0 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 DY444131 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 NO18297 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 O=C(O)C1=CC=C(Br)N1 NO16375 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 DY622149 [0,0,0,0,0,0|1,1,0]=2 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 O=C1C=C(C(=O)O)CO1 DY531771 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,0,0,0,0,0|0,0,0]=0 27 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.35 O=C1CNC(C(=O)O)C1 DY583413 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.35 O=C1N[C@H](C(=O)O)CO1 DY536619 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.1 CCC1COC(=O)N1 DY607707 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 O=C1CCC(CO)N1 DY564003 [1,0,0,0,0,0|0,0,1]=2 34 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [1,0,0,0,0,0|0,0,1]=2 35 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [1,0,0,0,0,0|0,0,1]=2 36 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 CC(=O)C1CCCC1 DY445790 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 CC(=O)C1CCCC1 NO20673 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 CC(=O)C1CCCO1 DY586599 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.7 NC(=O)C1CC=CC1 NO11184 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 NC(=O)C1CCCC1 DY794313 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.7 NC(=O)C1CCNC1 DY555753 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 NC(=O)C1CCNC1 DY565263 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.7 O=C(O)C1=CC=CN1 NO17766 [1,0,0,0,0,0|0,0,3]=4 50 B8R1.7 O=C(O)C1=NC=CN1 NO19852 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.7 O=C(O)C1=NCCC1 DY584439 [1,0,0,0,0,0|0,0,3]=4 52 B8R1.7 O=C(O)C1C=CCN1 DY436935 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 O=C(O)C1C=CCO1 DY788385 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 O=C(O)C1CCCN1 NO18287 [1,0,0,0,0,0|0,0,1]=2 55 B8R1.7 O=C(O)C1CCCO1 DY20393 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.7 O=C(O)C1CCNC1 NO18444 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1CCNC1 NO19637 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)C1CCOC1 DY444586 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(O)C1CCSS1 DY566085 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 O=C(O)C1NCCS1 NO16514 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [1,0,0,0,0,0|0,0,1]=2 65 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.14 COC(=O)C1CCC(=O)N1 NO15487 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.14 COC(=O)C1CCC(N)C1 NO17586 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.14 COC(=O)C1CNC(=O)C1 NO12232 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.14 COC(=O)N1CCC(=O)C1 NO16708 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 DY104918 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 NO14546 [0,1,0,0,0,0|0,0,0]=1 74 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 DY625891 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.14 COC(=O)[C@@H]1CSC(=O)N1 DY622809 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 DY625411 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.58 C[C@@H]1C[C@@H](C(=O)O)N[C@@H]1C DY525111 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.59 O=C1CC(C(=O)O)C(=O)N1 DY718269 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C DY536097 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.359 CC1(C)CCC(C(=O)O)N1 DY628815 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,0,1,0,0,0|1,0,1]=3 85 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,0,1,0,0,0|1,0,1]=3 86 