0 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.8 C=CCOC(=O)C(=C)C AMY4149 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 C=CCOC(=O)C(=O)Cl AMY22116 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.8 CSCC[C@H](N)C(=O)O AM20100433 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 CSCC[C@H](N)C(=O)O AM20100552 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 CSCC[C@H](N)C(=O)O AM81977 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 C[Se]CC[C@H](N)C(=O)O AMY18854 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 C=CC(=O)NCCC AMY39214 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.3 C=CC(=O)NCCN AMY1138 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CCCCC(=O)NN AMY3964 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.3 CCCOC(=O)CC AMY21939 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.3 CNCCC(=O)OC AMY4326 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 COC(=O)CCC=O AM20080287 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 COC(=O)CCCN AM803145 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 COC(=O)CCCS AMY40461 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CC(=O)CCCCCl AM90172 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.4 CC(=O)NCCCN AMY36360 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,0,0,0,0,0|0,0,3]=4 32 B7R0.4 CCCCC[C@H](C)N AMY3809 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 CCCCOC(C)=O AMY11075 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.4 CCCOCC(=O)O AMY4018 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CCO\C=C\C(=O)O AMY9262 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CNCCCC(=O)O AMY5046 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CNCCOC(C)=O AMY15057 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 NCCCCC(=O)O AM82459 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 NCCCCC(=O)O AMY39227 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 O=C(O)CCCCBr AM85660 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 O=C(O)CCCCCl AMY40897 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C=C(Br)C(=O)OCC AM85811 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 CCCC(=O)C(=O)O AMY6081 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 CCOC(=O)C(C)=O AMY40824 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 CCOC(=O)C(N)=O AM20100509 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.5 CCOC(=O)N(C)C AMY39284 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.7 O=C(O)CCC(=O)C(=O)O AM20090486 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.8 CCCCC(=O)N(C)OC AM90039 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.8 CCCC[C@H](Br)C(=O)OC AMY21797 [0,1,0,0,0,0|1,0,1]=3 62 B9R0.8 CCCC[C@H](N)C(=O)OC AM82593 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.8 COC(=O)[C@@H](Br)CCCBr AMY17784 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.8 COC(=O)[C@@H](N)CCCN AM20100070 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.13 CCCC[C@H](CC)C(=O)O AM9656 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.13 CCCC[C@H](CC)C(=O)O AM9657 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.13 CCCC[C@H](NC)C(=O)O AM9198 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.42 COC(=O)CC(=O)C(=O)O AM806672 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.47 C=C(C)C(=O)NCCCN AM807272 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.47 C=C(C)C(=O)OCCCC AMY4150 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.47 C=C(C)C(=O)OCCCO AMY18806 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.47 CCCCC[C@H](C)C(=O)O AMY25539 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100333 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100376 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100661 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100662 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.47 NCCCC[C@H](N)C(=O)O AM20100696 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.47 NCCCC[C@H](N)C(=O)O AM81900 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.47 NCCCC[C@H](N)C(=O)O AM81901 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.47 NCCCC[C@H](N)C(=O)O AM81902 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.47 NCCCC[C@H](N)C(=O)O AMY25343 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.5 CN1CCCNCC1=O AM20100475 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.5 CN1CCCNCC1=O AMY15722 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,0,0,1,0,0|1,0,1]=3 88 B9R1.6 CC(=O)C1CCNCC1 AM20090433 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.6 CC(=O)C1CCNCC1 AMY40616 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.6 CC(=O)C1CCOCC1 AM803183 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 CC(=O)N1CCNCC1 AM20080291 