9 NCC(=O)CCC(O)=O HY-N0305 [0,0,1,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)C[C@@H](N)C(O)=O AC180566 [0,0,1,0,0,0|1,0,0]=2 34 B8R0.23 C[C@@H](CC(=O)O)C(=O)O LN01743142 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.23 O[C@H](CC(O)=O)C(O)=O AC180071 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.28 CN(C)CCCC(O)=O AC130623 [0,0,1,0,0,0|3,0,0]=4 38 B8R1.23 CN1CC(C1)C(O)=O AC190103 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.23 OC(=O)C1CC(=C)C1 AC021200 [0,0,0,0,1,0|1,0,1]=3 40 B8R1.23 OC(=O)C1CC(=O)C1 AC130079 [0,0,0,0,1,0|0,0,2]=3 41 B10R1.13 CN1CCC(CC1)C(O)=O AC182011 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 CN1CCC(CC1)C(O)=O AC190237 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 OC(=O)C1CCC(=O)CC1 AC511132 [0,0,0,0,0,1|1,0,2]=4 44 B10R1.13 OC(=O)C1CCC(=O)CN1 AC160004 [0,0,0,0,0,1|0,0,2]=3 45 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [0,0,0,0,0,1|1,0,0]=2 46 B7R0.4 CC(O)CNCCO AC021070 [1,0,1,0,0,0|0,0,1]=3 47 B7R0.4 COCCCC(O)=O AC100091 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,0,1,0,0,0|0,0,0]=2 49 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [1,0,1,0,0,0|1,0,0]=3 50 B7R0.5 COC[C@H](N)C(O)=O AC511991 [1,0,1,0,0,0|1,0,0]=3 51 B7R0.5 NC(CCO)C(O)=O AC511583 [1,0,1,0,0,0|0,0,0]=2 52 B7R0.5 NCCC(N)C(O)=O AC511576 [1,0,1,0,0,0|1,0,0]=3 53 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [1,0,1,0,0,0|1,0,0]=3 54 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [1,0,1,0,0,0|0,0,2]=4 56 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [1,0,1,0,0,0|0,0,0]=2 57 B7R0.6 CN(C)CCC(O)=O AC511515 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.15 CCC(CC)C(O)=O AC190325 [1,0,1,0,0,0|1,0,0]=3 59 B7R1.1 C1CC(CO)NC1 LN00004769 [2,0,0,0,0,0|0,0,1]=3 60 B7R1.1 C1CCC(C1)C=O LN00189003 [2,0,0,0,0,0|1,0,0]=3 61 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [2,0,0,0,0,0|0,0,1]=3 62 B7R1.1 N#C[C@@H]1CCCN1 AC181493 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 O=CC1CCCC1 AC020554 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.1 O=CC1CCOC1 AC220027 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 OCC1CCCC1 AC180018 [2,0,0,0,0,0|1,0,1]=4 66 B7R1.1 OCC1CCCN1 AC510796 [2,0,0,0,0,0|0,0,1]=3 67 B7R1.1 OCC1CCCO1 AC190177 [2,0,0,0,0,0|1,0,1]=4 68 B7R1.1 OC[C@@H]1CCCN1 AC180094 [2,0,0,0,0,0|0,0,1]=3 69 B7R1.1 OC[C@H]1CCCN1 AC190243 [2,0,0,0,0,0|0,0,1]=3 70 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [2,0,0,0,0,0|0,0,1]=3 72 B9R0.15 CCCC(CCC)C(O)=O HY-10585 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.39 CN[C@H](CC(O)=O)C(O)=O HY-17551 [0,1,1,0,0,0|0,0,1]=3 74 B9R0.74 CCCC(C)(CC)C(O)=O AC050574 [0,1,1,0,0,0|2,0,0]=4 75 B9R0.57 CC(C)(F)C[C@H](N)C(O)=O AC050676 [0,1,1,0,0,0|1,0,0]=3 76 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01366893 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01805687 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.53 CC(C)C[C@H](CC(=O)O)N LN01375698 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.53 CN(CC(O)=O)CC(O)=O AC511698 [0,1,1,0,0,0|1,0,1]=4 80 B9R1.11 COC(=O)C1=CCCC1 AC180978 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.11 COC(=O)C1CCCN1 AC511091 [1,1,0,0,0,0|0,0,0]=2 82 B9R1.11 COC(=O)C1CCNC1 AC170011 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.11 COC(=O)C1CCOC1 AC220026 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.11 COC(=O)[C@@H]1CCNC1 AC020253 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.11 COC(=O)[C@H]1CCCN1 AC021038 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [1,1,0,0,0,0|0,0,0]=2 88 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [1,1,0,0,0,0|0,0,0]=2 89 B9R1.163 C1CCC(C1)(C(=O)O)O LN00159103 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.163 C1COCC1(C(=O)O)N