0 B7R0.1 BrCCCCCCBr AMY11215 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCCCC AMY25742 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 C=CCCCCCO AMY7500 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.1 ClCCCCCCCl AM84762 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 NCCCCCCO AMY18359 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 NCCCCCCS AMY32225 [0,0,0,0,0,0|1,1,2]=4 6 B7R0.1 NCCCNCCBr AM20090252 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 OCCCCCCBr AMY2822 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 OCCCCCCCl AMY25606 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 OCCCNCCO AMY15136 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 OCCCOCCCl AM806608 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 BrCCCCCBr AMY11214 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 C=CCCCCBr AM84859 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 C=CCCCCO AM20100796 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.6 C=COCCCN AMY3063 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CCCCCCN AMY21942 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCCCNCC AMY3985 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.6 CCOCCC#N AMY40959 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCOCCCN AMY21920 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 CCOCCCO AM20080058 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.6 CCOCOCC AMY25683 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 COCCCCBr AMY9376 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 COCCCCO AM20080057 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 C\C=C\CCCO AMY2616 [1,0,0,0,0,0|0,0,0]=1 25 B6R0.6 FCCCCCBr AM20100088 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 NCCCCCN AM61576 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 NCCOCCO AMY18064 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 O=CCCCCCl AMY772 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 OCCCCCBr AM20090543 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 OCCOCCBr AMY4498 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 OCCOCCCl AMY9387 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.1 CCOC(=O)CCCBr AM84904 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.1 CCOC(=O)CCCN AM808169 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.1 CCOC(=O)CCCO AMY4323 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.1 CCOCC(=O)OCC AMY4116 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.4 BrCCCCCCCBr AMY11216 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.4 CCCCCCCCBr AMY9377 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.4 CCCCCCCCN AMY21876 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.4 CCCCNCCCC AM20100543 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.4 CCCCNCCCC AMY21922 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.4 CCCCOCCCC AMY14888 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.4 CCCCOCCCC AMY30969 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.4 CCCCOCCCN AMY21912 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.4 CCNCCCNCC AM20070653 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.4 CC\C=C/CCOC=O AM806738 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.4 COCCNCCCO AMY15137 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.4 NCCCCCCCO AMY18876 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.4 NCCCCNCCO AMY30916 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.4 NCCCNCCCN AMY14287 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.4 OCCCCCCCBr AM20070667 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.4 OCCCCCCCO AMY22642 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.4 OCCCNCCCO AMY202100020 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.6 COC(=O)CCCCBr AM20120637 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.7 CC(C)CCCCCBr AM806997 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.7 CC(C)NCCCCO AMY10379 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.7 CCCCCCB(O)O AMY30011 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,0,0,0,0|0,0,3]=4 63 B8R0.7 CCCCCC[C@H](C)N AMY21971 [0,1,0,0,0,0|1,0,2]=4 64 B8R1.2 BrCC1CCCCC1 AM83288 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.2 BrCC1CCNCC1 AM101156 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 BrCC1CCNCC1 AM90776 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 BrCC1CCNCC1 AMY20339 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.2 BrCC1CCOCC1 AM20080196 