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.6 CC(=O)N1CCOCC1 AMY10034 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,0,0,1,0,0|1,0,1]=3 94 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.6 CC(C)=C1CCOCC1 AMY6092 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.6 O=C(O)C1=CCCNC1 AMY32578 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.6 O=C(O)C1=CCNCC1 AMY32016 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,0,0,1,0,0|1,0,2]=4 107 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,0,0,1,0,0|1,0,2]=4 108 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.23 CN1C[C@@H](CN)CC1=O AMY33766 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.23 CN1C[C@@H](CO)CC1=O AMY34896 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM95037 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96640 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96910 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM91958 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM95359 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM96637 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM93701 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96019 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96646 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM101330 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90401 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90424 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.100 CCCNC(=O)C1CC1 AMY790 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.110 CC(=O)N(C)C1CNC1 AMY34223 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.110 CN(C)C(=O)C1CNC1 AMY35387 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.163 NC(=O)C1(N)CCCC1 AM20090025 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.163 NC1(C(=O)O)CCCC1 AM20100281 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.163 O=C(O)C1(O)CCCC1 AMY40976 [0,0,0,1,0,0|1,0,2]=4 134 B9R0.4 CC(=O)CC(=O)CCC#N AMY9073 [0,0,0,0,0,1|1,0,1]=3 135 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,0,0,0,0,1|1,0,1]=3 136 B6R0.1 C=CC(=O)NCC AMY36703 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.1 C=CC(=O)OCC AMY40211 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.1 CCNC(=O)NC AM85700 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.1 CCOC(=O)CC AMY21941 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.1 CCOC(=O)NC AMY3767 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.1 CC\C=C(/C)C=O AMY2564 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.1 CNCC(=O)OC AM82645 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.1 COC(=O)CCBr AMY21872 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.1 COC(=O)CCN AM20090461 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.1 COC(=O)CCO AM85845 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.1 COC(=O)CSC AMY10908 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.1 COCC(=O)OC AMY4063 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 CC(=O)NCCN AMY40665 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.4 CCCCN(C)C AMY25818 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CCCOC(=O)Cl AMY3779 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CCOCC(=O)O AMY4062 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.4 CCSCC(=O)O AM20100532 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.4 CNCCC(=O)O AM84855 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.4 COCCC(=O)O AMY2689 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.4 NCCCC(=O)O AM20100372 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.4 NCCCC(N)=O AMY15220 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 O=C(Cl)CCCCl AMY25684 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 O=C(O)CCCS AM20080221 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.6 CCCCCCC AMY22304 [2,0,0,0,0,0|0,0,2]=4 162 B6R0.6 CCCCNCC AMY3985 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.6 CCCCON=O AMY4016 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.6 C\C=C\CCCO AMY2616 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.6 O=CCCCCCl AMY772 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.3 CC(=O)C(=O)CBr AMY23002 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.3 CC(=O)C(=O)CCl AMY42031 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 CCC(=O)C(=O)O AM90224 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 CCC(=O)C(C)=O AMY4046 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.3 CCC(=O)N(C)C AMY38676 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.3 CCN(O)C(C)=O AMY33549 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.3 COC(=O)C(C)=O AMY40825 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.3 O=C(O)C(=O)CBr AM84337 [2,0,0,0,0,0|2,0,0]=4 