0 B7R0.3 C=CC(=O)NCCC AMY39214 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCCC(=O)NN AMY3964 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 CCCOC(=O)CC AMY21939 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CNCCC(=O)OC AMY4326 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.3 COC(=O)CCC=O AM20080287 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=O)CCCN AM803145 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 COC(=O)CCCS AMY40461 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)\C=C\C#N AMY6967 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,0,0,0,0,0|0,1,2]=3 10 B7R0.3 CSCC[C@H](N)C#N AMY32618 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.1 C#CC(=O)OCC AM20100525 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 C=CC(=O)NCC AMY36703 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 C=CC(=O)OCC AMY40211 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CC#CC(=O)OC AMY1234 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.1 CCC(=O)CC#N AMY10591 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCNC(=O)CCl AM802871 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CCNC(=O)NC AM85700 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CBr AM20070701 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CCOC(=O)CC AMY21941 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCOC(=O)CN AM81786 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CCOC(=O)NC AMY3767 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCOC(=O)NN AMY23328 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CNC(=O)CC#N AM20100565 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CNCC(=O)OC AM82645 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.1 COC(=O)CCBr AMY21872 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 COC(=O)CCN AM20090461 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 COC(=O)CCO AM85845 [1,0,0,0,0,0|0,1,0]=2 29 B6R0.1 COC(=O)CSC AMY10908 [1,0,0,0,0,0|0,0,0]=1 30 B6R0.1 COC(=O)OCCl AMY37648 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 COC(=O)\C=C\I AMY21721 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 COCC(=O)NN AMY3068 [1,0,0,0,0,0|2,1,0]=4 33 B6R0.1 COCC(=O)OC AMY4063 [1,0,0,0,0,0|0,1,0]=2 34 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.1 O=C(CCl)CCCl AM9592 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 C#CCOC(C)=O AM90264 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 C=CCCC(=O)Cl AMY808 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 C=CCCC(=O)O AMY12553 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 C=CCCC(C)=O AM84335 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 C=CCOC(C)=O AMY22115 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 C=CNCC(=O)O AMY22733 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CC(=O)NCCN AMY40665 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 CCCCC(=O)[O-] AMY026 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.4 CCCCN(C)C AMY25818 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CCCOC(=O)Cl AMY3779 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CCOCC(=O)O AMY4062 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 CCSCC(=O)O AM20100532 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CNCCC(=O)O AM84855 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 CNCCC(C)C AMY37348 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CNCCC(C)C AMY37370 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CNCCN(C)C AMY10373 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 COCCC(=O)O AMY2689 [1,0,0,0,0,0|0,1,0]=2 53 B6R0.4 NCCCC(=O)O AM20100372 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 NCCCC(N)=O AMY15220 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 O=C(O)CCCS AM20080221 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 CCCCNCC AMY3985 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 COCCCCBr AMY9376 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 COCCCCO AM20080057 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 C\C=C\CCCO AMY2616 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.1 CCOC(=O)CCCBr AM84904 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.1 CCOC(=O)CCCN AM808169 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.1 CCOC(=O)CCCO AMY4323 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.1 CCOC(=O)CN=C=O AMY3222 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.1 CCOC(=O)CNC=O AM20090452 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.1 CCOCC(=O)OCC AMY4116 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.6 CCNCCC(=O)OC AMY20543 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.6 COC(=O)CCCCBr AM20120637 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.6 COC(=O)CCN=C=O AMY6679 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,1,0,0,0,0|2,1,0]=4 78 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.9 COC(=O)CCN(C)C AM807052 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,1,0,0,0,0|0,1,1]=3 90 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,1,0,0,0,0|0,1,1]=3 