0 B12R1.28 C#CCCCC=1CCCC(=O)C1 Amb25125767 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.28 CC#CCCC1CC(=O)CCC1 Amb25767922 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.28 CC1CCCC(CNCCC)N1 Amb20090316 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.28 CCCCCC1=CC=CC(=O)O1 Amb19668103 [0,0,0,0,0,0|0,0,4]=4 4 B12R1.28 CCCCCN1CCCC(C1)N Amb17470487 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.28 CCCCN=C1NC(=O)CCS1 Amb25313078 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.28 CCCCNC=1CCCC(=O)C1 Amb25258387 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.28 CCC\C=C\C=1CCCC(=O)C1 Amb25322886 [0,0,0,0,0,0|1,0,3]=4 8 B12R1.28 CC\C=C/CC1CCCC(=O)O1 Amb21520399 [0,0,0,0,0,0|0,0,2]=2 9 B12R1.28 CC\C=C\CC1CCCC(=O)O1 Amb25227687 [0,0,0,0,0,0|0,0,2]=2 10 B12R1.28 CC\C=C\CC1CCCC(O)O1 Amb25741380 [0,0,0,0,0,0|0,0,4]=4 11 B12R1.28 COC\C=C\C1CC(=O)CCC1 Amb25059571 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.28 CO\C=C\CC1CC(=O)CCC1 Amb24614738 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.28 C\C=C\CCC1CCCC(=O)O1 Amb22731235 [0,0,0,0,0,0|0,0,2]=2 14 B12R1.28 C\C=C\CCC1CCCC(O)O1 Amb24584043 [0,0,0,0,0,0|0,0,4]=4 15 B12R1.28 C\C=C\CCC=1CCCC(=O)C1 Amb24490923 [0,0,0,0,0,0|1,0,3]=4 16 B12R1.28 C\C=C\COC1CC(=O)CCC1 Amb24643647 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.28 N#CCCCC=1CCCC(=O)C1 Amb18645905 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.28 N#CCCCN1CC(=O)CCC1 Amb24485611 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.28 N#CCCNC1CC(=O)CCC1 Amb24456951 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.28 [N-]=[N+]=NCCC1CC(=O)CCC1 Amb25758766 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.24 C=CCCC1CCCC(=O)N1 Amb25790615 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.24 CC1CCCC(CNCC)O1 Amb24701298 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.24 CCCCC1=CC(=O)CCC1 Amb17593800 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.24 CCCCC1C=CCC(=O)N1 Amb24484938 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.24 CCCCC1CC(=O)CCC1 Amb24485994 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.24 CCCCC1CC(=O)CCN1 Amb24183850 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.24 CCCCC1CC(=O)CCO1 Amb24415155 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.24 CCCCC1CC(=O)CCS1 Amb24486265 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.24 CCCCC1CC=CC(=O)C1 Amb24621497 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.24 CCCCC1CCCC(=O)O1 Amb10807434 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.24 CCCCC1CCCC(Cl)C1 Amb25090748 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.24 CCCCC1CCCC(O)C1 Amb24704856 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.24 CCCCC1CCCC(O)O1 Amb25686218 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.24 CCCCC1CCNC(=O)N1 Amb24560997 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.24 CCCCC1CNCC(=O)N1 Amb25233143 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.24 CCCCC1COCC(=O)N1 Amb24631709 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.24 CCCCN1CC(=O)NCC1 Amb24065908 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.24 CCCC[C@@H]1CCC[C@@H](O)O1 Amb24618777 [1,0,0,0,0,0|0,0,2]=3 39 B11R1.24 CCCC[C@@H]1CCC[C@H](O)O1 Amb24515589 [1,0,0,0,0,0|0,0,2]=3 40 B11R1.24 CCCC[C@H]1CC(=O)CCC1 Amb24722780 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.24 CCCC[C@H]1CCCC(=O)N1 Amb24376413 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.24 CCCC[C@H]1CCNC(=O)N1 Amb24470814 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.24 CCCN=C1CCCC(=O)C1 Amb25272505 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.24 CCCOC1CC(=O)CCC1 Amb25345496 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.24 CCCOC=1CCCC(=O)C1 Amb25263662 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.24 CCCSC1CC(=O)CCC1 Amb24509264 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.24 CCC\N=C\1/CCCC(=O)C1 Amb25151444 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.24 CC\C=C\C1CC(=O)CCC1 Amb25844579 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.24 CNCCC1CC(=O)NCC1 Amb25032406 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.24 COCCC1CCCC(=O)N1 Amb25077282 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.24 COCCC1COCC(=O)N1 Amb25368670 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.24 COCOC1CC(=O)CCC1 Amb24486244 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.24 CSCCC1CCNC(=S)O1 Amb25840410 [1,0,0,0,0,0|2,1,0]=4 54 B11R1.24 CSCCC=1CCCC(=O)C1 Amb25128213 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.24 CSCCN1CC(=O)CCC1 Amb24488349 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 Amb25809423 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.24 C\C=C/CC1CC(=O)CCC1 Amb24572031 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.24 C\C=C\CC1CC(=O)CCC1 Amb25059757 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.24 N#CCCC1CC(=O)CCC1 Amb18125303 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.24 NCCCC1CC(=O)NCC1 Amb25697471 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.24 NCCCC1CCCC(=O)N1 Amb18200144 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.24 O=C1CCCC(CCCCl)=C1 Amb24487855 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.24 O=C1CCCC(\C=C\CBr)O1 Amb25176460 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.24 O=C1CN(CCCCl)CCC1 Amb25114624 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.24 O=C1CN(CCCF)CCC1 Amb24665429 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.24 OCCCC1CC(=O)CCC1 Amb24485794 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.24 OCCCC1CC=CC(=O)O1 Amb25204203 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.24 OCCCC1CCCC(=O)N1 Amb18199970 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.24 OCCC[C@@H]1CC=CC(=O)O1 Amb24340466 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.24 OC\C=C\C1CCCC(=O)O1 Amb25740653 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.28 CCCCCC1CNCCC1 