0 B9R0.23 C=C(CC(C)C)C(=O)OC DY547623 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.23 COC(=O)[C@H](C)NC(C)=O DY436018 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.23 COC(=O)[C@H](N)CC(=O)O DY436254 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.23 COC(=O)[C@H](O)CC(=O)O DY622299 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.9 C=CC(=O)OCC(C)C DY822663 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.9 COC(=O)CCC(=O)O NO11694 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.9 COC(=O)CCS(=O)[O-] NO11954 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 O=C(O)CC(O)C(=O)O NO11286 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DY20429 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.32 CCOC(=O)C(=O)CC(C)C NO15204 [0,1,0,0,0,0|0,0,2]=3 21 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.46 COC(=O)C[C@H](N)C(=O)OC DY436272 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.46 COC(=O)C[C@H](O)C(=O)OC NO19201 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.54 COC(=O)[C@H](CO)NC(C)=O DY436109 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.14 COC(=O)C1CCC(N)C1 NO17586 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.14 COC(=O)C1CNC(C)C1 DY520101 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.14 COC(=O)N1CCC(N)C1 DY585745 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 DY104918 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 NO18459 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 DY586640 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 NO11437 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 DY586646 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.64 CN(C)CC1CCCC1=O DY604036 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.413 COC(=O)N1CC(C)(N)C1 DY585812 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.424 COC(=O)C1(C)CC(O)C1 DY530913 [0,0,0,1,0,0|2,0,0]=3 36 B8R0.2 COC(=O)C(Br)C(C)C NO11601 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.2 COC(=O)C(N)C(C)=O DY700224 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.2 COC(=O)C(N)C(C)O NO17155 [0,0,0,0,1,0|2,0,0]=3 39 B8R0.2 COC(=O)[C@@H](N)C(C)C NO22265 [0,0,0,0,1,0|1,0,0]=2 40 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O NO17112 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.2 COC(=O)[C@H](N)C(C)C DY438304 [0,0,0,0,1,0|1,0,0]=2 42 B8R0.2 COC(=O)[C@H](N)C(C)C NO13949 [0,0,0,0,1,0|1,0,0]=2 43 B8R0.2 COC(=O)[C@H](N)[C@H](C)O NO15233 [0,0,0,0,1,0|2,0,0]=3 44 B10R0.57 COC(=O)[C@@H](N)CCC(C)C DY625885 [0,0,0,0,0,1|1,0,0]=2 45 B7R0.3 C#CCCC(=O)OC DY424002 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.3 CC\C=C\C(=O)OC DY741019 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.3 COC(=O)CCC#N DY553731 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 COC(=O)CCC=O DY21172 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.5 CCCC(C)C(C)=O DY740965 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 COC[C@H](N)C(=O)O NO16755 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 COC[C@H](N)C(=O)O NO20335 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 NC(CCO)C(=O)O NO13886 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 NCCC(N)C(=O)O DY700789 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 NCCC(N)C(=O)O NO15080 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 NCCC(O)C(=O)O NO15496 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.10 C=C(CC)C(=O)OC DY541119 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.10 CCC(Br)C(=O)OC NO14136 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.10 COC(=O)C(Br)CBr DY740875 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.10 COC(=O)C(C)OC DY822756 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)C(F)CO NO17081 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.10 COC(=O)C(N)CCl NO22615 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.10 COC(=O)C(N)CO NO16785 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.10 COC(=O)[C@H](N)CO NO16778 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.2 CC(C)C[C@H](N)CO NO19307 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.2 CN(C)CC(O)CO NO15349 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.6 C=C(C)CCC(=O)O NO16527 [2,0,0,0,0,0|0,0,2]=4 79 B7R0.6 CC(=O)CCC(=O)O NO18688 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.6 CC(C)CCC(=N)N DY611066 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.6 CN(C)CCC(=O)O NO12169 [2,0,0,0,0,0|1,0,0]=3 82 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [1,1,0,0,0,0|0,0,2]=4 83 B9R0.35 CCCC(=O)C(O)CCC DY556689 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.21 CNC(=O)CCC(C)(C)N DY610458 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.42 CCC(=O)OC(Cl)C(C)C NO20670 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.42 COC(=O)CC(=O)C(C)C NO11675 [1,1,0,0,0,0|0,0,1]=3 88 B9R0.42 COC(=O)CC(C)C(C)=O DY584386 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.39 CN[C@@H](CC(C)C)C(=O)O DY437917 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O DY701695 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C NO19634 [0,1,0,0,1,0|1,0,0]=3 