177 B8R0.1 CCOC(=O)CCCBr AM84904 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.1 CCOC(=O)CCCN AM808169 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.1 CCOC(=O)CCCO AMY4323 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.1 CCOCC(=O)OCC AMY4116 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [1,1,0,0,0,0|1,0,0]=3 182 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.6 CCCCNC(=O)CCl AM20100314 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.6 CCNCCC(=O)OC AMY20543 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.6 COC(=O)CCCCBr AM20120637 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.9 COC(=O)CCN(C)C AM807052 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [1,1,0,0,0,0|0,0,2]=4 189 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.7 CC(=O)CCCCCBr AMY24068 [1,1,0,0,0,0|0,0,1]=3 192 B8R0.7 CC(=O)OCCCC=O AM10056 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.7 CCCCCCC(=O)O AMY41347 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.7 NCCCCCC(=O)O AM82438 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.7 NCCCCCC(=O)O AMY977 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.7 O=C(O)CCCCCBr AM20100119 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.7 O=C(O)CCCCCO AM10824 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.21 CCCCOS(C)(=O)=O AMY3886 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [1,1,0,0,0,0|0,0,2]=4 201 B8R0.2 CON(C)C(=O)C(C)=O AMY7760 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.23 C=C(C)C(=O)NC(C)C AM20080280 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [1,1,0,0,0,0|1,0,0]=3 205 B8R0.23 CC(C)NC(=O)C(=O)O AMY10255 [1,1,0,0,0,0|2,0,0]=4 206 B10R0.6 COCCOC(=O)CC(C)=O AMY25617 [0,1,0,0,0,1|1,0,0]=3 207 B10R0.32 CCOC(=O)C(=O)CC(C)=O AM85846 [0,1,0,0,0,1|1,0,1]=4 208 B10R0.44 COC(=O)CC(=O)CC(C)=O AMY17189 [0,1,0,0,0,1|1,0,1]=4 209 B10R0.96 CC(=O)CC(=O)CCC(=O)O AMY13893 [0,1,0,0,0,1|1,0,1]=4 210 B10R0.19 CCCCC(=O)C(=O)OCC AM85828 [0,2,0,0,0,0|0,0,0]=2 211 B10R0.19 CCCCC(=O)[C@@H](C)CCC AMY19310 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.83 CCCCOC(=O)[C@@H](O)CC AMY32055 [0,2,0,0,0,0|0,0,2]=4 213 B10R0.83 COC(=O)[C@@H](N)CCCCN AM81966 [0,2,0,0,0,0|1,0,1]=4 214 B10R0.85 CCCC[C@H](NC)C(=O)OC AM9450 [0,2,0,0,0,0|1,0,1]=4 215 B10R0.124 CCCCC(F)(F)C(=O)OC AMY37058 [0,2,0,0,0,0|1,0,1]=4 216 B10R0.67 C=C(C)C(=O)NC(O)(O)CC AMY18877 [0,2,0,0,0,0|2,0,0]=4 217 B10R0.75 C=C(C)C(=O)OCCCCO AMY18807 [0,2,0,0,0,0|1,0,0]=3 218 B10R0.98 C=C(C)C(=O)OCCN(C)C AM84885 [0,2,0,0,0,0|2,0,0]=4 219 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.2 CC=C1CCOCC1 AMY6099 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.2 O=CC1=CCCCC1 AMY18835 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.2 O=CC1=CCCOC1 AM803164 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.2 O=CC1CCCCC1 AM83285 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.2 O=CN1CCCCC1 AMY3400 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.3 CC1CCC(=O)CC1 AMY17977 [1,0,0,1,0,0|0,0,1]=3 232 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.3 CN1CCC(=O)CC1 AM20080337 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [1,0,0,1,0,0|0,0,1]=3 235 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.3 NC1CCC(=O)CC1 AM101128 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.3 NC1CCC(=O)CC1 AMY42375 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.3 O=C1CCC(F)CC1 AM20070506 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.3 O=C1CCC(O)CC1 AMY17986 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 CN1CCNCC1=O AM20100457 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 CN1CCNCC1=O AMY39473 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [1,0,0,1,0,0|0,0,1]=3 247 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.5 C[C@H]1COCCC1=O AM91072 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 O=C1CCCCC1=O AM20070526 [1,0,0,1,0,0|0,0,0]=2 252 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.22 O=C1CCCCCC1 AMY3995 [1,0,0,1,0,0|0,0,1]=3 255 B8R1.22 O=C1CCCCCN1 AM802872 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.22 O=C1CCCNCC1 AM20100232 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.22 O=C1CCNCCN1 AM20090172 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.22 O=C1CCNCCN1 AM85736 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.22 O=C1CNCCCN1 AM804637 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.38 CNC(=O)C1CCC1 AMY32244 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.38 COC(=O)C1CCC1 AM20070621 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.38 COC(=O)C1CNC1 AM20070638 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.38 COC(=O)C1CNC1 AMY4957 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.38 NNC(=O)C1CCC1 AM20070630 