0 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C#CC(=O)OCC AM20100525 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C=CC(=O)NCC AMY36703 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 C=CC(=O)OCC AMY40211 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CC#CC(=O)OC AMY1234 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 CCNC(=O)CCl AM802871 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCNC(=O)NC AM85700 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCOC(=N)CCl AMY15738 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCOC(=O)CC AMY21941 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 CCOC(=O)CN AM81786 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCOC(=O)NC AMY3767 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCOC(=O)NN AMY23328 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CNC(=O)CC#N AM20100565 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 CNCC(=O)OC AM82645 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)CCBr AMY21872 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.1 COC(=O)CCN AM20090461 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 COC(=O)CCO AM85845 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 COC(=O)CSC AMY10908 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC(=O)OCCl AMY37648 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 COC(=O)\C=C\I AMY21721 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 COCC(=O)NN AMY3068 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.1 COCC(=O)OC AMY4063 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 C[C@H](CN)CCN AMY1782 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 C[C@H](CO)CCO AMY37676 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.1 N#CCC(=O)NN AMY5330 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 O=C(CCl)CCCl AM9592 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 OCC[C@H](O)CO AMY14876 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.1 OCC[C@H](O)CO AMY6061 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(=O)CC#N AM86800 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 CC(=O)CC#N AMY7035 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CC(=O)OCCl AMY28690 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(C)=CCBr AMY21882 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|0,0,0]=1 48 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CCNC(=N)N AMY1900 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CCNC(N)=S AMY18739 [1,0,0,0,0,0|2,1,0]=4 52 B5R0.1 CCOC(=S)[S-] AM20080300 [1,0,0,0,0,0|2,1,0]=4 53 B5R0.1 CCOC(C)=N AM90190 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CCO[PH](=O)[O-] AMY22458 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CCSC(C)=S AM90236 [1,0,0,0,0,0|1,1,0]=3 57 B5R0.1 CN(C)CCBr AM84884 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CN(C)CCCl AM20080022 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CN(C)CCCl AM20100171 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CN(C)CCN AM20080032 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 C[C@H](N)CCO AM84886 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 C[C@H](N)CCO AM9719 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 C[C@H](N)CCO AMY409 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 C\C(Br)=C/CO AMY11209 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|0,0,2]=3 77 B5R0.1 N#CCC(N)=O AM20080019 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 BrCCCCBr AM20080049 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|0,0,3]=4 91 B5R0.2 CCC#CCO AMY1239 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|0,0,1]=2 94 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 ClCCCCI AMY2538 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 ClCCOCCl AMY38249 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.2 ClC\C=C\CCl AMY2667 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 NCCCCCl AMY15236 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 NCCCCN AM20090504 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 NCCCCO AMY17788 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 OC\C=C\CCl AMY768 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.3 C#CC(=O)OC AMY7053 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.3 C=C(CCl)CCl AM80980 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.3 C=C(CO)CO AM20090550 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.3 CCC(=O)CC AMY11060 [1,0,0,0,0,0|0,0,0]=1 120 B5R0.3 CCC(=O)OC AMY21940 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.3 CCN(C)CC AMY13336 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.3 CCN(O)CC AMY25658 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.3 CC[C@@H](N)CO AM85835 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.3 CC[C@@H](O)CN AMY6653 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.3 CC[C@@H](O)CO AMY40578 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.3 CC[C@H](C)CBr AMY28688 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.3 CC[C@H](N)CO AM85834 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.3 CC[C@H](N)CO AM85988 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.3 CC[C@H](O)CO AMY40584 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.3 CC\C(C)=N\O AM90385 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.3 CNC(=O)NN AMY42564 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.3 COC(=O)C=O AMY1633 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.3 COC(=O)CF AM20100155 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.3 COC(=O)CN AM81785 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.3 COC(=O)OC AMY37165 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.3 COS(=O)OC AMY18046 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.3 NNC(=O)CCl AMY39922 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.3 NNC(=O)CO AM803763 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.3 O=C(CBr)CBr AM85919 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.3 O=C(CO)CBr AMY19754 [1,0,0,0,0,0|2,0,0]=3 143 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|0,0,1]=2 152 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.2 COC(=O)C[N+](=O)[O-] AM86803 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|0,0,2]=3 164 B7R0.3 C=CC(=O)NCCN AMY1138 [0,1,0,0,0,0|1,0,2]=4 165 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,0,0,0,0|0,0,0]=1 169 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.3 COC(=O)CCCN AM803145 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.3 COC(=O)CCCS AMY40461 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.5 CC(C)N(C)CCO AMY9192 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.7 C=C(OCC)OCC AM9861 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.7 C=CCC(=O)CC=C AM85807 [0,1,0,0,0,0|0,0,3]=4 200 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,0,0,0,0|0,0,2]=3 201 B7R0.7 CC#CC(=O)OCC AM86969 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,0,0,0,0|0,0,0]=1 203 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|0,0,2]=3 205 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.7 CCOC(=O)CCN AM803889 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.7 CCOC(=O)CNC AM82644 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.7 CCOC(=O)CNN AM20100649 