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,0,1,0,0,0|2,0,0]=3 89 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DY436012 [0,0,1,0,0,0|0,0,0]=1 90 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.23 CC(CC(=O)O)C(=O)O DY556815 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O DY622059 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.23 O=C(O)C[C@H](S)C(=O)O DY625003 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,0,1,0,0,0|1,0,0]=2 101 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.28 N=C(N)NCCC(=O)O DY550569 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,0,1,0,0,0|0,0,0]=1 106 B8R0.28 NC(=O)CCCC(N)=O DY549807 [0,0,1,0,0,0|1,0,0]=2 107 B8R0.28 NC(=O)COCC(=O)O DY604478 [0,0,1,0,0,0|1,0,0]=2 108 B10R2.14 O=C1CC[C@@H](C2CC2)N1 DY586260 [0,0,0,1,0,0|2,0,1]=4 109 B10R2.178 O=C1NCC2CCC1N2 DY105362 [0,0,0,1,0,0|2,0,1]=4 110 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 DY460908 [0,0,0,1,0,0|2,0,1]=4 111 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 NO17814 [0,0,0,1,0,0|2,0,1]=4 112 B10R2.357 O=C(O)[C@H]1C[C@H]2C[C@H]2N1 DY511905 [0,0,0,1,0,0|1,0,1]=3 113 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [0,0,0,0,1,0|2,0,1]=4 114 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [0,0,0,0,1,0|3,0,0]=4 115 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [0,0,0,0,1,0|2,0,1]=4 116 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [0,0,0,0,1,0|2,0,1]=4 117 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [0,0,0,0,1,0|2,0,1]=4 118 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [0,0,0,0,1,0|2,0,1]=4 119 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,0,0,0,1,0|1,0,2]=4 120 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,0,0,0,1,0|1,0,2]=4 121 B8R1.23 O=C1CC(C(=O)O)C1 NO18894 [0,0,0,0,1,0|1,0,0]=2 122 B10R1.13 CC(=O)C1CC=C(C)CC1 NO14813 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.13 CC1=CCC(C(=O)O)CC1 DY460152 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.13 CC1CCC(C(N)=O)CN1 DY425228 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 NO14216 [0,0,0,0,0,1|2,0,1]=4 126 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO12037 [0,0,0,0,0,1|2,0,1]=4 127 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO14217 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 DY527007 [0,0,0,0,0,1|0,0,2]=3 129 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 DY428316 [0,0,0,0,0,1|1,0,2]=4 130 B10R1.13 O=C1C=CC(C(=O)O)N=N1 NO17837 [0,0,0,0,0,1|0,0,3]=4 131 B10R1.54 CC(C)C[C@H]1CCC(=O)N1 DY513969 [0,0,0,0,0,1|2,0,1]=4 132 B10R1.54 O=C(O)CN1CCC(=O)C1 DY666191 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 DY585996 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 CC(C)C1CCCC(=O)N1 DY585707 [0,0,0,0,0,1|2,0,1]=4 135 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 DY501044 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.113 CC(C)[C@H]1COCC(=O)N1 DY516069 [0,0,0,0,0,1|2,0,1]=4 137 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 NO13084 [0,0,0,0,0,1|2,0,1]=4 138 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,0,0,0,0,1|2,0,1]=4 139 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,0,0,0,0,1|2,0,1]=4 140 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 DY540669 [0,0,0,0,0,1|1,0,2]=4 143 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 DY620581 [0,0,0,0,0,1|1,0,2]=4 144 B10R1.113 O=C1C=NC=C(C(=O)O)N1 NO17150 [0,0,0,0,0,1|0,0,3]=4 145 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.113 O=C1N=CC=C(C(=O)O)N1 NO12225 [0,0,0,0,0,1|0,0,3]=4 147 B7R0.3 COC(=O)CCC=O DY21172 [1,0,1,0,0,0|2,0,0]=4 148 B7R0.4 C#CCCCC(=O)O NO14686 