0 B9R0.47 CCCCC[C@H](N)C(O)=O AC512037 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.47 NCCCC[C@@H](N)C(O)=O AC180292 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.47 NCCOC[C@H](N)C(O)=O HY-U00097 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.47 N[C@@H](CSCC#C)C(O)=O AC160392 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 CCCCCCB(O)O AC090081 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.7 NCCCCCC(O)=O AC510865 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.7 NCCCCCC(O)=O HY-B0236 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.7 OC(=O)CCCCCBr AC510767 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.75 N[C@@H](CSCCCO)C(O)=O HY-B0393 [0,1,0,0,0,0|2,0,0]=3 12 B10R0.82 COC(=O)CC[C@H](N)C(O)=O AC511522 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.23 NC(C1CCNC1)C(O)=O AC050281 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.204 NC(CC1CCC1)C(O)=O AC050153 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.204 N[C@@H](CC1CCC1)C(O)=O AC050268 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.204 N[C@@H](CC1CCC1)C(O)=O AC050401 [0,0,0,1,0,0|1,0,0]=2 17 B10R1.363 CC1(CCOCC1)C(O)=O AC182684 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.363 C[C@@]1(CCCCN1)C(O)=O AC020355 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.363 C[C@]1(CCCCN1)C(O)=O AC020354 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.363 NC1(CCNCC1)C(O)=O AC051172 [0,0,0,1,0,0|2,0,0]=3 21 B7R0.1 NCCCCCCO AC511691 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.4 CC(O)CNCCO AC021070 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.4 CCCCCC(C)N HY-B0952 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.4 COCCCC(O)=O AC100091 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.5 COC[C@H](N)C(O)=O AC511991 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.5 NC(CCO)C(O)=O AC511583 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 NCCC(N)C(O)=O AC511576 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.2 CC(=O)NCCCCCN HY-101403 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.2 NCCCCCCC(O)=O AC180226 [1,1,0,0,0,0|0,0,0]=2 35 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O HY-U00250 [0,1,0,0,0,1|1,0,0]=3 37 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.5 CC1CCNCCC1=O LN00001918 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.5 CC1CCNCCC1O LN00001096 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.5 NC1CCCCNC1=O AC021266 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.5 NC1CCCCNC1=O AC180582 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.118 CC1(CO)CCNCC1 AC182548 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.132 CN1CCC(CO)C1=O AC512125 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.6 C1CNC(CN1)C(=O)O LN00009512 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.6 CC(=O)C1CCCCC1 AC510963 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.6 CC(=O)C1CCOCC1 AC220050 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.6 ClC(=O)C1CCOCC1 AC220193 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.6 ClC(=O)N1CCCCC1 AC100058 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.6 NC(=O)C1CCCNC1 AC180121 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.6 NC(=O)C1CCNCC1 AC511687 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.6 NC(=O)C1CCOCC1 AC220035 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.6 OB(O)C1CCCCC1 AC510772 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.6 OC(=O)C1CCCCC1 AC190179 [1,0,0,1,0,0|0,0,0]=2 58 B9R1.6 OC(=O)C1CCCCN1 AC130051 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.6 OC(=O)C1CCCCN1 AC510756 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.6 OC(=O)C1CCCCO1 AC170058 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.6 OC(=O)C1CCCOC1 AC170092 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.6 OC(=O)C1CCNCC1 AC180124 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.6 OC(=O)C1CCOCC1 AC180391 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.6 OC(=O)C1CNCCN1 AC180739 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 OC(=O)C1COCCN1 AC170096 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.6 OC(=O)[C@@H]1CCC=CC1 AC310100 [1,0,0,1,0,0|0,0,2]=4 67 B9R1.6 OC(=O)[C@@H]1CNCCN1 AC020777 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.6 OC(=O)[C@@H]1COCCN1 AC181656 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.6 OC(=O)[C@H]1CCC=CC1 AC310113 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.6 OC(=O)[C@H]1CNCCN1 AC181744 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.13 CC(=O)NC1CCCC1 AC050483 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.13 OC(=O)CC1CCCC1 AC500174 [1,0,0,1,0,0|0,0,0]=2 77 B9R1.13 OC(=O)CN1CCCC1 AC190107 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.13 OC(=O)CN1CCCC1 AC512039 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.84 OC(=O)CCN1CCC1 AC051164 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.35 CN1CCC(C1)C(O)=O AC182036 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.35 OC(=O)C1CCC(=O)C1 AC160621 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.35 O[C@@H]1CN[C@H](C1)C(O)=O AC182277 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O AC020366 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.110 NC(C1CCC1)C(O)=O AC050494 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.110 N[C@H](C1CCC1)C(O)=O AC050744 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.163 C1CCC(C1)(C(=O)O)O LN00159103 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.163 C1COCC1(C(=O)O)N LN00170684 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.163 C[C@@]1(CCCN1)C(=O)O LN00231771 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.163 C[C@@]1(CCCN1)C(O)=O AC021002 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.163 C[C@]1(CCCN1)C(O)=O AC020387 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.163 C[C@]1(CCCN1)C(O)=O AC021246 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.163 NC1(CCCC1)C(O)=O AC511825 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.163 NC1(CCNC1)C(O)=O AC021073 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.36 NC(C1CCOCC1)C(O)=O AC050960 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.36 N[C@@H](C1CCCCC1)C(O)=O AC021651 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.36 N[C@@H](C1CCOCC1)C(O)=O AC050556 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.36 N[C@H](C1CCCCC1)C(O)=O AC181202 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.36 N[C@H](C1CCOCC1)C(O)=O AC050761 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(O)=O HY-B0149 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.3 OC[C@H]1CC[C@@H](CC1)C(O)=O AC130363 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 AC050340 [0,1,0,1,0,0|1,0,0]=3 105 B11R1.31 COC(=O)[C@H](N)C1CCCC1 AC050481 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.878 COC(=O)C1(N)CCCCC1 AC100022 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.878 COC(=O)C1(O)CCNCC1 AC050647 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.878 COC(=O)C1(O)CCOCC1 AC050250 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.175 OC(=O)C1CCC(C1)C(O)=O AC181312 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.730 OC(=O)C1CNCC(F)(F)C1 AC160145 [0,1,0,1,0,0|2,0,0]=4 111 B11R2.845 OC(=O)C1CC2CCC1C2 AC020797 [0,0,0,2,0,0|0,0,0]=2