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O=C1CC[C@H](C(=O)O)N1 OR8966 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 CC(C)C1CCCN1 OR12519 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 O=C(Cl)C1CCOC1 OR16566 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 O=C(O)C1C=CCN1 OR6272 [1,0,0,0,0,0|0,0,2]=3 21 B8R1.7 O=C(O)C1CC=CC1 OR12005 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 O=C(O)C1CCCC1 OR18358 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 O=C(O)C1CCCN1 OR350110 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.7 O=C(O)C1CCCO1 OR10057 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 O=C(O)C1CCOC1 OR16452 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 O=C(O)C1NCCS1 OR25449 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.7 OB(O)C1CCCC1 OR7833 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.14 COC(=O)C1CCC(=O)C1 OR42206 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 OR14759 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 OR17883 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 OR17882 [0,1,0,0,0,0|0,0,0]=1 34 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 OR8976 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.359 CC1(C)CCC(C(=O)O)C1 OR306499 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.8 C#CCOC(C)C(=O)O OR40324 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.9 NCC(=O)CCC(=O)O OR1490 [0,0,1,0,0,0|0,0,2]=3 38 B8R0.23 N[C@@H](CS(=O)O)C(=O)O OR9977T [0,0,1,0,0,0|2,0,0]=3 39 B8R0.23 O=C(O)CC(S)C(=O)O OR24868 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.23 O=C(O)C[C@@H](O)C(=O)O OR315008 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.23 O=C(O)C[C@H](O)C(=O)O OR51833 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.28 C=C(C)CCCC(=O)O OR16969 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.28 O=C(O)COCC(=O)O OR55403 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.28 O=C(O)CSCC(=O)O OR0788 [0,0,1,0,0,0|2,0,1]=4 45 B10R2.355 [C@@H]12CNC(C(=O)O)[C@@H]1C2 OR14181 [0,0,0,1,0,0|1,0,0]=2 46 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 OR310264 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [0,0,0,0,1,0|1,0,1]=3 48 B8R1.23 CC(=O)N1CC(N)C1 OR317198 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [0,0,0,0,1,0|1,0,0]=2 51 B8R1.23 O=C1CC(C(=O)O)C1 OR40464 [0,0,0,0,1,0|0,0,2]=3 52 B10R1.13 CN1CCC(C(=O)O)CC1 OR5738 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 CN1CCC(C(=O)O)CC1 OR6930 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 OR307148 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.13 NC1CCC(C(=O)O)CC1 OR17541 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 OR3286 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 OR3299 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 OR40634 [0,0,0,0,0,1|1,0,0]=2 59 B10R1.13 O=C1CCC(C(=O)O)CC1 OR6345 [0,0,0,0,0,1|1,0,2]=4 60 B10R1.113 CN1CCCC(C(=O)O)C1 OR5741 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.113 CN1CCCC(C(=O)O)C1 OR6929 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 OR55486 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.113 CN1CCC[C@H](C(=O)O)C1 OR55487 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.113 NC1CCCC(C(=O)O)C1 OR3300 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 OR52453 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.113 O=C1CCCC(C(=O)O)C1 OR12931 [0,0,0,0,0,1|1,0,2]=4 67 B7R0.4 C#CCCCC(=O)O OR30593 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.4 CCCCCC(=O)Cl