Amb22642855 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.28 CCCCCC1CNCCO1 Amb24761722 [1,0,0,0,0,0|1,0,1]=3 74 B11R1.28 CCCCCN1CCCCC1 Amb10573561 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.28 CCCCC[C@@H]1CCCCN1 Amb25380517 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.28 CCCCNC1CC=CCC1 Amb24764817 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.28 CCCCNC1CCCC=C1 Amb24764722 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.28 CCCCNC1CNCCC1 Amb18182153 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.28 CCCCNC1COCCC1 Amb25385885 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.28 CCCCNC1CSCCC1 Amb18315275 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.28 CCCCSC1CCCCC1 Amb17672783 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.28 CCCCSC1CNCCC1 Amb18803882 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.28 CCCCSC1COCCC1 Amb24755869 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.28 CCCNCC1CCC=CO1 Amb18183022 [1,0,0,0,0,0|1,0,1]=3 85 B11R1.28 CCCNCC1CCCCC1 Amb1042518 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.28 CCCNCC1CCCCC1 Amb2119490 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.28 CCCNCC1CCCCN1 Amb18305259 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.28 CCCNCC1CCCCS1 Amb24754590 [1,0,0,0,0,0|1,1,1]=4 89 B11R1.28 CCCNCC1CCCNC1 Amb17232186 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.28 CCCNCC1CCOCO1 Amb24755261 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.28 CCCNCC1CNCCO1 Amb18799973 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.28 CCCNCC1COCCC1 Amb19008394 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.28 CCCNCC1COCCO1 Amb19012809 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.28 CCCNCC1OCCCO1 Amb24755512 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.28 CCCOCC1CCCCN1 Amb18797153 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.28 CCCOCC1CNCCC1 Amb18797152 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.28 CCCSCC1CCCCN1 Amb18803880 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.28 CCCSCC1CNCCC1 Amb18183806 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,0,0,0|1,0,1]=3 100 B11R1.28 CCNCCC1CNCCC1 Amb18313379 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.28 CCNCCC1COCCC1 Amb22411363 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.28 CCOCCC1CCCCN1 Amb17773408 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.28 CCOCCC1CCCCN1 Amb21955088 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.28 CCOCCC1CNCCC1 Amb19020994 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.28 CCOCCC1CNCCC1 Amb21955086 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.28 CCONCC1CCC=CO1 Amb25381689 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.28 CCSCCC1CCCCC1 Amb24762472 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.28 CCSCCC1CCCCN1 Amb17503513 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.28 CCSCCC1CNCCC1 Amb18308556 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.28 CNCCCC1CCCCN1 Amb18799769 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.28 CNCCCC1CNCCC1 Amb18182155 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.28 COCCSC1CCCC=C1 Amb25382913 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.28 CONCCC1CCCCO1 Amb24762428 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.28 ClCCCCC1CCCC=C1 Amb25383945 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.28 ICCCOC1CCCCO1 Amb24761942 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.28 NCCNCC1CCC=CO1 Amb18183101 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.28 NCCNCC1CCCCO1 Amb19014581 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,0,0,0|1,0,2]=4 121 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.28 OCCCCC1CNCCC1 Amb22749319 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.28 OCCCCN1CCCCO1 Amb24750658 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.28 OCCCOC1CCCCO1 Amb25383986 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 OCCNCC1CCC=CO1 Amb18799801 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.28 OCCOCC1CCCCO1 Amb18800345 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.28 SCCNCC1CCCCO1 Amb25386156 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.6 CC#CCCCC=1CCCC(=O)C1 Amb24492793 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.6 CC1CCCC(C1)CCCCCC Amb22229365 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.6 CC1CCCC(CNCCCC)N1 Amb20090355 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.6 CCCC=C=CC1CCCC(=O)N1 Amb25054074 [0,1,0,0,0,0|1,0,2]=4 132 B13R1.6 CCCCC#CC1CC(=O)CCC1 Amb25112538 [0,1,0,0,0,0|1,0,1]=3 133 B13R1.6 CCCCC#CC1CCCC(O)O1 Amb25098655 [0,1,0,0,0,0|0,0,3]=4 134 B13R1.6 CCCCC#CC=1CCCC(=O)C1 Amb24686447 [0,1,0,0,0,0|1,0,2]=4 135 B13R1.6 CC\C=C/CCC1CCCC(=O)O1 Amb22734229 [0,1,0,0,0,0|0,0,1]=2 136 B13R1.15 CCC(=O)NCC1CCCC(=O)N1 Amb25079024 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.18 CCCNC(=O)C1CC(=O)CCC1 Amb25347727 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.55 CC=1CC(CC(=O)C1)CCCCC Amb20621710 [0,1,0,0,0,0|1,0,2]=4 139 B13R1.55 CCCCCC1CC(=O)C=C(O)C1 Amb21962886 [0,1,0,0,0,0|1,0,2]=4 140 B13R1.55 CCCCCC1CC(=O)CC(=O)C1 Amb22230019 [0,1,0,0,0,0|1,0,1]=3 141 B13R1.55 CCCCCC1CC(O)CC(=O)O1 Amb10549438 [0,1,0,0,0,0|0,0,0]=1 142 B13R1.55 C\C=C\CC[C@@H]1C[C@@H](O)CC(=O)O1 Amb25333764 [0,1,0,0,0,0|0,0,2]=3 143 B13R1.55 C\C=C\CC[C@@H]1C[C@H](O)CC(=O)O1 Amb25215871 [0,1,0,0,0,0|0,0,2]=3 144 B13R1.55 C\C=C\CC[C@H]1C[C@@H](O)CC(=O)O1 Amb24570006 [0,1,0,0,0,0|0,0,2]=3 145 B13R1.149 CC(C\C=C\C1CCCC(=O)C1)C Amb17594632 [0,1,0,0,0,0|1,0,2]=4 146 B13R1.8936 CC1(CC(=O)CCC1)CCCC#N Amb18128517 [0,1,0,0,0,0|2,0,1]=4 147 B13R1.8936 CC1(C\C=C\CCl)CCCC(=O)O1 Amb24490033 [0,1,0,0,0,0|1,0,2]=4 148 B11R0.4 BrCCC(=O)NCCCOCC Amb17329325 [0,0,1,0,0,0|3,0,0]=4 149 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [0,0,1,0,0,0|2,0,0]=3 150 B11R0.4 CCCC(=O)OCCOCCO Amb24057535 [0,0,1,0,0,0|2,0,0]=3 151 B11R0.4 CCCC(=O)OC\C=C\CCC