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 CCC1CCNCC1 AM803694 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 CCN1CCCCC1 AMY23165 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.2 COC1=CCOCC1 AMY33855 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.2 CSC1=NCCCN1 AMY7072 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.2 ClCC1CCNCC1 AM100418 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 ClCC1CCNCC1 AM100986 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 ClCC1OCCCO1 AM81012 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 ICC1CCNCC1 AM100873 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 ICC1CCNCC1 AM94101 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 ICC1CCOCC1 AM20070671 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,0,0,1,0,0|1,0,1]=3 91 B8R1.2 NCC1CCCCC1 AM803690 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.2 NCC1CCNCC1 AMY3390 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 NCC1CCOCC1 AM20080212 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 NCC1CCOCC1 AM803826 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.2 NCC1CCSCC1 AMY35633 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 OCC1CCCCC1 AM20070443 [0,0,0,1,0,0|0,0,2]=3 101 B8R1.2 OCC1CCNCC1 AM20100583 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.2 OCC1CCOCC1 AM20080366 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.2 OCC1CCSCC1 AMY3090 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,0,0,1,0,0|1,0,1]=3 113 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.5 CC1CCCCC1N AM804248 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.5 CC1CCCNC1C AM81284 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 CC1CNCCC1O AM10443 [0,0,0,1,0,0|1,0,1]=3 127 B8R1.5 CC1CNCCC1O AM803717 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.5 CC1COCCC1N AM91481 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 CC1COCCC1O AM101521 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.5 CC1COCCC1S AM99651 [0,0,0,1,0,0|1,1,1]=4 131 B8R1.5 NC1CCCCC1O AMY1039 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.5 OC1CCNCC1O AMY19280 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.5 OC1CCOCC1F AMY34852 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.8 BrCC[C@H]1CCNC1 AM100071 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.8 BrCC[C@H]1CCNC1 AM100210 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.8 BrCC[C@H]1CCNC1 AM99268 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.8 ClCC[C@H]1CCNC1 AM100163 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.8 ClCC[C@H]1CCNC1 AM100184 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.8 ClCC[C@H]1CCNC1 AM101210 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.8 ICC[C@H]1CCNC1 AM100081 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.8 ICC[C@H]1CCNC1 AM100238 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.8 ICC[C@H]1CCNC1 AM98308 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.8 NCCC1CCCC1 AM20100413 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.8 NCCC1CCCC1 AMY16086 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.8 NCC[C@H]1CCNC1 AM100091 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.8 NCC[C@H]1CCNC1 AM100125 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.8 NCC[C@H]1CCNC1 AM100664 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.8 NCC[C@H]1CCNC1 AM10830 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.8 OCCC1=CC=CS1 AM82007 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.8 OCCC1=CSC=C1 AM61323 [0,0,0,1,0,0|1,0,2]=4 167 B8R1.8 OCCC1=NNC=C1 AMY23474 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.8 OCCC1CCCC1 AMY18681 [0,0,0,1,0,0|0,0,2]=3 169 B8R1.8 OCCN1C=CC=N1 AMY20089 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.8 OCCN1C=CN=C1 AM20080441 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.8 OCCN1C=CN=N1 AMY31719 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.8 OCCN1CCCC1 AM20090391 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,0,0,1,0,0|1,0,1]=3 174 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,0,0,1,0,0|1,0,1]=3 175 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,0,0,1,0,0|1,0,1]=3 176 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,0,0,1,0,0|1,0,1]=3 177 B8R1.8 SCC[C@H]1CCNC1 AM100134 [0,0,0,1,0,0|1,1,1]=4 178 B8R1.8 SCC[C@H]1CCNC1 AM100237 [0,0,0,1,0,0|1,1,1]=4 179 B8R1.8 SCC[C@H]1CCNC1 AM99159 [0,0,0,1,0,0|1,1,1]=4 180 B8R1.10 OCCCC1COC1 AMY19719 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.10 