91 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.2 CC=C1CCOCC1 AMY6099 [0,0,0,1,0,0|2,1,0]=4 101 B8R1.2 COC1=CCOCC1 AMY33855 [0,0,0,1,0,0|1,1,0]=3 102 B8R1.2 COC1CCNCC1 AM20100080 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 COC1CCNCC1 AM9912 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 ON=C1CCSCC1 AMY10286 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.5 CN1CCNCC1=O AM20100457 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.5 CN1CCNCC1=O AMY39473 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,1,0,0|1,1,0]=3 126 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.5 O=C1CCCCC1=O AM20070526 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,0,0,1,0,0|2,1,0]=4 134 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,0,0,1,0,0|2,1,0]=4 135 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.38 CNC(=O)C1CCC1 AMY32244 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.38 NNC(=O)C1CCC1 AM20070630 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.47 CN[C@H]1C[C@@H](OC)C1 AM807030 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,0,0,1,0,0|3,0,0]=4 154 B5R0.1 C#CCC(=O)O AMY19285 [2,0,0,0,0,0|0,0,2]=4 155 B5R0.1 C=C(C)CCBr AMY7022 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.1 C=CCC(C)=O AMY31929 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.1 CC#CC(=O)O AM90222 [2,0,0,0,0,0|0,0,2]=4 158 B5R0.1 CC(=O)CC#N AM86800 [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 CC(=O)CC#N AMY7035 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.1 CC(=O)CCO AMY31061 [2,0,0,0,0,0|0,1,0]=3 161 B5R0.1 CC(=O)OCCl AMY28690 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 CCCB(O)O AMY987 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 CCCC(=N)N AM802888 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.1 CCCC(=N)N AMY2389 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 CCCC(C)=O AMY25524 [2,0,0,0,0,0|0,0,0]=2 166 B5R0.1 CCC[C@H](C)N AMY12548 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.1 CCOC(C)=N AM90190 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 CCOC(N)=O AM20100253 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 CCSC(C)=S AM90236 [2,0,0,0,0,0|1,1,0]=4 170 B5R0.1 CNCC(=O)O AM20080021 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.1 CNCC(C)=O AM806508 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.1 CNCC(N)=O AM82642 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 COCC(=O)Cl AMY40728 [2,0,0,0,0,0|1,1,0]=4 174 B5R0.1 COCC(=O)O AMY4059 [2,0,0,0,0,0|0,1,0]=3 175 B5R0.1 CSCC(N)=O AMY10906 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 C\C=C\C(=O)O AMY11255 [2,0,0,0,0,0|0,0,2]=4 177 B5R0.1 C\C=C\C(C)=O AMY31928 [2,0,0,0,0,0|0,0,2]=4 178 B5R0.1 NCCC(=O)O AM20080020 [2,0,0,0,0,0|1,0,0]=3 179 B5R0.1 NCCC(=O)O AMY22128 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 NCCC(N)=O AM20100576 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 NCCC(N)=O AMY6958 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 NNCC(=O)O AMY202100023 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 NOCC(=O)O AMY19484 [2,0,0,0,0,0|1,1,0]=4 184 B5R0.1 O=C(Cl)CCBr AM90184 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 O=C(O)CCBr AM20100434 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.1 O=C(O)CCF AM803932 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 O=C(O)CCO AM85796 [2,0,0,0,0,0|0,1,0]=3 188 B5R0.1 O=C(O)CCS AMY27767 [2,0,0,0,0,0|0,0,0]=2 189 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.2 CNCCNC AM86300 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.2 COCCC#N AMY40960 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.2 COCCCBr AM20090592 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.2 COCCCCl AMY25654 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.2 COCCCN AMY21871 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.2 COCCCN AMY38449 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|0,1,1]=4 199 B5R0.2 COCCNN AM803665 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.2 COCCNN AMY202003278 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.2 COCCOC AMY25530 [2,0,0,0,0,0|0,1,0]=3 202 B5R0.2 COCCON AMY27642 [2,0,0,0,0,0|1,1,0]=4 203 B5R0.2 CSCCCCl AMY744 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 N#CCCC=O AMY9205 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 O=CCCC=O AMY18777 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.3 C#CC(=O)OC AMY7053 [2,0,0,0,0,0|0,0,2]=4 207 B5R0.3 CCC(=O)CC AMY11060 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.3 CCC(=O)OC AMY21940 [2,0,0,0,0,0|0,0,0]=2 209 B5R0.3 COC(=O)C=O AMY1633 [2,0,0,0,0,0|0,1,1]=4 210 B5R0.3 COC(=O)CF AM20100155 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.3 COC(=O)CN AM81785 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.3 COC(=O)OC AMY37165 [2,0,0,0,0,0|0,1,0]=3 213 B5R0.3 COS(=O)OC AMY18046 [2,0,0,0,0,0|1,1,0]=4 214 B7R0.2 CCC(=O)CC(C)=O AMY2701 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.2 COC(=O)CC(=O)Cl AM90205 [1,1,0,0,0,0|0,1,1]=4 216 