OR8839 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.4 CCCCCC(=O)O OR6007 [1,0,1,0,0,0|1,0,0]=3 70 B7R0.4 NCCCCC(=O)O OR310635 [1,0,1,0,0,0|0,0,0]=2 71 B7R0.4 O=C(Cl)CCCCBr OR18308 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.4 O=C(O)CCCCBr OR9972 [1,0,1,0,0,0|1,0,0]=3 73 B7R0.4 O=C(O)COCCCl OR301184 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.5 C#CC[C@H](N)C(=O)O OR61064 [1,0,1,0,0,0|0,0,2]=4 75 B7R0.5 C=CC[C@@H](N)C(=O)O OR14737 [1,0,1,0,0,0|0,0,2]=4 76 B7R0.5 C=CC[C@H](N)C(=O)O OR14736 [1,0,1,0,0,0|0,0,2]=4 77 B7R0.5 CNCC(N)C(=O)O OR6120T [1,0,1,0,0,0|1,0,0]=3 78 B7R0.5 COCC(Cl)C(=O)O OR15940 [1,0,1,0,0,0|2,0,0]=4 79 B7R0.5 COCC(N)C(=O)O OR14804 [1,0,1,0,0,0|1,0,0]=3 80 B7R0.5 COC[C@H](N)C(=O)O OR55011 [1,0,1,0,0,0|1,0,0]=3 81 B7R0.5 NCCC(N)C(=O)O OR28169 [1,0,1,0,0,0|1,0,0]=3 82 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [1,0,1,0,0,0|0,0,0]=2 83 B7R0.6 CC(C)CCC(=O)O OR40421 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.6 CC(C)OCC(=O)O OR46564 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.15 CNC(CS)C(=O)O OR28148 [1,0,1,0,0,0|0,1,0]=3 88 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [1,0,1,0,0,0|0,0,0]=2 89 B7R0.2 CC(C)C[C@H](N)CO OR8973 [1,0,1,0,0,0|1,0,1]=4 90 B7R1.1 N#CC1CCCN1 OR2812 [2,0,0,0,0,0|1,0,1]=4 91 B7R1.1 N#C[C@@H]1CCCN1 OR55254 [2,0,0,0,0,0|1,0,1]=4 92 B7R1.1 N#C[C@H]1CCCN1 OR55256 [2,0,0,0,0,0|1,0,1]=4 93 B7R1.1 NC[C@H]1CCCN1 OR307046 [2,0,0,0,0,0|1,0,1]=4 94 B7R1.1 O=CC1CCCC1 OR16978 [2,0,0,0,0,0|1,0,0]=3 95 B7R1.1 OCC1CCCC1 OR46003 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.1 OCC1CCCN1 OR13968 [2,0,0,0,0,0|0,0,1]=3 97 B7R1.1 OC[C@@H]1CCCN1 OR5872 [2,0,0,0,0,0|0,0,1]=3 98 B7R1.1 OC[C@@H]1CCCO1 OR40670 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.1 OC[C@H]1CCCN1 OR14514 [2,0,0,0,0,0|0,0,1]=3 100 B7R1.1 OC[C@H]1CCCO1 OR307767 [2,0,0,0,0,0|1,0,1]=4 101 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [2,0,0,0,0,0|1,0,1]=4 103 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [2,0,0,0,0,0|0,0,1]=3 104 B9R0.13 CCCCC(CC)C(=O)O OR16495 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.51 CCCCC(C)(C)C(=O)O OR4136 [0,1,1,0,0,0|2,0,0]=4 106 B9R0.24 COC(=O)CCC(=O)CN OR1922 [0,1,1,0,0,0|0,0,2]=4 107 B9R0.39 CCC(CC(=O)O)C(=O)O OR7129 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O OR61606 [0,1,1,0,0,0|1,0,0]=3 109 B9R0.53 CN(CC(=O)O)CC(=O)O OR51834 [0,1,1,0,0,0|1,0,1]=4 110 B9R1.11 COC(=O)C1=CCCC1 OR1990 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.11 COC(=O)C1NCCS1 OR8944 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.11 COC(=O)[C@@H]1CCCN1 OR11387 [1,1,0,0,0,0|0,0,0]=2 113 B9R1.11 COC(=O)[C@H]1CCCN1 OR18616 [1,1,0,0,0,0|0,0,0]=2 114 B9R1.41 NN1CCC[C@@H]1C(=O)O OR2800T [1,1,0,0,0,0|0,0,0]=2 115 B9R1.163 C[C@@]1(C(=O)O)CCCN1 OR8903 [1,1,0,0,0,0|0,0,0]=2 116 B9R1.163 N[C@]1(C(=O)O)CCNC1 OR15987 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.82 COC(=O)C1CC(=O)C1 OR308086 [0,1,0,0,1,0|0,0,2]=4 118 B9R1.82 COC(=O)N1CC(O)C1 OR52278 [0,1,0,0,1,0|1,0,0]=3 119 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 OR317101 [0,1,0,0,1,0|0,0,0]=2 120 B9R1.152 CC1(C(=O)O)CC(=O)C1 OR317115 [0,1,0,0,1,0|0,0,2]=4 121 B9R1.164 CC1(C)CC(C(=O)O)C1 OR317125 [0,1,0,0,1,0|1,0,0]=3 122 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N OR40628 [0,1,0,0,1,0|2,0,0]=4 123 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 OR350367 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.22 COC(=O)C1CCC(O)CC1 OR27594 [0,1,0,0,0,1|1,0,0]=3 125 B11R1.22 