0 B10R0.2 CCC\C(N)=C\C(=O)OCC AMY39750 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 CCOC(=N)CC(=O)OCC AMY32481 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.2 CCOC(=O)CC(=O)OCC AMY37124 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCOC(=O)C[C@H](O)CC#N AM84382 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.2 CCOC(=O)\C=C(/N)OCC AM10152 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCOC(=O)CCCC=O AM85359 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.5 CCOC(=O)CCCCBr AM20080354 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCO\C=C\C(=O)OCC AMY9319 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.5 CCO\N=C\C(=O)OCC AMY13649 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.34 CCOC(=O)CC(=O)CBr AM807438 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.34 CCOC(=O)CC(=O)NC AM85887 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.34 COCC(=O)CC(=O)OC AMY38262 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.1 CCOC(=O)CC(=O)CC(C)C AM20090520 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.177 CCOC(=O)C(Br)C(=O)OCC AMY4081 [0,1,0,0,0,0|1,0,2]=4 17 B11R0.177 CCOC(=O)C(C)C(=O)OCC AMY4051 [0,1,0,0,0,0|1,0,2]=4 18 B11R0.177 CCOC(=O)C(F)C(=O)OCC AM20100635 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.177 CCOC(=O)C(N)C(=O)OCC AMY10715 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.30 CCOC(=O)C=C1CCCC1 AMY32158 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.30 CCOC(=O)C[C@@H]1CCNC1 AMY21779 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.30 CCOC(=O)C[C@H]1CCNC1 AM101817 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.30 CCOC(=O)C[C@H]1CCNC1 AM91882 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.112 CCOC(=O)[C@@H]1C[C@H]1CC#N AMY35270 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.112 CCOC(=O)[C@H]1C[C@H]1CC#N AMY35223 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.199 CCOC(=O)[C@@H]1CCCC1=O AM20100487 [0,0,0,1,0,0|0,0,2]=3 27 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N AMY14675 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O AMY10123 [0,0,0,1,0,0|1,0,2]=4 29 B11R1.199 CCOC(=O)[C@@H]1CSCC1=O AMY32120 [0,0,0,1,0,0|1,0,2]=4 30 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AMY14678 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.201 CCOC(=O)CC1CC(O)C1 AMY34090 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.334 CCOC(=O)CC(=O)C1CC1 AM20090284 [0,0,0,1,0,0|0,0,2]=3 33 B11R1.840 CCOC(=O)CC1(N)COC1 AMY34094 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.840 CCOC(=O)CC1(O)COC1 AMY35231 [0,0,0,1,0,0|1,0,0]=2 35 B9R0.35 C=CC[C@H](C)C(=O)OCC AMY40441 [0,0,0,0,1,0|1,0,2]=4 36 B9R0.35 CCOC(=O)C(=O)OCC AMY37179 [0,0,0,0,1,0|1,0,2]=4 37 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [0,0,0,0,1,0|2,0,0]=3 38 B8R0.1 C=CCCC(=O)OCC AMY3888 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.1 CCC#CC(=O)OCC AMY1274 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.1 CCOC(=O)CCCBr AM84904 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.1 CCOC(=O)CCCN AM808169 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CCOC(=O)CCCO AMY4323 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.1 CCOCC(=O)OCC AMY4116 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.6 CCCCNC(=O)CCl AM20100314 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCNCCC(=O)OC AMY20543 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.6 COC(=O)CCCCBr AM20120637 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.5 CCOC(=O)CN(C)C