0 B7R0.2 CCC(=O)CC(C)=O AMY2701 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.2 CCC(C)CC(C)N AMY12579 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [1,0,0,0,0,0|1,1,0]=3 5 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.9 CC(C)(C)CB(O)O AMY054 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [1,0,0,0,0,0|2,1,0]=4 9 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.9 CC(C)(N)CC(=O)O AMY115 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.9 CC(C)(N)CC(N)=O AMY120 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [1,0,0,0,0,0|1,1,0]=3 14 B7R0.9 CC(C)CC(C)(C)O AMY25737 [1,0,0,0,0,0|1,1,1]=4 15 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.9 CN(C)CC(C)(C)N AMY40945 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.9 CN(C)CC(C)(C)O AMY9263 [1,0,0,0,0,0|2,1,0]=4 18 B7R0.9 C[C@H](O)C[N+](C)(C)C AMY18692 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.11 C=CCC(C)(C)C=O AM20080935 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.11 CCCC(C)(C)CO AM20120588 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.11 COC(C)(C)CCN AMY21326 [1,0,0,0,0,0|1,1,1]=4 24 B9R0.11 CC(C)(CC(=O)O)C(=O)O AM20100456 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.58 CCC[C@](C)(O)CC(=O)O AMY27843 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.63 COP(=O)(CC(C)=O)OC AMY19078 [0,1,0,0,0,0|2,1,0]=4 27 B9R0.63 CO[P@](=O)(NC(C)=O)SC AMY40939 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.38 CC1(C)CC(=O)OC1=O AM20090036 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.38 CC1(C)NC(=O)CC1=O AM806683 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,0,0,1,0,0|0,1,0]=2 31 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.66 CC1(C)C[C@@H](O)CCN1 AM806685 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.66 CC1(C)C[C@@H](O)CCO1 AMY9124 [0,0,0,1,0,0|0,1,2]=4 35 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.128 O=C(O)CC1(CS)CC1 AM84551 [0,0,0,1,0,0|3,0,0]=4 37 B7R0.13 C#CC(C)(C)C(=O)O AMY39223 [0,0,0,0,1,0|2,0,1]=4 38 B7R0.13 CC(C)(C#N)C(=O)O AM807025 [0,0,0,0,1,0|3,0,0]=4 39 B7R0.13 CC(C)(CN)C(=O)O AMY286 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.13 CC(C)(CN)C(N)=O AM20090472 [0,0,0,0,1,0|3,0,0]=4 41 B7R0.13 CC(C)(CO)C(=O)O AM90214 [0,0,0,0,1,0|3,0,0]=4 42 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,0,0,0,1,0|2,0,0]=3 43 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,0,0,0,1,0|3,0,0]=4 45 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,0,0,0,1,0|3,0,0]=4 46 B6R0.2 CC(=O)C=C(C)C AMY23356 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.2 CC(=O)CC(C)C AMY11098 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.2 CC(=O)NC(C)C AMY3785 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.2 CC(C)CC(=O)O AMY40214 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(C)C[C@H](C)N AMY36830 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(C)OC(=O)Cl AMY3776 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [2,0,0,0,0,0|1,1,0]=4 53 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [2,0,0,0,0,0|1,1,0]=4 54 B6R0.2 CN(C)CC(=O)O AM20080064 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.2 CN(C)CC(=O)O AM81799 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [2,0,0,0,0,0|1,1,0]=4 59 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.2 C[C@H](N)CC(=O)O AM804090 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [2,0,0,0,0,0|1,1,0]=4 64 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [2,0,0,0,0,0|1,1,0]=4 65 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [2,0,0,0,0,0|1,1,0]=4 66 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [2,0,0,0,0,0|1,1,0]=4 67 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [2,0,0,0,0,0|1,1,0]=4 68 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CNCCC(=O)O AM84855 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 COCCC(=O)O AMY2689 [2,0,0,0,0,0|1,1,0]=4 73 B6R0.5 C=CC[Si](C)(C)C AMY7007 [2,0,0,0,0,0|0,1,1]=4 74 B6R0.5 CC(C)(C)CC=O AM20090398 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.5 CC(C)(C)CCO AM20100528 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.5 CC(C)(C)ON=O AMY4009 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.5 CNCC(C)(C)O AM807013 [2,0,0,0,0,0|1,1,0]=4 78 B6R0.5 COCC(C)(C)O AMY9274 [2,0,0,0,0,0|1,1,0]=4 79 B6R0.8 CNC(C)(C)CO AM85695 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.8 COC(C)(C)CBr AM806263 [2,0,0,0,0,0|1,1,0]=4 81 B6R0.8 COC(C)(C)CN AMY36536 [2,0,0,0,0,0|1,1,0]=4 82 B6R0.8 COC(C)(C)CO AM90075 [2,0,0,0,0,0|0,1,1]=4 83 