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.4 CCCOCC(=O)O DY425744 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.4 CNCCCC(=O)O DY702793 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [1,0,1,0,0,0|0,0,2]=4 152 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [1,0,1,0,0,0|0,0,2]=4 153 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,0,1,0,0,0|0,0,1]=3 154 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,0,1,0,0,0|0,0,1]=3 155 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [1,0,1,0,0,0|1,0,1]=4 156 B7R0.5 COC[C@H](N)C(=O)O NO16755 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.5 COC[C@H](N)C(=O)O NO20335 [1,0,1,0,0,0|1,0,1]=4 158 B7R0.5 NC(CCO)C(=O)O NO13886 [1,0,1,0,0,0|0,0,1]=3 159 B7R0.5 NCCC(N)C(=O)O DY700789 [1,0,1,0,0,0|1,0,0]=3 160 B7R0.5 NCCC(N)C(=O)O NO15080 [1,0,1,0,0,0|1,0,0]=3 161 B7R0.5 NCCC(O)C(=O)O NO15496 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [1,0,1,0,0,0|1,0,0]=3 164 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [1,0,1,0,0,0|0,0,1]=3 166 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [1,0,1,0,0,0|0,0,1]=3 167 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,0,1,0,0,0|1,0,0]=3 169 B7R0.6 CC(=O)NCC(=O)O NO19131 [1,0,1,0,0,0|0,0,0]=2 170 B7R0.6 CC(=O)SCC(=O)O DY447723 [1,0,1,0,0,0|1,0,0]=3 171 B7R0.6 N=C(N)NCC(=O)O DY550479 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [1,0,1,0,0,0|0,0,2]=4 173 B7R1.1 O=CC1CCCC1 DY21048 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [2,0,0,0,0,0|0,0,1]=3 175 B7R1.1 OCC1CCCN1 DY556821 [2,0,0,0,0,0|0,0,2]=4 176 B7R1.1 OCC1CCCN1 DY668415 [2,0,0,0,0,0|0,0,2]=4 177 B7R1.1 OC[C@@H]1CCCN1 NO22640 [2,0,0,0,0,0|0,0,2]=4 178 B7R1.1 OC[C@H]1CCCN1 NO17003 [2,0,0,0,0,0|0,0,2]=4 179 B7R1.2 CC1CCC(=O)N1 DY505299 [2,0,0,0,0,0|0,0,1]=3 180 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.2 O=C1CC(O)CN1 NO14706 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.2 O=C1CCC(=O)C1 DY552447 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.2 O=C1CCC(=O)N1 DY822949 [2,0,0,0,0,0|0,0,1]=3 185 B7R1.2 O=C1CSC(=O)N1 NO22526 [2,0,0,0,0,0|1,0,1]=4 186 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,1,1,0,0,0|1,0,0]=3 189 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.7 NC(=O)[C@H](N)CCC(=O)O DY437668 [0,1,1,0,0,0|1,0,0]=3 192 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,1,1,0,0,0|0,0,0]=2 193 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,1,1,0,0,0|0,0,0]=2 194 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,1,1,0,0,0|0,0,0]=2 195 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] DY792687 [0,1,1,0,0,0|0,0,1]=3 196 B9R0.7 O=C(O)CCC(=O)C(=O)O DY822245 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.7 O=C(O)CCC(=O)C(=O)O NO14149 [0,1,1,0,0,0|1,0,1]=4 198 B9R0.47 C=CCCC[C@@H](N)C(=O)O DY628077 [0,1,1,0,0,0|1,0,0]=3 199 B9R0.47 CCCCCC(N)C(=O)O DY506843 [0,1,1,0,0,0|1,0,1]=4 200 B9R0.47 CCSCC[C@@H](N)C(=O)O DY558999 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.47 NCCCCC(N)C(=O)O NO18635 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 NCCCCC(N)C(=O)O NO19277 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [0,1,1,0,0,0|1,0,1]=4 208 B9R0.47 NCCOC[C@H](N)C(=O)O DY584403 [0,1,1,0,0,0|1,0,1]=4 209 B9R0.47 N[C@@H](CCCNO)C(=O)O DY551895 [0,1,1,0,0,0|0,0,2]=4 210 B9R0.23 CN(CC(=O)O)C(=O)CCl DY703687 [0,1,1,0,0,0|1,0,0]=3 211 B9R0.23 COC(=O)[C@H](N)CC(=O)O DY436254 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.23 COC(=O)[C@H](O)CC(=O)O DY622299 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.24 COC(=O)CNC(=O)CN DY439205 [0,1,1,0,0,0|1,0,0]=3 214 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,1,1,0,0,0|1,0,0]=3 