0 B8R1.2 BrCC1CCCCC1 AM83288 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1CCNCC1 AM101156 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1CCNCC1 AM90776 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 BrCC1CCNCC1 AMY20339 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 BrCC1CCOCC1 AM20080196 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 BrC[C@H]1CNCCN1 AM81377 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 C#CC1CCCCC1 AMY1266 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 C#CC1CCNCC1 AMY33844 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 C#CC1CCOCC1 AM20080147 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 C#C[C@H]1CCCNC1 AMY4285 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 CCC1CCNCC1 AM803694 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CCN1CCCCC1 AMY23165 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 CCN1CCNCC1 AM81362 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 CNC1CCCCC1 AM802809 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 CNC1CCNCC1 AM20100166 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 CNC1CCNCC1 AM98000 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 CNC1CCNCC1 AMY3391 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 CNC1CCOCC1 AM20090215 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 COC1CCNCC1 AM20100080 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 COC1CCNCC1 AM9912 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 CSC1CCNCC1 AM20090171 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.2 ClCC1CCNCC1 AM100418 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 ClCC1CCNCC1 AM100986 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 ClCC1OCCCO1 AM81012 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 ClCN1CCOCC1 AM85613 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.2 ICC1CCNCC1 AM100873 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 ICC1CCNCC1 AM94101 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 ICC1CCOCC1 AM20070671 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,0,0,0,0,0|2,0,2]=4 59 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,0,0,0,0,0|1,0,3]=4 60 B8R1.2 N#CC1CCCCC1 AM20070512 [0,0,0,0,0,0|2,0,1]=3 61 B8R1.2 N#CC1CCNCC1 AM81180 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.2 N#CC1CCNCC1 AMY4410 [0,0,0,0,0,0|3,0,1]=4 63 B8R1.2 N#CC1CCOCC1 AM20100133 [0,0,0,0,0,0|3,0,1]=4 64 B8R1.2 N#CC1CCSCC1 AMY10287 [0,0,0,0,0,0|3,0,1]=4 65 B8R1.2 N#C[C@@H]1CCCNC1 AMY34413 [0,0,0,0,0,0|3,0,1]=4 66 B8R1.2 N#C[C@@H]1CNCCN1 AM803423 [0,0,0,0,0,0|3,0,1]=4 67 B8R1.2 N#C[C@H]1CCCNC1 AM804318 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.2 NCC1CCCCC1 AM803690 [0,0,0,0,0,0|2,0,0]=2 69 B8R1.2 NCC1CCNCC1 AMY3390 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.2 NCC1CCOCC1 AM20080212 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.2 NCC1CCOCC1 AM803826 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.2 NCC1CCSCC1 AMY35633 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,0,0,0,0,0|1,0,0]=1 75 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.2 NNC1CCCCC1 AM803671 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.2 NNC1CCCCC1 AM9784 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.2 NNC1CCCCC1 AMY18126 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.2 NNC1CCNCC1 AM9811 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.2 NNC1CCOCC1 AM803017 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.2 NN[C@H]1CCCNC1 AM9839 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.2 NOC1CCCCC1 AMY27644 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,0,0,0,0,0|2,0,0]=2 87 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,0,0,0,0,0|1,0,3]=4 88 B8R1.2 O=CC1CCCCC1 AM83285 [0,0,0,0,0,0|1,0,2]=3 89 B8R1.2 O=CC1CCNCC1 AM100891 [0,0,0,0,0,0|2,0,2]=4 90 B8R1.2 O=CC1CCNCC1 AM90778 [0,0,0,0,0,0|2,0,2]=4 91 B8R1.2 O=CC1CCNCC1 AM98195 [0,0,0,0,0,0|2,0,2]=4 92 B8R1.2 O=CC1CCOCC1 AM1035 [0,0,0,0,0,0|2,0,2]=4 93 B8R1.2 O=CN1CCCCC1 AMY3400 [0,0,0,0,0,0|2,0,2]=4 94 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,0,0,0,0,0|1,0,2]=3 95 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,0,0,0,0,0|1,0,2]=3 96 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,0,0,0,0,0|2,0,2]=4 97 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,0,0,0,0,0|2,0,2]=4 98 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,0,0,0,0,0|2,0,2]=4 99 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,0,0,0,0,0|2,0,2]=4 100 B8R1.2 OCC1CCCCC1 AM20070443 [0,0,0,0,0,0|1,0,0]=1 101 B8R1.2 OCC1CCNCC1 AM20100583 [0,0,0,0,0,0|2,0,0]=2 102 B8R1.2 OCC1CCOCC1 AM20080366 [0,0,0,0,0,0|2,0,0]=2 103 B8R1.2 OCC1CCSCC1 AMY3090 [0,0,0,0,0,0|2,0,0]=2 104 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,0,0,0,0,0|1,0,0]=1 105 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,0,0,0,0,0|1,0,0]=1 106 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,0,0,0,0,0|2,0,0]=2 107 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,0,0,0,0,0|0,0,2]=2 109 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,0,0,0,0,0|1,0,0]=1 110 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,0,0,0,0,0|0,0,0]=0 111 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,0,0,0,0,0|2,0,0]=2 112 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,0,0,0,0,0|2,0,0]=2 113 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,0,0,0,0,0|2,0,0]=2 114 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,0,0,0,0,0|2,0,0]=2 115 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,0,0,0,0,0|1,0,0]=1 116 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,0,0,0,0,0|1,0,0]=1 117 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,0,0,0,0,0|1,0,0]=1 118 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,0,0,0,0,0|1,0,0]=1 119 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,0,0,0,0,0|2,0,0]=2 120 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,0,0,0,0,0|2,0,0]=2 121 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,0,0,0,0,0|2,0,0]=2 122 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,0,0,0,0,0|2,0,0]=2 123 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,0,0,0,0,0|1,0,0]=1 124 B8R1.2 ON=C1CCOCC1 AMY19185 [0,0,0,0,0,0|3,0,1]=4 125 B8R1.2 ON=C1CCSCC1 AMY10286 [0,0,0,0,0,0|3,0,1]=4 126 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,0,0,0|2,0,1]=4 127 B7R1.3 BrC1CCNCC1 AM101554 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.3 BrC1CCNCC1 AM20100339 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.3 BrC1CCNCC1 AM90402 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.3 BrC1CCOCC1 AM90079 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [1,0,0,0,0,0|2,0,1]=4 132 B7R1.3 Br[C@H]1CCCNC1 AM100929 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 Br[C@H]1CCCNC1 AM90468 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,0,0,0|1,0,2]=4 136 B7R1.3 CC1=CCNCC1 AMY33784 [1,0,0,0,0,0|2,0,1]=4 137 B7R1.3 CC1=CCOCC1 AMY5953 [1,0,0,0,0,0|2,0,1]=4 138 B7R1.3 CC1=COCCC1 AMY6007 [1,0,0,0,0,0|2,0,1]=4 139 B7R1.3 CC1CCNCC1 AMY23280 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.3 CC1CCOCC1 AMY6168 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.3 CC1SCCCS1 AMY24701 [1,0,0,0,0,0|1,1,0]=3 142 B7R1.3 CN1CCCCC1 AM20100531 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.3 CN1CCNCC1 AM81360 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.3 CN1CCOCC1 AMY14818 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [1,0,0,0,0,0|1,0,0]=2 146 B7R1.3 C[C@@H]1COCCN1 AMY21764 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,0,0,0|0,0,2]=3 148 B7R1.3 C[C@H]1CCCCN1 AM20080042 [1,0,0,0,0,0|1,0,0]=2 149 B7R1.3 C[C@H]1CCCCN1 AM81342 [1,0,0,0,0,0|1,0,0]=2 150 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.3 C[C@H]1CNCCN1 AM20080043 [1,0,0,0,0,0|2,0,0]=3 154 B7R1.3 C[C@H]1CNCCN1 AM81347 [1,0,0,0,0,0|2,0,0]=3 155 B7R1.3 C[C@H]1CNCCN1 AM81348 [1,0,0,0,0,0|2,0,0]=3 156 B7R1.3 C[C@H]1CNCCO1 AM20090347 [1,0,0,0,0,0|1,0,0]=2 157 B7R1.3 C[C@H]1CNCCO1 AM85055 [1,0,0,0,0,0|1,0,0]=2 158 B7R1.3 C[C@H]1CNCCO1 AMY21629 [1,0,0,0,0,0|1,0,0]=2 159 B7R1.3 C[C@H]1CNCCO1 AMY9349 [1,0,0,0,0,0|1,0,0]=2 160 B7R1.3 C[C@H]1COCCN1 AM20100118 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.3 C[C@H]1COCCN1 AM803755 [1,0,0,0,0,0|2,0,0]=3 162 B7R1.3 C[C@H]1COCCN1 AM804311 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.3 C[C@H]1COCCN1 AM806455 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.3 C[C@H]1COCCN1 AMY22799 [1,0,0,0,0,0|2,0,0]=3 165 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,0,0,0|2,0,1]=4 166 B7R1.3 ClC1CCCCC1 AM90219 [1,0,0,0,0,0|2,0,0]=3 167 B7R1.3 ClC1CCNCC1 AM100920 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.3 ClC1CCNCC1 AM20100323 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.3 ClC1CCOCC1 AM794 [1,0,0,0,0,0|3,0,0]=4 170 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [1,0,0,0,0,0|3,0,0]=4 171 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [1,0,0,0,0,0|3,0,0]=4 172 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [1,0,0,0,0,0|3,0,0]=4 173 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.3 FC1CCNCC1 AM20100405 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.3 FC1CCOCC1 AM100580 [1,0,0,0,0,0|3,0,0]=4 