AMY3944 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [2,0,0,0,0,0|0,0,0]=2 56 B10R0.1 CCOC(=O)CCCCC=O AM85368 [1,1,0,0,0,0|0,0,1]=3 57 B10R0.1 CCOC(=O)CCCCCBr AMY18076 [1,1,0,0,0,0|0,0,0]=2 58 B10R0.1 CCOC(=O)CCCCCO AMY38458 [1,1,0,0,0,0|0,0,0]=2 59 B10R0.3 CCOC(=O)CCCC(=O)Cl AMY3999 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.3 CCOC(=O)CCCC(=O)O AMY3769 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.19 CCCCC(=O)C(=O)OCC AM85828 [1,1,0,0,0,0|0,0,1]=3 62 B10R0.19 CCOC(=O)[C@@H](N)CCCN AM82631 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.19 CCOC(=O)[C@@H](N)CCSC AM81985 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.19 CCOC(=O)[C@@H](N)CCSC AM81986 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.83 CCCCOC(=O)[C@@H](O)CC AMY32055 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.91 C#CCOC(=O)NCCCC AMY38451 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.108 CCOC(=O)CN[C@@H](C)CC AMY4118 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.35 CCOC(=O)[C@@H](Cl)C(=O)CC AMY32491 [1,1,0,0,0,0|0,0,2]=4 69 B10R0.35 CCOC(=O)[C@@H](F)C(=O)CC AM62557 [1,1,0,0,0,0|0,0,2]=4 70 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC AMY28715 [1,1,0,0,0,0|1,0,0]=3 71 B10R0.46 COC(=O)C[C@H](O)C(=O)OC AM81421 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.32 CCOC(=O)C(=O)CC(C)C AM85684 [0,1,0,0,1,0|0,0,2]=4 73 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C AM81878 [0,1,0,0,1,0|1,0,0]=3 74 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C AM81879 [0,1,0,0,1,0|1,0,0]=3 75 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C AMY22057 [0,1,0,0,1,0|0,0,0]=2 76 B12R0.101 CCCC[C@H](C)CCC(=O)OCC AMY40797 [0,1,0,0,0,1|1,0,0]=3 77 B12R0.22 CCOC(=O)CC(OCC)OCC AM20080007 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.11 CCOC(=O)C1=CCCC1 AM802851 [1,0,0,1,0,0|0,0,2]=4 79 B10R1.11 CCOC(=O)C1SCCS1 AMY774 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.11 CCOC(=O)[C@@H]1CCCN1 AM82198 [1,0,0,1,0,0|1,0,0]=3 81 B10R1.11 CCOC(=O)[C@@H]1CCCN1 AM82199 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.11 CCOC(=O)[C@@H]1CCCO1 AM9878 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.11 CCOC(=O)[C@@H]1CCNC1 AMY20462 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.11 CCOC(=O)[C@@H]1CSCN1 AMY3299 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.11 CCOC(=O)[C@H]1CCNC1 AM20100791 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.11 CCOC(=O)[C@H]1CCNC1 AMY14721 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.78 O=C1CCCCCCCC1 AM20090511 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.135 CCOC(=O)C1CC1C#N AMY35239 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N AMY35200 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.137 CCOC(=O)C=C1CCC1 AMY40990 [1,0,0,1,0,0|0,0,2]=4 91 B10R1.137 CCOC(=O)CC1COC1 AM20020010 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.197 CCN1CCNC(=O)CC1 AMY13614 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.27 COC(=O)CC1CCCC1 AM20090339 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.27 COC(=O)C[C@@H]1CCCN1 AMY2479 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.27 COC(=O)C[C@H]1CCCN1 AMY2498 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.27 COC(=O)C[C@H]1CCNC1 AM101738 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.134 COC(=O)CC(=O)C1CC1 AM20090465 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.149 COC(=O)C1CCCC1O AM20120344 [1,0,0,1,0,0|0,0,0]=2 99 B10R1.149 COC(=O)[C@@H]1CCCC1=O AM20070696 [1,0,0,1,0,0|0,0,2]=4 100 