215 B9R0.15 C=CCC(CCC)C(=O)O DY527859 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.39 CC(=O)N[C@H](CS)C(=O)O NO19200 [0,1,1,0,0,0|1,0,0]=3 217 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O DY437899 [0,1,1,0,0,0|2,0,0]=4 218 B9R0.11 CC(=O)NC(C)(C)C(=O)O DY607587 [0,1,1,0,0,0|0,0,0]=2 219 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl NO21206 [0,1,1,0,0,0|2,0,0]=4 220 B9R0.11 CC(C)(CC(=O)O)C(=O)O NO19959 [0,1,1,0,0,0|2,0,0]=4 221 B9R0.79 CC(C(=O)O)C(N)C(=O)O DY20536 [0,1,1,0,0,0|2,0,0]=4 222 B9R0.1 C=CC(=O)OCCC(=O)O DY822567 [0,1,1,0,0,0|2,0,0]=4 223 B9R0.53 CN(CC(=O)O)CC(=O)O DY554895 [0,1,1,0,0,0|2,0,0]=4 224 B9R0.53 NC(CC(=O)O)CC(=O)O DY439301 [0,1,1,0,0,0|1,0,0]=3 225 B9R1.7 NCCC1CCC(=O)N1 DY667478 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.132 CN1C(=O)CCC1CO DY102373 [1,1,0,0,0,0|0,0,1]=3 228 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [1,1,0,0,0,0|0,0,1]=3 229 B9R1.11 COC(=O)C1CCCN1 NO11440 [1,1,0,0,0,0|0,0,1]=3 230 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [1,1,0,0,0,0|0,0,1]=3 231 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.11 COC(=O)[C@@H]1CSCN1 DY565929 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [1,1,0,0,0,0|0,0,1]=3 235 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O DY554385 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.41 NC1CCCC1C(=O)O DY585767 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.41 O=C(O)C1COCC1F DY584206 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [1,1,0,0,0,0|0,0,1]=3 240 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [1,1,0,0,0,0|0,0,1]=3 241 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [1,1,0,0,0,0|0,0,1]=3 242 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [1,1,0,0,0,0|0,0,1]=3 243 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.163 NC1(C(=O)O)CCOC1 DY20730 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.163 N[C@]1(C(=O)O)CCNC1 DY566973 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.152 CC1(C(=O)O)CC(=O)C1 DY546381 [0,1,0,0,1,0|1,0,0]=3 249 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N DY505035 [0,1,0,0,1,0|1,0,1]=4 250 B11R1.21 CN1CC(C(=O)O)NCC1=O DY611644 [0,1,0,0,0,1|1,0,0]=3 251 B11R1.22 COC(=O)C1CCC(=O)CC1 NO15890 [0,1,0,0,0,1|1,0,0]=3 252 B11R1.22 COC(=O)C1CCC(O)CN1 DY585606 [0,1,0,0,0,1|0,0,2]=4 253 B11R1.22 COC(=O)C1CNC(=O)CN1 DY530901 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 DY608490 [0,1,0,0,0,1|1,0,0]=3 255 B11R1.23 COC(=O)C1CNCC(=O)N1 NO17830 [0,1,0,0,0,1|0,0,0]=2 256 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 DY102440 [0,1,0,0,0,1|1,0,0]=3 257 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 NO11545 [0,1,0,0,0,1|0,0,1]=3 258 B11R1.167 CC1=N[C@H](C(=O)O)[C@@H](O)CN1 DY530175 [0,1,0,0,0,1|1,0,1]=4 259 B11R1.167 O=C1CNC(=O)C(C(=O)O)N1 DY583371 [0,1,0,0,0,1|0,0,1]=3 260 B11R1.15 CCOC(=O)C1CCC(=O)N1 DY628917 [0,2,0,0,0,0|0,0,0]=2 261 B11R1.15 CCOC(=O)N1CCC(=O)C1 NO18745 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 NO15722 [0,2,0,0,0,0|0,0,0]=2 263 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 DY627951 [0,2,0,0,0,0|1,0,1]=4 264 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 NO15604 [0,2,0,0,0,0|0,0,0]=2 265 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 DY701065 [0,2,0,0,0,0|0,0,0]=2 266 B11R1.226 COC(=O)[C@H]1C[C@@H](O)C(=O)N1 DY557613 [0,2,0,0,0,0|0,0,0]=2 267 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C DY586074 [0,2,0,0,0,0|0,0,0]=2 268 B11R1.48 CCN1CC(C(=O)O)CC1=O DY558543 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.175 CC(=O)N1CC[C@@H](C(=O)O)C1 DY738242 