Amb22337790 [0,0,1,0,0,0|0,0,2]=3 152 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [0,0,1,0,0,0|1,0,2]=4 153 B11R0.4 CCCCCCNC(=O)CC#N Amb1229979 [0,0,1,0,0,0|2,0,1]=4 154 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [0,0,1,0,0,0|1,0,0]=2 155 B11R0.4 CCCCCCOC(=O)CC#N Amb17210535 [0,0,1,0,0,0|1,0,1]=3 156 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [0,0,1,0,0,0|3,0,0]=4 157 B11R0.4 CCCOCCOC(=O)CC#N Amb17210532 [0,0,1,0,0,0|2,0,1]=4 158 B11R0.4 CCCSCCNC(=O)CCBr Amb17328045 [0,0,1,0,0,0|3,0,0]=4 159 B11R0.4 CCCSCCNC(=O)CCCl Amb17332009 [0,0,1,0,0,0|3,0,0]=4 160 B11R0.4 CCOC(=O)CCCCCCO Amb22230670 [0,0,1,0,0,0|3,0,0]=4 161 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [0,0,1,0,0,0|3,0,0]=4 162 B11R0.4 CCOCCCNC(=O)CCN Amb21958976 [0,0,1,0,0,0|3,0,0]=4 163 B11R0.4 CC\C=C/CCOC(=O)CCC Amb22002436 [0,0,1,0,0,0|0,0,2]=3 164 B11R0.4 CNCC(=O)NCCCOCC Amb21958975 [0,0,1,0,0,0|3,0,0]=4 165 B11R0.4 COCC(=O)NCCCCCN Amb18103652 [0,0,1,0,0,0|3,0,0]=4 166 B11R0.4 COCCCCNC(=O)CCBr Amb17333024 [0,0,1,0,0,0|3,0,0]=4 167 B11R0.4 C\C=C\C(=O)OCCCCCC Amb22363334 [0,0,1,0,0,0|0,0,2]=3 168 B11R0.4 ClCCC(=O)NCCCOCC Amb1141305 [0,0,1,0,0,0|3,0,0]=4 169 B11R0.4 NCCC(=O)NCCCOCC Amb1125128 [0,0,1,0,0,0|3,0,0]=4 170 B11R0.4 OCCCCCNC(=O)CCBr Amb17330350 [0,0,1,0,0,0|3,0,0]=4 171 B11R0.4 OCCCCCNC(=O)CCCl Amb17332133 [0,0,1,0,0,0|3,0,0]=4 172 B11R0.4 OCCCCCNC(=O)NCC Amb13883049 [0,0,1,0,0,0|3,0,0]=4 173 B11R0.4 OCCCCCNC(=O)OCC Amb13883047 [0,0,1,0,0,0|3,0,0]=4 174 B11R0.77 CCCCCC(CC)OC(C)=O Amb22229392 [0,0,1,0,0,0|0,0,0]=1 175 B11R0.80 CCCCCC(OCC)OCC Amb15693454 [0,0,1,0,0,0|2,0,1]=4 176 B11R0.140 C=CCCCC(O)CCCC=C Amb22892833 [0,0,1,0,0,0|1,0,2]=4 177 B11R0.140 CCCCCC(CCCCC)Br Amb10553280 [0,0,1,0,0,0|2,0,1]=4 178 B11R0.140 CCCCCN(CCCCC)O Amb10554077 [0,0,1,0,0,0|2,0,1]=4 179 B11R0.148 C#CCCCCCCCC(O)=O Amb22388895 [0,0,1,0,0,0|0,0,2]=3 180 B11R0.148 CCCC=CCCCCC(O)=O Amb24063196 [0,0,1,0,0,0|0,0,2]=3 181 B11R0.148 CCCCC=CCCCC(O)=O Amb24062906 [0,0,1,0,0,0|0,0,2]=3 182 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [0,0,1,0,0,0|0,0,2]=3 183 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [0,0,1,0,0,0|2,0,1]=4 184 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [0,0,1,0,0,0|2,0,1]=4 185 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [0,0,1,0,0,0|0,0,1]=2 186 B11R0.148 CCCCCCCCCN(C)C Amb22360719 [0,0,1,0,0,0|3,0,0]=4 187 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [0,0,1,0,0,0|0,0,0]=1 188 B11R0.148 CCCCCCCCC[C@H](C)O Amb20240616 [0,0,1,0,0,0|1,0,1]=3 189 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [0,0,1,0,0,0|2,0,0]=3 190 B11R0.148 CCCCCCCCNC(=S)N Amb1152183 [0,0,1,0,0,0|2,1,0]=4 191 B11R0.148 CCCCCCCCNC(N)=N Amb22338463 [0,0,1,0,0,0|3,0,0]=4 192 B11R0.148 CCCCCCCCOC([S-])=S Amb22334140 [0,0,1,0,0,0|1,2,0]=4 193 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [0,0,1,0,0,0|0,0,0]=1 194 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [0,0,1,0,0,0|1,0,0]=2 195 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [0,0,1,0,0,0|0,0,2]=3 196 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [0,0,1,0,0,0|0,0,2]=3 197 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [0,0,1,0,0,0|1,0,0]=2 198 B11R0.148 CCC\C=C\CCCCC(O)=O Amb22411539 [0,0,1,0,0,0|0,0,2]=3 199 B11R0.148 CCNCCOCCCC(O)=O Amb18110845 [0,0,1,0,0,0|2,0,0]=3 200 B11R0.148 N#CCCCSCCCC(=O)O Amb17504253 [0,0,1,0,0,0|2,0,1]=4 201 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [0,0,1,0,0,0|2,0,0]=3 202 B11R0.148 NCCOCCOCCC(O)=O Amb18111401 [0,0,1,0,0,0|3,0,0]=4 203 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [0,0,1,0,0,0|1,0,1]=3 204 B11R0.148 OC(=O)CCOCCOCCBr Amb24057758 [0,0,1,0,0,0|3,0,0]=4 205 B11R0.148 OC(=O)CCOCCOCCS Amb24058079 [0,0,1,0,0,0|3,0,0]=4 206 B11R0.148 OCCOCCOCCC(O)=O Amb24057823 [0,0,1,0,0,0|3,0,0]=4 207 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [0,0,1,0,0,0|0,0,0]=1 208 B11R0.148 [N-]=[N+]=NCCCCCCC(O)=O Amb22407009 [0,0,1,0,0,0|3,0,0]=4 209 B11R0.154 CCCCCC(C)OC(=O)CCl Amb21964729 [0,0,1,0,0,0|1,0,0]=2 210 B11R0.154 CCCCCC(NC(=O)CCl)C Amb1156397 [0,0,1,0,0,0|2,0,0]=3 211 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [0,0,1,0,0,0|3,0,0]=4 212 B11R0.154 CCCNCC(C)OC(=O)CC Amb18265945 [0,0,1,0,0,0|1,0,0]=2 213 B13R2.13 CC1CCCC(N1)C2CCCC2 Amb25297681 [0,0,0,1,0,0|2,0,1]=4 214 B13R2.13 O=C1CC(CCC1)C2CCCO2 Amb24467012 [0,0,0,1,0,0|2,0,0]=3 215 B13R2.13 O=C1CC(CCC1)C2COCC2 Amb25152573 [0,0,0,1,0,0|2,0,0]=3 216 B13R2.13 O=C1CC(CCC1)N2CCCC2 Amb25756027 [0,0,0,1,0,0|2,0,0]=3 217 B13R2.13 O=C1CC(CCN1)N2CCCC2 Amb24392140 [0,0,0,1,0,0|3,0,0]=4 218 B13R2.13 O=C1CC(OCC1)C2COCC2 Amb25298942 [0,0,0,1,0,0|3,0,0]=4 219 B13R2.13 O=C1CCCN(C1)C2CCCC2 Amb10603078 [0,0,0,1,0,0|2,0,0]=3 220 B13R2.13 O=C1CCC[C@H](N1)C2CCCC2 Amb25255432 [0,0,0,1,0,0|1,0,0]=2 221 B13R2.13 O=C1CNCC(N1)C2CCCC2 Amb24761468 [0,0,0,1,0,0|2,0,0]=3 222 B13R2.13 O=C1COCC(N1)C2CCCC2 Amb25108479 [0,0,0,1,0,0|2,0,0]=3 223 B13R2.13 O=C1COC[C@H](N1)C2CCCC2 Amb25710310 [0,0,0,1,0,0|2,0,0]=3 224 B13R2.13 O=C1C[C@@H](CCN1)N2CCCC2 Amb24467920 [0,0,0,1,0,0|3,0,0]=4 225 B13R2.13 O=C1C[C@H](CCN1)N2CCCC2 Amb24753899 [0,0,0,1,0,0|3,0,0]=4 226 B13R2.24 OCCC1CC12CC(=O)CCC2 Amb25718470 [0,0,0,1,0,0|2,0,0]=3 227 B13R2.136 COC1CC1C2CC(=O)CCC2 Amb24662446 [0,0,0,1,0,0|2,0,0]=3 228 B13R2.136 O=CC1CC1C2CCCC(=O)O2 Amb25714312 [0,0,0,1,0,0|1,0,1]=3 229 B13R2.136 O=C[C@@H]1C[C@H]1[C@H]2CCCC(=O)O2 Amb24646578 [0,0,0,1,0,0|1,0,1]=3 230 B13R2.136 O=C[C@H]1C[C@@H]1[C@H]2CCCC(=O)O2 Amb24716011 [0,0,0,1,0,0|1,0,1]=3 231 B13R2.136 OCC1CC1C2CCCC(=O)O2 Amb25316284 [0,0,0,1,0,0|1,0,0]=2 232 B13R2.150 C=C1CCC1C2CC(=O)CCC2 Amb24631701 [0,0,0,1,0,0|1,0,2]=4 233 B13R2.270 OCCC1CC2CC1CC(=O)O2 Amb25686181 [0,0,0,1,0,0|1,0,0]=2 234 B13R2.486 CC\C=C\C1C2CCC1CC2=O Amb25713032 [0,0,0,1,0,0|1,0,2]=4 235 B13R2.596 CCC1COC2CC(=O)CC1O2 Amb25838803 [0,0,0,1,0,0|3,0,0]=4 236 B13R2.596 CC[C@@H]1CO[C@H]2CC(=O)C[C@@H]1O2 Amb24631700 [0,0,0,1,0,0|3,0,0]=4 237 B13R2.662 C=CC1CCC2CC(=O)CCC21 Amb25205455 [0,0,0,1,0,0|1,0,2]=4 238 B13R2.662 