176 B7R1.3 F[C@H]1CCCNC1 AM20080116 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.3 IC1CCNCC1 AM101380 [1,0,0,0,0,0|3,0,0]=4 178 B7R1.3 IC1CCNCC1 AM94352 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.3 IC1CCOCC1 AM20090312 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.3 NC1CCCCC1 AM802905 [1,0,0,0,0,0|2,0,0]=3 181 B7R1.3 NC1CCNCC1 AM85323 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.3 NC1CCNCC1 AM85335 [1,0,0,0,0,0|3,0,0]=4 183 B7R1.3 NC1CCOCC1 AM20090495 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.3 NC1CCOCC1 AM20100013 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.3 NC1CCOCC1 AM669 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.3 NC1CCSCC1 AMY32230 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.3 NC1CCSCC1 AMY3238 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.3 NN1CCCCC1 AM85332 [1,0,0,0,0,0|3,0,0]=4 189 B7R1.3 NN1CCCCC1 AM85348 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.3 N[C@@H]1CCCNC1 AMY258 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.3 N[C@@H]1CNCCN1 AM81376 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.3 N[C@H]1CCCNC1 AM20090507 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 N[C@H]1CCCNC1 AM20090508 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 N[C@H]1CCCNC1 AM81346 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 N[C@H]1CCCNC1 AMY19293 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.3 N[C@H]1CCCOC1 AM20080156 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.3 N[C@H]1CCCOC1 AM20120527 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.3 N[C@H]1CCCOC1 AMY34426 [1,0,0,0,0,0|3,0,0]=4 199 B7R1.3 N[C@H]1CCCOC1 AMY41756 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.3 N[C@H]1CCCOC1 AMY5963 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,0,0,0|1,0,2]=4 202 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,0,0,0|1,0,2]=4 203 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,0,0,0|1,0,2]=4 204 B7R1.3 OC1CCNCC1 AM20100322 [1,0,0,0,0,0|2,0,0]=3 205 B7R1.3 OC1CCNCC1 AMY24233 [1,0,0,0,0,0|2,0,0]=3 206 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,0,0,0|2,0,0]=3 207 B7R1.3 OC1CCSCC1 AMY37357 [1,0,0,0,0,0|2,0,0]=3 208 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,0,0,0|1,0,1]=3 209 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [1,0,0,0,0,0|2,0,0]=3 210 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [1,0,0,0,0,0|1,0,0]=2 211 B7R1.3 O[C@H]1CCCNC1 AM101043 [1,0,0,0,0,0|2,0,0]=3 212 B7R1.3 O[C@H]1CCCNC1 AM20090141 [1,0,0,0,0,0|2,0,0]=3 213 B7R1.3 O[C@H]1CCCNC1 AM20100189 [1,0,0,0,0,0|2,0,0]=3 214 B7R1.3 O[C@H]1CCCNC1 AM20100577 [1,0,0,0,0,0|2,0,0]=3 215 B7R1.3 O[C@H]1CCCNC1 AM20100636 [1,0,0,0,0,0|2,0,0]=3 216 B7R1.3 O[C@H]1CCCOC1 AM20090136 [1,0,0,0,0,0|2,0,0]=3 217 B7R1.3 SC1CCCCC1 AMY11243 [1,0,0,0,0,0|1,1,0]=3 218 B7R1.3 SC1CCOCC1 AM100476 [1,0,0,0,0,0|2,1,0]=4 219 B7R1.3 S[C@H]1CCCNC1 AMY35402 [1,0,0,0,0,0|2,1,0]=4 220 B9R1.1 CC1CCC(CBr)CC1 AM806102 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.1 CC1CCC(CN)CC1 AM803728 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.1 CCN1CCC(N)CC1 AMY6025 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 CCN1CCC(O)CC1 AM20090554 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 CN1CCC(CBr)CC1 AM90408 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 CN1CCC(CCl)CC1 AM804001 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.1 CN1CCC(CI)CC1 AM10545 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.1 CN1CCC(CI)CC1 AM95043 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.1 CN1CCC(CN)CC1 AM20100677 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 CN1CCC(CO)CC1 AM20090164 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.1 CNC1CCC(O)CC1 AMY18670 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 AMY34073 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AMY34313 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.1 COC1CCC(N)CC1 AMY32258 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.1 COC1CCC(N)CC1 AMY32279 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY21463 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.1 CO[C@H]1CC[C@H](N)CC1 AMY3261 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.1 N#CC1CCC(O)CC1 AM20070474 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 AMY35195 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.1 NC[C@H]1CC[C@H](O)CC1 AMY34305 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,1,0,0,0,0|1,0,0]=2 242 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,1,0,0,0,0|1,0,0]=2 243 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,0,0,0|1,0,1]=3 244 B9R1.1 O=C1CO[C@@H](CO)CN1 AMY21703 [0,1,0,0,0,0|1,0,1]=3 245 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,1,0,0,0,0|1,0,0]=2 247 B9R1.2 CC1CCCC(CN)C1 AM806484 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.2 CCN1CCC[C@H](O)C1 AM20080247 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.2 CN1CCC[C@H](CBr)C1 AM100805 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.2 CN1CCC[C@H](CCl)C1 AM100910 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.2 CN1CCC[C@H](CI)C1 AM90511 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.2 CN1CCC[C@H](CN)C1 AM20080350 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.2 CN1CCC[C@H](CO)C1 AM20100739 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.2 CN1CCO[C@@H](CN)C1 AM20090086 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.2 CN1CCO[C@@H](CN)C1 AMY14669 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.2 COC1CCCC(O)C1 AMY34868 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 NCC1CCCC(O)C1 AM20070448 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,0,0,0|1,0,1]=3 259 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,0,0,0|1,0,1]=3 260 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,0,0,0|1,0,1]=3 261 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,0,0,0|1,0,1]=3 262 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,1,0,0,0,0|1,0,2]=4 264 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,1,0,0,0,0|1,0,2]=4 265 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21367 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21678 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21372 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21385 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21590 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.6 CC(C)[C@H]1CNCCO1 AMY21677 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.6 CC(C)[C@H]1COCCN1 AMY21780 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.6 C[C@H](N)C1CCCCC1 AM804025 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.6 C[C@H](N)C1CCCCC1 AM81440 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.6 C[C@H](N)C1CCCCC1 AM81441 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.6 FC(F)C1CCNCC1 AM20100744 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.6 FC(F)[C@H]1CCCNC1 AMY7084 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,1,0,0,0,0|1,0,2]=4 278 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,1,0,0,0,0|1,0,2]=4 279 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,1,0,0,0,0|0,0,3]=4 280 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,1,0,0,0,0|1,0,1]=3 281 B9R1.6 O=C(O)C1CCNCC1 AM20100215 [0,1,0,0,0,0|2,0,1]=4 282 B9R1.6 O=C(O)C1CCOCC1 AM1056 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.6 O=C(O)C1CCSCC1 AM804512 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,1,0,0,0,0|1,0,1]=3 285 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,1,0,0,0,0|1,0,1]=3 286 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,1,0,0,0,0|1,0,1]=3 287 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,1,0,0,0,0|1,0,1]=3 288 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,1,0,0,0,0|0,0,1]=2 289 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,1,0,0,0,0|0,0,1]=2 290 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080202 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080424 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20090413 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81366 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81427 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.6 O=C(O)[C@@H]1CNCCO1 AM20090406 [0,1,0,0,0,0|1,0,1]=3 296 B9R1.6 O=C(O)[C@@H]1COCCN1 AM20100777 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.6 O=C(O)[C@@H]1COCCN1 AMY4263 [0,1,0,0,0,0|2,0,1]=4 298 B9R1.6 O=C(O)[C@@H]1CSCCN1 AMY17808 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,1,0,0,0,0|0,0,1]=2 300 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20090295 [0,1,0,0,0,0|2,0,1]=4 301 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20100216 [0,1,0,0,0,0|2,0,1]=4 302 B9R1.6 O=C(O)[C@H]1CCCNC1 AM83087 [0,1,0,0,0,0|2,0,1]=4 303 B9R1.6 O=C(O)[C@H]1CCCNC1 AMY4228 [0,1,0,0,0,0|2,0,1]=4 304 B9R1.6 O=C(O)[C@H]1CCCOC1 AM20110254 [0,1,0,0,0,0|2,0,1]=4 305 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,1,0,0,0,0|2,0,1]=4 306 B9R1.6 O=C(O)[C@H]1CNCCO1 AMY21768 [0,1,0,0,0,0|1,0,1]=3 307 B9R1.6 O=C(O)[C@H]1COCCN1 AMY20002 [0,1,0,0,0,0|2,0,1]=4 308 B9R1.6 O=C(O)[C@H]1COCCN1 AMY21784 [0,1,0,0,0,0|2,0,1]=4 309 B9R1.6 OB(O)C1=CCCCC1 AMY980 [0,1,0,0,0,0|2,0,1]=4 