OCCCN1CCC1 AMY37454 [0,0,0,1,0,0|1,0,1]=3 182 B8R1.11 CC1=C(CO)SC=C1 AM804179 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.11 CN1C=CC=C1CO AM100905 [0,0,0,1,0,0|1,0,2]=4 184 B8R1.11 CN1C=CN=C1CO AMY11863 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,0,0,1,0,0|1,0,2]=4 186 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.11 O=C1CCC=C1CO AMY2077 [0,0,0,1,0,0|1,0,2]=4 188 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,1,0,0|1,0,1]=3 191 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,0,1,0,0|1,0,1]=3 194 B8R1.36 CCCNCC1CC1 AMY2642 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.49 C1=CCCC=CCC1 AMY11686 [0,0,0,1,0,0|1,0,1]=3 196 B8R1.49 C1=CCCC=CCC1 AMY11690 [0,0,0,1,0,0|1,0,1]=3 197 B8R1.49 C1=CCCC=CCC1 AMY11752 [0,0,0,1,0,0|1,0,1]=3 198 B8R1.49 C1=CCCC=CCC1 AMY19657 [0,0,0,1,0,0|1,0,1]=3 199 B8R1.49 C1=CCCC=CCC1 AMY19664 [0,0,0,1,0,0|1,0,1]=3 200 B8R1.49 C1=CCCC=CCC1 AMY19798 [0,0,0,1,0,0|1,0,1]=3 201 B8R1.49 C1=CCCC=CCC1 AMY22290 [0,0,0,1,0,0|1,0,1]=3 202 B8R1.49 C1=CCCCCC=C1 AMY19658 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.49 C1=CCCCCCC1 AMY11766 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.49 C1=CCCCCCC1 AMY19666 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.49 C1CNCCCNC1 AMY15750 [0,0,0,1,0,0|2,0,1]=4 206 B5R0.2 BrCCCCBr AM20080049 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 C#CCCCC AMY1242 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.2 C=CCCC=C AMY18716 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.2 C=CCCC=C AMY19739 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.2 C=CCCCBr AM20080066 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|0,0,0]=2 212 B5R0.2 CCC#CCO AMY1239 [2,0,0,0,0,0|0,0,2]=4 213 B5R0.2 CCCCCBr AMY9378 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|0,0,1]=3 215 B5R0.2 CCCCCN AMY21878 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|0,1,0]=3 217 B5R0.2 CCCCNN AMY202003284 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.2 CCO\C=C/Br AM806384 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.2 CNCCCN AM20100546 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 COCCCBr AM20090592 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 COCCCCl AMY25654 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.2 COCCCN AMY21871 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.2 COCCCN AMY38449 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.2 CSCCCCl AMY744 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 ClCCCCI AMY2538 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 ClC\C=C\CCl AMY2667 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.2 NCCCCCl AMY15236 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 NCCCCN AM20090504 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.2 NCCCCO AMY17788 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.2 OC\C=C\CCl AMY768 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.3 CCCC[C@H](N)CO AMY7200 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.3 CCCC[C@H](O)CO AMY11157 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.3 CCCOC(=O)CC AMY21939 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.3 CCOC[C@@H](O)CO AMY318 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.3 COC(=O)CCCN AM803145 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.3 COC(=O)CCCS AMY40461 [1,1,0,0,0,0|1,1,0]=4 239 B7R0.3 OCCC[C@H](O)CO AMY202100026 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.4 CC(=O)NCCCN AMY36360 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.4 CC(C)NCCCO AMY41464 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,1,0,0,0,0|0,0,1]=3 244 B7R0.4 CCCCC[C@H](C)N AMY3809 [1,1,0,0,0,0|0,0,2]=4 245 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.4 CN(C)CCCCO AMY9644 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.4 C[C@H](O)CNCCO AM807035 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.7 C=C(OCC)OCC AM9861 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|0,0,1]=3 251 B7R0.7 CCCC(N)CCC AMY3864 [1,1,0,0,0,0|0,0,2]=4 252 B7R0.7 CCCC(O)CCC AMY23531 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.7 CCC[C@H](N)CCO AM20100578 [1,1,0,0,0,0|0,0,1]=3 254 B7R0.7 CCNC(=O)NCC AMY25735 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.7 CCOC(=O)CCN AM803889 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.7 CCOC(=O)CCO AMY20483 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.7 CCOC(=O)CNC AM82644 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.7 CCOC(=O)CNC AMY3815 