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [1,1,0,0,0,0|0,1,1]=4 217 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [1,1,0,0,0,0|0,1,1]=4 218 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [1,1,0,0,0,0|0,0,0]=2 219 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [1,1,0,0,0,0|0,0,0]=2 221 B7R0.2 COC(=O)C[N+](=O)[O-] AM86803 [1,1,0,0,0,0|1,1,0]=4 222 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [1,1,0,0,0,0|0,0,2]=4 223 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.5 CCCC(=O)C(=O)O AMY6081 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.5 CCOC(=O)C(C)=O AMY40824 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.5 CCOC(=O)N(C)C AMY39284 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.7 C=C(OCC)OCC AM9861 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.7 C=CCC(=O)OCC AMY30553 [1,1,0,0,0,0|0,0,2]=4 234 B7R0.7 CC#CC(=O)OCC AM86969 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.7 CCNC(=O)NCC AMY25735 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.7 CCOC(=O)CC=O AMY18659 [1,1,0,0,0,0|0,1,1]=4 238 B7R0.7 CCOC(=O)CCN AM803889 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.7 CCOC(=O)CCO AMY20483 [1,1,0,0,0,0|0,1,0]=3 240 B7R0.7 CCOC(=O)CNC AM82644 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.7 CCOC(=O)CNC AMY3815 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.7 CCOC(=O)CNN AM20100649 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.7 CCOC(=O)COC AMY3969 [1,1,0,0,0,0|0,1,0]=3 244 B7R0.7 CCOC(=O)CSC AMY33462 [1,1,0,0,0,0|0,0,0]=2 245 B7R0.7 CCOC(=O)OCC AMY11101 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.7 CCOC(=O)OCCl AMY14438 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.7 CCOS(=O)OCC AMY17996 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.7 O=C(CCCl)CCCl AMY9352 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.10 C=C(CO)C(=O)OC AM20120617 [1,1,0,0,0,0|0,1,1]=4 253 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [1,1,0,0,0,0|1,1,0]=4 257 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.10 COC(=O)C(=O)CBr AMY30900 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.10 COC(=O)C(=O)OC AMY37133 [1,1,0,0,0,0|0,1,1]=4 261 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [1,1,0,0,0,0|0,1,0]=3 263 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [1,1,0,0,0,0|0,1,0]=3 264 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [1,1,0,0,0,0|0,1,0]=3 265 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [1,1,0,0,0,0|0,1,0]=3 266 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [1,1,0,0,0,0|0,1,0]=3 267 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [1,1,0,0,0,0|0,0,0]=2 268 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [1,1,0,0,0,0|0,0,0]=2 269 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [1,1,0,0,0,0|0,1,0]=3 270 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [1,1,0,0,0,0|0,1,0]=3 271 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [1,1,0,0,0,0|0,1,0]=3 274 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [1,1,0,0,0,0|0,1,0]=3 275 B7R0.11 CCCS(=O)(=O)OC AMY7723 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.4 C#CCCCC(=O)O AM81010 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.4 C=CCCCC(=O)O AMY759 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.4 C=CCNCC(=O)O AMY22559 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.4 CC(=O)NCCCN AMY36360 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.4 CNCCCC(=O)O AMY5046 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.4 CNCCOC(C)=O AMY15057 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.4 N#CCCCC(=O)O AMY16028 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 NCCCCC(=O)O AM82459 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.4 NCCCCC(=O)O AMY39227 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.4 O=C(O)CCCCBr AM85660 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.4 O=C(O)CCCCCl AMY40897 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.4 O=C(O)COCCCl AMY28725 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.6 CC(=O)CCC(=O)O AM20080171 [1,1,0,0,0,0|1,0,0]=3 295 B7R0.6 CC(=O)CCC(C)=O AMY25528 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.6 CC(=O)CNC(C)=O AMY32031 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.6 CC(=O)NCC(=O)O AM81782 [1,1,0,0,0,0|2,0,0]=4 298 B7R0.6 CC(=O)OCC(=O)O AMY3826 [1,1,0,0,0,0|2,0,0]=4 299 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.6 CC(C)OCC(=O)O AMY4704 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.6 CN(C)CCC(=O)O AM86616 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.5 CCOC(=O)CCCC=O AM85359 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.5 CCOC(=O)CCCCBr AM20080354 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.8 CCCCC(=O)N(C)OC AM90039 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.8 CCCC[C@H](Br)C(=O)OC AMY21797 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.8 CCCC[C@H](N)C(=O)OC AM82593 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.8 COC(=O)[C@@H](Br)CCCBr AMY17784 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.8 