310 B9R1.6 OB(O)C1CCCCC1 AM20070527 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.6 OB(O)C1CCOCC1 AM81124 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.8 BrCCC1CCNCC1 AM90686 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.8 BrCCC1CCOCC1 AM100848 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.8 BrCCN1CCCCO1 AM806071 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.8 BrCC[C@H]1CCCNC1 AM100581 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.8 C#CCN1CCCCC1 AMY23781 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.8 CCNC1CCCCC1 AM20070548 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.8 CCNC1CCNCC1 AM101052 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.8 CCNC1CCOCC1 AM100504 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.8 CCN[C@H]1CCCNC1 AM91373 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.8 CNCC1CCCCC1 AM803595 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.8 CNCC1CCNCC1 AM91484 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.8 CNCC1CCOCC1 AM20100143 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.8 CNCC1CCOCC1 AM806274 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.8 CNC[C@H]1CCCCN1 AM100614 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.8 CNC[C@H]1CCCNC1 AM90573 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.8 COCC1CCNCC1 AM100768 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.8 COCC1CCNCC1 AM20120325 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.8 COC[C@@H]1CCCCN1 AM807049 [0,1,0,0,0,0|1,0,0]=2 331 B9R1.8 COC[C@H]1CCCCN1 AM806273 [0,1,0,0,0,0|1,0,0]=2 332 B9R1.8 COC[C@H]1CCCCN1 AM90528 [0,1,0,0,0,0|1,0,0]=2 333 B9R1.8 COC[C@H]1CCCNC1 AM101145 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.8 COC[C@H]1CCCNC1 AM90790 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.8 ClCCC1CCNCC1 AM90696 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.8 ClCCC1CCOCC1 AM100847 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.8 ClCCN1CCCCC1 AM20090146 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.8 ClCC[C@H]1CCCNC1 AM99496 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.8 ICCC1CCNCC1 AM100793 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.8 ICCC1CCOCC1 AM100845 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.8 ICC[C@H]1CCCNC1 AM97540 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.8 N#CCC1CCNCC1 AMY5584 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.8 N#CCC1CCOCC1 AMY11537 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,1,0,0,0,0|2,0,1]=4 345 B9R1.8 NCCC1CCCCC1 AMY38665 [0,1,0,0,0,0|2,0,0]=3 346 B9R1.8 NCCC1CCNCC1 AM101244 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.8 NCCC1CCNCC1 AMY15188 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.8 NCCC1CCOCC1 AM20100593 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.8 NCCC1CCOCC1 AM803825 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.8 NCCN1CCCCC1 AMY5277 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.8 NCCN1CCCCO1 AM806000 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.8 NCC[C@H]1CCCCN1 AMY21355 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.8 NCC[C@H]1CCCNC1 AM101532 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.8 NNCC1CCCCC1 AMY202003293 [0,1,0,0,0,0|2,0,0]=3 355 B9R1.8 NNCC1CCOCC1 AMY22714 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.8 O=C=NC1CCCCC1 AMY37189 [0,1,0,0,0,0|1,0,2]=4 357 B9R1.8 O=CCC1CCCCC1 AMY24044 [0,1,0,0,0,0|1,0,1]=3 358 B9R1.8 O=CCC1CCOCC1 AM101094 [0,1,0,0,0,0|2,0,1]=4 359 B9R1.8 OCCC1CCOCC1 AM100846 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.8 OCCN1CCCCC1 AMY9422 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.8 OCCN1CCCCO1 AM806477 [0,1,0,0,0,0|1,0,0]=2 362 B9R1.8 OCCN1CCNCC1 AM20070679 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.8 OCCN1CCOCC1 AMY9419 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [0,1,0,0,0,0|1,0,1]=3 365 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [0,1,0,0,0,0|1,0,0]=2 366 B9R1.8 OCC[C@@H]1COCCN1 AMY1958 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [0,1,0,0,0,0|1,0,0]=2 368 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [0,1,0,0,0,0|1,0,0]=2 369 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.8 SCCC1CCNCC1 AM101536 [0,1,0,0,0,0|2,1,0]=4 374 B9R1.8 SCCC1CCOCC1 AM98456 [0,1,0,0,0,0|2,1,0]=4 375 B9R1.8 SCC[C@H]1CCCNC1 AM98083 [0,1,0,0,0,0|2,1,0]=4 376 B9R1.15 CCC1CCCCC1O AM20070485 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.15 CN1CCCC[C@@H]1CN AMY21400 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.15 CN1CCCC[C@H]1C=O AM100803 [0,1,0,0,0,0|1,0,2]=4 380 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,1,0,0,0,0|1,0,2]=4 383 B9R1.15 OCC1CCNCC1O AM100522 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.15 OCC1CNCCC1O AM101136 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.118 C#CC1(O)CCCCC1 AMY37050 [0,1,0,0,0,0|2,0,1]=4 386 B9R1.118 CC1(C=O)CCCCC1 AM20070501 [0,1,0,0,0,0|1,0,2]=4 387 B9R1.118 CC1(CN)CCCCC1 AM803830 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.118 CC1(CN)CCOCC1 AMY34437 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.118 NC1(CO)CCOCC1 AM20100686 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.118 NCC1(F)CCCCC1 AM806258 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.118 NCC1(O)CCOCC1 AM807201 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.118 NCC1(O)CCSCC1 AMY13637 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.118 OCC1(O)CCNCC1 AM101523 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.118 OC[C@]1(O)CCCNC1 AM101344 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.1 BrCCCCCCBr AMY11215 [0,0,1,0,0,0|2,0,0]=3 396 B7R0.1 C#CCCCCCC AMY25742 [0,0,1,0,0,0|2,0,1]=4 397 B7R0.1 C=CCCCCCCl AM85971 [0,0,1,0,0,0|2,0,1]=4 398 B7R0.1 C=CCCCCCO AMY7500 [0,0,1,0,0,0|1,0,1]=3 399 B7R0.1 ClCCCCCCCl AM84762 [0,0,1,0,0,0|2,0,0]=3 400 B7R0.1 N#CCCCCCBr AMY18606 [0,0,1,0,0,0|2,0,1]=4 401 B7R0.1 N#CCCSCCO AMY25176 [0,0,1,0,0,0|1,1,1]=4 402 B7R0.1 NCCCCCCO AMY18359 [0,0,1,0,0,0|1,0,0]=2 403 B7R0.1 NCCCCCCS AMY32225 [0,0,1,0,0,0|1,1,0]=3 404 B7R0.1 NCCCNCCBr AM20090252 [0,0,1,0,0,0|3,0,0]=4 405 B7R0.1 OCCCCCCBr AMY2822 [0,0,1,0,0,0|1,0,0]=2 406 B7R0.1 OCCCCCCCl AMY25606 [0,0,1,0,0,0|1,0,0]=2 407 B7R0.1 OCCCNCCO AMY15136 [0,0,1,0,0,0|1,0,0]=2 408 B7R0.1 OCCCOCCCl AM806608 [0,0,1,0,0,0|2,0,0]=3 409 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,0,1,0,0,0|1,0,0]=2 410 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,0,1,0,0,0|0,0,0]=1 411 B7R0.3 CCCOC(=O)CC AMY21939 [0,0,1,0,0,0|2,0,1]=4 412 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,0,1,0,0,0|1,0,0]=2 413 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,0,1,0,0,0|3,0,0]=4 414 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,0,1,0,0,0|1,0,0]=2 415 B7R0.12 CCCC(CO)CO AMY36979 [0,0,1,0,0,0|2,0,0]=3 416 B7R0.12 CCCN(CC)CC AMY13337 [0,0,1,0,0,0|3,0,0]=4 417 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,0,1,0,0,0|1,0,0]=2 418 B7R0.12 CCO[C@H](C#N)CBr AMY20255 [0,0,1,0,0,0|2,0,1]=4 419 B7R0.12 CNCC(OC)OC AMY41272 [0,0,1,0,0,0|3,0,0]=4 420 B7R0.12 COC(CCBr)OC AMY19911 [0,0,1,0,0,0|3,0,0]=4 421 B7R0.12 COC(CCO)OC AMY38618 [0,0,1,0,0,0|3,0,0]=4 422 B7R0.12 COCC(OC)OC AM20080585 [0,0,1,0,0,0|3,0,0]=4 423 B9R2.49 C1CC2CCC1CN2 AMY5586 [0,0,0,1,0,0|2,0,0]=3 424 B9R2.49 C1CC2CNC1CO2 AMY34762 [0,0,0,1,0,0|1,0,0]=2 425 B9R2.49 C1CN2CCC1CC2 AMY22548 [0,0,0,1,0,0|3,0,0]=4 426 B9R2.65 OCC1[C@H]2COC[C@H]12 AMY34304 [0,0,0,1,0,0|2,0,0]=3 427 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 AMY24256 [0,0,0,1,0,0|2,0,0]=3 428 B9R2.68 C1CC2CCC(C1)N2 AMY35137 [0,0,0,1,0,0|2,0,0]=3 429 B9R2.68 C1CC2CNCC1C2 AMY42503 [0,0,0,1,0,0|3,0,0]=4 430 B9R2.68 C1CC2CNCC1O2 AM20100352 [0,0,0,1,0,0|2,0,0]=3 431 B9R2.68 C1CC2COCC1N2 AM85961 [0,0,0,1,0,0|3,0,0]=4 432 B9R2.68 C1CC2CSCC1N2 AMY35827 [0,0,0,1,0,0|3,0,0]=4 433 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY36412 [0,0,0,1,0,0|3,0,0]=4 434 B9R2.68 C1C[C@@H]2COC[C@H]1N2 AMY5711 [0,0,0,1,0,0|3,0,0]=4 435 B9R2.174 C1CC2(CCN1)CC2 AM804453 [0,0,0,1,0,0|3,0,0]=4 436 B9R2.174 C1CC2(CCN1)CC2 AMY26320 [0,0,0,1,0,0|3,0,0]=4 437 B9R2.174 C1COC2(CC2)CN1 AMY26262 [0,0,0,1,0,0|2,0,0]=3 438 B9R2.174 C1COCC2(CC2)N1 AMY26434 [0,0,0,1,0,0|3,0,0]=4 439 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,0,1,0|1,0,0]=2 440 B7R1.1 BrCC1OCCO1 AMY39416 [0,0,0,0,1,0|2,0,0]=3 441 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,0,0,0,1,0|2,0,0]=3 442 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,0,0,0,1,0|2,0,0]=3 443 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,0,0,0,1,0|2,0,0]=3 444 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,0,0,0,1,0|1,0,0]=2 445 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,0,0,0,1,0|2,0,0]=3 446 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,0,0,0,1,0|2,0,0]=3 447 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,0,0,0,1,0|2,0,0]=3 448 B7R1.1 C=CN1CCCC1 AM85776 [0,0,0,0,1,0|2,0,1]=4 449 B7R1.1 CCC1=NCCO1 AM84318 [0,0,0,0,1,0|2,0,1]=4 450 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,0,1,0|2,0,0]=3 451 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,0,1,0|2,0,0]=3 452 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,0,1,0|2,0,0]=3 