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.7 CCOC(=O)COC AMY3969 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,0,0,0,0|1,0,0]=2 215 B7R0.7 CCOC(=O)N=C=O AMY771 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.7 CCOC(=O)N=C=S AMY10862 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,0,0,0,0|1,0,0]=2 218 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.7 CCOP(C)OCC AMY758 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.7 CCOP(Cl)OCC AMY843 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.7 CCOP([O-])OCC AMY7038 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.7 CCOS(=O)OCC AMY17996 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.7 COCC(O)COC AMY25050 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,1,0,0,0,0|1,0,1]=3 229 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.10 C=C(CO)C(=O)OC AM20120617 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.10 CCN(C)C(=O)CBr AM803019 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,0,0,0,0|1,0,0]=2 236 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,0,0,0,0|1,0,0]=2 237 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,0,0,0,0|1,0,0]=2 238 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,0,0,0,0|2,0,0]=3 244 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,0,0,0,0|2,0,0]=3 246 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.10 CON(C)C(=O)CCl AM20100624 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.10 NNC(=O)[C@@H](N)CO AMY25339 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.11 CCCC(C)(C)CO AM20120588 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.12 CCCC(CO)CO AMY36979 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.12 CCCN(CC)CC AMY13337 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.12 CCN(CC)CCCl AM20110242 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.12 CCN(CC)CCN AMY358 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,1,0,0,0,0|1,0,2]=4 266 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.1 CCC1=NCCO1 AM84318 [0,0,0,1,0,0|1,0,1]=3 272 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|1,0,1]=3 273 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|1,0,1]=3 275 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.1 COC1=NCCN1 AMY792 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.1 CSC1=NCCS1 AM832 [0,0,0,1,0,0|2,1,0]=4 279 B7R1.1 CSC1=NCCS1 AMY22060 [0,0,0,1,0,0|2,1,0]=4 280 B7R1.1 ClCC1=NCCN1 AMY745 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,0,0,1,0,0|1,0,2]=4 293 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,0,0,1,0,0|1,0,2]=4 294 B7R1.1 O=CC1=CCCC1 AMY30885 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,0,0,1,0,0|1,0,2]=4 301 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.1 ON=C1CCCC1 AM20080131 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,0,0,1,0,0|2,0,1]=4 312 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,0,0,1,0,0|1,0,2]=4 321 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,0,0,1,0,0|1,0,2]=4 322 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|1,0,0]=2 323 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,0,0,1,0,0|1,0,2]=4 326 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|0,0,0]=1 327 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|1,0,0]=2 328 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|1,0,0]=2 330 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,0,0,1,0,0|2,0,1]=4 332 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,0,0,1,0,0|1,0,2]=4 333 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.2 NC1CCC(O)C1 AMY19619 [0,0,0,1,0,0|1,0,2]=4 336 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,0,0,1,0,0|1,0,2]=4 337 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|2,0,0]=3 339 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,0,0,1,0,0|2,0,1]=4 341 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,0,0,1,0,0|1,0,2]=4 342 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,0,0,1,0,0|1,0,2]=4 343 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,0,0,1,0,0|1,0,2]=4 345 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,0,0,1,0,0|1,0,2]=4 347 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|1,0,1]=3 348 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|2,0,0]=3 351 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|2,0,0]=3 354 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.2 OC1CCC(O)C1 AMY33501 [0,0,0,1,0,0|1,0,2]=4 356 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|1,0,1]=3 358 B7R1.3 BrC1CCNCC1 AM101554 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.3 BrC1CCNCC1 AM20100339 [0,0,0,1,0,0|2,0,1]=4 360 B7R1.3 BrC1CCNCC1 AM90402 [0,0,0,1,0,0|2,0,1]=4 361 B7R1.3 BrC1CCOCC1 AM90079 [0,0,0,1,0,0|2,0,1]=4 362 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,1,0,0|2,0,1]=4 363 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,1,0,0|2,0,1]=4 365 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,1,0,0|1,0,0]=2 366 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,1,0,0|2,0,0]=3 367 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,1,0,0|2,0,0]=3 370 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,1,0,0|2,0,1]=4 373 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|2,0,1]=4 374 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,1,0,0|2,0,1]=4 375 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,1,0,0|2,0,1]=4 376 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.3 CN1CCNCC1 AM81360 [0,0,0,1,0,0|3,0,0]=4 378 B7R1.3 CN1CCOCC1 AMY14818 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 381 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|1,0,1]=3 385 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|1,0,1]=3 386 B7R1.3 ClC1CCNCC1 AM100920 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.3 ClC1CCNCC1 AM20100323 [0,0,0,1,0,0|2,0,1]=4 388 B7R1.3 ClC1CCOCC1 AM794 [0,0,0,1,0,0|2,0,1]=4 389 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,1,0,0|2,0,1]=4 390 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,1,0,0|2,0,1]=4 391 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,1,0,0|2,0,1]=4 392 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,1,0,0|2,0,1]=4 393 B7R1.3 FC1CCNCC1 AM20100405 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.3 FC1CCOCC1 AM100580 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.3 IC1CCNCC1 AM101380 [0,0,0,1,0,0|2,0,1]=4 397 B7R1.3 IC1CCNCC1 AM94352 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.3 IC1CCOCC1 AM20090312 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|1,0,1]=3 401 B7R1.3 NC1CCNCC1 AM85323 [0,0,0,1,0,0|2,0,1]=4 402 B7R1.3 NC1CCNCC1 AM85335 [0,0,0,1,0,0|2,0,1]=4 403 B7R1.3 NC1CCOCC1 AM20090495 [0,0,0,1,0,0|2,0,1]=4 404 B7R1.3 NC1CCOCC1 AM20100013 [0,0,0,1,0,0|2,0,1]=4 405 B7R1.3 NC1CCOCC1 AM669 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.3 NC1CCSCC1 AMY32230 [0,0,0,1,0,0|2,0,1]=4 407 B7R1.3 NC1CCSCC1 AMY3238 [0,0,0,1,0,0|2,0,1]=4 408 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.3 NN1CCNCC1 AM20090429 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,1,0,0|2,0,1]=4 412 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,1,0,0|2,0,1]=4 416 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,1,0,0|2,0,1]=4 417 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,1,0,0|2,0,1]=4 