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.40 COC(=O)CC1CC1 AMY34208 [1,0,0,1,0,0|1,0,0]=3 269 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 CN1CCCC(=O)C1 AM20100357 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.4 CN1CCNC(=O)C1 AMY22966 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.7 CC(=O)C1CCCC1 AMY7477 [1,0,0,1,0,0|0,0,1]=3 285 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.7 O=C(O)C1CCCC1 AM83283 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.31 CC1CCC1C(=O)O AM807028 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.34 CC(=O)C=C1COC1 AMY5443 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.34 CC(=O)NC1CNC1 AMY34221 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [1,0,0,1,0,0|1,0,1]=4 293 B8R1.34 O=C(O)CC1CCC1 AM807029 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.35 O=C(O)CCC1CC1 AM8844 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.35 O=C(O)\C=C\C1CC1 AMY34843 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.54 C[C@H](Br)C(=O)C1CC1 AMY34721 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [1,0,0,1,0,0|1,0,0]=3 299 B10R1.61 CC(=O)[C@@H]1CCCCC1=O AM9964 [0,0,0,1,0,1|0,0,0]=2 300 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AM100937 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AM100938 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AM101290 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AMY35393 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 AMY34374 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.301 C[C@H]1CCCC(C)(C)C1=O AMY38174 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.13 CC(=O)N1CCC(Br)CC1 AM805978 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.13 CC(=O)N1CCC(Cl)CC1 AM100493 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.13 CC(=O)N1CCC(I)CC1 AM91857 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.13 CC(=O)N1CCC(N)CC1 AMY6029 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.13 CC(=O)N1CCC(N)CC1 AMY6033 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.13 CC(=O)N1CCC(O)CC1 AM100786 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.147 CC1(C)C=C(I)C(=O)CC1 AMY1166 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.7 O=C1NCCCCC[C@@H]1Cl AMY2428 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.15 COC(=O)C1=CCCCC1 AMY17812 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.15 COC(=O)C1=CCCCO1 AMY25041 [0,1,0,1,0,0|0,0,2]=4 316 B10R1.15 COC(=O)C1=CCCNC1 AMY32022 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.15 COC(=O)C1=CCOCC1 AM20080005 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090087 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090088 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090475 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20100112 [0,1,0,1,0,0|1,0,1]=4 322 B10R1.15 COC(=O)[C@@H]1CCCCO1 AMY20577 [0,1,0,1,0,0|0,0,2]=4 323 B10R1.15 NCC(=O)N1CCCCC1 AMY24711 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.182 CON(C)C(=O)C1CCC1 AMY32253 [0,1,0,1,0,0|1,0,1]=4 325 B10R1.411 COC(=O)C1(N)CCCC1 AM20100472 [0,1,0,1,0,0|1,0,1]=4 326 B10R1.31 CC(=O)N1CC[C@H](CBr)C1 AM93694 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.31 CC(=O)N1CC[C@H](CCl)C1 AM91228 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.31 CC(=O)N1CC[C@H](CI)C1 AM93455 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.31 CC(=O)N1CC[C@H](CN)C1 AM91433 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.31 CC(=O)N1CC[C@H](CO)C1 AM100447 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM101389 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM95387 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM96238 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM92486 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM95604 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM96012 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM90493 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM95451 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM95460 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM93705 [0,1,0,1,0,0|2,0,0]=4 341 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM95228 [0,1,0,1,0,0|2,0,0]=4 342 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM96713 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM10596 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM90443 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM90827 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM91116 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM101202 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM90672 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 AM100658 [0,1,0,1,0,0|2,0,0]=4 350 B10R2.178 O=C1CCC2CCC1C2 AM20070492 [0,0,0,2,0,0|1,0,1]=4