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CC(=O)N1CC[C@H](Br)C1 AM95037 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96640 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96910 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM91958 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM95359 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM96637 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM93701 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96019 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96646 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM101330 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90401 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90424 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 CC(C)N1CC[C@H](N)C1 AMY41753 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 N=C(N)N1CC[C@H](O)C1 AMY25963 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.49 CN1CCC[C@H](N)CC1 AM20120348 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.66 CC1(C)C[C@@H](O)CCN1 AM806685 [0,0,0,1,0,0|1,0,1]=3 38 B9R1.66 CC1(C)C[C@@H](O)CCO1 AMY9124 [0,0,0,1,0,0|1,0,1]=3 39 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,0,0,1,0,0|2,0,0]=3 40 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,1,0|2,0,1]=4 41 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,1,0|1,0,2]=4 42 B7R0.6 CC(C)CCB(O)O AM90168 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,0,0,0,1,0|1,0,1]=3 45 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.6 CN(C)CCN(C)C AMY11857 [0,0,0,0,1,0|3,0,0]=4 47 B7R0.6 CN(C)CCN(C)C AMY5730 [0,0,0,0,1,0|3,0,0]=4 48 B9R0.55 CC(C)NCCNC(C)C AMY13338 [0,0,0,0,0,1|2,0,1]=4 49 B6R0.4 C=CCCC(=O)O AMY12553 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 CC(C)CCCO AMY39142 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CCCCN(C)C AMY25818 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 CN(C)CCCCl AM84336 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CN(C)CCCCl AM90218 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 CNCCC(C)C AMY37348 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 CNCCC(C)C AMY37370 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 CNCCN(C)C AMY10373 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 C=CCCCCO AM20100796 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.6 CCCCCCC AMY22304 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.6 CCCCNCC AMY3985 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCOCCCO AM20080058 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 COCCCCO AM20080057 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 C\C=C\CCCO AMY2616 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.6 CCCCNC(=O)CCl AM20100314 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 CC(=O)CCCCCBr AMY24068 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.7 CC(C)CCCCCBr AM806997 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.7 CC(C)NCCCCO AMY10379 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.7 CN(C)CCCCCN AMY37685 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.21 CC(C)(C)NCCCO AMY19355 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.29 CN(C)CCC(C)(C)N AMY19080 [0,1,0,0,1,0|2,0,0]=4 78 B8R0.29 C[C@H](O)CNC(C)(C)C AMY19356 [0,1,0,0,1,0|1,0,1]=4 79 B10R0.3 CC(C)=CCC\C(C)=C\CBr AMY42104 [0,2,0,0,0,0|1,0,1]=4 80 B8R1.1 CC1CC(CO)CN1 AM806518 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.1 CN1CC[C@@H](CO)C1 AMY4400 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.1 CN1CC[C@H](CO)C1 AM803966 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 CC1CC(O)CCO1 AMY6006 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.7 CC(=O)C1CCCC1 AMY7477 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.7 CC(O)C1CCNC1 AM806379 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.7 CC(O)C1CCNC1 AM806521 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.7 O=C(O)C1CC=CC1 AM20100760 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.22 O=C1CCCCCC1 AMY3995 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.22 O=C1CCCCCN1 AM802872 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.22 O[C@H]1CCCNCC1 AM802973 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.72 CC1(O)CCCCC1 AMY25717 [1,0,0,1,0,0|0,0,2]=4 101 B8R1.72 CC1(O)CCNCC1 AM100764 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.72 CC1(O)CCNCC1 AM804091 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.72 CC1(O)CCOCC1 AMY23045 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,1,0|2,0,0]=4 106 B8R1.3 CC1CCC(N)CC1 AM804167 [0,0,0,1,1,0|1,0,1]=4 107 B8R1.3 CN1CCC(Br)CC1 AMY41829 [0,0,0,1,1,0|2,0,0]=4 108 B8R1.3 CN1CCC(Cl)CC1 AMY40670 [0,0,0,1,1,0|2,0,0]=4 109 B8R1.3 CN1CCC(I)CC1 AM100725 [0,0,0,1,1,0|2,0,0]=4 110 B8R1.3 CN1CCC(N)CC1 AM20100109 [0,0,0,1,1,0|2,0,0]=4 111 B8R1.3 CN1CCC(O)CC1 AM802881 [0,0,0,1,1,0|1,0,0]=3 112 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,0,0,1,1,0|1,0,0]=3 113 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,0,0,1,1,0|1,0,1]=4 114 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,0,0,1,1,0|1,0,1]=4 115 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,0,0,1,1,0|1,0,1]=4 116 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,0,0,1,1,0|1,0,1]=4 117 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,0,0,1,1,0|0,0,1]=3 118 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,0,0,1,1,0|1,0,1]=4 119 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,0,0,1,1,0|1,0,1]=4 120 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,0,0,1,1,0|1,0,1]=4 121 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,0,0,1,1,0|1,0,1]=4 122 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,0,0,1,1,0|2,0,0]=4 123 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,0,0,1,1,0|2,0,0]=4 124 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,0,0,1,1,0|1,0,1]=4 125 B8R1.3 NN1CCC(O)CC1 AMY16127 [0,0,0,1,1,0|2,0,0]=4 126 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,0,0,1,1,0|1,0,1]=4 127 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,0,0,1,1,0|1,0,1]=4 128 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,0,0,1,1,0|1,0,1]=4 129 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,0,0,1,1,0|1,0,1]=4 130 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,0,0,1,1,0|2,0,0]=4 131 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,1,1,0|1,0,0]=3 132 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,1,1,0|2,0,0]=4 133 B8R1.23 CC(=O)N1CC(O)C1 AMY4420 [0,0,0,1,1,0|2,0,0]=4 134 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [0,0,0,1,1,0|2,0,0]=4 135 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [0,0,0,1,1,0|2,0,0]=4 136 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [0,0,0,1,1,0|2,0,0]=4 137 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,0,0,1,1,0|2,0,0]=4 138 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM101202 [0,0,0,1,0,1|1,0,1]=4 139 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM90672 [0,0,0,1,0,1|1,0,1]=4 140 B10R1.13 CC(=O)N1CCC(O)CC1 AM100786 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 AMY10950 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.13 CC(C)N1CCC(O)CC1 AM85343 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 AMY22322 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.13 CN(C)C1CCC(O)CC1 AM10850 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.31 CC(=O)N1CC[C@H](CO)C1 AM100447 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.171 CC1(C)C[C@@H](CO)CCO1 AMY202003235 [0,1,0,1,0,0|1,0,1]=4 147 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,2,0|0,0,2]=4 148 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,2,0|2,0,0]=4 149 B6R0.2 CC(C)=CB(O)O AMY021 [0,0,0,0,2,0|2,0,0]=4 150 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,0,0,0,2,0|1,0,1]=4 151 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,2,0|2,0,0]=4 152 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,2,0|2,0,0]=4 153 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,2,0|2,0,0]=4 154 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,0,0,0,2,0|1,0,0]=3 155 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,0,0,0,2,0|2,0,0]=4 156 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,2,0|2,0,0]=4 157 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,2,0|2,0,0]=4 158 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,2,0|2,0,0]=4 159 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,2,0|2,0,0]=4 160 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,2,0|2,0,0]=4 161 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,0,0,0,2,0|1,0,0]=3