418 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,1,0,0|2,0,1]=4 419 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,1,0,0|2,0,1]=4 421 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|1,0,2]=4 422 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|1,0,2]=4 423 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,1,0,0|1,0,0]=2 424 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|1,0,0]=2 425 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|1,0,0]=2 426 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,1,0,0|1,0,0]=2 427 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,1,0,0|1,0,0]=2 430 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,1,0,0|1,0,0]=2 431 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,1,0,0|1,0,0]=2 432 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,1,0,0|1,0,0]=2 433 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|2,0,0]=3 434 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|2,0,0]=3 435 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,1,0,0|2,0,0]=3 436 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,1,0,0|2,0,0]=3 438 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,1,0,0|2,0,0]=3 439 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,1,0,0|2,0,0]=3 440 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,1,0,0|1,0,2]=4 441 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,1,0,0|1,0,2]=4 442 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,1,0,0|1,0,2]=4 443 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,1,0,0|1,0,2]=4 444 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,1,0,0|1,0,2]=4 445 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,1,0,0|1,0,2]=4 446 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,1,0,0|1,0,2]=4 447 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,1,0,0|1,0,2]=4 448 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,1,0,0|1,0,2]=4 449 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,1,0,0|1,0,2]=4 450 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,1,0,0|1,0,2]=4 451 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,1,0,0|2,1,0]=4 452 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,1,0,0|2,1,0]=4 453 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|0,1,1]=3 454 B7R1.3 SC1CCOCC1 AM100476 [0,0,0,1,0,0|1,1,1]=4 455 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,1,0,0|1,1,1]=4 456 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,1,0,0|1,0,2]=4 457 B7R1.4 CC1CNCC1O AM806548 [0,0,0,1,0,0|1,0,2]=4 458 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|1,0,0]=2 459 B7R1.4 CN1CCSC1=S AM84657 [0,0,0,1,0,0|2,1,0]=4 460 B7R1.4 CN1N=CCC1=O AMY11892 [0,0,0,1,0,0|2,0,1]=4 461 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|1,0,0]=2 462 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|0,0,0]=1 463 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|1,0,0]=2 464 B7R1.4 NC1CCCC1N AMY40491 [0,0,0,1,0,0|2,0,1]=4 465 B7R1.4 NC1CCCC1O AMY1026 [0,0,0,1,0,0|1,0,2]=4 466 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|2,0,0]=3 467 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,0,0,1,0,0|1,0,2]=4 468 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,0,0,1,0,0|1,0,2]=4 469 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,1,0,0|2,0,0]=3 470 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,0,0,1,0,0|1,0,2]=4 471 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,0,0,1,0,0|2,0,1]=4 472 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,0,0,1,0,0|1,0,2]=4 473 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,1,0,0|2,0,0]=3 474 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,1,0,0|2,0,0]=3 475 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,1,0,0|2,0,0]=3 476 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,1,0,0|2,0,0]=3 477 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,1,0,0|2,0,0]=3 478 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,0,0,1,0,0|3,0,0]=4 479 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|1,0,1]=3 480 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|1,0,0]=2 481 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,1,0,0|2,0,0]=3 482 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,1,0,0|2,0,0]=3 483 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,1,0,0|2,0,0]=3 484 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,0,0,1,0,0|1,0,2]=4 486 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|2,0,1]=4 487 B7R1.6 NCCN1CCC1 AMY34670 [0,0,0,1,0,0|3,0,0]=4 488 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|2,0,1]=4 489 B7R1.6 OCCN1CCC1 AM806453 [0,0,0,1,0,0|3,0,0]=4 490 B7R1.6 OCCN1CCC1 AMY37413 [0,0,0,1,0,0|3,0,0]=4 491 B7R1.8 NCC1CCC1F AMY35801 [0,0,0,1,0,0|2,0,1]=4 492 B7R1.10 CC1CC(CN)C1 AM806550 [0,0,0,1,0,0|2,0,1]=4 493 B7R1.10 CCN1CC(O)C1 AM803775 [0,0,0,1,0,0|3,0,0]=4 494 B7R1.21 COCC1(N)CC1 AMY38195 [0,0,0,1,0,0|2,0,1]=4 495 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,0,1,0,0|0,0,0]=1 496 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,0,1,0,0|1,0,0]=2 497 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,0,1,0,0|2,0,0]=3 498 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,0,1,0,0|2,0,0]=3 499 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,0,1,0,0|2,0,0]=3 500 B7R1.22 C\C(=N\O)C1CC1 AM87026 [0,0,0,1,0,0|3,0,0]=4 501 B7R1.22 NC(=NO)C1CC1 AM85797 [0,0,0,1,0,0|3,0,0]=4 502 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,0,0,1,0,0|2,0,0]=3 503 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,0,0,1,0,0|2,0,1]=4 504 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,0,0,1,0,0|1,0,0]=2 505 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,0,0,1,0,0|1,0,1]=3 506 B7R1.25 CCC1(O)CNC1 AM807070 [0,0,0,1,0,0|1,0,2]=4 507 B7R1.25 NCC1(F)CCC1 AMY34316 [0,0,0,1,0,0|2,0,1]=4 508 B7R1.25 NCC1(N)CCC1 AMY6115 [0,0,0,1,0,0|2,0,1]=4 509 B7R1.25 NCC1(O)CCC1 AMY34521 [0,0,0,1,0,0|1,0,2]=4 510 B4R0.1 C=C(C)CBr AM85592 [2,0,0,0,0,0|2,0,0]=4 511 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.1 CC(=O)C#N AMY39183 [2,0,0,0,0,0|1,0,1]=4 513 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 518 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|2,0,0]=4 519 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,0,2]=4 524 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|1,1,0]=4 525 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|2,0,0]=4 526 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,0,2]=4 527 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|2,0,0]=4 528 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|2,0,0]=4 531 B4R0.1 NC(=O)CBr AM85872 [2,0,0,0,0,0|2,0,0]=4 532 B4R0.1 NC(=O)CCl AMY4113 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.1 NCC(=O)[O-] AMY37022 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.1 NCC(N)=O AM20080473 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.1 NCC(N)=O AMY20517 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.1 NCC(N)=O AMY22705 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.1 O=C(Br)CBr AMY21867 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.1 O=C(Cl)CBr AMY13645 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.1 O=C(Cl)CCl AMY40193 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 543 B4R0.2 BrCCCBr