LN00170684 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.163 C[C@@]1(CCCN1)C(=O)O LN00231771 [1,1,0,0,0,0|0,0,0]=2 92 B9R1.163 C[C@@]1(CCCN1)C(O)=O AC021002 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.163 C[C@]1(CCCN1)C(O)=O AC020387 [1,1,0,0,0,0|0,0,0]=2 94 B9R1.163 C[C@]1(CCCN1)C(O)=O AC021246 [1,1,0,0,0,0|0,0,0]=2 95 B9R1.163 NC1(CCCC1)C(O)=O AC511825 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.163 NC1(CCNC1)C(O)=O AC021073 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.82 COC(=O)C1CC(=O)C1 AC510932 [0,1,0,0,1,0|0,0,2]=4 98 B9R1.82 COC(=O)C1CC(N)C1 AC182761 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.164 OC(=O)C1CC(F)(F)C1 AC160031 [0,1,0,0,1,0|1,0,0]=3 100 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(O)=O HY-B0149 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.3 OC[C@H]1CC[C@@H](CC1)C(O)=O AC130363 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.22 COC(=O)C1CCC(O)CC1 AC181094 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 AC021335 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 AC021334 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.727 OC(=O)C1CCC(F)(F)CC1 AC160113 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.730 OC(=O)C1CNCC(F)(F)C1 AC160145 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.175 OC(=O)C1CCC(C1)C(O)=O AC181312 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.175 OC(=O)[C@@H]1CN[C@@H](C1)C(O)=O AC021060 [0,2,0,0,0,0|0,0,0]=2 109 B9R1.6 C1CNC(CN1)C(=O)O LN00009512 [0,0,1,1,0,0|1,0,0]=3 110 B9R1.6 OC(=O)C1CCCCC1 AC190179 [0,0,1,1,0,0|2,0,0]=4 111 B9R1.6 OC(=O)C1CCCCN1 AC130051 [0,0,1,1,0,0|1,0,0]=3 112 B9R1.6 OC(=O)C1CCCCN1 AC510756 [0,0,1,1,0,0|1,0,0]=3 113 B9R1.6 OC(=O)C1CCCCO1 AC170058 [0,0,1,1,0,0|2,0,0]=4 114 B9R1.6 OC(=O)C1CCCOC1 AC170092 [0,0,1,1,0,0|1,0,0]=3 115 B9R1.6 OC(=O)C1CNCCN1 AC180739 [0,0,1,1,0,0|1,0,0]=3 116 B9R1.6 OC(=O)C1COCCN1 AC170096 [0,0,1,1,0,0|0,0,0]=2 117 B9R1.6 OC(=O)[C@@H]1CNCCN1 AC020777 [0,0,1,1,0,0|1,0,0]=3 118 B9R1.6 OC(=O)[C@@H]1COCCN1 AC181656 [0,0,1,1,0,0|0,0,0]=2 119 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [0,0,1,1,0,0|1,0,0]=3 120 B9R1.6 OC(=O)[C@H]1CNCCN1 AC181744 [0,0,1,1,0,0|1,0,0]=3 121 B11R2.845 OC(=O)C1CC2CCC1C2 AC020797 [0,0,0,1,0,1|2,0,0]=4 122 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [0,0,1,0,1,0|2,0,0]=4 123 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,0,1,0,1,0|0,0,0]=2 124 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,0,1,0,1,0|0,0,0]=2 125 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,0,1,0,1,0|0,0,0]=2 126 B7R1.18 NC(=O)C1CCC1 AC180388 [1,0,0,0,1,0|1,0,0]=3 127 B7R1.18 NC(=O)C1CNC1 AC070069 [1,0,0,0,1,0|2,0,0]=4 128 B7R1.18 OB(O)C1CCC1 AC130289 [1,0,0,0,1,0|1,0,1]=4 129 B7R1.18 OC(=O)C1CCC1 AC131374 [1,0,0,0,1,0|0,0,0]=2 130 B7R1.18 OC(=O)C1CCN1 AC180596 [1,0,0,0,1,0|0,0,0]=2 131 B7R1.18 OC(=O)C1COC1 AC511276 [1,0,0,0,1,0|1,0,0]=3 132 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,0,0,0,2,0|1,0,0]=3 133 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,0,0,0,2,0|1,0,0]=3 134 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,0,0,0,2,0|1,0,0]=3 135 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,0,0,0,2,0|1,0,0]=3 136 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [1,0,0,0,0,1|0,0,0]=2 137 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [1,0,0,0,0,1|0,0,0]=2 138 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [1,0,0,0,0,1|0,0,0]=2 139 B9R1.13 CC(=O)NC1CCCC1 AC050483 [1,0,0,0,0,1|2,0,0]=4 140 B9R1.13 OC(=O)CC1CCCC1 AC500174 [1,0,0,0,0,1|1,0,0]=3 141 B9R1.13 OC(=O)CN1CCCC1 AC190107 [1,0,0,0,0,1|2,0,0]=4 142 B9R1.13 OC(=O)CN1CCCC1 AC512039 [1,0,0,0,0,1|2,0,0]=4 143 B11R1.20 C1C[C@@H](CC[C@H]1CC(=O)O)N LN02009912 [0,0,0,0,0,2|2,0,0]=4