COC(=O)N1CCC(O)CC1 OR303041 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 OR61067 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.15 CCOC(=O)[C@@H]1CC(C)CN1 OR61345 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 OR46133 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.6 O=C(O)C1CCCCC1 OR40331 [0,0,1,1,0,0|2,0,0]=4 130 B9R1.6 O=C(O)C1CCCCN1 OR6924 [0,0,1,1,0,0|1,0,0]=3 131 B9R1.6 O=C(O)C1CCCNC1 OR8589 [0,0,1,1,0,0|2,0,0]=4 132 B9R1.6 O=C(O)C1CCCOC1 OR70150 [0,0,1,1,0,0|1,0,0]=3 133 B9R1.6 O=C(O)C1CNCCN1 OR0237 [0,0,1,1,0,0|1,0,0]=3 134 B9R1.6 O=C(O)C1CNCCN1 OR4574 [0,0,1,1,0,0|1,0,0]=3 135 B9R1.6 O=C(O)C1CNCCO1 OR308153 [0,0,1,1,0,0|2,0,0]=4 136 B9R1.6 O=C(O)C1CNCCO1 OR350283 [0,0,1,1,0,0|2,0,0]=4 137 B9R1.6 O=C(O)C1CSCCN1 OR6324 [0,0,1,1,0,0|0,1,0]=3 138 B9R1.6 O=C(O)[C@@H]1CCCNC1 OR8967 [0,0,1,1,0,0|2,0,0]=4 139 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR15638 [0,0,1,1,0,0|1,0,0]=3 140 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR40310 [0,0,1,1,0,0|1,0,0]=3 141 B9R1.6 O=C(O)[C@@H]1CNCCO1 OR308154 [0,0,1,1,0,0|2,0,0]=4 142 B9R1.6 O=C(O)[C@@H]1COCCN1 OR52358 [0,0,1,1,0,0|0,0,0]=2 143 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [0,0,1,1,0,0|1,0,0]=3 144 B9R1.6 O=C(O)[C@H]1CCCNC1 OR8968 [0,0,1,1,0,0|2,0,0]=4 145 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15637 [0,0,1,1,0,0|1,0,0]=3 146 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15639 [0,0,1,1,0,0|1,0,0]=3 147 B9R1.6 O=C(O)[C@H]1CNCCO1 OR308155 [0,0,1,1,0,0|2,0,0]=4 148 B9R1.6 O=C(O)[C@H]1COCCN1 OR52357 [0,0,1,1,0,0|0,0,0]=2 149 B9R2.145 O=C(O)C12CC(C1)C2 OR312074 [0,0,0,1,1,0|1,0,0]=3 150 B11R2.1839 O=C(O)C12CCC(CC1)C2 OR22825 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.845 O=C(O)C1CC2CCC1C2 OR22442 [0,0,0,1,0,1|2,0,0]=4 152 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,0,1,0,1,0|1,0,0]=3 153 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,0,1,0,1,0|2,0,0]=4 154 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,0,1,0,1,0|2,0,0]=4 155 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,0,1,0,1,0|0,0,0]=2 156 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,0,1,0,1,0|0,0,0]=2 157 B7R1.10 NCC1CC(O)C1 OR317061 [1,0,0,0,1,0|1,0,1]=4 158 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [1,0,0,0,1,0|1,0,1]=4 159 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [1,0,0,0,1,0|1,0,1]=4 160 B7R1.10 N[C@H]1C[C@@H](CO)C1 OR308093 [1,0,0,0,1,0|1,0,1]=4 161 B7R1.10 OCC1CC(Cl)C1 OR54434 [1,0,0,0,1,0|1,0,1]=4 162 B7R1.18 N=C(N)C1CCC1 OR46519 [1,0,0,0,1,0|2,0,0]=4 163 B7R1.18 NC(=O)C1CNC1 OR308017 [1,0,0,0,1,0|2,0,0]=4 164 B7R1.18 NC(=O)C1CNC1 OR317162 [1,0,0,0,1,0|2,0,0]=4 165 B7R1.18 O=C(Cl)C1CCC1 OR28716 [1,0,0,0,1,0|1,0,0]=3 166 B7R1.18 O=C(O)C1CCC1 OR8888 [1,0,0,0,1,0|0,0,0]=2 167 B7R1.18 O=C(O)C1CNC1 OR0961 [1,0,0,0,1,0|1,0,0]=3 168 B7R1.18 O=C(O)C1COC1 OR309073 [1,0,0,0,1,0|1,0,0]=3 169 B7R1.18 O=C(O)C1CSC1 OR312065 [1,0,0,0,1,0|1,0,0]=3 170 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [1,0,0,0,1,0|0,0,0]=2 171 B7R1.18 OB(O)C1CCC1 OR60086 [1,0,0,0,1,0|1,0,1]=4 172 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,0,0,0,2,0|1,0,0]=3 173 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,0,0,0,2,0|1,0,0]=3 174 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,0,0,0,2,0|1,0,0]=3 175 B9R1.13 O=C(Cl)OC1CCCC1 OR0322 [1,0,0,0,0,1|2,0,0]=4 176 B9R1.13 O=C(O)CC1CCCC1 OR6624 [1,0,0,0,0,1|1,0,0]=3 177 B9R1.13 O=C(O)CC1CCNC1 OR70020 [1,0,0,0,0,1|2,0,0]=4 178 B9R1.13 O=C(O)CN1CCCC1 OR5655 [1,0,0,0,0,1|2,0,0]=4