OC[C@H]1CC[C@H]2CC(=O)OC[C@H]21 Amb25311260 [0,0,0,1,0,0|3,0,0]=4 239 B13R2.2091 CCN1CCC2CCOC(=O)C12 Amb25043606 [0,0,0,1,0,0|3,0,0]=4 240 B13R2.2091 OCC1COC2CCCC(=O)N21 Amb25158055 [0,0,0,1,0,0|3,0,0]=4 241 B13R2.2409 COCC1CC2CC(=O)C1CC2 Amb25718966 [0,0,0,1,0,0|2,0,0]=3 242 B13R2.2409 COC[C@@H]1C[C@H]2CC(=O)[C@@H]1CC2 Amb25202716 [0,0,0,1,0,0|2,0,0]=3 243 B13R2.3021 CC1CCCC(CC2CCC2)N1 Amb24588494 [0,0,0,1,0,0|2,0,1]=4 244 B13R2.3021 O=C1CC(CCC1)NC2CCC2 Amb25158243 [0,0,0,1,0,0|2,0,0]=3 245 B13R2.3021 O=C1CC(CCC1)SC2COC2 Amb24709647 [0,0,0,1,0,0|3,0,0]=4 246 B13R2.3021 O=C1CN(CC2CCC2)CCC1 Amb25079622 [0,0,0,1,0,0|2,0,0]=3 247 B13R2.3473 CC1CCCC12CC(=O)CCO2 Amb24363106 [0,0,0,1,0,0|2,0,0]=3 248 B13R2.3473 CC1CCOC12CC(=O)CCC2 Amb25717788 [0,0,0,1,0,0|2,0,0]=3 249 B13R2.3473 C[C@@H]1CCC[C@]12CC(=O)CCC2 Amb24570455 [0,0,0,1,0,0|1,0,0]=2 250 B13R2.3473 O=C1CCCC12CCCC(=O)N2 Amb24398726 [0,0,0,1,0,0|2,0,1]=4 251 B13R2.3473 OC1CCCC12CCCC(=O)N2 Amb25132169 [0,0,0,1,0,0|2,0,0]=3 252 B13R2.3473 O[C@@H]1CCC[C@]12CC(=O)CCC2 Amb24588905 [0,0,0,1,0,0|2,0,0]=3 253 B13R2.3473 O[C@H]1CCC[C@]12CCCC(=O)N2 Amb24513156 [0,0,0,1,0,0|2,0,0]=3 254 B13R2.3477 O=C1CC2CCCC(Cl)C1CC2 Amb25159387 [0,0,0,1,0,0|2,0,0]=3 255 B13R2.3729 NC1C[C@H]2CCCCC[C@H]2CC1 Amb24714895 [0,0,0,1,0,0|2,0,1]=4 256 B13R2.3729 N[C@H]1C[C@H]2CCCCC[C@H]2CC1 Amb24670338 [0,0,0,1,0,0|2,0,1]=4 257 B13R2.3729 O=C1CCC2=CCCCCC2C1 Amb24422414 [0,0,0,1,0,0|1,0,2]=4 258 B13R2.3729 O=C1CCC2CCCCC=C2N1 Amb25774403 [0,0,0,1,0,0|1,0,2]=4 259 B13R2.3729 O=C1CCC2CCCCCC2N1 Amb25672141 [0,0,0,1,0,0|1,0,0]=2 260 B13R2.3729 O=C1CCC=2CCCCCC2N1 Amb25034622 [0,0,0,1,0,0|1,0,2]=4 261 B13R2.3729 O=C1CC[C@@H]2CCCNC[C@H]2N1 Amb18826475 [0,0,0,1,0,0|2,0,0]=3 262 B13R2.3729 O=C1CC[C@@H]2CCNCC[C@H]2N1 Amb18826473 [0,0,0,1,0,0|2,0,0]=3 263 B13R2.3729 O=C1CC[C@@H]2CNCCC[C@H]2N1 Amb18826479 [0,0,0,1,0,0|2,0,0]=3 264 B13R2.3729 O=C1CN2CCCCCC2CC1 Amb24524898 [0,0,0,1,0,0|2,0,0]=3 265 B13R2.3729 O=C1C[C@@H]2CCCCC[C@@H]2CC1 Amb25233750 [0,0,0,1,0,0|1,0,0]=2 266 B13R2.3729 O=C1C[C@H]2C=CCCC[C@@H]2CC1 Amb24662319 [0,0,0,1,0,0|1,0,2]=4 267 B13R2.3729 O=C1C[C@H]2CCCCC[C@@H]2CC1 Amb24512411 [0,0,0,1,0,0|1,0,0]=2 268 B13R2.3729 O=C1NCC2CCCCCC2O1 Amb25378885 [0,0,0,1,0,0|1,0,0]=2 269 B13R2.3729 O=C1NC[C@@H]2CCCCC[C@@H]2O1 Amb25276457 [0,0,0,1,0,0|1,0,0]=2 270 B13R2.3729 OC1CC2CCCCCC2CC1 Amb25725466 [0,0,0,1,0,0|1,0,2]=4 271 B13R2.3729 OC1CC2CCCCC[C@@H]2CC1 Amb24630763 [0,0,0,1,0,0|1,0,2]=4 272 B13R2.3729 O[C@@H]1C[C@H]2CCCCC[C@@H]2CC1 Amb25234376 [0,0,0,1,0,0|1,0,2]=4 273 B13R2.3729 O[C@H]1CC2CCCCCC2CC1 Amb25734414 [0,0,0,1,0,0|1,0,2]=4 274 B13R2.4486 CCOC1CC2CCCC(=O)C21 Amb24736326 [0,0,0,1,0,0|2,0,0]=3 275 B13R2.4719 C=C1CC2CC(C1)CCCCC2 Amb24627188 [0,0,0,1,0,0|2,0,0]=3 276 B13R2.4719 O=C1CC2CC(C1)CCCCC2 Amb24400472 [0,0,0,1,0,0|1,0,0]=2 277 B13R2.4719 O=C1CC2CC(CCCCC2)=C1 Amb25116523 [0,0,0,1,0,0|1,0,1]=3 278 B13R2.4818 CC1C=CCC2CCCC(=O)C21 Amb24724077 [0,0,0,1,0,0|1,0,2]=4 279 B13R2.4818 CC1CC=CC2CCCC(=O)C21 Amb25090776 [0,0,0,1,0,0|1,0,2]=4 280 B13R2.4818 CC1CCCC2CCCN(C)C12 Amb25680328 [0,0,0,1,0,0|3,0,0]=4 281 B13R2.4818 CC1CCCC2CNCC(=O)N21 Amb25360925 [0,0,0,1,0,0|2,0,0]=3 282 B13R2.4818 CC1CCCC2NCCC(=O)N21 Amb25039181 [0,0,0,1,0,0|2,0,0]=3 283 B13R2.4818 CN1CCC[C@@H]2CCCC(=O)[C@H]12 Amb25233759 [0,0,0,1,0,0|2,0,0]=3 284 B13R2.4818 C[C@@H]1C=CCC2CCCC(=O)C21 Amb24583104 [0,0,0,1,0,0|1,0,2]=4 285 B13R2.4818 C[C@@H]1C=CC[C@@H]2CCCC(=O)[C@@H]21 Amb24512743 [0,0,0,1,0,0|1,0,2]=4 286 B13R2.4818 C[C@@H]1CCC[C@@H]2CCCC(=O)[C@@H]21 Amb25179727 [0,0,0,1,0,0|1,0,0]=2 287 B13R2.4818 C[C@@H]1CCC[C@@H]2CCCC(=O)[C@H]21 Amb24577779 [0,0,0,1,0,0|1,0,0]=2 288 B13R2.4818 C[C@H]1CCC[C@@H]2CCCC(=O)[C@H]21 Amb24621314 [0,0,0,1,0,0|1,0,0]=2 289 B13R2.4818 OC1CCCC2CCCC(=O)C21 Amb25059725 [0,0,0,1,0,0|2,0,0]=3 290 B13R2.4818 OC1CCCC2CCCC(=O)N21 Amb25056857 [0,0,0,1,0,0|2,0,0]=3 291 B13R2.4818 OC1CCCC2NCCC(=O)C21 Amb25788050 [0,0,0,1,0,0|3,0,0]=4 292 B13R2.4818 OC1CCC[C@@H]2CCCC(=O)N21 Amb24353044 [0,0,0,1,0,0|2,0,0]=3 293 B13R2.4818 O[C@H]1CCC[C@H]2CCCC(=O)[C@@H]21 Amb24608589 [0,0,0,1,0,0|2,0,0]=3 294 B13R2.4820 O=C1CCCC2CCCCCC12 Amb25370732 [0,0,0,1,0,0|1,0,0]=2 295 B13R2.4820 O=C1CCCC2CCCCCN12 Amb24596906 [0,0,0,1,0,0|1,0,0]=2 296 B13R2.4820 O=C1CCCC=2CCCCNC21 Amb25771825 [0,0,0,1,0,0|2,0,1]=4 297 B13R2.4820 O=C1CCC[C@@H]2CCCCC[C@H]12 Amb24698878 [0,0,0,1,0,0|1,0,0]=2 298 B13R2.4820 O=C1CCNC2CCOCCC12 Amb24659921 [0,0,0,1,0,0|3,0,0]=4 299 B13R2.4820 O=C1CCNC2CCSCCC12 Amb24672551 [0,0,0,1,0,0|3,0,0]=4 300 B13R2.4820 O=C1CCOC2CCCCCC12 Amb18826487 [0,0,0,1,0,0|2,0,0]=3 301 B13R2.4820 O=S1CCNC2CCCCCC12 Amb25742446 [0,0,0,1,0,0|3,0,0]=4 302 B13R2.4820 OC1CCC[C@@H]2CCCCC[C@@H]21 Amb25215408 [0,0,0,1,0,0|1,0,2]=4 303 B13R2.5179 CC1CCC=C2CC(=O)CCC21 Amb24582164 [0,0,0,1,0,0|1,0,2]=4 304 B13R2.5179 CC1CCCC2=CC(=O)CC[C@@H]21 Amb25093749 [0,0,0,1,0,0|1,0,1]=3 305 B13R2.5179 CC1CCCC2NC(=O)CNC21 Amb24412967 [0,0,0,1,0,0|2,0,0]=3 306 B13R2.5179 CC1CCCC2NC(C)CCC12 Amb25159555 [0,0,0,1,0,0|2,0,1]=4 307 B13R2.5179 CC1CCCC=2CC(=O)CCC21 Amb25087156 [0,0,0,1,0,0|1,0,2]=4 308 B13R2.5179 CC=1CCCC2CC(=O)CCC12 Amb24706958 [0,0,0,1,0,0|1,0,2]=4 309 B13R2.5179 CN1CCC[C@H]2CC(=O)CC[C@H]12 Amb24614300 [0,0,0,1,0,0|2,0,0]=3 310 B13R2.5179 C[C@@H]1CCCC=2NC(=O)CCC21 Amb25073483 [0,0,0,1,0,0|1,0,2]=4 311 B13R2.5179 C[C@H]1CCC[C@@H]2CC(=O)CCN21 Amb25370720 [0,0,0,1,0,0|2,0,0]=3 312 B13R2.5179 C[C@H]1CCC[C@@H]2NC(=S)CC[C@@H]21 Amb24519307 [0,0,0,1,0,0|1,1,0]=3 313 B13R2.5179 C[C@H]1NCC[C@H]2CC(=O)CC[C@@H]21 Amb24627930 [0,0,0,1,0,0|2,0,0]=3 314 B13R2.5179 NC1CCCC2NC(=O)CCC21 Amb23452730 [0,0,0,1,0,0|2,0,0]=3 315 B13R2.5179 O=C1CCC2C(=C1)CCCC2C Amb17594083 [0,0,0,1,0,0|1,0,1]=3 316 B13R2.5179 O=C1CCC2C(F)CCCC2N1 Amb24493632 [0,0,0,1,0,0|2,0,0]=3 317 B13R2.5179 O=C1CCCC2NC(=O)CCC12 Amb23452690 [0,0,0,1,0,0|2,0,1]=4 318 B13R2.5179 O=C1CCC[C@@H]2NC(=O)CC[C@H]12 Amb24512949 [0,0,0,1,0,0|2,0,1]=4 319 B13R2.5179 O=C1CNC2C(F)CCCC2N1 Amb25188317 [0,0,0,1,0,0|3,0,0]=4 320 B13R2.5331 NC1CC(CCC1)CCC2CC2 Amb24437127 [0,0,0,1,0,0|2,0,1]=4 321 