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 DY547227 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.489 CC1(C)OC(=O)CC1C(=O)O DY572049 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [0,0,1,1,0,0|2,0,0]=4 273 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,0,1,1,0,0|1,0,1]=4 274 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [0,0,1,1,0,0|2,0,0]=4 275 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,0,1,1,0,0|1,0,1]=4 276 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,0,1,1,0,0|1,0,1]=4 277 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,0,1,1,0,0|1,0,1]=4 278 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [0,0,1,1,0,0|2,0,0]=4 279 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,0,1,1,0,0|1,0,1]=4 280 B9R1.69 NC1CCC(=O)NC1=O NO13348 [0,0,1,1,0,0|1,0,0]=3 281 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O DY528279 [0,0,1,1,0,0|1,0,0]=3 282 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,0,1,1,0,0|1,0,1]=4 283 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,0,1,1,0,0|1,0,1]=4 284 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,0,1,1,0,0|1,0,1]=4 285 B9R1.10 CC1(O)CCC(=O)NC1 DY639130 [0,0,1,1,0,0|1,0,1]=4 286 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,0,1,1,0,0|1,0,1]=4 287 B9R1.53 CC(=O)OC1CC(=O)N1 NO18165 [0,0,1,1,0,0|2,0,0]=4 288 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 DY103481 [0,0,1,1,0,0|1,0,1]=4 289 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 DY517035 [1,0,0,1,0,0|1,0,0]=3 290 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [1,0,0,1,0,0|1,0,1]=4 291 B11R2.1839 O=C(O)C12CC[C@H](C1)NC2 DY585742 [0,0,0,1,0,1|1,0,1]=4 292 B11R2.139 O=C1CC2CC(=O)CC2C1 NO12011 [0,0,0,1,0,1|2,0,0]=4 293 B11R2.60 O=C1CCN2C(=O)CCN12 DY770775 [0,1,0,1,0,0|2,0,0]=4 294 B11R2.738 O=C1NC2CC1C(O)C2O DY523581 [0,1,0,1,0,0|0,0,2]=4 295 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 DY446945 [0,1,0,1,0,0|1,0,1]=4 296 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [0,0,1,0,1,0|1,0,0]=3 297 B7R0.16 CC(=O)C(Cl)C(C)=O DY461118 [0,0,1,0,1,0|2,0,0]=4 298 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,0,1,0,1,0|1,0,0]=3 299 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,0,1,0,1,0|2,0,0]=4 300 B7R1.10 COC1CC(=O)N1 DY548379 [1,0,0,0,1,0|2,0,0]=4 301 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,0,1,0|0,0,1]=3 302 B7R1.18 O=C(O)C1CCN1 NO18844 [1,0,0,0,1,0|0,0,0]=2 303 B7R1.18 O=C(O)C1CNC1 NO16485 [1,0,0,0,1,0|1,0,1]=4 304 B7R1.18 O=C(O)C1COC1 NO22389 [1,0,0,0,1,0|1,0,1]=4 305 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [1,0,0,0,1,0|0,0,0]=2 306 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [1,0,0,0,1,0|0,0,0]=2 307 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [1,0,0,0,1,0|0,0,0]=2 308 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,0,0,0,2,0|0,0,2]=4 309 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,0,0,0,2,0|0,0,2]=4 310 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,0,0,0,2,0|1,0,1]=4 311 B9R0.4 CSCC[C@H](N)CC(=O)O DY570603 [0,0,1,0,0,1|2,0,0]=4 312 B9R0.4 NCCCC(N)CC(=O)O DY583857 [0,0,1,0,0,1|1,0,1]=4 313 B9R0.55 CC(=O)NCCCC(=O)O DY547305 [0,0,1,0,0,1|1,0,0]=3 314 B9R0.55 O=C(O)CCCCC(=O)O DY522735 [0,0,1,0,0,1|1,0,0]=3 315 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [1,0,0,0,0,1|0,0,1]=3 316 B9R1.2 O=C1COCC(CO)N1 NO17255 [1,0,0,0,0,1|0,0,1]=3 317 B9R1.13 NC(=O)CC1CCCN1 DY586075 [1,0,0,0,0,1|1,0,1]=4 318 B9R1.13 O=C(O)CC1CCOC1 NO20367 [1,0,0,0,0,1|2,0,0]=4 319 B11R1.20 CC(=O)NC1CCC(=O)CC1 NO14069 [0,0,0,0,0,2|2,0,0]=4 320 B11R1.497 NC(=O)C1CCCCC(=O)N1 DY743383 [0,0,0,0,0,2|1,0,0]=3