COC(=O)[C@@H](N)CCCN AM20100070 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.34 CCOC(=O)CC(=O)NC AM85887 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.34 COCC(=O)CC(=O)OC AMY38262 [0,2,0,0,0,0|0,1,0]=3 315 B9R0.35 C=CC[C@H](C)C(=O)OCC AMY40441 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.48 CCOC(=O)CC[N+](=O)[O-] AM20090569 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.48 CCOC(=O)CNC(C)=O AM20090112 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.12 C=CC[C@H](NC)C(=O)OC AM9106 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.12 CCC[C@H](NC)C(=O)OC AM9126 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.23 CCC(=O)[C@@H](C)CN(C)C AMY20705 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.23 COC(=O)C(=O)CC(C)=O AMY3225 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AMY31364 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM20100563 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM20100730 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.23 COC(=O)[C@@H](N)CC(C)C AM81877 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.23 COC(=O)[C@@H](N)CC(N)=O AM81563 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.27 CCC(=O)[C@H](F)C(=O)OC AM62556 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC AM81854 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC AMY13603 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.27 COC(=O)C(Br)C(=O)OC AM81029 [0,2,0,0,0,0|0,1,1]=4 332 B9R0.27 COC(=O)C(F)C(=O)OC AMY6801 [0,2,0,0,0,0|0,1,1]=4 333 B9R0.27 COC(=O)C(N)C(=O)OC AMY15717 [0,2,0,0,0,0|0,1,1]=4 334 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr AMY19632 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.1 COC(=O)CCCC(=O)O AM84460 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.24 CCC(=O)CCC(=O)CC AMY42063 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.24 CCC(=O)CCC(=O)OC AMY30255 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.46 COC(=O)CCCCC=O AM85868 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.46 COC(=O)CCCCCBr AMY17985 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.46 COC(=O)CCCCCN AM20090125 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.47 C=C(C)C(=O)OCCCC AMY4150 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.13 CN[C@@H](CCSC)C(=O)O AM9321 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.42 COC(=O)C[C@H](N)C(=O)O AM20090012 [0,2,0,0,0,0|2,0,0]=4 344 B9R0.42 COC(=O)C[C@H](N)C(=O)O AM20090073 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl AMY19912 [0,2,0,0,0,0|2,0,0]=4 346 B9R0.21 COC(=O)CCC(F)(F)F AMY6803 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.21 COC(=O)CCS(N)(=O)=O AMY32109 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.21 COC(=O)CC[B-](F)(F)F AMY988 [0,2,0,0,0,0|2,0,0]=4 349 B9R0.26 COC(=O)CC(OC)OC AMY7037 [0,2,0,0,0,0|0,1,0]=3 350 B7R1.1 COC1=NCCN1 AMY792 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,0,0,1,0,0|1,1,0]=4 363 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [1,0,0,1,0,0|1,1,0]=4 364 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [1,0,0,1,0,0|1,1,0]=4 365 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [1,0,0,1,0,0|1,1,0]=4 366 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [1,0,0,1,0,0|0,1,0]=3 367 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|1,1,0]=4 375 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.3 O=C1CCNCC1 AM100807 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.3 O=C1CCNCC1 AM20100060 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 O=C1CCNCC1 AM803879 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|1,1,0]=4 380 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.3 O=C1CNCCN1 AM20100386 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.3 O=C1COCCN1 AM20080044 [1,0,0,1,0,0|1,1,0]=4 384 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.3 O=C1NCCCN1 AM90187 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.4 CN1CCCC1=O AM20110252 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.4 NN1CCCC1=O AM84704 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.4 O=C1CCCC1=O AMY23435 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.22 CCC(=O)C1CC1 AMY12334 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.22 COC(=O)C1CC1 AM20090368 [1,0,0,1,0,0|0,0,0]=2 396 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [1,0,0,1,0,0|0,1,0]=3 398 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [1,0,0,1,0,0|0,1,0]=3 399 B7R1.22 NNC(=O)C1CC1 AM20100651 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.22 O=C(CBr)C1CC1 AM87146 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.22 O=CC(=O)C1CC1 AM87069 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.12 CC1CC1C(=O)O AM803649 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.12 CC1CC1C(N)=O AMY5644 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.12 O=C(O)C1CC1F AMY5778 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.18 NC(=O)C1CCC1 AMY32785 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.18 NC(=O)C1CNC1 AM20100716 