0 B7R0.18 CCC(N)(CO)CO AMY14264 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.18 NC(CO)(CO)CO AM90366 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.8 CC(C)(CCl)CCl AMY32075 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.8 CC(C)(CI)CI AMY32061 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.8 CC(C)(CN)CO AMY14344 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.8 CC(C)(CO)CCl AMY42053 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.8 CC(C)(CO)CO AMY25552 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.8 CC(N)(CO)CO AMY14265 [1,0,0,0,0,0|0,0,0]=1 8 B6R0.8 CC[C@](C)(N)CN AMY40943 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.8 CC[C@](C)(O)CN AMY24170 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 CNC(C)(C)CO AM85695 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 COC(C)(C)CO AM90075 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.8 NCC(F)(F)CO AMY14719 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.8 OCC(F)(F)CO AMY7075 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.9 CCC(CO)CO AM10034 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.9 OCC(CO)CO AM20100186 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.10 CCC(CO)(CO)CO AMY25779 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.10 OCC(CBr)(CBr)CBr AM20080388 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.10 OCC(CO)(CBr)CBr AMY3940 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.10 OCC(CO)(CO)CO AMY40485 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.36 CC(CO)(CO)C(=O)O AM20100192 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.36 O=[N+]([O-])C(Br)(CO)CO AMY8948 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.52 C[C@]1(CN)CCOC1 AMY33684 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.52 NCC1(N)CCCC1 AMY40946 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.52 OC[C@]1(O)CCNC1 AM97514 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.60 BrCC1(CBr)COC1 AMY1811 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.60 CCC1(CO)COC1 AMY32104 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.60 CNC1(CO)COC1 AMY33752 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.60 ClCC1(CBr)COC1 AM20020033 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.60 ClCC1(CCl)COC1 AM20020047 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.60 ClCC1(CI)COC1 AM20020034 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.60 FCC1(CF)COC1 AM20020032 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.60 NCC1(CO)CCC1 AM20070606 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.60 NCC1(CO)COC1 AM20020037 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.60 NCC1(CO)COC1 AMY34491 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.60 NCC1(CO)COC1 AMY34492 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.60 OCC1(CBr)COC1 AM20020023 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.60 OCC1(CO)CCC1 AMY37376 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.60 OCC1(CO)COC1 AM20020028 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.64 OCC1(CO)C[C@@H]1F AMY5754 [0,0,0,1,0,0|2,0,0]=3 42 B5R0.3 C=C(CO)CO AM20090550 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.3 C=C[C@H](N)CO AMY14650 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.3 CC(CBr)CBr AMY21213 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 CC(CI)CI AMY32062 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CCC(N)CC AMY4054 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CC[C@@H](N)CO AM85835 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.3 CC[C@@H](O)CN AMY6653 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 CC[C@@H](O)CO AMY40578 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.3 CC[C@H](C)CBr AMY28688 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CC[C@H](N)CO AM85834 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.3 CC[C@H](N)CO AM85988 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 CC[C@H](O)CO AMY40584 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.3 C[C@@H](CO)CBr AMY14347 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 NC(CO)CO AM20100310 [2,0,0,0,0,0|0,0,0]=2 56 B5R0.3 NCC(O)CN AM20100500 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 NC[C@H](F)CO AMY34391 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 NC[C@H](O)CCl AMY31075 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 NC[C@H](O)CO AM20100501 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.3 NC[C@H](O)CO AM20100602 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.3 NC[C@H](O)CO AMY18546 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.3 OC[C@H](Br)CBr AMY25826 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 OC[C@H](O)CCl AM81448 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.3 OC[C@H](O)CCl AM81449 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 OC[C@H](O)CCl AMY21866 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.4 C#CC(C)(C)N AMY19729 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.4 CC(C)(C)CBr AMY020 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.4 CC(C)(C)CCl AMY1168 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CC(C)(C)CI AMY25581 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CC(C)(C)CN AMY5183 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.4 CC(C)(C)CO AMY18878 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.4 CC(C)(N)C#N AM20090129 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.4 CC(C)(N)CN AMY14283 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.4 CC(C)(N)CO AMY25550 [2,0,0,0,0,0|0,0,0]=2 75 B5R0.4 CC(C)(O)CCl AMY10400 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.4 CC(C)(O)CN AM20090364 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.4 CC(F)(F)CO AMY1243 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.4 CCC(C)(C)O AMY11089 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.4 CCC(C)(C)[O-] AMY33539 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.4 CP(C)(=O)CO AM10876 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.4 C[Si](C)(C)CO AMY36454 [2,0,0,0,0,0|1,1,0]=4 82 B7R0.11 CCCC(C)(C)CO AM20120588 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.13 CC(C)(CO)C(=O)O AM90214 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.12 CCCC(CO)CO AMY36979 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.12 CCN[C@@H](CC)CO AM807033 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.78 CCC(CO)(CO)C(=O)O AM90355 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.78 CCC(CO)(CO)N(C)C AMY14248 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.78 O=C(O)C(CO)(CO)CO AMY600 [0,2,0,0,0,0|1,0,0]=3 92 B7R1.14 CC1(N)CCCC1 AM808157 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.25 CC1(CBr)COC1 AM20020048 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.25 CC1(CCl)COC1 AM20020049 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.25 CC1(CI)COC1 AM20020007 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.25 CC1(CN)COC1 AM20020018 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.25 CC1(CO)COC1 AM20020031 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.25 C[C@]1(CO)CCN1 AMY35790 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.25 NC1(CF)COC1 AMY35821 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.25 NCC1(F)COC1 AMY33683 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.25 NCC1(N)CCC1 AMY6115 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.25 NCC1(N)COC1 AMY34775 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.25 OCC1(F)CNC1 AMY14763 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.25 OCC1(F)CNC1 AMY14764 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.25 OCC1(F)COC1 AMY38464 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.29 NCC1(CO)CC1 AMY21059 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.29 OCC1(CF)CC1 AM806545 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.1 IC[C@H]1CCOC1 AMY33647 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.1 NC[C@H]1CCOC1 AM20070698 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 NC[C@H]1CCOC1 AM20070699 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 NC[C@H]1CCOC1 AM20080467 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.1 NC[C@H]1CCOC1 AM20090079 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 OCC1CCCC1 AM20090579 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.1 OC[C@H]1CCNC1 AM20080050 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 OC[C@H]1CCNC1 AM20100247 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 OC[C@H]1CCNC1 AMY20013 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 OC[C@H]1CCOC1 AM20080182 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.1 OC[C@H]1CCOC1 AM20080421 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.1 OC[C@H]1CCOC1 AMY23730 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.204 NCC1(CO)CCCC1 AMY21201 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.204 OCC1(CO)CCCC1 AM20100412 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.118 NC1(CO)CCOCC1 AM20100686 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.134 COCC1(N)CCCC1 AMY38197 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.175 CCC1(CCO)COC1 AMY32103 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.175 N#CCC1(CO)COC1 AM20020036 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.163 N[C@@]1(C(=O)O)CCOC1 AM91458 [0,1,0,1,0,0|1,0,1]=4