B13R2.5331 O=C1CCCC(=C1)OCC2CC2 Amb24378951 [0,0,0,1,0,0|2,0,1]=4 322 B13R2.11128 CC1CNCC2(O1)CCCCC2 Amb17060676 [0,0,0,1,0,0|2,0,1]=4 323 B13R2.11128 CN1CC2(CCC1)CCCCC2 Amb24632811 [0,0,0,1,0,0|3,0,0]=4 324 B13R2.11128 N=C1SCCC2(N1)CCCCC2 Amb2092756 [0,0,0,1,0,0|3,0,0]=4 325 B13R2.11128 NC1=NCCC2(CCCCC2)S1 Amb25330552 [0,0,0,1,0,0|2,1,0]=4 326 B13R2.11128 O=C1CC2(CCCCC2)NCC1 Amb18826926 [0,0,0,1,0,0|2,0,0]=3 327 B13R2.11128 O=C1CC2(CCCCC2)OCC1 Amb18826491 [0,0,0,1,0,0|2,0,0]=3 328 B13R2.11128 O=C1CC2(CCCCC2)SCC1 Amb18822698 [0,0,0,1,0,0|2,0,0]=3 329 B13R2.11128 O=C1CC2(CCCCN2)CCC1 Amb25751207 [0,0,0,1,0,0|2,0,0]=3 330 B13R2.11128 O=C1CC2(CCCCO2)CCC1 Amb25273060 [0,0,0,1,0,0|2,0,0]=3 331 B13R2.11128 O=C1CC2(CCN1)CCNCC2 Amb18559404 [0,0,0,1,0,0|3,0,0]=4 332 B13R2.11128 O=C1CC2(CCN1)CCNCC2 Amb24179151 [0,0,0,1,0,0|3,0,0]=4 333 B13R2.11128 O=C1CC2(CCNCC2)OCC1 Amb18826005 [0,0,0,1,0,0|3,0,0]=4 334 B13R2.11128 O=C1CC2(CCO1)CCCCC2 Amb24737335 [0,0,0,1,0,0|2,0,0]=3 335 B13R2.11128 O=C1CC2(CCO1)CCNCC2 Amb22233091 [0,0,0,1,0,0|3,0,0]=4 336 B13R2.11128 O=C1CC2(CCOCC2)NCC1 Amb18826015 [0,0,0,1,0,0|3,0,0]=4 337 B13R2.11128 O=C1CC2(CCOCC2)OCC1 Amb18825690 [0,0,0,1,0,0|3,0,0]=4 338 B13R2.11128 O=C1CC2(CCOCC2)SCC1 Amb18821898 [0,0,0,1,0,0|3,0,0]=4 339 B13R2.11128 O=C1CC2(CCSCC2)NCC1 Amb18822347 [0,0,0,1,0,0|3,0,0]=4 340 B13R2.11128 O=C1CC2(CCSCC2)OCC1 Amb18821900 [0,0,0,1,0,0|3,0,0]=4 341 B13R2.11128 O=C1CC2(COCCC2)NCC1 Amb18826016 [0,0,0,1,0,0|3,0,0]=4 342 B13R2.11128 O=C1CC2(CSCCC2)NCC1 Amb18822348 [0,0,0,1,0,0|3,0,0]=4 343 B13R2.11128 O=C1CCCC2(CC=CCC2)N1 Amb24724864 [0,0,0,1,0,0|1,0,2]=4 344 B13R2.11128 O=C1CCCC2(CCCC=C2)N1 Amb25309476 [0,0,0,1,0,0|1,0,2]=4 345 B13R2.11128 O=C1CCCC2(CCCCC2)N1 Amb25150848 [0,0,0,1,0,0|1,0,0]=2 346 B13R2.11128 O=C1CCCC2(CCCCO2)N1 Amb22233058 [0,0,0,1,0,0|2,0,0]=3 347 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Amb24425488 [0,0,0,1,0,0|2,0,0]=3 348 B13R2.11128 O=C1CCCC2(N1)CCNCC2 Amb10069947 [0,0,0,1,0,0|2,0,0]=3 349 B13R2.11128 O=C1CCC[C@]2(CCCC=C2)N1 Amb25287169 [0,0,0,1,0,0|1,0,2]=4 350 B13R2.11128 O=C1CCSC2(CCCCC2)N1 Amb25363493 [0,0,0,1,0,0|2,0,0]=3 351 B13R2.11128 O=C1CCSC2(CCNCC2)N1 Amb25050858 [0,0,0,1,0,0|3,0,0]=4 352 B13R2.11128 O=C1COCC2(CCCCC2)O1 Amb24060708 [0,0,0,1,0,0|1,0,0]=2 353 B13R2.11128 O=C1COCC2(CCNCC2)N1 Amb24537781 [0,0,0,1,0,0|3,0,0]=4 354 B13R2.11128 O=C1C[C@@]2(CCC1)CCCC=C2 Amb24736165 [0,0,0,1,0,0|1,0,2]=4 355 B13R2.11128 O=C1C[C@]2(CCC1)CCCC=C2 Amb25128274 [0,0,0,1,0,0|1,0,2]=4 356 B13R2.11128 O=C1NC2(CCO1)CCNCC2 Amb23440221 [0,0,0,1,0,0|3,0,0]=4 357 B13R2.11128 O=C1NC2(CNCCC2)CCO1 Amb25756619 [0,0,0,1,0,0|3,0,0]=4 358 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb21964417 [0,0,0,1,0,0|2,0,0]=3 359 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb22727974 [0,0,0,1,0,0|2,0,0]=3 360 B13R2.11128 O=C1NCCC2(COCCC2)O1 Amb24664520 [0,0,0,1,0,0|2,0,0]=3 361 B13R2.11128 O=C1NCCC2(CSCCC2)O1 Amb24564764 [0,0,0,1,0,0|2,0,0]=3 362 B13R2.11128 OC1CC2(CCC1)CCCCC2 Amb24567672 [0,0,0,1,0,0|1,0,2]=4 363 B11R1.27 C=CCCC[C@@H]1CCC(=O)N1 Amb24765042 [0,0,0,0,1,0|1,0,2]=4 364 B11R1.27 CC#CCCC1CCC(=O)C1 Amb24464888 [0,0,0,0,1,0|1,0,2]=4 365 B11R1.27 CC#CCCC1CCC(=O)N1 Amb24642621 [0,0,0,0,1,0|1,0,2]=4 366 B11R1.27 CC1CCC(CCCCBr)O1 Amb24754647 [0,0,0,0,1,0|2,0,1]=4 367 B11R1.27 CC1CCC(CCCCC)N1 Amb24755207 [0,0,0,0,1,0|2,0,1]=4 368 B11R1.27 CC1CCC(CCCCCl)O1 Amb24754646 [0,0,0,0,1,0|2,0,1]=4 369 B11R1.27 CC1CCC(CCCCN)O1 Amb24750695 [0,0,0,0,1,0|2,0,1]=4 370 B11R1.27 CC1CCC(CCCCO)O1 Amb24754645 [0,0,0,0,1,0|2,0,1]=4 371 B11R1.27 CC1CCC(CCNCC)O1 Amb24750696 [0,0,0,0,1,0|2,0,1]=4 372 B11R1.27 CC1COC(CCCCC)O1 Amb22229843 [0,0,0,0,1,0|2,0,1]=4 373 B11R1.27 CCCCCC1=CC(=O)CS1 Amb24765347 [0,0,0,0,1,0|2,0,1]=4 374 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [0,0,0,0,1,0|1,0,2]=4 375 B11R1.27 CCCCCC1=NNC(=O)O1 Amb24755475 [0,0,0,0,1,0|2,0,1]=4 376 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [0,0,0,0,1,0|0,0,2]=3 377 B11R1.27 CCCCCC1CC(=O)CC1 Amb24106993 [0,0,0,0,1,0|1,0,0]=2 378 B11R1.27 CCCCCC1CC(=O)CO1 Amb24766911 [0,0,0,0,1,0|2,0,0]=3 379 B11R1.27 CCCCCC1CCC(=O)N1 Amb17940081 [0,0,0,0,1,0|1,0,0]=2 380 B11R1.27 CCCCCC1CCC(=S)N1 Amb17845330 [0,0,0,0,1,0|1,1,0]=3 381 B11R1.27 CCCCCC1COC(N)=N1 Amb25379852 [0,0,0,0,1,0|3,0,0]=4 382 B11R1.27 CCCCCC1NC(=O)CS1 Amb25384627 [0,0,0,0,1,0|2,0,0]=3 383 B11R1.27 CCCCCC1OCC(=C)O1 Amb24763039 [0,0,0,0,1,0|2,0,0]=3 384 B11R1.27 CCCCCC=1CC(=O)CC1 Amb24765342 [0,0,0,0,1,0|1,0,2]=4 385 B11R1.27 CCCCC[C@@H]1CCC(=O)N1 Amb25385733 [0,0,0,0,1,0|1,0,0]=2 386 B11R1.27 CCCCC[C@@H]1CC[C@@H](O)C1 Amb25384687 [0,0,0,0,1,0|1,0,2]=4 387 B11R1.27 CCCCC[C@@H]1CC[C@H](O)C1 Amb25384688 [0,0,0,0,1,0|1,0,2]=4 388 B11R1.27 CCCCC[C@@H]1COC(=O)N1 Amb24765069 [0,0,0,0,1,0|2,0,0]=3 389 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [0,0,0,0,1,0|0,0,0]=1 390 B11R1.27 CCCCC[C@H]1CC[C@@H](O)C1 Amb25384689 [0,0,0,0,1,0|1,0,2]=4 391 B11R1.27 CCCCC[C@H]1CC[C@H](O)C1 Amb25384690 [0,0,0,0,1,0|1,0,2]=4 392 B11R1.27 CCCCNC1CC(=O)CC1 Amb25383691 [0,0,0,0,1,0|2,0,0]=3 393 B11R1.27 CCCCNC1CNC(=O)C1 Amb24755680 [0,0,0,0,1,0|3,0,0]=4 394 B11R1.27 CCCCNC=1CCC(=O)C1 Amb24486855 [0,0,0,0,1,0|2,0,1]=4 395 B11R1.27 CCCCOC1C=CC(=O)O1 Amb24750668 [0,0,0,0,1,0|1,0,2]=4 396 B11R1.27 CCCCOC1CC(=O)CC1 Amb25380438 [0,0,0,0,1,0|2,0,0]=3 397 B11R1.27 CCCCOC1CCC(=O)N1 Amb25384421 [0,0,0,0,1,0|2,0,0]=3 398 B11R1.27 CCCCSC1CCC(=O)N1 Amb24765408 [0,0,0,0,1,0|2,0,0]=3 399 B11R1.27 CCCNCC1CCC(=O)N1 Amb25382477 [0,0,0,0,1,0|2,0,0]=3 400 B11R1.27 CCCSCC1CCC(=O)N1 Amb24766533 [0,0,0,0,1,0|2,0,0]=3 401 B11R1.27 CCC\C=C\C1CCC(=O)C1 Amb25128906 [0,0,0,0,1,0|1,0,2]=4 402 B11R1.27 CCONCC1CNC(=O)O1 Amb24762565 [0,0,0,0,1,0|3,0,0]=4 403 B11R1.27 CC\C=C\CC1CCC(=O)O1 Amb25233581 [0,0,0,0,1,0|0,0,2]=3 404 B11R1.27 COCCNC1CC(=O)CC1 Amb25383698 [0,0,0,0,1,0|3,0,0]=4 405 B11R1.27 COCCOC1CC(=O)CC1 Amb25380437 [0,0,0,0,1,0|3,0,0]=4 406 B11R1.27 COCCSC1COC(=O)O1 Amb24751007 [0,0,0,0,1,0|3,0,0]=4 407 B11R1.27 COCOCC1CCC(=O)N1 Amb24765264 [0,0,0,0,1,0|3,0,0]=4 408 