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.7 CCOC(=O)COC AMY3969 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.7 CCOC(=O)CSC AMY33462 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.7 CCOC(=O)OCC AMY11101 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.5 CCOC(=O)CCCC=O AM85359 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.5 CCOC(=O)CCCCBr AM20080354 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.18 O=C(NCCO)NCCO AMY12229 [0,2,0,0,0,0|2,0,0]=4 266 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [0,2,0,0,0,0|2,0,0]=4 267 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.2 CC\C=C\CCOC(C)=O AM806731 [0,2,0,0,0,0|0,0,2]=4 271 B9R0.45 NCCCOCCCCO AMY21928 [0,2,0,0,0,0|0,0,2]=4 272 B9R0.45 NCCOCCOCCO AMY4573 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.45 OCCCCCCCCCl AM62618 [0,2,0,0,0,0|0,0,2]=4 274 B9R0.45 OCCNCCNCCO AM20100148 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.45 OCCOCCOCCBr AMY4497 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.45 OCCOCCOCCO AMY375 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.45 OCCSCCSCCO AMY25705 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.47 C=C(C)C(=O)OCCCO AMY18806 [0,2,0,0,0,0|1,0,1]=4 279 B7R1.1 BrCC1CCCC1 AMY6992 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [1,0,0,1,0,0|1,0,1]=4 281 B7R1.1 BrC[C@H]1CCNC1 AM91583 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.1 BrC[C@H]1CCNC1 AM94346 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.1 C=CC1=NCCO1 AMY10793 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.1 CCC1=NCCO1 AM84318 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.1 CC[C@H]1CCCN1 AMY37675 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.1 CC[C@H]1CCNC1 AMY34423 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.1 ClC[C@H]1CCNC1 AM101443 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.1 ClC[C@H]1CCNC1 AM91070 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.1 IC[C@H]1CCNC1 AM91584 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.1 IC[C@H]1CCNC1 AM94098 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.1 IC[C@H]1CCOC1 AMY33647 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.1 NCC1CCCC1 AM20100430 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.1 NCC1CCCC1 AM804123 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.1 NC[C@H]1CCCO1 AM81808 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.1 NC[C@H]1CCCO1 AM81809 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.1 NC[C@H]1CCOC1 AM20070698 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.1 NC[C@H]1CCOC1 AM20070699 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.1 NC[C@H]1CCOC1 AM20080467 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.1 NC[C@H]1CCOC1 AM20090079 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.1 O=CC1=CCCC1 AMY30885 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,1,0,0|0,0,0]=2 306 B7R1.1 OCC1CCCC1 AM20090579 [1,0,0,1,0,0|0,0,1]=3 307 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.1 OC[C@H]1CCCN1 AM20100639 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.1 OC[C@H]1CCCN1 AM803960 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.1 OC[C@H]1CCCN1 AM82208 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 OC[C@H]1CCCO1 AM81815 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.1 OC[C@H]1CCCO1 AMY19266 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.1 OC[C@H]1CCNC1 AM20080050 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.1 OC[C@H]1CCNC1 AM20100247 [1,0,0,1,0,0|1,0,0]=3 315 B7R1.1 OC[C@H]1CCNC1 AMY20013 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.1 OC[C@H]1CCOC1 AM20080182 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.1 OC[C@H]1CCOC1 AM20080421 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.1 OC[C@H]1CCOC1 AMY23730 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.1 SC[C@H]1CCNC1 AM98788 [1,0,0,1,0,0|1,1,0]=4 320 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.3 BrC1CCNCC1 AM101554 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.3 BrC1CCNCC1 AM20100339 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 BrC1CCNCC1 AM90402 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 BrC1CCOCC1 AM90079 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.3 CC1=CCNCC1 AMY33784 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 CC1=CCOCC1 AMY5953 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.3 CC1=COCCC1 AMY6007 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 CC1CCNCC1 AMY23280 