AMY25527 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,1]=4 545 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,0,1]=4 546 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 547 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|1,0,1]=4 548 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,0]=3 549 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,0]=3 551 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,0]=3 552 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 553 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 554 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 555 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|2,0,0]=4 556 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|2,0,0]=4 557 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|2,0,0]=4 558 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|2,0,0]=4 559 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|2,0,0]=4 560 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|2,0,0]=4 561 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|1,0,1]=4 562 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|1,0,1]=4 563 B4R0.2 ClCCCBr AMY40180 [2,0,0,0,0,0|2,0,0]=4 564 B4R0.2 ClCCCCl AMY22013 [2,0,0,0,0,0|2,0,0]=4 565 B4R0.2 ClCCCI AMY25762 [2,0,0,0,0,0|2,0,0]=4 566 B4R0.2 FCCCBr AMY28674 [2,0,0,0,0,0|2,0,0]=4 567 B4R0.2 NCCCBr AM20100225 [2,0,0,0,0,0|2,0,0]=4 568 B4R0.2 NCCCN AMY21886 [2,0,0,0,0,0|2,0,0]=4 569 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|2,0,0]=4 570 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|2,0,0]=4 571 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|2,0,0]=4 572 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|2,0,0]=4 573 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,0]=3 574 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|0,0,2]=4 575 B6R0.2 CC(=O)CC(C)C AMY11098 [1,1,0,0,0,0|0,0,0]=2 576 B6R0.2 CC(=O)NC(C)C AMY3785 [1,1,0,0,0,0|1,0,0]=3 577 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [1,1,0,0,0,0|0,0,2]=4 578 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [1,1,0,0,0,0|0,0,2]=4 579 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [1,1,0,0,0,0|0,0,2]=4 580 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [1,1,0,0,0,0|0,0,2]=4 581 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.2 CC(C)OC(=O)Cl AMY3776 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.2 CN(C)CC(=O)O AM20080064 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.2 CN(C)CC(=O)O AM81799 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,1,0,0,0,0|1,0,0]=3 600 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.2 C[C@H](O)CN(C)C AMY13331 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,1,0,0,0,0|2,0,0]=4 604 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.3 CC(=O)C(=O)CBr AMY23002 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.3 CC(=O)C(=O)CCl AMY42031 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.3 CCC(=O)C(=O)O AM90224 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,1,0,0,0,0|0,0,1]=3 611 B6R0.3 CCN(C)C(=O)Cl AM20090787 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.3 CCN(O)C(C)=O AMY33549 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|1,0,0]=3 616 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|1,0,0]=3 617 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|1,0,0]=3 618 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [1,1,0,0,0,0|1,0,0]=3 622 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|2,0,0]=4 626 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,1,0,0,0,0|2,0,0]=4 627 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|2,0,0]=4 628 B6R0.3 COC(=O)C(C)=O AMY40825 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.3 CON(C)C(C)=O AM1188 [1,1,0,0,0,0|2,0,0]=4 630 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.3 NC(=O)C(N)CO AM806435 [1,1,0,0,0,0|2,0,0]=4 635 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.3 NC[C@H](O)C(=O)O AM1113 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.3 NC[C@H](O)C(=O)O AM82574 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [1,1,0,0,0,0|2,0,0]=4 644 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [1,1,0,0,0,0|2,0,0]=4 646 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [1,1,0,0,0,0|2,0,0]=4 649 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.4 C#CCOC(C)=O AM90264 [1,1,0,0,0,0|0,0,2]=4 654 B6R0.4 C=CCCC(=O)Cl AMY808 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.4 C=CCCC(C)=O AM84335 [1,1,0,0,0,0|0,0,1]=3 657 B6R0.4 C=CCOC(C)=O AMY22115 [1,1,0,0,0,0|0,0,2]=4 658 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|1,0,0]=3 659 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|1,0,0]=3 661 B6R0.4 CCCCN(C)C AMY25818 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|1,0,0]=3 663 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|1,0,0]=3 664 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|1,0,0]=3 665 B6R0.4 CN(C)CCCCl AM84336 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.4 CN(C)CCCCl AM90218 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,0]=3 668 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.4 CNCCN(C)C AMY10373 [1,1,0,0,0,0|2,0,0]=4 671 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|1,0,0]=3 672 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.4 NC(=O)OCCCl AMY19018 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.4 NCCCC(N)=O AMY15220 [1,1,0,0,0,0|1,0,0]=3 676 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|1,0,0]=3 678 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.5 CCCS(N)(=O)=O AMY27802 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.5 CCOS(C)(=O)=O AMY38422 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.5 CS(=O)(=O)CCBr AMY20175 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.5 CS(=O)(=O)CCCl AM803975 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.5 CS(=O)(=O)CCN AM20070694 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.6 BrCCCCCBr AMY11214 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.6 CCCCCCC AMY22304 [1,1,0,0,0,0|0,0,1]=3 686 B6R0.6 CCCCCCN AMY21942 [1,1,0,0,0,0|0,0,1]=3 687 B6R0.6 CCCCNCC AMY3985 [1,1,0,0,0,0|0,0,1]=3 688 B6R0.6 CCOCCC#N AMY40959 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.6 CCOCCCN AMY21920 [1,1,0,0,0,0|1,0,0]=3 690 B6R0.6 CCOCCCO AM20080058 [1,1,0,0,0,0|1,0,0]=3 691 B6R0.6 CCOCOCC AMY25683 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.6 COCCCCBr AMY9376 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.6 COCCCCO AM20080057 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.6 C\C=C\CCCO AMY2616 [1,1,0,0,0,0|0,0,1]=3 695 B6R0.6 ClCCNCCCl AM20100797 [1,1,0,0,0,0|2,0,0]=4 696 B6R0.6 ClCCOCCCl AMY9389 [1,1,0,0,0,0|2,0,0]=4 697 B6R0.6 FCCCCCBr AM20100088 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.6 NCCCCCN AM61576 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 NCCNCCCl AMY10888 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.6 NCCOCCN AMY7556 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.6 NCCOCCO AMY18064 [1,1,0,0,0,0|2,0,0]=4 702 B6R0.6 OCCCCCBr AM20090543 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.6 OCCOCCBr AMY4498 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.6 OCCOCCCl AMY9387 [1,1,0,0,0,0|2,0,0]=4 705 B6R0.9 