B11R1.27 COCOC[C@@H]1CCC(=O)N1 Amb25384550 [0,0,0,0,1,0|3,0,0]=4 409 B11R1.27 CSCCCN1CC(=O)CC1 Amb24750493 [0,0,0,0,1,0|3,0,0]=4 410 B11R1.27 CSCCOC1CC(=O)CC1 Amb24754721 [0,0,0,0,1,0|3,0,0]=4 411 B11R1.27 N#CCCCC1CC(=O)CC1 Amb18125302 [0,0,0,0,1,0|2,0,1]=4 412 B11R1.27 NCCCCN1CC(=O)CC1 Amb24764555 [0,0,0,0,1,0|3,0,0]=4 413 B11R1.27 NCCOCC1CNC(=O)O1 Amb25379533 [0,0,0,0,1,0|3,0,0]=4 414 B11R1.27 O=CCCCC1CC(=O)CC1 Amb25385702 [0,0,0,0,1,0|2,0,1]=4 415 B11R1.27 O=CCCCC1CCC(=O)N1 Amb24766785 [0,0,0,0,1,0|2,0,1]=4 416 B11R1.27 O=CCCCC1CCC(=O)O1 Amb25385739 [0,0,0,0,1,0|1,0,1]=3 417 B11R1.27 OCCC#CC1CCC(=O)O1 Amb24457892 [0,0,0,0,1,0|1,0,2]=4 418 B11R1.27 OCCCCC=1CCC(=O)C1 Amb24766942 [0,0,0,0,1,0|2,0,1]=4 419 B11R1.27 OCCNCC1CCC(=O)N1 Amb25382480 [0,0,0,0,1,0|3,0,0]=4 420 B11R1.27 OCCNCC1CNC(=O)O1 Amb25382642 [0,0,0,0,1,0|3,0,0]=4 421 B11R1.180 C#CCCCC1CCCC1=O Amb24676912 [0,0,0,0,1,0|0,0,2]=3 422 B11R1.180 C#CCCCC1CCNC1=O Amb24358643 [0,0,0,0,1,0|1,0,2]=4 423 B11R1.180 C#CCCCC1CSCC1=O Amb24486970 [0,0,0,0,1,0|1,0,2]=4 424 B11R1.180 C#CCCCN1CCCC1=O Amb24486969 [0,0,0,0,1,0|1,0,2]=4 425 B11R1.180 C#CCOCC1CCCC1=O Amb25142732 [0,0,0,0,1,0|1,0,2]=4 426 B11R1.180 C=C=CCCC1CCCC1=O Amb25151625 [0,0,0,0,1,0|0,0,3]=4 427 B11R1.180 C=CCCCC1CCNC1=O Amb25385737 [0,0,0,0,1,0|1,0,2]=4 428 B11R1.180 C=CCCCC1CSCC1=O Amb24755634 [0,0,0,0,1,0|1,0,2]=4 429 B11R1.180 C=CCOC[C@@H]1CCCC1=O Amb25382187 [0,0,0,0,1,0|1,0,2]=4 430 B11R1.180 C=COCCC1CCCC1=O Amb24766898 [0,0,0,0,1,0|1,0,2]=4 431 B11R1.180 CC#CCCC1CCCC1=O Amb25151472 [0,0,0,0,1,0|0,0,2]=3 432 B11R1.180 CC#CCCC1CSCC1=O Amb24440572 [0,0,0,0,1,0|1,0,2]=4 433 B11R1.180 CC#CCOC1CCCC1=O Amb25086687 [0,0,0,0,1,0|1,0,2]=4 434 B11R1.180 CC1CCCC1NCCCC Amb24751230 [0,0,0,0,1,0|2,0,1]=4 435 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [0,0,0,0,1,0|0,0,2]=3 436 B11R1.180 CCCCCC1CCCC1N Amb19015844 [0,0,0,0,1,0|1,0,1]=3 437 B11R1.180 CCCCCC1CCCC1O Amb18183110 [0,0,0,0,1,0|0,0,2]=3 438 B11R1.180 CCCCCC1COCC1Cl Amb25383437 [0,0,0,0,1,0|2,0,1]=4 439 B11R1.180 CCCCCC1CSCC1=O Amb24755633 [0,0,0,0,1,0|1,0,0]=2 440 B11R1.180 CCCCCC1CSCC1Br Amb24755620 [0,0,0,0,1,0|2,0,1]=4 441 B11R1.180 CCCCCC1CSCC1Cl Amb24755629 [0,0,0,0,1,0|2,0,1]=4 442 B11R1.180 CCCCCC1CSCC1N Amb24755614 [0,0,0,0,1,0|2,0,1]=4 443 B11R1.180 CCCCCC1CSCC1O Amb24755618 [0,0,0,0,1,0|1,0,2]=4 444 B11R1.180 CCCCCC1OCCC1Cl Amb25386319 [0,0,0,0,1,0|2,0,1]=4 445 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [0,0,0,0,1,0|1,0,0]=2 446 B11R1.180 CCCCCN1CCNC1=S Amb24755203 [0,0,0,0,1,0|2,1,0]=4 447 B11R1.180 CCCCCN1CNCC1=O Amb25379587 [0,0,0,0,1,0|2,0,0]=3 448 B11R1.180 CCCCC[C@@H]1CCCC1=O Amb24766745 [0,0,0,0,1,0|0,0,0]=1 449 B11R1.180 CCCCC[C@H]1CCCC1=O Amb24766930 [0,0,0,0,1,0|0,0,0]=1 450 B11R1.180 CCCCNC1CCCC1N Amb23559214 [0,0,0,0,1,0|2,0,1]=4 451 B11R1.180 CCCCNC1CCCC1O Amb18303638 [0,0,0,0,1,0|1,0,2]=4 452 B11R1.180 CCCCN[C@H]1CCOC1=O Amb24762672 [0,0,0,0,1,0|2,0,0]=3 453 B11R1.180 CCCCOC1CCCC1Br Amb24761922 [0,0,0,0,1,0|2,0,1]=4 454 B11R1.180 CCCCOC1CCCC1O Amb18799957 [0,0,0,0,1,0|1,0,2]=4 455 B11R1.180 CCCCSC1CCCC1O Amb18180458 [0,0,0,0,1,0|1,0,2]=4 456 B11R1.180 CCCCSC1CCNC1=O Amb24755870 [0,0,0,0,1,0|2,0,0]=3 457 B11R1.180 CCCCSC1CCOC1=O Amb24755871 [0,0,0,0,1,0|2,0,0]=3 458 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O Amb25382577 [0,0,0,0,1,0|1,0,2]=4 459 B11R1.180 CCCC\C=C\1/CCCC1=O Amb22552972 [0,0,0,0,1,0|0,0,2]=3 460 B11R1.180 CCC\C=C\C1CCCC1=O Amb24074269 [0,0,0,0,1,0|0,0,2]=3 461 B11R1.180 CCNCCN1CCCC1=O Amb19015601 [0,0,0,0,1,0|2,0,0]=3 462 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [0,0,0,0,1,0|3,0,0]=4 463 B11R1.180 CCOCCC1=CCCC1=O Amb24765018 [0,0,0,0,1,0|1,0,2]=4 464 B11R1.180 CCOCCC1CCCC1=O Amb18177471 [0,0,0,0,1,0|1,0,0]=2 465 B11R1.180 CCOCCC1CCCC1Cl Amb18186040 [0,0,0,0,1,0|2,0,1]=4 466 B11R1.180 CCOCCC1CCCC1N Amb18314692 [0,0,0,0,1,0|2,0,1]=4 467 B11R1.180 CCOCCC1CCCC1O Amb18183285 [0,0,0,0,1,0|1,0,2]=4 468 B11R1.180 CCOCCC1CSCC1=O Amb24755622 [0,0,0,0,1,0|2,0,0]=3 469 B11R1.180 CCOCCN1CNCC1=O Amb25379585 [0,0,0,0,1,0|3,0,0]=4 470 B11R1.180 CCSCCN1CCCC1=N Amb24750271 [0,0,0,0,1,0|3,0,0]=4 471 B11R1.180 CCSCCN1CCNC1=O Amb24762210 [0,0,0,0,1,0|3,0,0]=4 472 B11R1.180 CCSCCN1CNCC1=O Amb24762206 [0,0,0,0,1,0|3,0,0]=4 473 B11R1.180 CN1CCCC1CCCCO Amb24750381 [0,0,0,0,1,0|3,0,0]=4 474 B11R1.180 CNCCCC1CCCN1C Amb23541770 [0,0,0,0,1,0|3,0,0]=4 475 B11R1.180 CNCCCN1CCCC1=O Amb19015452 [0,0,0,0,1,0|2,0,0]=3 476 B11R1.180 CNCCCN1CCNC1=O Amb18306586 [0,0,0,0,1,0|3,0,0]=4 477 B11R1.180 CNCCCN1CCOC1=O Amb18306585 [0,0,0,0,1,0|3,0,0]=4 478 B11R1.180 COCCCC1CCCC1=O Amb18787632 [0,0,0,0,1,0|1,0,0]=2 479 B11R1.180 COCCCC1CCCC1Cl Amb18808937 [0,0,0,0,1,0|2,0,1]=4 480 B11R1.180 COCCCC1CCCC1N Amb19015843 [0,0,0,0,1,0|2,0,1]=4 481 B11R1.180 COCCCC1CCCC1O Amb18183284 [0,0,0,0,1,0|1,0,2]=4 482 B11R1.180 COCCCC1CSCC1=O Amb24755636 [0,0,0,0,1,0|2,0,0]=3 483 B11R1.180 COCCCN1CCCC1=O Amb24064201 [0,0,0,0,1,0|2,0,0]=3 484 B11R1.180 COCCCN1CNCC1=O Amb25379586 [0,0,0,0,1,0|3,0,0]=4 485 B11R1.180 COCCNC1CCNC1=O Amb24751001 [0,0,0,0,1,0|3,0,0]=4 486 B11R1.180 COCCNC1CCSC1=O Amb24751002 [0,0,0,0,1,0|3,0,0]=4 487 B11R1.180 COCCSC1CCNC1=O Amb25382916 [0,0,0,0,1,0|3,0,0]=4 488 B11R1.180 COCCSC1CCOC1=O Amb24751003 [0,0,0,0,1,0|3,0,0]=4 489 B11R1.180 CONCCC1CCOC1=O Amb24762430 [0,0,0,0,1,0|3,0,0]=4 490 B11R1.180 CSCCCN1CCCC1=N Amb24750499 [0,0,0,0,1,0|3,0,0]=4 491 B11R1.180 CSCCCN1CNCC1=O Amb25379588 [0,0,0,0,1,0|3,0,0]=4 492 B11R1.180 C\C=C\OCC1CCCC1=O Amb24706868 [0,0,0,0,1,0|1,0,2]=4 493 B11R1.180 N#CCCCC1CCCC1=O Amb25717939 [0,0,0,0,1,0|1,0,1]=3 494 B11R1.180 N=C1CCCN1CCCCF Amb24750797 [0,0,0,0,1,0|3,0,0]=4 495 B11R1.180 NCCCCN1CCNC1=O Amb19026683 [0,0,0,0,1,0|3,0,0]=4 496 B11R1.180 O=C1CCCN1CCCCCl Amb18184015 [0,0,0,0,1,0|2,0,0]=3 497 B11R1.180 O=C1CNCN1CCCCF Amb24750799 [0,0,0,0,1,0|3,0,0]=4 498 B11R1.180 O=C1CSCN1CCCCBr Amb25383759 [0,0,0,0,1,0|3,0,0]=4 499 B11R1.180 O=C1NCCN1CCCCCl Amb25386331 [0,0,0,0,1,0|3,0,0]=4 500 B11R1.180 O=C1NCCN1CCCCF Amb24750809 [0,0,0,0,1,0|3,0,0]=4 