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.3 CC1CCOCC1 AMY6168 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.3 CC1SCCCS1 AMY24701 [1,0,0,1,0,0|1,1,0]=4 332 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,1,0,0|0,0,0]=2 334 B7R1.3 C[C@H]1CCCCN1 AM20080042 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.3 C[C@H]1CCCCN1 AM81342 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.3 C[C@H]1CNCCO1 AM20090347 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.3 C[C@H]1CNCCO1 AM85055 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.3 C[C@H]1CNCCO1 AMY21629 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.3 C[C@H]1CNCCO1 AMY9349 [1,0,0,1,0,0|1,0,1]=4 343 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 ClC1CCCCC1 AM90219 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.3 ClC1CCNCC1 AM100920 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.3 ClC1CCNCC1 AM20100323 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.3 ClC1CCOCC1 AM794 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.3 FC1CCNCC1 AM20100405 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.3 FC1CCOCC1 AM100580 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.3 IC1CCNCC1 AM101380 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.3 IC1CCNCC1 AM94352 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.3 IC1CCOCC1 AM20090312 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 NC1CCCCC1 AM802905 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.3 NC1CCNCC1 AM85323 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 NC1CCNCC1 AM85335 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 NC1CCOCC1 AM20090495 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 NC1CCOCC1 AM20100013 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 NC1CCOCC1 AM669 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 NC1CCSCC1 AMY32230 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 NC1CCSCC1 AMY3238 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.3 OC1CCNCC1 AM20100322 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.3 OC1CCNCC1 AMY24233 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.3 OC1CCSCC1 AMY37357 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.3 O[C@H]1CCCNC1 AM101043 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.3 O[C@H]1CCCNC1 AM20090141 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.3 O[C@H]1CCCNC1 AM20100189 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.3 O[C@H]1CCCNC1 AM20100577 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.3 O[C@H]1CCCNC1 AM20100636 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.3 O[C@H]1CCCOC1 AM20090136 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.3 SC1CCCCC1 AMY11243 [1,0,0,1,0,0|0,1,1]=4 376 B7R1.3 SC1CCOCC1 AM100476 [1,0,0,1,0,0|1,1,0]=4 377 B7R1.4 CC1CNCC1O AM806548 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.4 NC1CCCC1O AMY1026 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.4 O=C1NCC[C@H]1O AMY14450 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.6 NCCC1CCC1 AMY34747 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.6 OCCC1CCC1 AM807009 [1,0,0,1,0,0|0,0,1]=3 389 B7R1.6 OCCC1COC1 AMY19718 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.6 OCCN1CCC1 AM806453 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.6 OCCN1CCC1 AMY37413 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.7 CCOC[C@H]1CO1 AM20100065 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.24 C1CNCCNC1 AM100887 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.24 C1CNCCOC1 AM20090058 [1,0,0,1,0,0|1,0,0]=3 396 B9R1.2 CCN1CCC[C@H](O)C1 AM20080247 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.2 CN1CCC[C@H](CO)C1 AM20100739 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,1,0,0|0,0,1]=3 401 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.7 CC1=CC=C(CCO)O1 AMY16284 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.8 BrCCN1CCCCO1 AM806071 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.8 COCC1CCNCC1 AM100768 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.8 COCC1CCNCC1 AM20120325 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.8 COC[C@H]1CCCNC1 AM101145 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.8 COC[C@H]1CCCNC1 AM90790 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.8 NCCN1CCCCO1 AM806000 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.8 OCCC1CCOCC1 AM100846 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.8 OCCN1CCCCC1 AMY9422 [0,1,0,1,0,0|0,0,2]=4 