453 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,0,1,0|2,0,0]=3 454 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,0,1,0|2,0,0]=3 455 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,0,0,0,1,0|3,0,0]=4 456 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,0,0,0,1,0|3,0,0]=4 457 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,0,0,0,1,0|3,0,0]=4 458 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,0,0,0,1,0|3,0,0]=4 459 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,0,0,0,1,0|3,0,0]=4 460 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,0,0,0,1,0|3,0,0]=4 461 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,0,0,0,1,0|3,0,0]=4 462 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,0,0,0,1,0|3,0,0]=4 463 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,0,0,0,1,0|3,0,0]=4 464 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,0,0,0,1,0|3,0,0]=4 465 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,0,0,0,1,0|3,0,0]=4 466 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,0,0,0,1,0|3,0,0]=4 467 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,0,0,0,1,0|2,0,0]=3 468 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,0,0,0,1,0|2,0,0]=3 469 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,0,0,0,1,0|2,0,0]=3 470 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,0,0,0,1,0|2,0,0]=3 471 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,0,0,0,1,0|2,0,0]=3 472 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,0,0,0,1,0|2,0,0]=3 473 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,0,0,0,1,0|2,0,0]=3 474 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,0,0,0,1,0|2,0,0]=3 475 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,0,0,0,1,0|2,0,0]=3 476 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,0,0,0,1,0|2,0,0]=3 477 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,0,0,0,1,0|2,0,0]=3 478 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,0,0,0,1,0|2,0,0]=3 479 B7R1.1 N#CN1CCCC1 AMY41640 [0,0,0,0,1,0|2,0,1]=4 480 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,0,0,0,1,0|2,0,1]=4 481 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,0,0,0,1,0|2,0,1]=4 482 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,0,0,0,1,0|2,0,1]=4 483 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,0,0,0,1,0|1,1,1]=4 484 B7R1.1 N#C[C@@H]1CCNC1 AMY37510 [0,0,0,0,1,0|2,0,1]=4 485 B7R1.1 N#C[C@H]1CCNC1 AM20080099 [0,0,0,0,1,0|2,0,1]=4 486 B7R1.1 N#C[C@H]1CCNC1 AM20080100 [0,0,0,0,1,0|2,0,1]=4 487 B7R1.1 N#C[C@H]1CCNC1 AMY37559 [0,0,0,0,1,0|2,0,1]=4 488 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,0,0,0,1,0|2,0,1]=4 489 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,0,1,0|1,0,0]=2 490 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,0,1,0|1,0,0]=2 491 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,0,0,0,1,0|2,0,0]=3 492 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,0,0,0,1,0|2,0,0]=3 493 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,0,0,0,1,0|1,0,0]=2 494 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,0,0,0,1,0|1,0,0]=2 495 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,0,0,0,1,0|2,0,0]=3 496 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,0,0,0,1,0|2,0,0]=3 497 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,0,0,0,1,0|2,0,0]=3 498 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,0,0,0,1,0|2,0,0]=3 499 B7R1.1 NNC1CCCC1 AM803574 [0,0,0,0,1,0|2,0,0]=3 500 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,0,0,0,1,0|3,0,0]=4 501 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,0,0,0,1,0|3,0,0]=4 502 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,0,0,0,1,0|3,0,0]=4 503 B7R1.1 NOC1CCCC1 AMY27645 [0,0,0,0,1,0|2,0,0]=3 504 B7R1.1 O=CC1CCCC1 AM83284 [0,0,0,0,1,0|0,0,2]=3 505 B7R1.1 O=CN1CCCC1 AMY24174 [0,0,0,0,1,0|1,0,2]=4 506 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,0,0,0,1,0|1,0,2]=4 507 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,0,0,0,1,0|1,0,2]=4 508 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,0,0,0,1,0|1,0,2]=4 509 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,0,0,0,1,0|0,0,2]=3 510 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,0,0,0,1,0|1,0,2]=4 511 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,0,0,0,1,0|1,0,2]=4 512 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,0,0,0,1,0|1,0,2]=4 513 B7R1.1 OCC1CC=CC1 AM20090293 [0,0,0,0,1,0|0,0,2]=3 514 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,0,1,0|0,0,0]=1 515 B7R1.1 OCC1OCCO1 AMY35660 [0,0,0,0,1,0|1,0,0]=2 516 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,0,0,0,1,0|0,0,0]=1 517 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,0,0,0,1,0|1,0,0]=2 518 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,0,0,0,1,0|1,0,0]=2 519 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,0,0,0,1,0|1,0,0]=2 520 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,0,0,0,1,0|0,0,0]=1 521 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,0,0,0,1,0|0,0,0]=1 522 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,0,0,0,1,0|1,0,0]=2 523 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,0,0,0,1,0|1,0,0]=2 524 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,0,0,0,1,0|1,0,0]=2 525 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,0,0,0,1,0|1,0,0]=2 526 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,0,0,0,1,0|1,0,0]=2 527 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,0,0,0,1,0|1,0,0]=2 528 B7R1.1 ON=C1CCCC1 AM20080131 [0,0,0,0,1,0|1,0,1]=3 529 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,0,0,0,1,0|1,1,0]=3 530 B9R1.89 N#C[C@H]1CCCNCC1 AMY35147 [0,0,0,0,0,1|2,0,1]=4 531 B9R1.89 NNC1CCCCCC1 AM9802 [0,0,0,0,0,1|3,0,0]=4 532 B9R1.89 O=CC1CCCCCC1 AMY21681 [0,0,0,0,0,1|1,0,2]=4 533 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [0,0,0,0,0,1|1,0,0]=2 534 B9R1.89 OC[C@H]1CNCCCO1 AMY20125 [0,0,0,0,0,1|0,0,0]=1 535 B6R0.6 BrCCCCCBr AMY11214 [1,0,1,0,0,0|2,0,0]=4 536 B6R0.6 C#CCOCCO AMY28705 [1,0,1,0,0,0|0,0,2]=4 537 B6R0.6 C=CCCCCO AM20100796 [1,0,1,0,0,0|0,0,2]=4 538 B6R0.6 CCCCCCC AMY22304 [1,0,1,0,0,0|1,0,0]=3 539 B6R0.6 CCCCCCN AMY21942 [1,0,1,0,0,0|1,0,0]=3 540 B6R0.6 CCCCNCC AMY3985 [1,0,1,0,0,0|1,0,0]=3 541 B6R0.6 CCCCON=O AMY4016 [1,0,1,0,0,0|1,0,1]=4 542 B6R0.6 CCOCCC#N AMY40959 [1,0,1,0,0,0|1,0,1]=4 543 B6R0.6 CCOCCCN AMY21920 [1,0,1,0,0,0|1,0,0]=3 544 B6R0.6 CCOCCCO AM20080058 [1,0,1,0,0,0|1,0,0]=3 545 B6R0.6 CCOCOCC AMY25683 [1,0,1,0,0,0|1,0,0]=3 546 B6R0.6 COCCCCBr AMY9376 [1,0,1,0,0,0|2,0,0]=4 547 B6R0.6 COCCCCO AM20080057 [1,0,1,0,0,0|1,0,0]=3 548 B6R0.6 C\C=C\CCCO AMY2616 [1,0,1,0,0,0|0,0,2]=4 549 B6R0.6 ClCCOCCCl AMY9389 [1,0,1,0,0,0|2,0,0]=4 550 B6R0.6 FCCCCCBr AM20100088 [1,0,1,0,0,0|2,0,0]=4 551 B6R0.6 NCCCCCN AM61576 [1,0,1,0,0,0|2,0,0]=4 552 B6R0.6 NCCOCCN AMY7556 [1,0,1,0,0,0|2,0,0]=4 553 B6R0.6 NCCOCCO AMY18064 [1,0,1,0,0,0|1,0,0]=3 554 B6R0.6 OCCCCCBr AM20090543 [1,0,1,0,0,0|1,0,0]=3 555 B6R0.6 OCCOCCBr AMY4498 [1,0,1,0,0,0|1,0,0]=3 556 B6R0.6 OCCOCCCl AMY9387 [1,0,1,0,0,0|1,0,0]=3 557 B6R0.1 CCOC(=O)CC AMY21941 [1,0,1,0,0,0|0,0,2]=4 558 B6R0.1 C[C@@H](CO)CCO AMY37668 [1,0,1,0,0,0|1,0,0]=3 559 B6R0.1 C[C@H](CN)CCN AMY1782 [1,0,1,0,0,0|2,0,0]=4 560 B6R0.1 C[C@H](CO)CCO AMY37676 [1,0,1,0,0,0|1,0,0]=3 561 B6R0.1 OCC[C@H](O)CO AMY14876 [1,0,1,0,0,0|1,0,0]=3 562 B6R0.1 OCC[C@H](O)CO AMY6061 [1,0,1,0,0,0|1,0,0]=3 563 B6R0.4 CC(C)CCCO AMY39142 [1,0,1,0,0,0|2,0,0]=4 564 B6R0.4 CC(C)NCCCl AMY31121 [1,0,1,0,0,0|2,0,0]=4 565 B6R0.4 CC(C)OCCBr AM80879 [1,0,1,0,0,0|1,0,0]=3 566 B6R0.4 CCCCN(C)C AMY25818 [1,0,1,0,0,0|2,0,0]=4 567 B6R0.4 CNCCC(C)C AMY37348 [1,0,1,0,0,0|2,0,0]=4 568 B6R0.4 CNCCC(C)C AMY37370 [1,0,1,0,0,0|2,0,0]=4 569 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,0,1,0,0,0|2,0,0]=4 570 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,0,1,0,0,0|0,0,2]=4 571 B6R0.9 CCC(CC)NN AM10003 [1,0,1,0,0,0|2,0,0]=4 572 B6R0.9 CCC(CC)NN AM10008 [1,0,1,0,0,0|2,0,0]=4 573 B6R0.9 CCC(CO)CO AM10034 [1,0,1,0,0,0|1,0,0]=3 574 B6R0.9 CCN(CC)CC AMY14826 [1,0,1,0,0,0|2,0,0]=4 575 B6R0.9 CCP(CC)CC AMY11700 [1,0,1,0,0,0|2,0,0]=4 576 B6R0.9 CC[BH-](CC)CC AMY14847 [1,0,1,0,0,0|2,0,0]=4 577 B6R0.9 CC[O+](CC)CC AMY13411 [1,0,1,0,0,0|2,0,0]=4 578 B6R0.9 COC(CCl)OC AMY3314 [1,0,1,0,0,0|2,0,0]=4 579 B6R0.9 OCC(CO)CO AM20100186 [1,0,1,0,0,0|2,0,0]=4 580 B6R1.1 C1=CCCCC1 AMY17792 [2,0,0,0,0,0|1,0,1]=4 581 B6R1.1 C1=CCOCC1 AM9907 [2,0,0,0,0,0|0,0,2]=4 582 B6R1.1 C1=COCCC1 AMY39440 [2,0,0,0,0,0|0,0,2]=4 583 B6R1.1 C1CCCCC1 AMY11047 [2,0,0,0,0,0|1,0,0]=3 584 B6R1.1 C1CCNCC1 AMY40816 [2,0,0,0,0,0|1,0,0]=3 585 B6R1.1 C1CCNNC1 AMY19957 [2,0,0,0,0,0|2,0,0]=4 586 B6R1.1 C1CCOCC1 AMY8873 [2,0,0,0,0,0|0,0,0]=2 587 B6R1.1 C1CCONC1 AM804032 [2,0,0,0,0,0|1,0,0]=3 588 B6R1.1 C1CCONC1 AMY42463 [2,0,0,0,0,0|1,0,0]=3 589 B6R1.1 C1CNCOC1 AMY28616 [2,0,0,0,0,0|1,0,0]=3 590 B6R1.1 C1COCCN1 AMY14878 [2,0,0,0,0,0|1,0,0]=3 591 B6R1.1 C1COCCN1 AMY22834 [2,0,0,0,0,0|1,0,0]=3 592 B6R1.1 C1COCCN1 AMY721 [2,0,0,0,0,0|1,0,0]=3 593 B6R1.1 C1COCCO1 AMY33329 [2,0,0,0,0,0|1,0,0]=3 594 B6R1.1 C1CSCCN1 AM807014 [2,0,0,0,0,0|1,1,0]=4 595 B6R1.1 C1CSCCO1 AMY25585 [2,0,0,0,0,0|1,0,0]=3 596 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,1,1,0,0,0|1,0,0]=3 597 B8R0.4 BrCCCCCCCBr