CCC(CC)NN AM10003 [1,1,0,0,0,0|1,0,1]=4 706 B6R0.9 CCC(CC)NN AM10008 [1,1,0,0,0,0|1,0,1]=4 707 B6R0.9 CCN(CC)CC AMY14826 [1,1,0,0,0,0|2,0,0]=4 708 B6R0.9 CCP(CC)CC AMY11700 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.9 CC[BH-](CC)CC AMY14847 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.9 CC[O+](CC)CC AMY13411 [1,1,0,0,0,0|2,0,0]=4 711 B8R0.2 COC(=O)[C@@H](Br)C(C)=O AM85319 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,2,0,0,0,0|1,0,0]=3 713 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,2,0,0,0,0|1,0,0]=3 714 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,2,0,0,0,0|1,0,0]=3 715 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,2,0,0,0,0|1,0,0]=3 716 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O AM82244 [0,2,0,0,0,0|1,0,0]=3 717 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,2,0,0,0,0|1,0,0]=3 718 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,2,0,0,0,0|1,0,0]=3 719 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,2,0,0,0,0|1,0,0]=3 720 B8R0.2 CON(C)C(=O)C(C)C AM90020 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [0,2,0,0,0,0|1,0,1]=4 723 B8R0.5 CCOC(=O)CC(=N)N AM803971 [0,2,0,0,0,0|1,0,1]=4 724 B8R0.5 CCOC(=O)CC(=N)N AMY16018 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,2,0,0,0,0|1,0,0]=3 730 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,2,0,0,0,0|0,0,0]=2 731 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,2,0,0,0,0|0,0,0]=2 732 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,2,0,0,0,0|1,0,0]=3 733 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,2,0,0,0,0|0,0,0]=2 734 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,2,0,0,0,0|0,0,1]=3 735 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,2,0,0,0,0|1,0,0]=3 736 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.23 C=C(C)C(=O)NC(C)C AM20080280 [0,2,0,0,0,0|1,0,1]=4 739 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.23 CC(C)NC(=O)C(C)C AMY10581 [0,2,0,0,0,0|1,0,0]=3 741 B8R0.23 CC(C)OC(=O)[C@@H](C)N AMY30889 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.23 CC(C)OC(=O)[C@H](C)N AMY852 [0,2,0,0,0,0|1,0,0]=3 743 B8R0.24 CC(C)(C)OC(=O)CBr AMY28710 [0,2,0,0,0,0|2,0,0]=4 744 B8R0.24 CC(C)(C)OC(=O)CN AM20090346 [0,2,0,0,0,0|2,0,0]=4 745 B8R0.24 CC(C)(C)OC(=O)CN AM62773 [0,2,0,0,0,0|2,0,0]=4 746 B8R0.24 CC(C)(C)OC(=O)CO AMY202100090 [0,2,0,0,0,0|2,0,0]=4 747 B8R0.24 CC(C)(C)OC(=O)C[Zn+] AMY31010 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.24 CCC(=O)OC(C)(C)C AMY3894 [0,2,0,0,0,0|1,0,0]=3 749 B8R0.24 CNC(=O)CS(C)(=O)=O AMY20605 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.24 CNC(=O)OC(C)(C)C AMY31371 [0,2,0,0,0,0|2,0,0]=4 751 B8R0.24 COC(=O)CC(F)(F)F AMY6839 [0,2,0,0,0,0|2,0,0]=4 752 B8R0.24 COC(=O)CS(C)(=O)=O AM1105 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,2,0,0,0,0|0,0,1]=3 754 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,2,0,0,0,0|0,0,1]=3 755 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.1 CCOC(=O)CCCBr AM84904 [0,2,0,0,0,0|0,0,0]=2 757 B8R0.1 CCOC(=O)CCCN AM808169 [0,2,0,0,0,0|0,0,0]=2 758 B8R0.1 CCOC(=O)CCCO AMY4323 [0,2,0,0,0,0|0,0,0]=2 759 B8R0.1 CCOC(=O)CN=C=O AMY3222 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.1 CCOC(=O)CNC=O AM20090452 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.1 CCOC(=O)\C=C\CBr AMF0008 [0,2,0,0,0,0|0,0,2]=4 762 B8R0.1 CCOCC(=O)OCC AMY4116 [0,2,0,0,0,0|0,0,0]=2 763 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.3 CCCC(=O)N(C)OC AM90018 [0,2,0,0,0,0|1,0,0]=3 765 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|1,0,0]=3 766 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,2,0,0,0,0|1,0,0]=3 767 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,2,0,0,0,0|1,0,1]=4 768 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|0,0,1]=3 769 B8R0.3 CCOC(=O)C(N)C#N AM807974 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.3 CCOC(=O)N(C)N=O AMY41354 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.3 CCOC(=O)[C@@H](Cl)C=O AMY10622 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [0,2,0,0,0,0|1,0,1]=4 780 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,2,0,0,0,0|0,0,2]=4 781 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.6 CCNCCC(=O)OC AMY20543 [0,2,0,0,0,0|1,0,0]=3 783 B8R0.6 COC(=O)CCCCBr AM20120637 [0,2,0,0,0,0|1,0,0]=3 784 B8R0.6 COC(=O)CCN=C=O AMY6679 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,2,0,0,0,0|1,0,1]=4 787 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,2,0,0,0,0|1,0,1]=4 789 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,2,0,0,0,0|1,0,1]=4 790 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,2,0,0,0,0|0,0,0]=2 793 B8R0.9 CC(=O)OCC(=O)CCl AMY14363 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,2,0,0,0,0|0,0,1]=3 795 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,2,0,0,0,0|0,0,1]=3 796 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.9 COC(=O)CCN(C)C AM807052 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.9 NCC(=O)CCC(=O)O AM20100341 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.11 CCCCN(CC)CC AMY13335 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.11 CCCC[C@H](CC)CCl AMY9424 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.11 CCCC[C@H](CC)CN AMY21851 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.11 CCCC[C@H](CC)CO AMY11009 [0,2,0,0,0,0|0,0,2]=4 804 B8R0.14 CC(C)(C)C(=O)CC#N AMY21885 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.14 CC(C)(C)C(=O)OCI AMY13386 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.14 CCCC(=O)C(F)(F)F AMY6876 [0,2,0,0,0,0|1,0,0]=3 807 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.14 CCOC(=O)C(C)(F)F AMY1269 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.14 CCOC(=O)C(F)(F)Br AMY3632 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.14 CCOC(=O)C(F)(F)Cl AMY3630 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.14 CCOC(=O)C(F)(F)F AMY395 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.14 CCOC(=O)C(F)(F)I AMY37181 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.22 CCCC(C#N)CCC AMY164 [0,2,0,0,0,0|1,0,1]=4 815 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,2,0,0,0,0|1,0,1]=4 816 B8R0.30 CCOP(=O)([O-])OCC AMY41494 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.13 CCC(=O)C(C)(C)C=O AM20120716 [0,2,0,0,0,0|1,0,1]=4 818 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.13 COC(=O)C(F)(F)CBr AMY18660 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.20 CCN(CC)C(=O)CCl AMY25618 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.20 CC[C@H](NC)C(=O)OC AM9125 [0,2,0,0,0,0|1,0,0]=3 823 B8R0.20 CN[C@@H](CO)C(=O)OC AM8885 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.20 COC(=O)C(OC)OC AM20120283 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.20 COC(OC)C(=O)CBr AMY37725 [0,2,0,0,0,0|2,0,0]=4 826 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,1]=4 827 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 828 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|2,0,0]=4 829 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,0]=3 830 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|1,0,0]=3 831 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,1,0,0|1,1,0]=4 832 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 833 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|2,0,0]=4 