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.18 NC(=O)C1CNC1 AMY34027 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.18 O=C(O)C1CCC1 AM62800 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.18 O=C(O)C1CNC1 AM20090582 [1,0,0,1,0,0|1,0,0]=3 416 B7R1.18 O=C(O)C1CNC1 AMY4825 [1,0,0,1,0,0|1,0,0]=3 417 B7R1.18 O=C(O)C1COC1 AM84264 [1,0,0,1,0,0|0,1,0]=3 418 B7R1.18 O=C(O)C1CSC1 AM20100754 [1,0,0,1,0,0|0,0,0]=2 419 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.20 CC(=O)CC1CC1 AM20100099 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.20 O=C(O)CC1CC1 AM20100289 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.24 C1CNCCOC1 AM20090058 [1,0,0,1,0,0|1,0,1]=4 426 B9R1.7 CCC[C@H]1COC(=O)C1 AMY16477 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,1,0,1,0,0|0,1,0]=3 429 B9R1.48 O=C1CCCCC(=O)O1 AMY41401 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.73 CCOC(=O)C1CCC1 AM20070593 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.73 CCOC(=O)C1CNC1 AM20100083 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.73 CCOC(=O)C1CNC1 AM85915 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.73 CCOC(=O)[C@@H]1CCN1 AMY6563 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.75 CCOC(=O)CC1CC1 AMY4002 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.183 CCOC(=O)C1CC1F AMY5885 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F AMY5677 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.3 CC1COCC(C)C1=O AM101044 [0,1,0,1,0,0|1,1,0]=4 443 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,1,0,0|1,1,0]=4 444 B9R1.5 CN1CCCNCC1=O AM20100475 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.5 CN1CCCNCC1=O AMY15722 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.11 COC(=O)C1=CCCC1 AM20090313 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.11 COC(=O)C1CCCC1 AM803935 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.11 COC(=O)[C@@H]1CCCN1 AM20090186 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.11 COC(=O)[C@@H]1CCCN1 AM803993 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.11 COC(=O)[C@@H]1CCCN1 AM82197 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.11 COC(=O)[C@@H]1CCNC1 AMY23600 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.11 COC(=O)[C@H]1CCNC1 AM20120399 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.11 COC(=O)[C@H]1CCNC1 AM20120502 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.11 COC(=O)[C@H]1CCNC1 AMY14571 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.11 COC(=O)[C@H]1CCOC1 AMY202100097 [0,1,0,1,0,0|0,1,0]=3 459 B9R1.82 C=C1CC(C(=O)OC)C1 AM85374 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.82 COC(=O)C1CC(=O)C1 AM20070620 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.82 COC(=O)C1CC(Br)C1 AM85789 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.82 COC(=O)C1CC(Cl)C1 AMY34166 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.82 COC(=O)C1CC(F)C1 AM85364 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.82 COC(=O)C1CC(N)C1 AM85499 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.82 COC(=O)C1CC(N)C1 AM85562 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.82 COC(=O)C1CC(O)C1 AM20070616 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 AMY14943 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 AM10832 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 AMY34213 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 AMY14941 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.101 COC(=O)[C@@H](N)C1CC1 AMY36690 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.186 COC(=O)C1(Br)CCC1 AM806083 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.186 COC(=O)C1(C)CNC1 AMY34173 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.186 COC(=O)C1(N)CCC1 AM804554 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.186 COC(=O)[C@]1(C)CCN1 AMY24128 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.1 CCN1CCC(=O)CC1 AMY5271 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.1 CNC1CCC(=O)CC1 AMY202100013 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.1 COC1=CC[C@@H](O)CC1 AMY23663 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.1 COC1CCC(=O)CC1 AMY3589 [0,1,0,1,0,0|1,1,0]=4 480 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.79 COC(=O)C=C1COC1 AM20020005 [0,1,0,1,0,0|0,1,1]=4 483 B9R1.79 COC(=O)C=C1CSC1 AMY32169 [0,1,0,1,0,0|0,0,1]=3 484 B9R1.79 COC(=O)CC1CNC1 AMY34161 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.81 COC(=O)C1CNC1C AMY35763 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AM81454 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AM81455 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,1,0,1,0,0|1,1,0]=4 490 B9R1.110 CN(C)C(=O)C1CNC1 AMY35387 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.10 CC1(C)CCC(=O)CC1 AMY1271 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.10 CC1(O)CCC(=O)CC1 AMY202100039 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.10 C[N+]1(C)CCC(=O)CC1 AM20090330 [0,1,0,1,0,0|2,0,0]=4 494 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,2,0,0|2,0,0]=4