AMY11216 [0,1,1,0,0,0|2,0,0]=4 598 B8R0.4 CCCCCCCCBr AMY9377 [0,1,1,0,0,0|2,0,0]=4 599 B8R0.4 CCCCCCCCN AMY21876 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.4 CCCCNCCCC AM20100543 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.4 CCCCNCCCC AMY21922 [0,1,1,0,0,0|2,0,0]=4 602 B8R0.4 CCCCOCCCC AMY14888 [0,1,1,0,0,0|1,0,0]=3 603 B8R0.4 CCCCOCCCC AMY30969 [0,1,1,0,0,0|1,0,0]=3 604 B8R0.4 CCCCOCCCN AMY21912 [0,1,1,0,0,0|1,0,0]=3 605 B8R0.4 COCCNCCCO AMY15137 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.4 COCCNCCOC AMY734 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.4 NCCCCCCCO AMY18876 [0,1,1,0,0,0|1,0,0]=3 608 B8R0.4 NCCCCNCCO AMY30916 [0,1,1,0,0,0|1,0,0]=3 609 B8R0.4 NCCCNCCCN AMY14287 [0,1,1,0,0,0|2,0,0]=4 610 B8R0.4 OCCCCCCCBr AM20070667 [0,1,1,0,0,0|1,0,0]=3 611 B8R0.4 OCCCCCCCO AMY22642 [0,1,1,0,0,0|0,0,0]=2 612 B8R0.4 OCCCNCCCO AMY202100020 [0,1,1,0,0,0|0,0,0]=2 613 B8R0.6 BrCCCC[C@H](Br)CBr AMY7668 [0,1,1,0,0,0|2,0,0]=4 614 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.7 CC(C)CCCCCBr AM806997 [0,1,1,0,0,0|2,0,0]=4 617 B8R0.7 CC(C)NCCCCO AMY10379 [0,1,1,0,0,0|2,0,0]=4 618 B8R0.7 CCCCCCB(O)O AMY30011 [0,1,1,0,0,0|2,0,0]=4 619 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,1,0,0,0|1,0,1]=4 620 B8R0.7 CCCCCC[C@H](C)N AMY21971 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.7 NCCCCCC(=O)O AM82438 [0,1,1,0,0,0|1,0,1]=4 622 B8R0.7 NCCCCCC(=O)O AMY977 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,1,1,0,0,0|1,0,1]=4 624 B8R0.7 O=C(O)CCCCCO AM10824 [0,1,1,0,0,0|0,0,1]=3 625 B8R0.7 O=C(O)CCOCCO AMY4563 [0,1,1,0,0,0|1,0,1]=4 626 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM20100306 [0,1,1,0,0,0|1,0,1]=4 627 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM83958 [0,1,1,0,0,0|1,0,1]=4 628 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,1,1,0,0,0|1,0,1]=4 629 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,1,1,0,0,0|1,0,1]=4 630 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,1,1,0,0,0|1,0,1]=4 631 B8R0.11 CCCCC(CO)CO AMY15528 [0,1,1,0,0,0|0,0,0]=2 632 B8R0.11 CCCCN(CO)CO AMY31437 [0,1,1,0,0,0|1,0,0]=3 633 B8R0.11 CCCC[C@H](CC)CCl AMY9424 [0,1,1,0,0,0|2,0,0]=4 634 B8R0.11 CCCC[C@H](CC)CN AMY21851 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.11 CCCC[C@H](CC)CO AMY11009 [0,1,1,0,0,0|1,0,0]=3 636 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [0,1,1,0,0,0|1,0,1]=4 637 B8R0.16 CC[C@@H](CN)NC(C)C AMY13344 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.16 COC(C[C@H](C)O)OC AMY38802 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.22 C#CC(OCC)OCC AM84305 [0,1,1,0,0,0|1,0,1]=4 640 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,1,1,0,0,0|0,1,1]=4 641 B8R0.22 CCOC(C#N)OCC AM20100495 [0,1,1,0,0,0|1,0,1]=4 642 B8R0.22 CCOC(CBr)OCC AMY12208 [0,1,1,0,0,0|1,0,0]=3 643 B8R0.22 CCOC(CN)OCC AM807055 [0,1,1,0,0,0|1,0,0]=3 644 B8R0.22 CCOC(CO)OCC AMY23961 [0,1,1,0,0,0|0,0,0]=2 645 B8R1.3 Br[C@H]1CC[C@H](Br)CC1 AMY6604 [1,1,0,0,0,0|2,0,0]=4 646 B8R1.3 CC1CCC(=O)CC1 AMY17977 [1,1,0,0,0,0|1,0,1]=4 647 B8R1.3 CC1CCC(N)CC1 AM804167 [1,1,0,0,0,0|1,0,0]=3 648 B8R1.3 CC1CNC(C)CN1 AM81374 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.3 CN1CCC(Br)CC1 AMY41829 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.3 CN1CCC(Cl)CC1 AMY40670 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.3 CN1CCC(I)CC1 AM100725 [1,1,0,0,0,0|2,0,0]=4 652 B8R1.3 CN1CCC(N)CC1 AM20100109 [1,1,0,0,0,0|2,0,0]=4 653 B8R1.3 CN1CCC(O)CC1 AM802881 [1,1,0,0,0,0|2,0,0]=4 654 B8R1.3 CN1CCC(O)CC1 AMY37059 [1,1,0,0,0,0|2,0,0]=4 655 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [1,1,0,0,0,0|1,0,0]=3 656 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [1,1,0,0,0,0|1,0,0]=3 657 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [1,1,0,0,0,0|1,0,0]=3 658 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [1,1,0,0,0,0|1,0,0]=3 659 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [1,1,0,0,0,0|1,0,0]=3 660 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [1,1,0,0,0,0|1,0,0]=3 661 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [1,1,0,0,0,0|1,0,0]=3 662 B8R1.3 C[C@H]1CN[C@H](C)CN1 AM20090356 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [1,1,0,0,0,0|1,0,0]=3 664 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [1,1,0,0,0,0|1,0,0]=3 665 B8R1.3 NC1CCC(Br)CC1 AM101779 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.3 NC1CCC(Cl)CC1 AM100935 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.3 NC1CCC(I)CC1 AM93472 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.3 NC1CCC(N)CC1 AM100652 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.3 NC1CCC(O)CC1 AMY6164 [1,1,0,0,0,0|1,0,0]=3 670 B8R1.3 NN1CCC(O)CC1 AMY16127 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AMY37608 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [1,1,0,0,0,0|1,0,0]=3 673 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [1,1,0,0,0,0|1,0,0]=3 674 B8R1.3 N[C@H]1CC[C@H](N)CC1 AM20070543 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [1,1,0,0,0,0|1,0,0]=3 676 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [1,1,0,0,0,0|1,0,0]=3 677 B8R1.3 O=C1CCC(O)CC1 AMY17986 [1,1,0,0,0,0|1,0,1]=4 678 B8R1.3 OC1COC(O)CO1 AM20090246 [1,1,0,0,0,0|1,0,0]=3 679 B8R1.3 OC1CSC(O)CS1 AMY24076 [1,1,0,0,0,0|1,1,0]=4 680 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [1,1,0,0,0,0|0,0,1]=3 681 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [1,1,0,0,0,0|0,0,2]=4 682 B8R1.4 CC1CC(Br)CCO1 AMY6009 [1,1,0,0,0,0|0,0,0]=2 683 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [1,1,0,0,0,0|0,0,0]=2 684 B8R1.4 CC1CC(N)CCN1 AMY19269 [1,1,0,0,0,0|1,0,0]=3 685 B8R1.4 CC1CC(N)CCO1 AMY5951 [1,1,0,0,0,0|0,0,0]=2 686 B8R1.4 CC1CC(N)CCO1 AMY5952 [1,1,0,0,0,0|0,0,0]=2 687 B8R1.4 CC1CC(O)CCO1 AMY6006 [1,1,0,0,0,0|0,0,0]=2 688 B8R1.4 CC1CCCC(N)C1 AM20070507 [1,1,0,0,0,0|1,0,0]=3 689 B8R1.4 CC1CNCC(C)C1 AMY3386 [1,1,0,0,0,0|2,0,0]=4 690 B8R1.4 CC1CNCC(C)N1 AM81382 [1,1,0,0,0,0|2,0,0]=4 691 B8R1.4 CN1CCC[C@H](Br)C1 AM100732 [1,1,0,0,0,0|2,0,0]=4 692 B8R1.4 CN1CCC[C@H](Br)C1 AM96149 [1,1,0,0,0,0|2,0,0]=4 693 B8R1.4 CN1CCC[C@H](Br)C1 AM96336 [1,1,0,0,0,0|2,0,0]=4 694 B8R1.4 CN1CCC[C@H](Cl)C1 AM100541 [1,1,0,0,0,0|2,0,0]=4 695 B8R1.4 CN1CCC[C@H](Cl)C1 AM95149 [1,1,0,0,0,0|2,0,0]=4 696 B8R1.4 CN1CCC[C@H](Cl)C1 AM96246 [1,1,0,0,0,0|2,0,0]=4 697 B8R1.4 CN1CCC[C@H](I)C1 AM92117 [1,1,0,0,0,0|2,0,0]=4 698 B8R1.4 CN1CCC[C@H](I)C1 AM96657 [1,1,0,0,0,0|2,0,0]=4 699 B8R1.4 CN1CCC[C@H](I)C1 AM96719 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [1,1,0,0,0,0|2,0,0]=4 702 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [1,1,0,0,0,0|2,0,0]=4 703 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [1,1,0,0,0,0|2,0,0]=4 704 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [1,1,0,0,0,0|2,0,0]=4 705 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [1,1,0,0,0,0|2,0,0]=4 707 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21610 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21742 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [1,1,0,0,0,0|1,0,0]=3 710 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AMY202003236 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [1,1,0,0,0,0|1,0,1]=4 712 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [1,1,0,0,0,0|1,0,1]=4 713 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [1,1,0,0,0,0|0,0,1]=3 714 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,1,0,0,0,0|1,0,1]=4 715 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AM81381 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [1,1,0,0,0,0|1,0,0]=3 720 B8R1.4 C[C@H]1CNC[C@H](C)N1 AMY21737 [1,1,0,0,0,0|2,0,0]=4 721 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [1,1,0,0,0,0|1,0,0]=3 722 B8R1.4 C[C@H]1COC[C@H](C)N1 AM10860 [1,1,0,0,0,0|2,0,0]=4 723 B8R1.4 NC1CCCC(O)C1 AM20070553 [1,1,0,0,0,0|1,0,0]=3 724 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [1,1,0,0,0,0|1,0,0]=3 725 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [1,1,0,0,0,0|1,0,0]=3 726 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [1,1,0,0,0,0|1,0,0]=3 727 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AM85391 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [1,1,0,0,0,0|1,0,0]=3 729 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [1,1,0,0,0,0|1,0,0]=3 730 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [1,1,0,0,0,0|1,0,0]=3 731 B8R1.5 CC1CCCCC1N AM804248 [1,1,0,0,0,0|1,0,0]=3 732 B8R1.5 CC1CCCNC1C AM81284 [1,1,0,0,0,0|1,0,0]=3 733 B8R1.5 CC1CNCCC1O AM10443 [1,1,0,0,0,0|2,0,0]=4 734 B8R1.5 CC1CNCCC1O AM803717 [1,1,0,0,0,0|2,0,0]=4 735 B8R1.5 CC1COCCC1N AM91481 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.5 CC1COCCC1O AM101521 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.5 CC1COCCC1S AM99651 [1,1,0,0,0,0|2,0,0]=4 738 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [1,1,0,0,0,0|2,0,0]=4 740 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [1,1,0,0,0,0|1,0,0]=3 741 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.5 C[C@H]1CNCCN1C AMY34386 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.5 C[C@H]1CNCCN1C AMY39146 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.5 C[C@H]1COCCC1=O AM91072 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.5 