834 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 835 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 836 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 837 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 838 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 839 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,2]=4 840 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 841 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 842 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|1,0,0]=3 843 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 844 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|0,0,2]=4 845 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|0,0,0]=2 846 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,0]=3 847 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 848 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 849 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|1,0,0]=3 851 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|1,0,0]=3 852 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|2,0,0]=4 853 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,1,0,0|2,0,0]=4 854 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|2,0,0]=4 855 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,2]=4 856 B6R1.5 C=C1CC(N)C1 AM84287 [1,0,0,1,0,0|2,0,0]=4 857 B6R1.5 C=C1CC(N)C1 AM84288 [1,0,0,1,0,0|2,0,0]=4 858 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|0,0,0]=2 859 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|1,0,0]=3 860 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|1,0,0]=3 861 B6R1.10 CC1(N)CCC1 AM808140 [1,0,0,1,0,0|1,0,1]=4 862 B6R1.10 CC1(N)CCC1 AMY1785 [1,0,0,1,0,0|1,0,1]=4 863 B6R1.10 O=S1(=O)CCC1 AM20100397 [1,0,0,1,0,0|2,0,0]=4 864 B6R1.11 CC(=O)C1CC1 AM83286 [1,0,0,1,0,0|0,0,0]=2 865 B6R1.11 C[C@H](N)C1CC1 AM804149 [1,0,0,1,0,0|1,0,1]=4 866 B6R1.11 C[C@H](N)C1CC1 AM806511 [1,0,0,1,0,0|1,0,1]=4 867 B6R1.11 C[C@H](O)C1CC1 AM804334 [1,0,0,1,0,0|0,0,2]=4 868 B6R1.11 N=C(N)C1CC1 AM804064 [1,0,0,1,0,0|2,0,0]=4 869 B6R1.11 N=C(N)C1CC1 AMY202003285 [1,0,0,1,0,0|2,0,0]=4 870 B6R1.11 NC(=O)C1CC1 AM20100524 [1,0,0,1,0,0|1,0,0]=3 871 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [1,0,0,1,0,0|2,0,0]=4 872 B6R1.11 NC(=S)C1CC1 AMY30195 [1,0,0,1,0,0|1,1,0]=4 873 B6R1.11 O=C(Cl)C1CC1 AMY3975 [1,0,0,1,0,0|1,0,0]=3 874 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|1,0,0]=3 875 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [1,0,0,1,0,0|2,0,0]=4 876 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [1,0,0,1,0,0|2,0,0]=4 877 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|0,0,1]=3 878 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|1,0,1]=4 879 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|1,0,1]=4 880 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|1,0,1]=4 881 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|1,0,1]=4 882 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 883 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|0,0,1]=3 884 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,0]=3 885 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 886 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|1,0,0]=3 887 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|2,0,0]=4 888 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|2,0,0]=4 889 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,1,0,0|2,0,0]=4 890 B6R1.1 C1COCCN1 AMY14878 [1,0,0,1,0,0|2,0,0]=4 891 B6R1.1 C1COCCN1 AMY22834 [1,0,0,1,0,0|2,0,0]=4 892 B6R1.1 C1COCCN1 AMY721 [1,0,0,1,0,0|2,0,0]=4 893 B6R1.1 C1COCCO1 AMY33329 [1,0,0,1,0,0|2,0,0]=4 894 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|2,0,0]=4 895 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|2,0,0]=4 896 B6R1.6 BrCC1CCC1 AM20070598 [1,0,0,1,0,0|1,0,1]=4 897 B6R1.6 BrC[C@H]1CCO1 AM20020056 [1,0,0,1,0,0|2,0,0]=4 898 B6R1.6 ClCC1CCC1 AMY31015 [1,0,0,1,0,0|1,0,1]=4 899 B6R1.6 ClC[C@H]1CCO1 AM807017 [1,0,0,1,0,0|2,0,0]=4 900 B6R1.6 ICC1CCC1 AMY34464 [1,0,0,1,0,0|1,0,1]=4 901 B6R1.6 IC[C@H]1CCO1 AM20020012 [1,0,0,1,0,0|2,0,0]=4 902 B6R1.6 NCC1CCC1 AM20070613 [1,0,0,1,0,0|1,0,1]=4 903 B6R1.6 NC[C@H]1CCN1 AM20070687 [1,0,0,1,0,0|2,0,0]=4 904 B6R1.6 NC[C@H]1CCO1 AM20020052 [1,0,0,1,0,0|2,0,0]=4 905 B6R1.6 OCC1CCC1 AM90211 [1,0,0,1,0,0|1,0,1]=4 906 B6R1.6 OC[C@H]1CCO1 AM807004 [1,0,0,1,0,0|2,0,0]=4 907 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [0,1,0,1,0,0|0,0,2]=4 908 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.1 CN1CC[C@@H](CN)C1 AMY35716 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.1 CN1CC[C@@H](CO)C1 AMY4400 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.1 CN1CC[C@H](CBr)C1 AM91878 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.1 CN1CC[C@H](CCl)C1 AM100961 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.1 CN1CC[C@H](CCl)C1 AM100997 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.1 CN1CC[C@H](CI)C1 AM92498 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.1 CN1CC[C@H](CN)C1 AM20080210 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.1 CN1CC[C@H](CO)C1 AM803966 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.1 CN[C@H]1CCN(C)C1 AM101291 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.1 CN[C@H]1CCN(C)C1 AM101292 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.1 CN[C@H]1CCN(C)C1 AM10511 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|1,0,0]=3 924 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,1,0,0|1,0,0]=3 928 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|1,0,0]=3 930 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,1,0,0|1,0,1]=4 940 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.4 CC1CC(N)CCN1 AMY19269 [0,1,0,1,0,0|1,0,1]=4 942 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,1,0,0|1,0,1]=4 943 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,1,0,0|0,0,2]=4 945 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.4 CC1CNCC(C)C1 AMY3386 [0,1,0,1,0,0|1,0,1]=4 947 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|0,0,0]=2 948 B8R1.4 CN1CCC[C@H](Br)C1 AM100732 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.4 CN1CCC[C@H](Br)C1 AM96149 [0,1,0,1,0,0|1,0,1]=4 950 B8R1.4 CN1CCC[C@H](Br)C1 AM96336 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.4 CN1CCC[C@H](Cl)C1 AM100541 [0,1,0,1,0,0|1,0,1]=4 952 B8R1.4 CN1CCC[C@H](Cl)C1 AM95149 [0,1,0,1,0,0|1,0,1]=4 953 B8R1.4 CN1CCC[C@H](Cl)C1 AM96246 [0,1,0,1,0,0|1,0,1]=4 954 B8R1.4 CN1CCC[C@H](I)C1 AM92117 [0,1,0,1,0,0|1,0,1]=4 955 B8R1.4 CN1CCC[C@H](I)C1 AM96657 [0,1,0,1,0,0|1,0,1]=4 956 B8R1.4 CN1CCC[C@H](I)C1 AM96719 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [0,1,0,1,0,0|1,0,1]=4 959 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [0,1,0,1,0,0|1,0,1]=4 960 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,1,0,0|0,0,2]=4 962 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,1,0,0|0,0,2]=4 963 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|0,0,0]=2 966 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|0,0,0]=2 967 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|0,0,0]=2 968 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|0,0,0]=2 969 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,1,0,0|2,0,0]=4 971 