0 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 NC(=O)C1CCCN1 CP26216 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 NC(=O)[C@@H]1C=CCN1 CP27325 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 O=C(O)C1C=CCN1 CP27023 [1,0,0,0,0,0|0,0,2]=3 15 B8R1.7 O=C(O)C1CCCN1 CP01703 [1,0,0,0,0,0|0,0,0]=1 16 B8R1.7 O=C(O)C1CSCN1 10-101-123 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.7 O=C(O)C1CSCN1 CP25782 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.7 O=C(O)[C@@H]1C=CCN1 CP25837 [1,0,0,0,0,0|0,0,2]=3 19 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [1,0,0,0,0,0|0,0,0]=1 20 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [1,0,0,0,0,0|0,0,0]=1 21 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CP25829 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CP27085 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O CP27352 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 CP27717 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.8 CCCCC(N)C(=O)O CP08503 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.9 NCC(=O)NCC(=O)O CPC1660 [0,0,1,0,0,0|1,0,2]=4 32 B8R0.15 CCC[C@H](NC)C(=O)O CP26600 [0,0,1,0,0,0|1,0,0]=2 33 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.23 CC(C)CC(N)C(N)=O CP26156 [0,0,1,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [0,0,1,0,0,0|1,0,0]=2 37 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26058 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26436 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [0,0,1,0,0,0|1,0,0]=2 41 B8R0.23 CC(C)C[C@H](N)C(N)=O CP01322 [0,0,1,0,0,0|2,0,0]=3 42 B8R0.23 CC(C)C[C@H](N)C(N)=O CP27361 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [0,0,1,0,0,0|1,0,0]=2 45 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [0,0,1,0,0,0|1,0,2]=4 46 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [0,0,1,0,0,0|1,0,2]=4 47 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [0,0,1,0,0,0|1,0,2]=4 48 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [0,0,1,0,0,0|1,0,2]=4 49 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [0,0,1,0,0,0|1,0,2]=4 50 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,0,1,0,0,0|1,0,1]=3 54 B7R0.4 C#CCNCC(=O)O CP25644 [1,0,1,0,0,0|0,0,2]=4 55 B7R0.4 C=CCNCC(=O)O CP25888 [1,0,1,0,0,0|0,0,2]=4 56 B7R0.4 NCCCCC(=O)O CP04601 [1,0,1,0,0,0|0,0,0]=2 57 B7R0.4 NCCNCC(=O)O CP26849 [1,0,1,0,0,0|1,0,0]=3 58 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,0,1,0,0,0|0,0,2]=4 59 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,0,1,0,0,0|0,0,2]=4 60 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,0,1,0,0,0|0,0,2]=4 61 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,0,1,0,0,0|0,0,2]=4 62 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,0,1,0,0,0|0,0,2]=4 63 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,0,1,0,0,0|0,0,2]=4 64 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,0,1,0,0,0|0,0,0]=2 67 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,0,1,0,0,0|0,0,0]=2 68 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [1,0,1,0,0,0|1,0,0]=3 69 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,0,1,0,0,0|1,0,0]=3 70 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.5 NC(CCO)C(=O)O CP06601 [1,0,1,0,0,0|0,0,0]=2 72 B7R0.5 NCCC(N)C(=O)O CP05302 [1,0,1,0,0,0|1,0,0]=3 73 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,0,1,0,0,0|1,0,0]=3 74 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,0,1,0,0,0|0,0,0]=2 76 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,0,1,0,0,0|0,1,0]=3 77 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,0,1,0,0,0|0,0,0]=2 78 B7R0.15 CN[C@@H](CO)C(=O)O CP25655 [1,0,1,0,0,0|0,0,0]=2 79 B7R0.15 NC[C@@H](CO)C(=O)O CP02273 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.15 NC[C@H](CO)C(=O)O CP02274 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.2 CC(C)C[C@H](N)CO CP27433 [1,0,1,0,0,0|1,0,1]=4 82 B9R0.13 CCCC[C@H](NC)C(=O)O CP26514 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.13 CN[C@@H](CCCN)C(=O)O CP26477 [0,1,1,0,0,0|2,0,0]=4 84 B9R0.47 N[C@@H](CSCCO)C(=O)O AAD-010 [0,1,1,0,0,0|2,0,0]=4 85 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CP25627 [0,1,1,0,0,0|2,0,0]=4 86 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CP01229 [0,1,1,0,0,0|1,0,0]=3 87 B9R0.39 CNC(CC(C)C)C(=O)O CP26895 [0,1,1,0,0,0|1,0,0]=3 88 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CP27105 [0,1,1,0,0,0|0,0,1]=3 89 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CP25734 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CP27313 [0,1,1,0,0,0|0,0,1]=3 91 B9R0.11 CC(C)CC(C)(N)C(=O)O CP26383 [0,1,1,0,0,0|1,0,0]=3 92 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O CP27713 [0,1,1,0,0,0|1,0,0]=3 93 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CP25139 [0,1,1,0,0,0|1,0,0]=3 94 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O CP25360 [0,1,1,0,0,0|1,0,1]=4 95 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CP25749 [0,1,1,0,0,0|1,0,1]=4 96 B9R0.57 CC(C)(C)CC(N)C(=O)O CP26166 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CP26087 [0,1,1,0,0,0|1,0,0]=3 98 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CP25910 [0,1,1,0,0,0|1,0,0]=3 99 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CP00610 [0,1,1,0,0,0|2,0,0]=4 100 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [0,1,1,0,0,0|1,0,1]=4 101 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05901 [0,1,1,0,0,0|1,0,1]=4 102 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05903 [0,1,1,0,0,0|1,0,1]=4 103 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06704 [0,1,1,0,0,0|1,0,1]=4 104 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06705 [0,1,1,0,0,0|1,0,1]=4 105 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CP06703 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O CP05902 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CP06702 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.53 CC(C)C[C@H](N)CC(=O)O CP26114 [0,1,1,0,0,0|2,0,0]=4 109 B9R1.11 COC(=O)C1CCCN1 CP27486 [1,1,0,0,0,0|0,0,0]=2 110 B9R1.11 COC(=O)[C@@H]1C=CCN1 CP25497 [1,1,0,0,0,0|0,0,2]=4 111 B9R1.11 COC(=O)[C@@H]1CCCN1 CP01723 [1,1,0,0,0,0|0,0,0]=2 112 B9R1.11 COC(=O)[C@H]1CCCN1 CP25969 [1,1,0,0,0,0|0,0,0]=2 113 B9R1.41 CN1CCC[C@H]1C(=O)O CP27145 [1,1,0,0,0,0|0,0,0]=2 114 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CP25841 [1,1,0,0,0,0|0,0,0]=2 115 B9R1.163 C[C@]1(C(=O)O)CCCN1 CP25960 [1,1,0,0,0,0|0,0,0]=2 116 B9R1.163 NC1(C(=O)O)CCCC1 CP19701 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 CP25940 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 CP25939 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 CP01116 [0,2,0,0,0,0|0,0,0]=2 120 B9R1.6 O=C(O)C1CCCCN1 CP22501 [0,0,1,1,0,0|1,0,0]=3 121 B9R1.6 O=C(O)C1CCCCN1 CP27188 [0,0,1,1,0,0|1,0,0]=3 122 B9R1.6 O=C(O)[C@@H]1CCCCN1 CP25459 [0,0,1,1,0,0|1,0,0]=3 123 B7R0.16 CC(C)C(N)C(=O)O CP02203 [0,0,1,0,1,0|1,0,0]=3 124 B7R0.16 CC(C)C(O)C(=O)O CP26523 [0,0,1,0,1,0|2,0,0]=4 125 B7R0.16 CC(C)[C@@H](N)C(=O)O CP02201 [0,0,1,0,1,0|1,0,0]=3 126 B7R0.16 CC(C)[C@@H](O)C(=O)O CP26522 [0,0,1,0,1,0|2,0,0]=4 127 B7R0.16 CC(C)[C@H](N)C(=O)O CP02202 [0,0,1,0,1,0|1,0,0]=3 128 B7R0.16 CC(C)[C@H](N)C(N)=O CP27016 [0,0,1,0,1,0|2,0,0]=4 129 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O CP27255 [0,0,1,0,1,0|1,0,0]=3 130 B7R0.16 CC(N)C(N)C(=O)O CP05201 [0,0,1,0,1,0|1,0,0]=3 131 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CP05202 [0,0,1,0,1,0|1,0,0]=3 132 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [0,0,1,0,1,0|0,0,0]=2 133 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [0,0,1,0,1,0|0,0,0]=2 134 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [0,0,1,0,1,0|0,0,0]=2 135 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [0,0,1,0,1,0|0,0,0]=2 136 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CP01935 [0,0,1,0,1,0|1,0,0]=3 137 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CP05203 [0,0,1,0,1,0|1,0,0]=3 138 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CP05204 [0,0,1,0,1,0|1,0,0]=3 139 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [0,0,1,0,1,0|0,0,0]=2 140 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [0,0,1,0,1,0|0,0,0]=2 141 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [0,0,1,0,1,0|1,0,1]=4 142 B7R1.18 O=C(O)C1CNC1 CP20401 [1,0,0,0,1,0|1,0,0]=3 143 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [1,0,0,0,1,0|0,0,0]=2 144 B9R1.13 O=C(O)C[C@@H]1CCCN1 CP25884 [1,0,0,0,0,1|0,0,0]=2 145 B9R1.13 O=C(O)C[C@H]1CCCN1 CP25847 [1,0,0,0,0,1|0,0,0]=2