NC1CCCCC1F AM806373 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.5 NC1CCCCC1N AM20070551 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.5 NC1CCCCC1O AMY1039 [1,1,0,0,0,0|1,0,0]=3 749 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [1,1,0,0,0,0|1,0,0]=3 750 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [1,1,0,0,0,0|1,0,0]=3 751 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [1,1,0,0,0,0|1,0,0]=3 760 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [1,1,0,0,0,0|1,0,0]=3 761 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [1,1,0,0,0,0|1,0,0]=3 762 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.5 OC1CCNCC1O AMY19280 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.5 OC1CCOCC1F AMY34852 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.72 CC1(C)CCCNC1 AMY42566 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.72 CC1(C)CCNCC1 AMY21772 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.72 CC1(C)CCNCC1 AMY41051 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.72 CC1(C)CNCCN1 AM20110209 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.72 CC1(C)CNCCO1 AM20080363 [1,1,0,0,0,0|1,0,0]=3 783 B8R1.72 CC1(C)CNCCO1 AMY34686 [1,1,0,0,0,0|1,0,0]=3 784 B8R1.72 CC1(C)COCCN1 AMY21767 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.72 CC1(N)CCCCC1 AM804197 [1,1,0,0,0,0|1,0,0]=3 786 B8R1.72 CC1(N)CCOCC1 AMY23061 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.72 CC1(N)CCOCC1 AMY34985 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.72 CC1(O)CCCCC1 AMY25717 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.72 CC1(O)CCNCC1 AM100764 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.72 CC1(O)CCNCC1 AM804091 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.72 CC1(O)CCOCC1 AMY23045 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.72 FC1(F)CCCCC1 AMY5923 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.1 CC1CC(CO)CN1 AM806518 [0,1,0,0,1,0|1,0,0]=3 795 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [0,1,0,0,1,0|2,0,0]=4 796 B8R1.1 CN1CC[C@@H](CN)C1 AMY35716 [0,1,0,0,1,0|2,0,0]=4 797 B8R1.1 CN1CC[C@@H](CO)C1 AMY4400 [0,1,0,0,1,0|1,0,0]=3 798 B8R1.1 CN1CC[C@H](CBr)C1 AM91878 [0,1,0,0,1,0|2,0,0]=4 799 B8R1.1 CN1CC[C@H](CCl)C1 AM100961 [0,1,0,0,1,0|2,0,0]=4 800 B8R1.1 CN1CC[C@H](CCl)C1 AM100997 [0,1,0,0,1,0|2,0,0]=4 801 B8R1.1 CN1CC[C@H](CI)C1 AM92498 [0,1,0,0,1,0|2,0,0]=4 802 B8R1.1 CN1CC[C@H](CN)C1 AM20080210 [0,1,0,0,1,0|2,0,0]=4 803 B8R1.1 CN1CC[C@H](CO)C1 AM803966 [0,1,0,0,1,0|1,0,0]=3 804 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,1,0,0,1,0|0,0,2]=4 805 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,1,0,0,1,0|0,0,2]=4 806 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,0,1,0|1,0,1]=4 807 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,0,1,0|1,0,1]=4 808 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,0,1,0|0,0,1]=3 809 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,0,1,0|1,0,1]=4 810 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,0,1,0|1,0,1]=4 811 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,1,0,0,1,0|1,0,0]=3 812 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,1,0,0,1,0|1,0,0]=3 813 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,1,0,0,1,0|1,0,0]=3 814 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,1,0,0,1,0|1,0,0]=3 815 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,1,0,0,1,0|0,0,2]=4 816 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,1,0,0,1,0|2,0,0]=4 817 B8R1.7 CC(O)C1CCNC1 AM806379 [0,1,0,0,1,0|1,0,0]=3 818 B8R1.7 CC(O)C1CCNC1 AM806521 [0,1,0,0,1,0|1,0,0]=3 819 B8R1.7 C[C@H](N)C1CCCC1 AM86034 [0,1,0,0,1,0|1,0,0]=3 820 B8R1.7 FC(F)[C@H]1CCNC1 AMY34784 [0,1,0,0,1,0|2,0,0]=4 821 B8R1.7 N=C(N)C1CCCC1 AM806532 [0,1,0,0,1,0|1,0,1]=4 822 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,1,0,0,1,0|0,0,2]=4 823 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,1,0,0,1,0|0,0,1]=3 824 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,1,0,0,1,0|1,0,1]=4 825 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,1,0,0,1,0|1,0,1]=4 826 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,1,0,0,1,0|1,0,1]=4 827 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,1,0,0,1,0|1,0,1]=4 828 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,1,0,0,1,0|0,0,1]=3 829 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,1,0,0,1,0|0,0,1]=3 830 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,1,0,0,1,0|0,0,1]=3 831 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,1,0,0,1,0|0,1,1]=4 832 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100448 [0,1,0,0,1,0|1,0,1]=4 833 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100693 [0,1,0,0,1,0|1,0,1]=4 834 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100694 [0,1,0,0,1,0|1,0,1]=4 835 B8R1.7 O=C(O)[C@H]1CCNC1 AM20120375 [0,1,0,0,1,0|1,0,1]=4 836 B8R1.7 O=C(O)[C@H]1CCOC1 AM20090011 [0,1,0,0,1,0|1,0,1]=4 837 B8R1.7 O=C(O)[C@H]1CCOC1 AM20100615 [0,1,0,0,1,0|1,0,1]=4 838 B8R1.7 O=C(O)[C@H]1CCOC1 AM20120290 [0,1,0,0,1,0|1,0,1]=4 839 B8R1.7 OB(O)C1CCCC1 AM80875 [0,1,0,0,1,0|1,0,0]=3 840 B8R1.8 BrCCC1OCCO1 AM20090095 [0,1,0,0,1,0|2,0,0]=4 841 B8R1.8 BrCC[C@H]1CCNC1 AM100071 [0,1,0,0,1,0|2,0,0]=4 842 B8R1.8 BrCC[C@H]1CCNC1 AM100210 [0,1,0,0,1,0|2,0,0]=4 843 B8R1.8 BrCC[C@H]1CCNC1 AM99268 [0,1,0,0,1,0|2,0,0]=4 844 B8R1.8 C#CCN1CCCC1 AMY20751 [0,1,0,0,1,0|2,0,0]=4 845 B8R1.8 CCN[C@H]1CCNC1 AM100745 [0,1,0,0,1,0|2,0,0]=4 846 B8R1.8 CCN[C@H]1CCNC1 AM100746 [0,1,0,0,1,0|2,0,0]=4 847 B8R1.8 CCN[C@H]1CCNC1 AM90658 [0,1,0,0,1,0|2,0,0]=4 848 B8R1.8 CCN[C@H]1CCOC1 AM91681 [0,1,0,0,1,0|2,0,0]=4 849 B8R1.8 CCN[C@H]1CCOC1 AMY35389 [0,1,0,0,1,0|2,0,0]=4 850 B8R1.8 CCO[C@@H]1CCNC1 AMY21337 [0,1,0,0,1,0|2,0,0]=4 851 B8R1.8 CCO[C@H]1CCNC1 AMY21339 [0,1,0,0,1,0|2,0,0]=4 852 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,1,0,0,1,0|2,0,0]=4 853 B8R1.8 CNC[C@H]1CCNC1 AM101567 [0,1,0,0,1,0|2,0,0]=4 854 B8R1.8 CNC[C@H]1CCOC1 AM20100680 [0,1,0,0,1,0|2,0,0]=4 855 B8R1.8 COC[C@@H]1CCNC1 AMY34408 [0,1,0,0,1,0|1,0,0]=3 856 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,1,0,0,1,0|1,0,0]=3 857 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,1,0,0,1,0|1,0,0]=3 858 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,1,0,0,1,0|1,0,0]=3 859 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,1,0,0,1,0|1,0,0]=3 860 B8R1.8 COC[C@H]1CCNC1 AM100231 [0,1,0,0,1,0|1,0,0]=3 861 B8R1.8 COC[C@H]1CCNC1 AM101657 [0,1,0,0,1,0|1,0,0]=3 862 B8R1.8 ClCCN1CCCC1 AMY4094 [0,1,0,0,1,0|2,0,0]=4 863 B8R1.8 ClCC[C@H]1CCNC1 AM100163 [0,1,0,0,1,0|2,0,0]=4 864 B8R1.8 ClCC[C@H]1CCNC1 AM100184 [0,1,0,0,1,0|2,0,0]=4 865 B8R1.8 ClCC[C@H]1CCNC1 AM101210 [0,1,0,0,1,0|2,0,0]=4 866 B8R1.8 ICC[C@H]1CCNC1 AM100081 [0,1,0,0,1,0|2,0,0]=4 867 B8R1.8 ICC[C@H]1CCNC1 AM100238 [0,1,0,0,1,0|2,0,0]=4 868 B8R1.8 ICC[C@H]1CCNC1 AM98308 [0,1,0,0,1,0|2,0,0]=4 869 B8R1.8 N#CCC1CCCC1 AMY2023 [0,1,0,0,1,0|1,0,0]=3 870 B8R1.8 N#CCN1CCCC1 AM806630 [0,1,0,0,1,0|2,0,0]=4 871 B8R1.8 N#CCN1CCCC1 AMY16274 [0,1,0,0,1,0|2,0,0]=4 872 B8R1.8 NCCC1CCCC1 AM20100413 [0,1,0,0,1,0|1,0,0]=3 873 B8R1.8 NCCC1CCCC1 AMY16086 [0,1,0,0,1,0|1,0,0]=3 874 B8R1.8 NCCN1CCCC1 AMY9353 [0,1,0,0,1,0|2,0,0]=4 875 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,1,0,0,1,0|1,0,0]=3 876 B8R1.8 NCC[C@H]1CCNC1 AM100091 [0,1,0,0,1,0|2,0,0]=4 877 B8R1.8 NCC[C@H]1CCNC1 AM100125 [0,1,0,0,1,0|2,0,0]=4 878 B8R1.8 NCC[C@H]1CCNC1 AM100664 [0,1,0,0,1,0|2,0,0]=4 879 B8R1.8 NCC[C@H]1CCNC1 AM10830 [0,1,0,0,1,0|2,0,0]=4 880 B8R1.8 O=CCC1CCCC1 AMY18693 [0,1,0,0,1,0|0,0,1]=3 881 B8R1.8 OCCC1CCCC1 AMY18681 [0,1,0,0,1,0|0,0,0]=2 882 B8R1.8 OCCN1CCCC1 AM20090391 [0,1,0,0,1,0|1,0,0]=3 883 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,1,0,0,1,0|1,0,0]=3 884 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,1,0,0,1,0|1,0,0]=3 885 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,1,0,0,1,0|1,0,0]=3 886 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,1,0,0,1,0|1,0,0]=3 887 B8R1.8 SCCN1CCCC1 AM20100120 [0,1,0,0,1,0|1,1,0]=4 888 B8R1.8 SCC[C@H]1CCNC1 AM100134 [0,1,0,0,1,0|1,1,0]=4 889 B8R1.8 SCC[C@H]1CCNC1 AM100237 [0,1,0,0,1,0|1,1,0]=4 890 B8R1.8 SCC[C@H]1CCNC1 AM99159 [0,1,0,0,1,0|1,1,0]=4 891 B8R1.11 C#CC1CCCC1O AMY20186 [0,1,0,0,1,0|1,0,1]=4 892 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,1,0,0,1,0|2,0,0]=4 893 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,1,0,0,1,0|2,0,0]=4 894 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,1,0,0,1,0|2,0,0]=4 895 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,1,0,0,1,0|2,0,0]=4 896 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,1,0,0,1,0|2,0,0]=4 897 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,1,0,0,1,0|2,0,0]=4 898 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,1,0,0,1,0|2,0,0]=4 899 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,1,0,0,1,0|2,0,0]=4 900 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,0,1,0|1,0,0]=3 901 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,0,1,0|1,0,0]=3 902 B8R1.11 NC[C@H]1COC[C@@H]1O AMY35772 [0,1,0,0,1,0|2,0,0]=4 903 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,0,1,0|1,0,1]=4 904 B8R1.52 CC[N+]1(C)CCCC1 AMY10921 [0,1,0,0,1,0|2,0,0]=4 905 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,1,0,0,1,0|1,0,1]=4 