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,1,0,0|0,0,2]=4 974 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,1,0,0|0,0,2]=4 975 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,1,0,0|0,0,2]=4 976 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,1,0,0|0,0,2]=4 977 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AM85391 [0,1,0,1,0,0|1,0,1]=4 978 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,1,0,0|0,0,2]=4 979 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,1,0,0|0,0,2]=4 980 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,1,0,0|0,0,2]=4 981 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,1,0,0|0,0,1]=3 984 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,1,0,0|1,0,1]=4 985 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|1,0,1]=4 987 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|1,0,0]=3 990 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.40 O=C(CCl)NC1CC1 AM86723 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,1,0,1,0,0|0,0,2]=4 995 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,1,0,0|0,0,0]=2 996 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 AMY37457 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AM85058 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AMY37458 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.2 BrCC1CCCCC1 AM83288 [0,1,0,1,0,0|1,0,1]=4 1004 B8R1.2 C#CC1CCCCC1 AMY1266 [0,1,0,1,0,0|1,0,1]=4 1005 B8R1.2 CC=C1CCOCC1 AMY6099 [0,1,0,1,0,0|1,0,1]=4 1006 B8R1.2 CCC1CCNCC1 AM803694 [0,1,0,1,0,0|1,0,1]=4 1007 B8R1.2 CCN1CCCCC1 AMY23165 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.2 CCN1CCNCC1 AM81362 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,1,0,0|0,0,2]=4 1010 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,1,0,1,0,0|1,0,1]=4 1011 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,1,0,1,0,0|1,0,1]=4 1012 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,1,0,1,0,0|1,0,1]=4 1013 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,1,0,0|0,0,2]=4 1014 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,1,0,0|0,0,2]=4 1015 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,1,0,1,0,0|1,0,1]=4 1016 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,1,0,1,0,0|1,0,1]=4 1017 B8R1.2 CNC1CCCCC1 AM802809 [0,1,0,1,0,0|1,0,1]=4 1018 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,1,0,0|1,0,1]=4 1021 B8R1.2 N#CC1CCCCC1 AM20070512 [0,1,0,1,0,0|1,0,1]=4 1022 B8R1.2 NCC1CCCCC1 AM803690 [0,1,0,1,0,0|1,0,1]=4 1023 B8R1.2 NNC1CCCCC1 AM803671 [0,1,0,1,0,0|1,0,1]=4 1024 B8R1.2 NNC1CCCCC1 AM9784 [0,1,0,1,0,0|1,0,1]=4 1025 B8R1.2 NNC1CCCCC1 AMY18126 [0,1,0,1,0,0|1,0,1]=4 1026 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,1,0,0|0,0,2]=4 1027 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|0,0,1]=3 1028 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|1,0,1]=4 1029 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,1,0,0|0,0,1]=3 1030 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,1,0,0|1,0,1]=4 1031 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,1,0,0|1,0,1]=4 1032 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,1,0,0|1,0,1]=4 1033 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,1,0,0|1,0,1]=4 1034 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.2 O=CN1CCNCC1 AM81361 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.2 O=CN1CCOCC1 AMY23275 [0,1,0,1,0,0|2,0,0]=4 1037 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,1,0,0|1,0,1]=4 1039 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,1,0,0|1,0,1]=4 1040 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,1,0,0|1,0,1]=4 1041 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,1,0,0|1,0,1]=4 1042 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,1,0,0|0,0,2]=4 1043 B8R1.2 ON=C1CCOCC1 AMY19185 [0,1,0,1,0,0|1,0,1]=4 1044 B8R1.2 ON=C1CCSCC1 AMY10286 [0,1,0,1,0,0|1,0,1]=4 1045 B8R1.3 Br[C@H]1CC[C@H](Br)CC1 AMY6604 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,1,0,1,0,0|1,0,1]=4 1047 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|0,0,0]=2 1048 B8R1.3 CC1CCC(N)CC1 AM804167 [0,1,0,1,0,0|1,0,1]=4 1049 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,1,0,1,0,0|1,0,1]=4 1050 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|0,0,0]=2 1051 B8R1.3 CN1CCC(Br)CC1 AMY41829 [0,1,0,1,0,0|1,0,1]=4 1052 B8R1.3 CN1CCC(Cl)CC1 AMY40670 [0,1,0,1,0,0|1,0,1]=4 1053 B8R1.3 CN1CCC(I)CC1 AM100725 [0,1,0,1,0,0|1,0,1]=4 1054 B8R1.3 CN1CCC(N)CC1 AM20100109 [0,1,0,1,0,0|1,0,1]=4 1055 B8R1.3 CN1CCC(O)CC1 AM802881 [0,1,0,1,0,0|0,0,2]=4 1056 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,1,0,1,0,0|0,0,2]=4 1057 B8R1.3 CN1CCN(N)CC1 AM85350 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|0,0,1]=3 1059 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,1,0,1,0,0|1,0,1]=4 1060 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,1,0,0|0,0,2]=4 1061 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|1,0,0]=3 1062 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,1,0,1,0,0|1,0,1]=4 1063 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,1,0,0|0,0,2]=4 1064 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,1,0,0|0,0,2]=4 1065 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,1,0,0|0,0,2]=4 1066 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|1,0,0]=3 1067 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|0,0,0]=2 1068 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|0,0,0]=2 1069 B8R1.3 NC1CCC(Br)CC1 AM101779 [0,1,0,1,0,0|1,0,1]=4 1070 B8R1.3 NC1CCC(Cl)CC1 AM100935 [0,1,0,1,0,0|1,0,1]=4 1071 B8R1.3 NC1CCC(I)CC1 AM93472 [0,1,0,1,0,0|1,0,1]=4 1072 B8R1.3 NC1CCC(N)CC1 AM100652 [0,1,0,1,0,0|1,0,1]=4 1073 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,1,0,0|0,0,2]=4 1074 B8R1.3 NN1CCC(O)CC1 AMY16127 [0,1,0,1,0,0|2,0,0]=4 1075 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AMY37608 [0,1,0,1,0,0|1,0,1]=4 1078 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,1,0,0|0,0,2]=4 1079 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,1,0,0|0,0,2]=4 1080 B8R1.3 N[C@H]1CC[C@H](N)CC1 AM20070543 [0,1,0,1,0,0|1,0,1]=4 1081 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,1,0,0|0,0,2]=4 1082 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,1,0,0|0,0,2]=4 1083 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|0,0,0]=2 1085 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|0,0,0]=2 1086 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,1,0,0|2,0,0]=4 1088 B8R1.5 CC1CCCCC1N AM804248 [0,1,0,1,0,0|1,0,1]=4 1089 B8R1.5 CC1CCCNC1C AM81284 [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,1,0,0|0,0,2]=4 1091 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,1,0,0|0,0,2]=4 1092 B8R1.5 CC1COCCC1N AM91481 [0,1,0,1,0,0|1,0,1]=4 1093 B8R1.5 CC1COCCC1O AM101521 [0,1,0,1,0,0|0,0,2]=4 1094 B8R1.5 CC1COCCC1S AM99651 [0,1,0,1,0,0|0,1,1]=4 1095 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,1,0,0|1,0,0]=3 1096 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,1,0,0|1,0,0]=3 1097 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,1,0,0|1,0,0]=3 1100 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|0,0,0]=2 1101 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|0,0,0]=2 1102 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|0,0,0]=2 1103 