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O AM82265 [1,1,0,0,0,0|1,1,0]=4 89 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.27 CC(=O)N(C)[Si](C)(C)C AMY3269 [1,1,0,0,0,0|1,1,0]=4 93 B8R0.27 CC(C)(C)C(=O)C(=O)O AMY31056 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O AMY13616 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090175 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090329 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090501 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.27 CC(C)(C)[C@H](O)C(=O)O AMY13579 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AM83710 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AMY42343 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.36 CC[C@@](C)(OC)C(=O)O AMY13583 [0,1,0,0,1,0|1,1,0]=4 102 B8R0.36 COC(C)(OC)C(C)=O AM20090206 [0,1,0,0,1,0|0,1,0]=3 103 B10R0.141 COC(=O)C(C)(C)CC(=O)O AM20090494 [0,2,0,0,0,0|1,1,0]=4 104 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [1,0,0,1,0,0|1,1,0]=4 105 B8R1.4 CN1CCCC(=O)C1 AM20100357 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [1,0,0,1,0,0|0,1,0]=3 109 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.31 CC1CCC1C(=O)O AM807028 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.31 CC1NCC1C(=O)O AMY35766 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.34 O=C(O)CC1CCC1 AM807029 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.62 CC1(C#N)CC(=O)C1 AMY34627 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.72 CC1(C)CCCNC1 AMY42566 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.72 CC1(C)CNCCN1 AM20110209 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.72 CC1(C)CNCCO1 AM20080363 [1,0,0,1,0,0|1,1,0]=4 118 B8R1.72 CC1(C)CNCCO1 AMY34686 [1,0,0,1,0,0|1,1,0]=4 119 B8R1.72 CC1(C)COCCN1 AMY21767 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.63 CCC1(C(=O)O)CC1 AMY34605 [0,0,0,1,1,0|2,0,0]=4 121 B8R1.78 CC1(C(=O)O)CCC1 AMY33490 [0,0,0,1,1,0|2,0,0]=4 122 B10R1.473 CC1(C#N)CCC(=O)CC1 AMY34630 [0,0,0,1,0,1|2,0,0]=4 123 B10R1.473 CC[N+]1(C)CCC(=O)CC1 AMY41448 [0,0,0,1,0,1|2,0,0]=4 124 B10R1.171 CC1(C)C[C@@H](C=O)CCO1 AM20090547 [0,1,0,1,0,0|0,1,1]=4 125 B10R1.592 COC(=O)CC1(CBr)CC1 AMY35313 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O AMY34795 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O AMY202003207 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O AMY34908 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.329 CC1(C)CC(=O)CC(=O)C1 AM10627 [0,1,0,1,0,0|1,0,1]=4 130 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,0,0,0,1,0|2,0,0]=4 131 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,0,0,0,1,0|2,0,0]=4 132 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,0,0,0,1,0|2,0,0]=4 133 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,0,0,0,1,0|2,0,0]=4 134 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,0,0,0,1,0|2,0,0]=4 135 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,0,0,0,1,0|2,0,0]=4 136 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,0,0,0,1,0|2,0,0]=4 137 B6R0.3 CON(C)C(C)=O AM1188 [1,0,0,0,1,0|1,1,0]=4 138 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,0,0,0,1,0|1,1,0]=4 139 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,0,0,0,1,0|1,0,1]=4 140 B6R0.7 CC(=O)C(C)(C)N AM806454 [1,0,0,0,1,0|1,0,0]=3 141 B6R0.7 CC(=O)C(C)(C)O AM84347 [1,0,0,0,1,0|0,1,0]=3 142 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [1,0,0,0,1,0|2,0,0]=4 143 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [1,0,0,0,1,0|2,0,0]=4 144 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [1,0,0,0,1,0|2,0,0]=4 145 B6R0.7 CC(C)(C)C(=N)N AM804113 [1,0,0,0,1,0|2,0,0]=4 146 B6R0.7 CC(C)(C)C(=N)N AMY25598 [1,0,0,0,1,0|2,0,0]=4 147 B6R0.7 CC(C)(C)C(N)=S AM20100553 [1,0,0,0,1,0|1,1,0]=4 148 B6R0.7 CC(C)(C)[S@@](N)=O AM20080353 [1,0,0,0,1,0|2,0,0]=4 149 B6R0.7 CC(C)(C)[S@@](N)=O AM62752 [1,0,0,0,1,0|2,0,0]=4 150 B6R0.7 CC(C)(C)[S@@](N)=O AM62767 [1,0,0,0,1,0|2,0,0]=4 151 B6R0.7 CC(C)(N)C(=O)O AM20100517 [1,0,0,0,1,0|2,0,0]=4 152 B6R0.7 CC(C)(N)C(N)=O AMY20154 [1,0,0,0,1,0|2,0,0]=4 153 B6R0.7 CC(C)C(C)(C)C AMY31971 [1,0,0,0,1,0|1,0,1]=4 154 B6R0.7 C[SiH](C)C(C)(C)C AMY42267 [1,0,0,0,1,0|1,1,0]=4 155 B8R0.29 CC(=O)C#C[Si](C)(C)C AMY39431 [1,0,0,0,0,1|0,1,1]=4 156 B8R0.29 CC(=O)CSC(C)(C)C AMY32434 [1,0,0,0,0,1|0,0,0]=2 157 B8R0.29 CC(C)(C)NCC(=O)Cl AM20090700 [1,0,0,0,0,1|1,0,0]=3 158 B8R0.29 CC(C)(C)NCC(=O)O AM20090715 [1,0,0,0,0,1|1,0,0]=3 159 B8R0.29 CC(C)(C)OCC(=O)O AMY11484 [1,0,0,0,0,1|1,0,0]=3 160 B8R0.29 C[C@H](O)CNC(C)(C)C AMY19356 [1,0,0,0,0,1|0,0,2]=4