906 B8R1.52 C[C@@]1(CO)CCCN1 AMY34479 [0,1,0,0,1,0|1,0,0]=3 907 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,1,0,0,1,0|1,0,0]=3 908 B8R1.52 C[C@]1(CN)CCOC1 AMY33684 [0,1,0,0,1,0|2,0,0]=4 909 B8R1.52 C[C@]1(CO)CCCN1 AMY34476 [0,1,0,0,1,0|1,0,0]=3 910 B8R1.52 N#CC1(N)CCCC1 AM20100218 [0,1,0,0,1,0|1,0,1]=4 911 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,1,0,0,1,0|0,0,0]=2 912 B8R1.52 NCC1(F)CCCC1 AMY34317 [0,1,0,0,1,0|1,0,0]=3 913 B8R1.52 NCC1(N)CCCC1 AMY40946 [0,1,0,0,1,0|1,0,0]=3 914 B8R1.52 NCC1(O)CCCC1 AM20100163 [0,1,0,0,1,0|1,0,0]=3 915 B8R1.52 OC[C@]1(O)CCNC1 AM97514 [0,1,0,0,1,0|1,0,0]=3 916 B10R1.348 O=C(O)C1CCCCCC1 AM20080348 [0,1,0,0,0,1|1,0,1]=4 917 B10R1.348 O=C(O)[C@@H]1CCCCCN1 AM20100286 [0,1,0,0,0,1|1,0,1]=4 918 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AMY20191 [0,1,0,0,0,1|0,0,1]=3 919 B10R1.1 CC1CCN(CCO)CC1 AMY10475 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.1 CCCC1CCC(O)CC1 AMY3575 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.1 CCO[C@H]1CC[C@H](N)CC1 AMY21459 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.1 COC[C@H]1CC[C@H](N)CC1 AMY202003191 [0,2,0,0,0,0|1,0,0]=3 923 B10R1.1 NC1CCN(CCO)CC1 AMY21323 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.3 CCC1CCC(CO)CC1 AMY35796 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.3 CCN1CCC(CO)CC1 AM20120302 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.3 CN[C@H]1CC[C@H](CO)CC1 AMY19537 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.3 N#CN1CCC(CO)CC1 AM806437 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 AMY21319 [0,2,0,0,0,0|1,0,0]=3 929 B10R1.3 O=CN1CCC(CO)CC1 AMY16300 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.3 OCC1CCC(CO)CC1 AM84323 [0,2,0,0,0,0|1,0,0]=3 931 B10R1.3 OCC1CSC(CO)CS1 AMY23408 [0,2,0,0,0,0|1,1,0]=4 932 B10R1.3 OC[C@H]1CC[C@H](CO)CC1 AMY698 [0,2,0,0,0,0|1,0,0]=3 933 B10R1.13 CC1CCC(C(=O)O)CC1 AM9725 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 AMY18328 [0,2,0,0,0,0|1,0,1]=4 935 B10R1.13 NC1CCC(C(=O)O)CC1 AM9683 [0,2,0,0,0,0|1,0,1]=4 936 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AM9731 [0,2,0,0,0,0|1,0,1]=4 937 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AMY11829 [0,2,0,0,0,0|1,0,1]=4 938 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20070477 [0,2,0,0,0,0|1,0,1]=4 939 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20112001 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.13 O=C(O)C1CCC(O)CC1 AM9676 [0,2,0,0,0,0|1,0,1]=4 941 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AM9561 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AMY202003234 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 AMY34072 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 AM9679 [0,2,0,0,0,0|1,0,1]=4 945 B10R1.26 FC1(F)CCC(CBr)CC1 AMY32118 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.26 NCC1CCC(F)(F)CC1 AM20070514 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.26 NCC1CCC(F)(F)CC1 AMY6039 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.26 O=S1(=O)CCC(CO)CC1 AMY3177 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.26 OCC1CCC(F)(F)CC1 AMY3270 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.2 CN1CCC[C@H](CO)C1=O AMY16162 [0,2,0,0,0,0|2,0,0]=4 951 B10R1.2 OC[C@H]1OC=C[C@@H](O)[C@@H]1O AMY32678 [0,2,0,0,0,0|0,0,2]=4 952 B10R1.2 OC[C@H]1OC=C[C@@H](O)[C@H]1O AMY10975 [0,2,0,0,0,0|0,0,2]=4 953 B10R1.8 CCC1CN(C)CC(O)O1 AMY10941 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 AMY21985 [0,2,0,0,0,0|1,0,1]=4 955 B10R1.113 NC1CCCC(C(=O)O)C1 AM9709 [0,2,0,0,0,0|1,0,1]=4 956 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AMY41372 [0,2,0,0,0,0|1,0,1]=4 957 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AM9711 [0,2,0,0,0,0|1,0,1]=4 958 B10R1.113 O=C(O)C1CCCC(O)C1 AM9713 [0,2,0,0,0,0|1,0,1]=4 959 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 AMY35679 [0,2,0,0,0,0|1,0,1]=4 960 B10R1.171 CC1(C)C[C@@H](CO)CCO1 AMY202003235 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.15 CC[C@H](O)C1CCCCC1 AMY6069 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090087 [0,2,0,0,0,0|1,0,1]=4 963 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090088 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090475 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20100112 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.15 COC(=O)[C@@H]1CCCCO1 AMY20577 [0,2,0,0,0,0|0,0,1]=3 967 B10R1.15 COC(=O)[C@@H]1CNCCO1 AM803176 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.15 COC(=O)[C@@H]1CNCCO1 AMY21732 [0,2,0,0,0,0|1,0,1]=4 969 B10R1.28 CC(C)(O)C1CCNCC1 AMY19712 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.61 CN1CCCC[C@@H]1C(=O)O AMY16116 [0,2,0,0,0,0|1,0,1]=4 971 B10R1.61 CN1CCCC[C@H]1C(=O)O AM804349 [0,2,0,0,0,0|1,0,1]=4 972 B10R1.61 CN1CCCC[C@H]1C(=O)O AMY16310 [0,2,0,0,0,0|1,0,1]=4 973 B10R1.61 CN1CCCC[C@H]1C(=O)O AMY21392 [0,2,0,0,0,0|1,0,1]=4 974 B10R1.363 CC(C)C1(O)CCCCC1 AMY6136 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 AM807081 [0,2,0,0,0,0|1,0,1]=4 976 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 AMY24131 [0,2,0,0,0,0|1,0,1]=4 977 B10R1.363 C[C@]1(C(=O)O)CCCCN1 AMY24130 [0,2,0,0,0,0|1,0,1]=4 978 B10R1.17 BrCCCN1CCCCO1 AM805966 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.17 BrCCC[C@H]1CCCCN1 AM90469 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.17 BrCCO[C@@H]1CCCCO1 AMY24778 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.17 CCNC[C@H]1CCCCN1 AM91126 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.17 COCCC1CCNCC1 AMY15796 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.17 COCC[C@H]1CCCCN1 AMY21766 [0,2,0,0,0,0|1,0,0]=3 984 B10R1.17 COCC[C@H]1CCCCN1 AMY37440 [0,2,0,0,0,0|1,0,0]=3 985 B10R1.17 ClCCC[C@H]1CCCCN1 AM101200 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.17 ICCC[C@H]1CCCCN1 AM99908 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.17 N#CCO[C@@H]1CCCCO1 AM806434 [0,2,0,0,0,0|1,0,0]=3 988 B10R1.17 NCCCC1CCCCC1 AMY23927 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.17 NCCC[C@H]1CCCCN1 AM101040 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.17 NCCOC1CCCCC1 AMY20121 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.17 O=CCO[C@@H]1CCCCO1 AMY2069 [0,2,0,0,0,0|0,0,1]=3 992 B10R1.17 OCCCC1CCNCC1 AM100294 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.17 OCCCC1CCNCC1 AMY34788 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [0,2,0,0,0,0|1,0,0]=3 995 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.17 OCCNC1CCOCC1 AMY6146 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.17 OCCO[C@@H]1CCCCO1 AMY202100048 [0,2,0,0,0,0|0,0,0]=2 998 B10R1.17 SCCC[C@H]1CCCCN1 AM97529 [0,2,0,0,0,0|1,1,0]=4 999 B10R1.18 CN(C)CC1CCCCC1 AM806664 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.18 CN(C)C[C@H]1CCCCN1 AM101010 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.18 CN(C)C[C@H]1CCCCN1 AM806190 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.18 CN(C)C[C@H]1CNCCO1 AM803058 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.18 O=C(O)CC1CCCCC1 AMY31936 [0,2,0,0,0,0|1,0,0]=3 1004 B10R1.18 O=C(O)CC1CCNCC1 AM20100706 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.18 O=C(O)CC1CCOCC1 AM20110221 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.18 O=C(O)CN1CCCCC1 AMY20084 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.18 O=C(O)C[C@H]1CCCCO1 AMY6072 [0,2,0,0,0,0|0,0,0]=2 1008 B10R1.18 O=C(O)C[C@H]1CCCNC1 AM101219 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.18 O=C(O)C[C@H]1CNCCN1 AMY25019 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.18 O=C(O)C[C@H]1CNCCO1 AM20090064 [0,2,0,0,0,0|1,0,0]=3 1011 B10R1.20 OC[C@@H]1CCCC[C@H]1CO AMY5218 [0,2,0,0,0,0|1,0,0]=3 1012 B8R1.10 OCCCC1COC1 AMY19719 [0,0,1,1,0,0|2,0,0]=4 1013 B8R1.10 OCCCN1CCC1 AMY37454 [0,0,1,1,0,0|2,0,0]=4 1014 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,1,1,0,0|2,0,0]=4 1015 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,1,1,0,0|2,0,0]=4 1016 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,1,1,0,0|2,0,0]=4 1017 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,0,1,1,0,0|2,0,0]=4 1018 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,0,1,1,0,0|2,0,0]=4 1019 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,0,1,1,0,0|2,0,0]=4 1020 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,0,1,1,0,0|2,0,0]=4 1021 B8R1.22 OC1CNCCNC1 AM90255 [0,0,1,1,0,0|2,0,0]=4 1022 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,1,1,0,0|2,0,0]=4 1023 B8R1.36 CCCNCC1CC1 AMY2642 [0,0,1,1,0,0|2,0,0]=4 1024 B8R1.49 C1=CCCCCCC1 AMY11766 [0,0,1,1,0,0|2,0,0]=4 1025 B8R1.49 C1=CCCCCCC1 AMY19666 [0,0,1,1,0,0|2,0,0]=4 1026 B8R1.38 N[C@@H](CO)C1CCC1 AM9072 [0,0,1,1,0,0|1,0,0]=3 1027 B8R1.47 OCC1CC(CO)C1 AM85953 [0,0,1,1,0,0|2,0,0]=4 1028 B8R1.47 OC[C@@H]1C[C@H](CO)N1 AMY32372 [0,0,1,1,0,0|2,0,0]=4 1029 B8R1.47 OC[C@H]1C[C@H](CO)C1 AM85911 [0,0,1,1,0,0|2,0,0]=4 1030 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,0,1,1,0,0|1,0,0]=3 1031 B8R1.60 CCC1(CO)COC1 AMY32104 [0,0,1,1,0,0|2,0,0]=4 1032 B8R1.60 CNC1(CO)COC1 AMY33752 [0,0,1,1,0,0|2,0,0]=4 1033 B8R1.60 COC1(CN)CNC1 AMY35792 [0,0,1,1,0,0|2,0,0]=4 1034 B8R1.60 NCC1(CO)CCC1 AM20070606 [0,0,1,1,0,0|2,0,0]=4 1035 B8R1.60 OCC1(CO)CCC1 AMY37376 [0,0,1,1,0,0|2,0,0]=4 1036 B8R2.18 OC1CC2CC2C1 AMY26501 [1,0,0,1,0,0|1,0,0]=3 1037 B8R2.23 C1NCC2CC1C2 AMY26080 [1,0,0,1,0,0|2,0,0]=4 1038 B8R2.23 C1NCC2CC1O2 AM10861 [1,0,0,1,0,0|1,0,0]=3 1039 B8R2.23 C1NCC2CC1O2 AMY12205 [1,0,0,1,0,0|1,0,0]=3 1040 B8R2.23 C1OCC2CC1N2 AM803637 [1,0,0,1,0,0|2,0,0]=4 1041 B8R2.25 C1CC2OC2CO1 AMY11235 [1,0,0,1,0,0|2,0,0]=4 1042 B8R2.34 C1=CC2CCC1C2 AMY10401 [1,0,0,1,0,0|1,0,1]=4 1043 B8R2.34 C1CC2CC1CN2 AMY6354 [1,0,0,1,0,0|1,0,0]=3 1044 B8R2.34 C1CC2CCC1N2 AM20070524 [1,0,0,1,0,0|2,0,0]=4 1045 B8R2.34 C1CC2CCC1N2 AMY11781 [1,0,0,1,0,0|2,0,0]=4 1046 B8R2.34 C1OC2CNC1C2 AMY33619 [1,0,0,1,0,0|1,0,0]=3 1047 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [1,0,0,1,0,0|1,0,0]=3 1048 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [1,0,0,1,0,0|1,0,0]=3 1049 B8R2.22 C1CC2CNCC12 AM806556 [0,0,0,1,1,0|2,0,0]=4 1050 B8R2.22 C1NC2COCC12 AM806551 [0,0,0,1,1,0|2,0,0]=4 1051 B8R2.55 C1CC2(CC2)CN1 AM806555 [0,0,0,1,1,0|2,0,0]=4 1052 B8R2.55 C1CC2(CC2)CN1 AMY26252 [0,0,0,1,1,0|2,0,0]=4 1053 B8R2.55 C1CNC2(C1)CC2 AMY33805 [0,0,0,1,1,0|2,0,0]=4 1054 B10R2.41 OC1C2CCC1CNC2 AMY35275 [0,0,0,1,0,1|1,0,0]=3 1055 B10R2.409 C1CN2CCC(CC2)N1 AMY32373 [0,0,0,1,0,1|2,0,0]=4 1056 B10R2.62 OC1CC2CCC1NC2 AMY33980 [0,1,0,1,0,0|1,0,0]=3 1057 B10R2.62 O[C@H]1CN2CCC1CC2 AMY39446 [0,1,0,1,0,0|2,0,0]=4 1058 B10R2.62 O[C@H]1CN2CCC1CC2 AMY40173 [0,1,0,1,0,0|2,0,0]=4 1059 B10R2.178 O=C1CCC2CCC1C2 AM20070492 [0,1,0,1,0,0|2,0,0]=4 1060 B10R2.442 CCC12CNC(CO1)C2 AM806488 [0,1,0,1,0,0|2,0,0]=4 1061 B10R2.71 NC1CC2CCC(C1)C2 AMY34043 [0,1,0,1,0,0|2,0,0]=4 1062 B10R2.71 NC1CC2CCC(C1)O2 AMY19585 [0,1,0,1,0,0|1,0,0]=3 1063 B10R2.71 O=C1CC2CCC(C1)O2 AMY34022 [0,1,0,1,0,0|1,0,1]=4 1064 B10R2.408 B1C2CCCC1CCC2 AMY14781 [0,1,0,1,0,0|2,0,0]=4 1065 B10R2.408 C1CC2CNCC(C1)C2 AMY5578 [0,1,0,1,0,0|2,0,0]=4 1066 B10R2.534 N[C@H]1CCCC2(CC2)C1 AM806496 [0,1,0,1,0,0|2,0,0]=4 1067 B10R2.351 O=C(O)C1C2CCCC21 AMY21210 [0,1,0,1,0,0|1,0,1]=4 1068 B10R2.355 O=C(O)C1NCC2CC21 AMY15169 [0,1,0,1,0,0|1,0,1]=4 1069 B10R2.357 O=C(O)C1CC2CC2C1 AMY34042 [0,1,0,1,0,0|1,0,1]=4 1070 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 AMY35678 [0,1,0,1,0,0|1,0,1]=4 1071 B10R2.7 C1CC2COCC2CN1 AM806486 [0,1,0,1,0,0|2,0,0]=4 1072 B10R2.7 C1CC2OCCC2CN1 AM806485 [0,1,0,1,0,0|2,0,0]=4 1073 B10R2.7 C1CCC2CNCC2C1 AM20070530 [0,1,0,1,0,0|2,0,0]=4 1074 B10R2.7 C1CNC2CNCC2C1 AMY21694 [0,1,0,1,0,0|2,0,0]=4 1075 B10R2.7 C1CN[C@@H]2CNC[C@@H]2C1 AMY30084 [0,1,0,1,0,0|2,0,0]=4 1076 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 AMY501 [0,1,0,1,0,0|2,0,0]=4 1077 B10R2.7 C1CO[C@H]2CNC[C@@H]2N1 AMY35765 [0,1,0,1,0,0|2,0,0]=4 1078 B10R2.7 C1C[C@@H]2CCO[C@H]2CN1 AM806487 [0,1,0,1,0,0|2,0,0]=4 1079 B10R2.484 C1CC2(CCN1)CCO2 AMY34634 [0,1,0,1,0,0|2,0,0]=4 1080 B10R2.484 C1CC2(CCN1)COC2 AM20020024 [0,1,0,1,0,0|2,0,0]=4 1081 B10R2.484 C1CC2(CCN1)COC2 AMY41972 [0,1,0,1,0,0|2,0,0]=4 1082 B10R2.484 C1CC2(CCN1)COC2 AMY7780 [0,1,0,1,0,0|2,0,0]=4 1083 B10R2.484 C1CCC2(CC1)CCN2 AM806498 [0,1,0,1,0,0|2,0,0]=4 1084 B10R2.484 C1CCC2(CC1)CNC2 AM804210 [0,1,0,1,0,0|2,0,0]=4 1085 B10R2.484 C1CCC2(CCC2)NC1 AM806497 [0,1,0,1,0,0|2,0,0]=4 1086 B10R2.484 C1CCC2(CCC2)NC1 AMY33888 [0,1,0,1,0,0|2,0,0]=4 1087 B10R2.484 C1CCC2(CNC2)OC1 AM803192 [0,1,0,1,0,0|1,0,0]=3 1088 B10R2.484 C1CNCC2(C1)CCO2 AMY34633 [0,1,0,1,0,0|2,0,0]=4 1089 B10R2.484 C1CNCC2(C1)COC2 AM20020004 [0,1,0,1,0,0|2,0,0]=4 1090 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,0,1,0|1,0,0]=3 1091 B6R1.2 Br[C@H]1CCNC1 AM101739 [1,0,0,0,1,0|2,0,0]=4 1092 B6R1.2 Br[C@H]1CCNC1 AM101740 [1,0,0,0,1,0|2,0,0]=4 1093 B6R1.2 Br[C@H]1CCNC1 AM101781 [1,0,0,0,1,0|2,0,0]=4 1094 B6R1.2 Br[C@H]1CCNC1 AM91615 [1,0,0,0,1,0|2,0,0]=4 1095 B6R1.2 Br[C@H]1CCNC1 AM96305 [1,0,0,0,1,0|2,0,0]=4 1096 B6R1.2 Br[C@H]1CCNC1 AM96372 [1,0,0,0,1,0|2,0,0]=4 1097 B6R1.2 Br[C@H]1CCOC1 AM20090126 [1,0,0,0,1,0|2,0,0]=4 1098 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,0,1,0|0,0,2]=4 1099 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,0,1,0|1,0,1]=4 1100 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,0,1,0|0,0,0]=2 1101 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,0,1,0|1,0,0]=3 1102 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,0,1,0|1,0,0]=3 1103 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,0,1,0|1,0,0]=3 1104 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,0,1,0|1,0,0]=3 1105 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,0,1,0|1,0,0]=3 1106 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,0,1,0|1,0,0]=3 1107 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,0,1,0|1,0,0]=3 1108 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,0,1,0|0,0,0]=2 1109 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,0,1,0|1,0,0]=3 1110 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,0,1,0|1,0,0]=3 1111 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,0,1,0|1,0,0]=3 1112 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,0,1,0|1,0,0]=3 1113 B6R1.2 Cl[C@H]1CCNC1 AM90551 [1,0,0,0,1,0|2,0,0]=4 1114 B6R1.2 Cl[C@H]1CCNC1 AM90553 [1,0,0,0,1,0|2,0,0]=4 1115 B6R1.2 Cl[C@H]1CCNC1 AM90576 [1,0,0,0,1,0|2,0,0]=4 1116 B6R1.2 Cl[C@H]1CCNC1 AM90577 [1,0,0,0,1,0|2,0,0]=4 1117 B6R1.2 Cl[C@H]1CCNC1 AM91617 [1,0,0,0,1,0|2,0,0]=4 1118 B6R1.2 Cl[C@H]1CCNC1 AM96290 [1,0,0,0,1,0|2,0,0]=4 1119 B6R1.2 Cl[C@H]1CCOC1 AM100455 [1,0,0,0,1,0|2,0,0]=4 1120 B6R1.2 F[C@H]1CCNC1 AM20080115 [1,0,0,0,1,0|2,0,0]=4 1121 B6R1.2 F[C@H]1CCNC1 AM20080270 [1,0,0,0,1,0|2,0,0]=4 1122 B6R1.2 F[C@H]1CCNC1 AM20080271 [1,0,0,0,1,0|2,0,0]=4 1123 B6R1.2 F[C@H]1CCNC1 AM20090020 [1,0,0,0,1,0|2,0,0]=4 1124 B6R1.2 F[C@H]1CCNC1 AMY41754 [1,0,0,0,1,0|2,0,0]=4 1125 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,0,1,0|1,0,0]=3 1126 B6R1.2 I[C@H]1CCNC1 AM91594 [1,0,0,0,1,0|2,0,0]=4 1127 B6R1.2 I[C@H]1CCNC1 AM91619 [1,0,0,0,1,0|2,0,0]=4 1128 B6R1.2 I[C@H]1CCNC1 AM91621 [1,0,0,0,1,0|2,0,0]=4 1129 B6R1.2 I[C@H]1CCNC1 AM92136 [1,0,0,0,1,0|2,0,0]=4 1130 B6R1.2 I[C@H]1CCNC1 AM95453 [1,0,0,0,1,0|2,0,0]=4 1131 B6R1.2 I[C@H]1CCNC1 AM96429 [1,0,0,0,1,0|2,0,0]=4 1132 B6R1.2 I[C@H]1CCOC1 AM20080159 [1,0,0,0,1,0|2,0,0]=4 1133 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,0,1,0|1,0,1]=4 1134 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,0,1,0|1,0,0]=3 1135 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,0,1,0|2,0,0]=4 1136 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,0,1,0|2,0,0]=4 1137 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,0,1,0|2,0,0]=4 1138 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,0,1,0|2,0,0]=4 1139 B6R1.2 N[C@H]1CCOC1 AM20080063 [1,0,0,0,1,0|2,0,0]=4 1140 B6R1.2 N[C@H]1CCOC1 AM20120276 [1,0,0,0,1,0|2,0,0]=4 1141 B6R1.2 N[C@H]1CCOC1 AM62692 [1,0,0,0,1,0|2,0,0]=4 1142 B6R1.2 N[C@H]1CCOC1 AMY4352 [1,0,0,0,1,0|2,0,0]=4 1143 B6R1.2 N[C@H]1CCOC1 AMY5964 [1,0,0,0,1,0|2,0,0]=4 1144 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,0,1,0|0,0,2]=4 1145 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,0,1,0|0,0,2]=4 1146 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,0,1,0|0,0,0]=2 1147 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,0,1,0|0,0,0]=2 1148 B6R1.2 O[C@@H]1CCNO1 AMY37646 [1,0,0,0,1,0|1,0,0]=3 1149 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,0,1,0|1,0,0]=3 1150 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,0,1,0|1,0,0]=3 1151 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,0,1,0|1,0,0]=3 1152 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,0,1,0|1,0,0]=3 1153 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,0,1,0|1,0,0]=3 1154 B6R1.2 O[C@H]1CCNO1 AMY37647 [1,0,0,0,1,0|1,0,0]=3 1155 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,0,1,0|1,0,0]=3 1156 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,0,1,0|1,0,0]=3 1157 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,0,1,0|1,0,0]=3 1158 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,0,1,0|1,0,0]=3 1159 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,0,1,0|1,1,0]=4 1160 B6R1.6 BrCC1CCC1 AM20070598 [0,0,0,0,2,0|1,0,0]=3 1161 B6R1.6 BrCC1COC1 AM807116 [0,0,0,0,2,0|2,0,0]=4 1162 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,0,0,0,2,0|1,0,0]=3 1163 B6R1.6 ClCC1CCC1 AMY31015 [0,0,0,0,2,0|1,0,0]=3 1164 B6R1.6 ClCC1COC1 AM807016 [0,0,0,0,2,0|2,0,0]=4 1165 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,0,0,0,2,0|1,0,0]=3 1166 B6R1.6 ICC1CCC1 AMY34464 [0,0,0,0,2,0|1,0,0]=3 1167 B6R1.6 ICC1COC1 AM807382 [0,0,0,0,2,0|2,0,0]=4 1168 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,0,0,0,2,0|1,0,0]=3 1169 B6R1.6 N#CC1CCC1 AM20070614 [0,0,0,0,2,0|1,0,1]=4 1170 B6R1.6 NCC1CCC1 AM20070613 [0,0,0,0,2,0|1,0,0]=3 1171 B6R1.6 NCC1COC1 AM20020041 [0,0,0,0,2,0|2,0,0]=4 1172 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,0,0,0,2,0|2,0,0]=4 1173 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,0,0,0,2,0|1,0,0]=3 1174 B6R1.6 NNC1CCC1 AM9769 [0,0,0,0,2,0|2,0,0]=4 1175 B6R1.6 NNC1CCC1 AM9783 [0,0,0,0,2,0|2,0,0]=4 1176 B6R1.6 O=CC1CCC1 AM90197 [0,0,0,0,2,0|0,0,2]=4 1177 B6R1.6 OCC1CCC1 AM90211 [0,0,0,0,2,0|0,0,0]=2 1178 B6R1.6 OCC1CNC1 AM20120333 [0,0,0,0,2,0|1,0,0]=3 1179 B6R1.6 OCC1CNC1 AMY6173 [0,0,0,0,2,0|1,0,0]=3 1180 B6R1.6 OCC1COC1 AM806983 [0,0,0,0,2,0|1,0,0]=3 1181 B6R1.6 OC[C@H]1CCO1 AM807004 [0,0,0,0,2,0|0,0,0]=2