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,1,0,1,0,0|2,0,0]=4 1104 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,1,0,1,0,0|2,0,0]=4 1105 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|0,0,0]=2 1106 B8R1.5 NC1CCCCC1F AM806373 [0,1,0,1,0,0|1,0,1]=4 1107 B8R1.5 NC1CCCCC1N AM20070551 [0,1,0,1,0,0|1,0,1]=4 1108 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,1,0,0|0,0,2]=4 1109 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,1,0,0|0,0,2]=4 1110 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,1,0,0|0,0,2]=4 1111 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|0,0,0]=2 1113 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [0,1,0,1,0,0|1,0,1]=4 1114 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,1,0,0|0,0,2]=4 1116 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,1,0,0|0,0,2]=4 1117 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,1,0,0|0,0,2]=4 1118 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,1,0,0|0,0,2]=4 1119 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,1,0,0|0,0,2]=4 1121 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|1,0,0]=3 1122 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|1,0,0]=3 1123 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|0,0,1]=3 1124 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|0,0,0]=2 1125 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|0,0,0]=2 1126 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|1,0,0]=3 1127 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|1,0,0]=3 1128 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|1,0,0]=3 1129 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,1,0,0|1,0,0]=3 1130 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,1,0,0|0,0,2]=4 1132 B8R1.10 OCCCN1CCC1 AMY37454 [0,1,0,1,0,0|2,0,0]=4 1133 B8R1.22 CN1CCCNCC1 AMY31990 [0,1,0,1,0,0|2,0,0]=4 1134 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,1,0,1,0,0|1,0,1]=4 1135 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,1,0,1,0,0|1,0,1]=4 1136 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,1,0,1,0,0|1,0,1]=4 1137 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,1,0,1,0,0|1,0,1]=4 1138 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,1,0,1,0,0|1,0,1]=4 1139 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,1,0,1,0,0|1,0,1]=4 1140 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,1,0,1,0,0|1,0,1]=4 1141 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|0,0,0]=2 1142 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|0,0,0]=2 1143 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|0,0,0]=2 1144 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|1,0,0]=3 1145 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|1,0,0]=3 1147 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,1,0,1,0,0|0,0,2]=4 1148 B8R1.38 CNC(=O)C1CCC1 AMY32244 [0,1,0,1,0,0|1,0,0]=3 1149 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.38 NNC(=O)C1CCC1 AM20070630 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.38 O=C(CBr)N1CCC1 AMY15408 [0,1,0,1,0,0|1,0,0]=3 1157 B8R1.38 O=C(CCl)N1CCC1 AM804165 [0,1,0,1,0,0|1,0,0]=3 1158 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|0,0,2]=4 1159 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,1,0,0|0,0,1]=3 1160 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|1,0,0]=3 1164 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,1,0,0|2,0,0]=4 1165 B8R1.52 CC[N+]1(C)CCCC1 AMY10921 [0,1,0,1,0,0|2,0,0]=4 1166 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,1,0,1,0,0|1,0,1]=4 1167 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,1,0,1,0,0|1,0,1]=4 1168 B8R1.7 C[C@H](N)C1CCCC1 AM86034 [0,1,0,1,0,0|1,0,1]=4 1169 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,1,0,0|0,0,0]=2 1170 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,1,0,1,0,0|0,0,0]=2 1172 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,1,0,1,0,0|1,0,0]=3 1173 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,1,0,1,0,0|1,0,0]=3 1174 B8R1.37 COC[C@H](N)C1CC1 AMY5685 [0,1,0,1,0,0|1,0,1]=4 1175 B8R1.37 N#CCC(=O)C1CC1 AM806869 [0,1,0,1,0,0|0,0,1]=3 1176 B8R1.54 C[C@H](Br)C(=O)C1CC1 AMY34721 [0,1,0,1,0,0|0,0,0]=2 1177 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [0,1,0,1,0,0|1,0,1]=4 1178 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,1,0,1,0,0|1,0,1]=4 1180 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,1,0,1,0,0|1,0,1]=4 1181 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,1,0,1,0,0|1,0,1]=4 1182 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.8 ClCCN1CCCC1 AMY4094 [0,1,0,1,0,0|2,0,0]=4 1184 B8R1.8 NCCC1CCCC1 AM20100413 [0,1,0,1,0,0|1,0,1]=4 1185 B8R1.8 NCCC1CCCC1 AMY16086 [0,1,0,1,0,0|1,0,1]=4 1186 B8R1.8 NCCN1CCCC1 AMY9353 [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,1,0,1,0,0|0,0,2]=4 1188 B8R1.8 OCCC1CCCC1 AMY18681 [0,1,0,1,0,0|1,0,1]=4 1189 B8R1.8 OCCN1CCCC1 AM20090391 [0,1,0,1,0,0|2,0,0]=4 1190 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.8 SCCN1CCCC1 AM20100120 [0,1,0,1,0,0|2,0,0]=4 1192 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,1,0,1,0,0|2,0,0]=4 1193 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,1,0,1,0,0|2,0,0]=4 1194 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,1,0,1,0,0|2,0,0]=4 1196 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,1,0,1,0,0|2,0,0]=4 1197 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,1,0,1,0,0|2,0,0]=4 1198 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,1,0,1,0,0|2,0,0]=4 1199 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,1,0,1,0,0|2,0,0]=4 1200 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,1,0,0|2,0,0]=4 1202 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,1,0,1,0,0|0,0,1]=3 1205 B8R1.11 N#C[C@H]1CNCC1=O AM101437 [0,1,0,1,0,0|1,0,1]=4 1206 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,1,0,1,0,0|1,0,1]=4 1207 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,1,0,0|0,0,2]=4 1209 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,1,0,0|1,0,0]=3 1210 B8R1.66 NC1(CCO)CCC1 AMY34656 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.39 COC(=O)C1(Br)CC1 AMY18857 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.39 COC(=O)C1(N)CC1 AM804291 [0,1,0,1,0,0|1,0,0]=3 1213 B8R1.39 COC(=O)C1(N)CC1 AMY40707 [0,1,0,1,0,0|1,0,0]=3 1214 B8R1.39 COC(=O)C1(O)CC1 AM85732 [0,1,0,1,0,0|1,0,0]=3 1215 B8R1.39 O=C(CCl)C1(Cl)CC1 AMY11228 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.72 CC1(N)CCCCC1 AM804197 [0,1,0,1,0,0|1,0,1]=4 1217 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,1,0,0|0,0,2]=4 1218 B8R1.72 FC1(F)CCCCC1 AMY5923 [0,1,0,1,0,0|1,0,1]=4 1219 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.72 O=S1(=O)CCNCC1 AM20100461 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.72 O=S1(=O)CCNCC1 AM84924 [0,1,0,1,0,0|2,0,0]=4 1222 B8R1.60 CCC1(C=O)COC1 AMY34847 [0,1,0,1,0,0|1,0,1]=4 1223 B8R2.34 C1CC2CC1CN2 AMY6354 [0,0,0,2,0,0|1,0,1]=4 1224 B8R2.34 C1CC2CCC1N2 AM20070524 [0,0,0,2,0,0|1,0,1]=4 1225 B8R2.34 C1CC2CCC1N2 AMY11781 [0,0,0,2,0,0|1,0,1]=4 1226 B8R2.55 C1CNC2(C1)CC2 AMY33805 [0,0,0,2,0,0|1,0,1]=4 1227 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,2,0,0|0,0,2]=4 1228 B8R2.42 C1CC2(C1)CCN2 AM100897 [0,0,0,2,0,0|1,0,1]=4 1229 B8R2.19 O=C1CCC12CC2 AMY35720 [0,0,0,2,0,0|0,0,0]=2