B10R1.7 O=C1NCCCCC[C@@H]1Cl AMY2428 [0,0,0,1,1,0|2,0,0]=4 101 B10R1.140 CCOC(=O)C1CC(Br)C1 AMY35244 [0,0,0,1,1,0|2,0,0]=4 102 B10R1.140 CCOC(=O)C1CC(F)C1 AM85606 [0,0,0,1,1,0|2,0,0]=4 103 B10R1.140 CCOC(=O)C1CC(N)C1 AMY32164 [0,0,0,1,1,0|2,0,0]=4 104 B10R1.140 CCOC(=O)C1CC(O)C1 AM20070597 [0,0,0,1,1,0|2,0,0]=4 105 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 AMY16052 [0,0,0,1,1,0|2,0,0]=4 106 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 AMY34462 [0,0,0,1,1,0|2,0,0]=4 107 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 AMY16053 [0,0,0,1,1,0|2,0,0]=4 108 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 AMY34111 [0,0,0,1,1,0|2,0,0]=4 109 B10R1.401 CCOC(=O)C1(Br)CCC1 AMY23810 [0,0,0,1,1,0|1,0,0]=3 110 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 AMY10882 [0,0,0,1,0,1|0,0,2]=4 111 B12R1.17 CCOC(=O)[C@H]1CCCN(C)C1 AM20100265 [0,0,0,1,0,1|2,0,0]=4 112 B12R1.17 CCOC(=O)[C@H]1CCCN(N)C1 AM20120361 [0,0,0,1,0,1|2,0,0]=4 113 B12R1.31 CCOC(=O)CN1CC[C@H](N)C1 AM91443 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.31 CCOC(=O)C[C@H]1CCC(=O)C1 AMY26507 [0,1,0,1,0,0|1,0,1]=4 115 B12R1.521 CCOC(=O)CC(=O)CC1CC1 AM20100556 [0,1,0,1,0,0|0,0,2]=4 116 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F AMY5881 [0,1,0,1,0,0|0,0,2]=4 117 B12R1.32 CCOC(=O)CC1CCNCC1 AM20090018 [0,1,0,1,0,0|1,0,0]=3 118 B12R1.32 CCOC(=O)CC1CCNCC1 AM20100441 [0,1,0,1,0,0|1,0,0]=3 119 B12R1.32 CCOC(=O)CC1CCOCC1 AMY38620 [0,1,0,1,0,0|1,0,0]=3 120 B12R1.32 CCOC(=O)CN1CCNCC1 AMY3051 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.32 CCOC(=O)CN1CCOCC1 AMY20473 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 AMY9140 [0,1,0,1,0,0|1,0,0]=3 123 B12R1.32 CCOC(=O)NC1CCNCC1 AM85345 [0,1,0,1,0,0|2,0,0]=4 124 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O AM20070533 [0,1,0,1,0,0|0,0,2]=4 125 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C AM20090432 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N AMY14674 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O AM807221 [0,1,0,1,0,0|0,0,2]=4 128 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O AMY20486 [0,1,0,1,0,0|0,0,2]=4 129 B12R1.308 CCOC(=O)[C@@H]1CCOCC1=O AMY25239 [0,1,0,1,0,0|0,0,2]=4 130 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O AM804222 [0,1,0,1,0,0|0,0,2]=4 131 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O AMY12129 [0,1,0,1,0,0|0,0,2]=4 132 B12R1.308 CCOC(=O)[C@@H]1CSCCC1=O AMY26525 [0,1,0,1,0,0|0,0,2]=4 133 B12R1.519 CCOC(=O)CC(=O)C1CCC1 AMY351 [0,1,0,1,0,0|0,0,2]=4 134 B12R1.2053 CCOC(=O)CC1(C#N)COC1 AMY35230 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.1479 CCOC(=O)C1[C@H]2CNC[C@@H]12 AMY19586 [0,0,0,2,0,0|2,0,0]=4 136 B12R2.1469 CCOC(=O)C12CNCC1C2 AMY35243 [0,0,0,2,0,0|2,0,0]=4 137 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [1,0,0,0,1,0|1,0,0]=3 138 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [1,0,0,0,1,0|2,0,0]=4 139 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [1,0,0,0,1,0|0,0,2]=4 140 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [1,0,0,0,1,0|2,0,0]=4 141 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [1,0,0,0,1,0|2,0,0]=4 142 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [1,0,0,0,1,0|2,0,0]=4 143 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [1,0,0,0,1,0|2,0,0]=4 144 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [1,0,0,0,1,0|2,0,0]=4 145 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [1,0,0,0,1,0|2,0,0]=4 146 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [1,0,0,0,1,0|2,0,0]=4