0 B9R0.19 CCOC(=O)C(C)(C)C#N AM807076 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.19 CCOC(=O)C(C)(C)CN AMY19414 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 CCCC(=O)N(C)OC AM90018 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.3 CCOC(=O)C(N)C#N AM807974 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.3 CCOC(=O)N(C)N=O AMY41354 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)[C@@H](Cl)C=O AMY10622 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.13 CCC(=O)C(C)(C)C=O AM20120716 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.13 COC(=O)C(F)(F)CBr AMY18660 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.14 CC(C)(C)C(=O)OCI AMY13386 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.14 CCOC(=O)C(C)(F)F AMY1269 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.14 CCOC(=O)C(F)(F)Br AMY3632 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.14 CCOC(=O)C(F)(F)Cl AMY3630 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.14 CCOC(=O)C(F)(F)F AMY395 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.14 CCOC(=O)C(F)(F)I AMY37181 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl AMY7775 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.36 CCOC(=O)C(C)(C)C(=O)O AM20080708 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.36 CCOC(=O)C(F)(F)C(C)=O AM20080913 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.129 C=CCC(F)(F)C(=O)OCC AM20120640 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.401 CCOC(=O)C1(Br)CCC1 AMY23810 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.405 CCOC(=O)C1(C#N)CC1 AM84510 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.405 CCOC(=O)C1(CO)CC1 AM803789 [0,0,0,1,0,0|2,0,0]=3 33 B7R0.3 CCOC[C@@H](O)CO AMY318 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.5 CC(C)C(=O)OCCl AMY4056 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.5 CCOC(=O)C(C)=O AMY40824 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.5 CCOC(=O)C(F)F AM20100159 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 CCOC(=O)N(C)C AMY39284 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.7 C=C(OCC)OCC AM9861 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.7 C=CCC(=O)OCC AMY30553 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.7 CC#CC(=O)OCC AM86969 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.7 CCCC(=O)CCC AMY3807 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 CCNC(=O)NCC AMY25735 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCOC(=O)CC=O AMY18659 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.7 CCOC(=O)CCN AM803889 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CCO AMY20483 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCOC(=O)CNC AM82644 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.7 CCOC(=O)CNC AMY3815 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CNN AM20100649 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.7 CCOC(=O)COC AMY3969 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.7 CCOC(=O)CSC AMY33462 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.7 CCOC(=O)OCC AMY11101 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCOC(=O)OCCl AMY14438 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.7 CCOS(=O)OCC AMY17996 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.10 CCC(=O)N(C)OC AM90011 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 CCN(C)C(=O)CBr AM803019 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [2,0,0,0,0,0|0,0,0]=2 65 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.13 CC(C)(CN)C(=O)O AMY286 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.13 CC(C)(CO)C(=O)O AM90214 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.13 CCC(F)(F)C(=O)O AMY6073 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.13 C[C@](Br)(CBr)C(=O)O AMY799 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.14 CC(C)(O)C(=O)NN AMY31454 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.14 COC(=O)C(C)(Br)Br AMY36996 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.14 COC(=O)C(C)(C)N AM20080383 [2,0,0,0,0,0|1,0,0]=3 95 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br AMY202100100 [1,1,0,0,0,0|0,0,2]=4 96 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O AM87094 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C AM20100480 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O AM20100481 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O AMY40194 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AM84482 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O AM9786 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.6 CCOC(=O)[C@@H](N)C(C)C AM82372 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.6 CCOC(=O)[C@@H](N)C(C)C AM82373 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.8 C=CCOC(=O)[C@H](C)NC AM9086 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.35 C=CC[C@H](C)C(=O)OCC AMY40441 [1,1,0,0,0,0|0,0,1]=3 106 B9R0.35 CCOC(=O)C(=O)OCC AMY37179 [1,1,0,0,0,0|0,0,2]=4 107 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.37 CCC(CC)C(=O)OCCl AMY39888 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.28 COC(=O)C(C)(C)C(C)=O AMY20531 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.10 CC(C)OC(=O)C(C)(C)Br AM90216 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.10 CC(C)OC(=O)C(C)(C)Cl AM806596 [1,1,0,0,0,0|1,0,0]=3 112 B11R0.322 CC(C)(C)OC(=O)C(C)(C)CN AMY26879 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.240 C=C(Cl)CC(C)(C)C(=O)OCC AM803014 [0,2,0,0,0,0|1,0,1]=4 114 B11R0.247 CCCCC(F)(F)C(=O)OCC AMY7143 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.3 CC1OCCC(=O)C1C AMY6076 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.73 CCOC(=O)C1CCC1 AM20070593 [1,0,0,1,0,0|0,0,0]=2 121 B9R1.73 CCOC(=O)C1CNC1 AM20100083 [1,0,0,1,0,0|1,0,0]=3 122 B9R1.73 CCOC(=O)C1CNC1 AM85915 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.73 CCOC(=O)[C@@H]1CCN1 AMY6563 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.74 CCOC(=O)C1(C)CC1 AM85886 [1,0,0,1,0,0|0,0,0]=2 125 B9R1.74 CCOC(=O)C1(N)CC1 AM20100121 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.74 CCOC(=O)C1(N)CC1 AMY30774 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.74 CCOC(=O)C1(O)CC1 AMY35228 [1,0,0,1,0,0|0,0,0]=2 128 B9R1.183 CCOC(=O)C1CC1F AMY5885 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F AMY5677 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.40 CC1(C)CNCCC1=O AMY37722 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.40 CC1(C)COCCC1=O AMY6085 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.190 COC(=O)C1(CBr)CC1 AMY38426 [1,0,0,1,0,0|2,0,0]=4 133 B11R1.840 CCOC(=O)CC1(N)COC1 AMY34094 [0,0,0,1,0,1|2,0,0]=4 134 B11R1.840 CCOC(=O)CC1(O)COC1 AMY35231 [0,0,0,1,0,1|1,0,0]=3 135 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 AMY3939 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.979 C[C@]1(F)C(=O)O[C@H](CO)[C@H]1O AMY13561 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.979 C[C@]1(O)C(=O)O[C@H](CO)[C@H]1O AMY819 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 AMY35229 [0,1,0,1,0,0|1,0,1]=4 139 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 AMY35758 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC AMY19059 [0,1,0,1,0,0|1,0,1]=4 141 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC AMY36894 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.831 CCOC(=O)C1(C#N)CCC1 AMY15971 [0,1,0,1,0,0|1,0,0]=3 143 B11R1.831 CCOC(=O)C1(CN)CCC1 AMY15972 [0,1,0,1,0,0|1,0,0]=3 144 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [1,0,0,0,0,1|1,0,0]=3 145 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [1,0,0,0,0,1|1,0,0]=3 146 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [1,0,0,0,0,1|1,0,0]=3 147 B9R0.44 CCNC(=O)OC(C)(C)C AMY31372 [1,0,0,0,0,1|2,0,0]=4 148 B9R0.44 CCOC(=O)CC(C)(C)N AM804417 [1,0,0,0,0,1|1,0,0]=3 149 B9R0.44 CCOC(=O)CC(C)(C)O AMY19443 [1,0,0,0,0,1|0,0,0]=2 150 B9R0.44 CCOC(=O)C[Si](C)(C)C AMY42247 [1,0,0,0,0,1|1,1,0]=4