92 B11R0.63 COC(=O)C(N)C(=O)CC(C)C DY795273 [0,1,0,0,0,1|0,0,2]=4 93 B11R0.91 COC(=O)CC(CN)CC(C)C NO17720 [0,1,0,0,0,1|1,0,0]=3 94 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C NO17721 [0,1,0,0,0,1|1,0,0]=3 95 B11R0.110 COC(=O)CC(O)CC(=O)OC NO11253 [0,1,0,0,0,1|1,0,1]=4 96 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C DY435213 [0,1,0,0,0,1|1,0,0]=3 97 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F DY459588 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.39 COC(=O)[C@H](CC(C)C)N=C=S DY792963 [0,2,0,0,0,0|0,1,0]=3 99 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.5 NC1CCCCNC1=O NO15569 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.5 NC1CCCCNC1=O NO15816 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.5 O=C1NCCCCC1Br DY550035 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=CCCC1 NO18911 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.11 COC(=O)C1CCCN1 NO11440 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [1,0,0,1,0,0|0,0,0]=2 108 B9R1.11 COC(=O)[C@@H]1CSCN1 DY565929 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CO[C@H]1CCCC[C@@H]1O DY620334 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.69 CC1CNC(=O)C(C)C1 DY636400 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.82 COC(=O)C1CC(N)C1 NO15952 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [1,0,0,1,0,0|0,0,0]=2 115 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO DY573705 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.101 COC(=O)[C@H](N)C1CC1 DY520899 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.186 COC(=O)C1(C)CCC1 DY570435 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.186 COC(=O)C1(N)CCC1 NO11175 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.186 COC(=O)C1(O)CNC1 DY582309 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.10 C=C1CCC(C)(C)CC1 DY105700 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.10 CC1(C)C=CC(=O)CC1 DY453634 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.10 CC1(C)CCC(=O)CC1 NO22420 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.10 CC1(C)CCC(=O)NC1 DY638878 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.10 CC1(O)CCC(=O)CC1 NO14351 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.10 CC1(O)CCC(=O)NC1 DY639130 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.49 CN1CCCC(=O)CC1 NO13899 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.185 COC(=O)C1CC1(C)C DY758545 [1,0,0,1,0,0|0,0,0]=2 130 B9R1.36 CC1(C)CC(N)C(=O)O1 DY585320 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 DY104156 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O DY586271 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.164 CC1(O)CC(C(=O)O)C1 NO16009 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N DY505035 [0,0,0,1,1,0|2,0,0]=4 138 B11R1.22 COC(=O)C1CCC(O)CC1 NO11647 [0,0,0,1,0,1|2,0,0]=4 139 B11R1.22 COC(=O)C1CCC(O)CN1 DY585606 [0,0,0,1,0,1|2,0,0]=4 140 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 NO14495 [0,0,0,1,0,1|2,0,0]=4 141 B11R1.866 COC(=O)[C@@H]1COC(C)(C)O1 NO10903 [0,0,0,1,0,1|0,0,0]=2 142 B11R1.866 COC(=O)[C@H]1COC(C)(C)O1 NO14750 [0,0,0,1,0,1|0,0,0]=2 143 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 DY627951 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 DY703087 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.351 CCOC(=O)C(=O)CC1CC1 DY565005 [0,1,0,1,0,0|0,0,2]=4 146 B11R1.645 CC(C)C[C@H]1NC(=O)OC1=O DY557517 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.833 CCOC(=O)C1(C)CC(N)C1 DY584140 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.23 COC(=O)C1CC(O)CCN1 DY445802 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.23 COC(=O)C1CNCC(O)C1 DY509780 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 DY627506 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 DY518175 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 DY458507 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 DY102121 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.23 COC(=O)[C@H]1COC[C@@H](O)C1 DY504117 [0,1,0,1,0,0|1,0,0]=3 155 B11R1.293 COC(=O)[C@H](C)NC1CSC1 DY586287 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.1082 COC(=O)C1(N)CC(CO)C1 DY532437 [0,1,0,1,0,0|1,0,0]=3 157 B11R2.911 COC(=O)[C@@H]1NC[C@H]2C[C@H]21 DY684862 [0,0,0,2,0,0|1,0,0]=3 158 B11R2.1923 COC(=O)C12CC(Cl)(C1)C2 DY742039 [0,0,0,2,0,0|2,0,0]=4 159 B11R2.1923 COC(=O)C12CC(N)(C1)C2 DY103379 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.1923 COC(=O)C12CC(O)(C1)C2 DY539283 [0,0,0,2,0,0|2,0,0]=4 161 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [1,0,0,0,1,0|2,0,0]=4 162 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [1,0,0,0,1,0|2,0,0]=4 163 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [1,0,0,0,1,0|1,0,0]=3 164 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [1,0,0,0,1,0|2,0,0]=4 165 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [1,0,0,0,1,0|2,0,0]=4 166 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [1,0,0,0,1,0|2,0,0]=4 167 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [1,0,0,0,1,0|2,0,0]=4 168 B9R0.1 COC(=O)\C=C\CN(C)C DY822715 [1,0,0,0,0,1|1,0,1]=4