414 B9R1.8 OCCN1CCCCO1 AM806477 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.8 OCCN1CCNCC1 AM20070679 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.8 OCCN1CCOCC1 AMY9419 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [0,1,0,1,0,0|0,0,0]=2 418 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [0,1,0,1,0,0|0,0,2]=4 419 B9R1.8 OCC[C@@H]1COCCN1 AMY1958 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [0,1,0,1,0,0|0,0,2]=4 421 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [0,1,0,1,0,0|0,0,2]=4 422 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [0,1,0,1,0,0|0,0,2]=4 423 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [0,1,0,1,0,0|0,0,2]=4 424 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [0,1,0,1,0,0|0,0,2]=4 425 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [0,1,0,1,0,0|0,0,2]=4 426 B9R1.12 CCCCC1=CCC=C1 AMY2875 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.12 OCCCN1CCCC1 AMY38662 [0,1,0,1,0,0|0,0,2]=4 428 B9R1.15 CCC1CCCCC1O AM20070485 [0,1,0,1,0,0|0,0,2]=4 429 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [0,1,0,1,0,0|0,0,2]=4 430 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [0,1,0,1,0,0|0,0,2]=4 431 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [0,1,0,1,0,0|0,0,2]=4 432 B9R1.15 OCC1CCNCC1O AM100522 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.15 OCC1CNCCC1O AM101136 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.33 O=C1NCCN1CCO AMY802 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.50 OC1CCCCCCC1 AMY39481 [0,1,0,1,0,0|0,0,2]=4 438 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,1,0,1,0,0|0,0,1]=3 439 B9R1.73 CCOC(=O)C1CCC1 AM20070593 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.73 CCOC(=O)[C@@H]1CCN1 AMY6563 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.75 CCOC(=O)CC1CC1 AMY4002 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.183 CCOC(=O)C1CC1F AMY5885 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F AMY5677 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.14 CCN1C=CC=C1CO AM101417 [0,1,0,1,0,0|0,0,2]=4 445 B9R1.14 CCN1C=CN=C1CO AM101059 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.17 OCCCCC1COC1 AMY32111 [0,1,0,1,0,0|0,0,2]=4 447 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [0,1,0,1,0,0|0,0,2]=4 448 B9R1.89 OC[C@H]1CNCCCO1 AMY20125 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.1 CC1CCC(CO)CC1 AM9715 [0,1,0,1,0,0|0,0,2]=4 450 B9R1.1 CN1CCC(CO)CC1 AM20090164 [0,1,0,1,0,0|1,0,1]=4 451 B9R1.1 COC1=CC[C@@H](O)CC1 AMY23663 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AM84270 [0,1,0,1,0,0|0,0,2]=4 454 B9R1.1 N[C@H]1CC[C@H](CO)CC1 AMY34311 [0,1,0,1,0,0|0,0,2]=4 455 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,1,0,0|0,0,1]=3 456 B9R1.1 O=C1CO[C@@H](CO)CN1 AMY21703 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.1 OCC1CCC(O)CC1 AMY36580 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.1 OC[C@H]1CC[C@H](O)CC1 AM9734 [0,1,0,1,0,0|0,0,2]=4 459 B9R1.3 CC1CNCC(C)C1O AM100736 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.3 CC1COCC(C)C1O AM98424 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.11 COC(=O)C1=CCCC1 AM20090313 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.118 NC1(CO)CCOCC1 AM20100686 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.118 OCC1(O)CCNCC1 AM101523 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.118 OC[C@]1(O)CCCNC1 AM101344 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.6 O=C(O)[C@@H]1CC=CCC1 AM10071 [0,1,0,1,0,0|0,0,1]=3 467 B9R1.6 O=C(O)[C@@H]1CC=CCC1 AMY3991 [0,1,0,1,0,0|0,0,1]=3 468 B9R1.6 O=C(O)[C@H]1CC=CCC1 AMY4035 [0,1,0,1,0,0|0,0,1]=3 469 B9R1.148 C[C@]1(O)CCCNCC1 AM806272 [0,1,0,1,0,0|1,0,1]=4 470 B9R2.65 OCC1[C@H]2COC[C@H]12 AMY34304 [0,0,0,2,0,0|1,0,1]=4 471 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 AMY24256 [0,0,0,2,0,0|1,0,1]=4 472 B9R2.39 OC1CC2CC1CN2 AMY34715 [0,0,0,2,0,0|1,0,1]=4 473 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 AMY35676 [0,0,0,2,0,0|1,0,1]=4 474 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 AMY35669 [0,0,0,2,0,0|1,0,1]=4 475 B9R2.3 C1CC2CNCC2O1 AM806530 [0,0,0,2,0,0|1,0,1]=4 476 B9R2.3 C1CC2OCCC2N1 AM806529 [0,0,0,2,0,0|1,0,1]=4 477 B9R2.3 C1NCC2COCC12 AM806528 [0,0,0,2,0,0|1,0,1]=4 478 B9R2.3 C1NC[C@@H]2COC[C@H]12 AMY21370 [0,0,0,2,0,0|1,0,1]=4 479 B9R2.3 C1NC[C@@H]2COC[C@H]12 AMY21542 [0,0,0,2,0,0|1,0,1]=4 480 B9R2.7 O=C1C[C@H]2C=CC[C@@H]12 AMY16788 [0,0,0,2,0,0|0,0,2]=4 481 B9R2.173 C1C[C@@]2(CCO2)CN1 AM20020015 [0,0,0,2,0,0|1,0,1]=4