501 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [0,0,0,0,1,0|3,0,0]=4 502 B11R1.180 O=CCCCC1CCCC1=O Amb25383544 [0,0,0,0,1,0|1,0,1]=3 503 B11R1.180 O=CCCCN1CCCC1=O Amb25384628 [0,0,0,0,1,0|2,0,1]=4 504 B11R1.180 OCCCCC1CC=CC1=O Amb24766863 [0,0,0,0,1,0|1,0,2]=4 505 B11R1.180 OCCCCC1CSCC1=O Amb24755632 [0,0,0,0,1,0|2,0,0]=3 506 B11R1.180 OC\C=C\CC1CCCC1=O Amb24612686 [0,0,0,0,1,0|1,0,2]=4 507 B11R1.180 [C-]#[N+]CCCN1CCCC1=O Amb19928634 [0,0,0,0,1,0|2,0,1]=4 508 B11R1.180 [N-]=[N+]=NCCC1CCCC1=O Amb25328034 [0,0,0,0,1,0|3,0,0]=4 509 B13R1.1148 C#CCCCC1CC(=O)CCCC1 Amb25137368 [0,0,0,0,0,1|1,0,2]=4 510 B13R1.1148 CC#CCCC1CC(=O)CCCC1 Amb24757506 [0,0,0,0,0,1|1,0,2]=4 511 B10R0.1 CC(CCC)CCCCCC Amb22731138 [1,0,1,0,0,0|1,0,1]=4 512 B10R0.1 CCCC(=O)NCCCCCl Amb24072355 [1,0,1,0,0,0|2,0,0]=4 513 B10R0.1 CCCC(=O)NCCCCO Amb17102979 [1,0,1,0,0,0|2,0,0]=4 514 B10R0.1 CCCC(=O)OCCCCO Amb21929137 [1,0,1,0,0,0|1,0,0]=3 515 B10R0.1 CCCCCNC(=O)CCO Amb17334465 [1,0,1,0,0,0|2,0,0]=4 516 B10R0.1 CCCCCNC(=O)COC Amb23247528 [1,0,1,0,0,0|2,0,0]=4 517 B10R0.1 CCNC(=O)CCNCCC Amb18797397 [1,0,1,0,0,0|2,0,0]=4 518 B10R0.1 CCOC(=O)CCCOCC Amb22336385 [1,0,1,0,0,0|2,0,0]=4 519 B10R0.1 NCCCCCC(=O)OCC Amb10553125 [1,0,1,0,0,0|2,0,0]=4 520 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,1,0,0,0|0,0,2]=4 521 B10R0.71 C=CCCCCCCCCCl Amb22898754 [1,0,1,0,0,0|2,0,0]=4 522 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,1,0,0,0|2,0,0]=4 523 B10R0.71 CCCCCCCCCOC Amb2582537 [1,0,1,0,0,0|2,0,0]=4 524 B10R0.71 CCCCCCCCCSC Amb22230926 [1,0,1,0,0,0|2,0,0]=4 525 B10R0.71 CCCCCCCCC[Mg]Br Amb22000598 [1,0,1,0,0,0|2,0,0]=4 526 B10R0.71 CCCCCCCCC[Zn]Br Amb22000508 [1,0,1,0,0,0|2,0,0]=4 527 B10R0.71 CCCCCCCCOC=O Amb22231360 [1,0,1,0,0,0|1,0,0]=3 528 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,1,0,0,0|2,0,0]=4 529 B10R0.71 CCCCC\C=C\CCC=O Amb10071527 [1,0,1,0,0,0|0,0,2]=4 530 B10R0.71 CCCCNCCCCCO Amb17334477 [1,0,1,0,0,0|1,0,1]=4 531 B10R0.71 CCCCOCCCNCC Amb18183369 [1,0,1,0,0,0|1,0,1]=4 532 B10R0.71 CCCCOCOCCCC Amb10566860 [1,0,1,0,0,0|1,0,1]=4 533 B10R0.71 COCCCCCCCCO Amb17617052 [1,0,1,0,0,0|1,0,1]=4 534 B10R0.71 O=CCCCCC\C=C/CC Amb10807429 [1,0,1,0,0,0|0,0,2]=4 535 B10R0.71 OCCCCCCCCCCl Amb16234125 [1,0,1,0,0,0|1,0,1]=4 536 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,1,0,0,0|2,0,0]=4 537 B10R0.74 CCC(=O)OCCSCCCl Amb24089601 [1,0,1,0,0,0|2,0,0]=4 538 B10R0.74 CCC(=O)OCC\C=C/CC Amb22002437 [1,0,1,0,0,0|0,0,2]=4 539 B10R0.74 CCCCCCCC(=O)SC Amb22366709 [1,0,1,0,0,0|2,0,0]=4 540 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,1,0,0,0|2,0,0]=4 541 B10R0.74 CCCCCCNC(=O)OC Amb17859513 [1,0,1,0,0,0|2,0,0]=4 542 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,0,1,0,0,0|1,0,1]=4 543 B10R0.74 CCCCCCOC(=O)CC Amb22168098 [1,0,1,0,0,0|0,0,0]=2 544 B10R0.74 CCCCCC\C=C(\I)/CC Amb22641682 [1,0,1,0,0,0|2,0,0]=4 545 B10R0.74 CCC\C=C\COC(=O)CC Amb22231411 [1,0,1,0,0,0|0,0,2]=4 546 B10R0.74 CNC(=O)NCCCCCC Amb22347740 [1,0,1,0,0,0|2,0,0]=4 547 B10R0.6 CCCCCC(C)CC(O)=O Amb19375410 [1,0,1,0,0,0|2,0,0]=4 548 B10R0.6 CCCCCC(C)NC(C)=O Amb17798194 [1,0,1,0,0,0|1,0,0]=3 549 B10R0.6 CCCNCC(C)OC(C)=O Amb18265960 [1,0,1,0,0,0|1,0,0]=3 550 B10R0.6 C[C@H](CCCCCl)OC(C)=O Amb22338716 [1,0,1,0,0,0|1,0,0]=3 551 B10R0.24 CCCC(CCCCC)C=O Amb22056097 [1,0,1,0,0,0|0,0,0]=2 552 B10R0.24 CCCC(CCCNC)OC Amb23538338 [1,0,1,0,0,0|1,0,1]=4 553 B10R0.24 CCCCCC(CCC)CO Amb2548411 [1,0,1,0,0,0|0,0,2]=4 554 B10R0.24 CCCCC\C(=C\C=O)\CC Amb10563469 [1,0,1,0,0,0|1,0,1]=4 555 B10R0.24 CCC\C(\C=O)=C\CCCC Amb22360635 [1,0,1,0,0,0|0,0,2]=4 556 B10R0.87 CCCCC(CC(O)=O)CC Amb18797358 [1,0,1,0,0,0|2,0,0]=4 557 B10R0.91 CCCCCC(O)C#CC=O Amb25384622 [1,0,1,0,0,0|0,0,2]=4 558 B10R0.91 CCCCCC(O)CCCC Amb22229971 [1,0,1,0,0,0|0,0,1]=3 559 B10R0.91 CCCCCC(O)\C=C\C=O Amb19930456 [1,0,1,0,0,0|0,0,2]=4 560 B10R0.91 CCCCC[C@H](O)C#CC=O Amb24765100 [1,0,1,0,0,0|0,0,2]=4 561 B10R0.4 CCCCCC#CCC(O)=O Amb25384153 [1,0,1,0,0,0|0,0,2]=4 562 B10R0.4 CCCCCCCCB(O)O Amb2456044 [1,0,1,0,0,0|1,0,1]=4 563 B10R0.4 CCCCCCCCC([O-])=O Amb22729912 [1,0,1,0,0,0|0,0,1]=3 564 B10R0.4 CCCCCCCCS(=O)C Amb10553782 [1,0,1,0,0,0|2,0,0]=4 565 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [1,0,1,0,0,0|1,0,1]=4 566 B10R0.4 CCCCCCCC[C@@H](O)C Amb10068518 [1,0,1,0,0,0|1,0,1]=4 567 B10R0.4 CCCCCCCC[N+]([O-])=O Amb17672610 [1,0,1,0,0,0|1,0,1]=4 568 B10R0.4 CCCCCCCC[Sn](O)=O Amb22729697 [1,0,1,0,0,0|1,0,0]=3 569 B10R0.4 CCCCCCCNC(N)=O Amb17939018 [1,0,1,0,0,0|2,0,0]=4 570 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,1,0,0,0|2,0,0]=4 571 B10R0.4 CCCCC\C=C\CC(=O)O Amb17593915 [1,0,1,0,0,0|0,0,2]=4 572 B10R0.4 CCOCCCCCC(O)=O Amb22234334 [1,0,1,0,0,0|1,0,0]=3 573 B10R0.4 CNCCOCCCC(O)=O Amb18106300 [1,0,1,0,0,0|2,0,0]=4 574 B10R0.4 COCCCOCCC(O)=O Amb18180046 [1,0,1,0,0,0|2,0,0]=4 575 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,1,0,0,0|1,0,0]=3 576 B10R0.4 NCCCCCCCC(O)=O Amb19929586 [1,0,1,0,0,0|1,0,0]=3 577 B10R0.4 NCCCCCCNC(O)=O Amb22494605 [1,0,1,0,0,0|2,0,0]=4 578 B10R0.4 NCCCOCCCC(O)=O Amb18111568 [1,0,1,0,0,0|2,0,0]=4 579 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,0,1,0,0,0|2,0,0]=4 580 B10R0.4 OC(=O)CCCCCCCS Amb22353760 [1,0,1,0,0,0|1,0,0]=3 581 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [1,0,1,0,0,0|2,0,0]=4 582 B10R0.4 [O-]C(=O)CCCCCCCBr Amb22015198 [1,0,1,0,0,0|1,0,1]=4 583 B10R1.10 CCCC1CC(=O)CCC1 Amb22754799 [2,0,0,0,0,0|1,0,0]=3 584 B10R1.10 CCCC1CC(=O)CCN1 Amb18643754 [2,0,0,0,0,0|2,0,0]=4 585 B10R1.10 CCCC1CC(=O)CCN1 Amb22235732 [2,0,0,0,0,0|2,0,0]=4 586 B10R1.10 CCCC1CC(=O)CCO1 Amb24661952 [2,0,0,0,0,0|2,0,0]=4 587 B10R1.10 CCCC1CC(=O)CCS1 Amb25759710 [2,0,0,0,0,0|2,0,0]=4 588 B10R1.10 CCCC1CC=CC(=O)O1 Amb24099235 [2,0,0,0,0,0|0,0,2]=4 589 B10R1.10 CCCC1CCCC(=O)O1 Amb10807378 [2,0,0,0,0,0|0,0,0]=2 590 B10R1.10 CCCC1CCCC(O)O1 Amb25045659 [2,0,0,0,0,0|0,0,2]=4 591 B10R1.10 CCCC=1CCCC(=O)C1 Amb25704046 [2,0,0,0,0,0|1,0,1]=4 592 B10R1.10 CCCN1CCCC(=O)C1 Amb16187099 [2,0,0,0,0,0|2,0,0]=4 593 B10R1.10 CCC[C@@H]1CC(=O)CCN1 Amb24641836 [2,0,0,0,0,0|2,0,0]=4 594 B10R1.10 CCC[C@H]1CC(=O)CCC1 Amb25145507 [2,0,0,0,0,0|1,0,0]=3 595 B10R1.10 CCNC1CC(=O)CCC1 Amb24505176 [2,0,0,0,0,0|2,0,0]=4 596 B10R1.10 CCOC1CCCC(=O)N1 Amb25147550 [2,0,0,0,0,0|2,0,0]=4 597 B10R1.10 CCSC1CC(=O)CCC1 Amb24529286 [2,0,0,0,0,0|2,0,0]=4 598 B10R1.10 CCSC1CCCC(=O)N1 Amb24477024 [2,0,0,0,0,0|2,0,0]=4 599 B10R1.10 COCC1CC(=O)CCC1 Amb25070154 [2,0,0,0,0,0|2,0,0]=4 600 B10R1.10 COCC1CCCC(=O)N1 Amb25843633 [2,0,0,0,0,0|2,0,0]=4 601 B10R1.10 NCCC1CCCC(=O)N1 Amb18831623 [2,0,0,0,0,0|2,0,0]=4 602 B10R1.10 O=C1CCCC(CCCl)N1 Amb24480654 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.10 O=CCC1CCCC(=O)O1 Amb24408366 [2,0,0,0,0,0|1,0,1]=4 604 B10R1.10 OCCC1CCCC(=O)N1 Amb24478865 [2,0,0,0,0,0|2,0,0]=4 605 B10R1.10 OCCC1CCCC(=O)O1 Amb25317310 [2,0,0,0,0,0|1,0,0]=3 606 B10R1.10 OCC[C@@H]1CC(=O)CCC1 Amb25373305 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.10 OCC[C@H]1CC(=O)CCC1 Amb25792511 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.17 BrCCCC1CCCCO1 Amb25684382 [2,0,0,0,0,0|1,0,1]=4 609 B10R1.17 CCCCC1CCCCN1 Amb2237216 [2,0,0,0,0,0|1,0,1]=4 610 B10R1.17 CCCCC1CNCCC1 Amb18296090 [2,0,0,0,0,0|2,0,0]=4 611 B10R1.17 CCCCC1CNCCO1 Amb17193971 [2,0,0,0,0,0|1,0,1]=4 612 B10R1.17 CCCC[C@@H]1CCCCN1 Amb24456195 [2,0,0,0,0,0|1,0,1]=4 613 B10R1.17 CCCNC1CCCC=C1 Amb25118971 [2,0,0,0,0,0|2,0,0]=4 614 B10R1.17 CCNCC1CCC=CO1 Amb18294961 [2,0,0,0,0,0|1,0,1]=4 615 B10R1.17 CCNCC1CCCCO1 Amb10808747 [2,0,0,0,0,0|1,0,1]=4 616 B10R1.17 CCSCC1CCCCO1 Amb25092472 [2,0,0,0,0,0|1,0,1]=4 617 B10R1.17 CNCCC1CCCCO1 Amb10607311 [2,0,0,0,0,0|1,0,1]=4 618 B10R1.17 CNCCC1CCCCO1 Amb17505552 [2,0,0,0,0,0|1,0,1]=4 619 B10R1.17 CSCCC1CCCCO1 Amb25091304 [2,0,0,0,0,0|1,0,1]=4 620 B10R1.17 ClCCCC1CCCCO1 Amb25264278 [2,0,0,0,0,0|1,0,1]=4 621 B10R1.17 NCCCC1CCCCO1 Amb18251264 [2,0,0,0,0,0|1,0,1]=4 622 B10R1.17 OCCC[C@@H]1CCCC=C1 Amb24481216 [2,0,0,0,0,0|2,0,0]=4 623 B12R0.1 BrCCC(=O)NCCCCOCC Amb17333163 [0,1,1,0,0,0|2,0,0]=4 624 B12R0.1 BrCCCCCCCC(=O)OCC Amb10604167 [0,1,1,0,0,0|2,0,0]=4 625 B12R0.1 CCCC(=O)NCCCCCCO Amb24072634 [0,1,1,0,0,0|1,0,0]=3 626 B12R0.1 CCCCOCCOC(=O)CC#N Amb17210531 [0,1,1,0,0,0|1,0,1]=4 627 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,1,1,0,0,0|0,0,0]=2 628 B12R0.1 CCOC(=O)C#CCCCCCC Amb19888150 [0,1,1,0,0,0|2,0,0]=4 629 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,1,0,0,0|2,0,0]=4 630 B12R0.1 CCOC(=O)CCCCCCCF Amb24063238 [0,1,1,0,0,0|2,0,0]=4 631 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,1,0,0,0|2,0,0]=4 632 B12R0.1 CNCC(=O)NCCCCCCC Amb20141923 [0,1,1,0,0,0|2,0,0]=4 633 B12R0.1 COCC(=O)OCCCNCCC Amb18928632 [0,1,1,0,0,0|1,0,0]=3 634 B12R0.1 C\C=C\C(=O)OCCCCCCC Amb22730254 [0,1,1,0,0,0|0,0,2]=4 635 B12R0.1 ClCCC(=O)NCCCCOCC Amb17331760 [0,1,1,0,0,0|2,0,0]=4 636 B12R0.4 CC(=O)CC(=O)OCCCCCC Amb22230211 [0,1,1,0,0,0|0,0,1]=3 637 B12R0.4 CC(C)CC(=O)NCCCCCN Amb18619115 [0,1,1,0,0,0|2,0,0]=4 638 B12R0.4 CCCCCCCC(=O)OC(C)C Amb22732211 [0,1,1,0,0,0|2,0,0]=4 639 B12R0.4 CCCCCCOC(=O)CC(C)C Amb22168097 [0,1,1,0,0,0|0,0,0]=2 640 B12R0.4 CCC\C=C\COC(=O)CC(C)C Amb22231663 [0,1,1,0,0,0|0,0,2]=4 641 B12R0.4 CC\C=C/CCOC(=O)CC(C)C Amb22363128 [0,1,1,0,0,0|0,0,2]=4 642 B12R0.49 CC(CC)C(=O)OCC\C=C/CC Amb22228875 [0,1,1,0,0,0|0,0,2]=4 643 B12R0.49 CCCCCCOC(=O)C(C)CC Amb22363231 [0,1,1,0,0,0|0,0,0]=2 644 B12R0.114 CCCCCCC(Br)C(=O)OCC Amb21858286 [0,1,1,0,0,0|2,0,0]=4 645 B12R0.206 CCCCC(=O)NCCCCCN Amb18100642 [0,1,1,0,0,0|2,0,0]=4 646 B12R0.206 CCCCC(=O)OCCCCCC Amb22348394 [0,1,1,0,0,0|0,0,0]=2 647 B12R0.206 CCCCC(=O)OC\C=C\CCC Amb22231664 [0,1,1,0,0,0|0,0,2]=4 648 B12R0.206 CCCCCCNC(=O)CCCCl Amb17332518 [0,1,1,0,0,0|1,0,0]=3 649 B12R0.206 CCCCCCOC(=O)CCCCl Amb19960303 [0,1,1,0,0,0|0,0,0]=2 650 B12R0.206 CCCCCCOC(=O)CN=[N+]=[N-] Amb18632987 [0,1,1,0,0,0|2,0,0]=4 651 B12R0.206 CCCNC(=O)NCCCOCC Amb23263177 [0,1,1,0,0,0|2,0,0]=4 652 B12R0.206 CCCNCCNC(=O)CCSC Amb24768782 [0,1,1,0,0,0|2,0,0]=4 653 B12R0.206 CC\C=C/CCOC(=O)CCCC Amb22731452 [0,1,1,0,0,0|0,0,2]=4 654 B12R0.206 ClCCCC(=O)NCCCOCC Amb1140685 [0,1,1,0,0,0|2,0,0]=4 655 B12R0.239 CC(CNCCC)OC(=O)CCC Amb18265968 [0,1,1,0,0,0|1,0,0]=3 656 B12R0.239 CCCCCC(O)CC(=O)OCC Amb19071694 [0,1,1,0,0,0|2,0,0]=4 657 B12R0.285 CCCC(S)CCOC(=O)CCC Amb22168266 [0,1,1,0,0,0|0,0,0]=2 658 B12R0.126 CCCCCC(NC(=O)CBr)CC Amb17327787 [0,1,1,0,0,0|1,0,0]=3 659 B12R0.126 CCCCCC(NC(=O)CCl)CC Amb17333147 [0,1,1,0,0,0|1,0,0]=3 660 B12R0.202 CCCCCCC(CF)NC(C)=O Amb24096317 [0,1,1,0,0,0|2,0,0]=4 661 B12R0.256 CCCCCC(CCF)NC(C)=O Amb24096318 [0,1,1,0,0,0|1,0,0]=3 662 B12R0.642 CCCCCC(C)(CC)NC(C)=O Amb24072214 [0,1,1,0,0,0|1,0,0]=3 663 B12R0.205 CCCC(CCCOC=O)OC=O Amb22365092 [0,1,1,0,0,0|1,0,1]=4 664 B12R0.233 CCCCCC(C)CCCC(O)=O Amb24062978 [0,1,1,0,0,0|1,0,0]=3 665 B12R0.233 CCCCCC(O)CCCC([O-])=O Amb22352105 [0,1,1,0,0,0|0,0,0]=2 666 B12R0.119 CCCCCCCCCP(=O)(C)C Amb16204351 [0,1,1,0,0,0|2,0,0]=4 667 B12R0.119 CCCCCCCCCP(O)(O)=O Amb22388781 [0,1,1,0,0,0|1,0,0]=3 668 B12R0.119 CCCCCCCCCS(=O)(=O)Cl Amb22387375 [0,1,1,0,0,0|1,0,1]=4 669 B12R0.119 [2H]C([2H])(O)CCCCCCCCC Amb21928615 [0,1,1,0,0,0|1,0,1]=4 670 B12R0.184 CCC(=O)NCCCCCC(=O)O Amb1137874 [0,1,1,0,0,0|1,0,1]=4 671 B12R0.234 C=CCCCCCCCCC(=O)[O-] Amb10843808 [0,1,1,0,0,0|0,0,2]=4 672 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [0,1,1,0,0,0|0,0,1]=3 673 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [0,1,1,0,0,0|0,0,1]=3 674 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,1,0,0,0|2,0,0]=4 675 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [0,1,1,0,0,0|0,0,1]=3 676 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,1,0,0,0|1,0,1]=4 677 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [0,1,1,0,0,0|1,0,0]=3 678 B12R0.234 CCCCCCCCCOC([S-])=S Amb19748280 [0,1,1,0,0,0|0,2,0]=4 679 B12R0.234 CCCCCCC\C=C\CC(C)=O Amb21963229 [0,1,1,0,0,0|1,0,1]=4 680 B12R0.234 CNCCOCCOCCC(O)=O Amb24057901 [0,1,1,0,0,0|2,0,0]=4 681 B12R0.234 COCCOCCOCCC(=O)O Amb16184341 [0,1,1,0,0,0|2,0,0]=4 682 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,1,0,0,0|0,0,0]=2 683 B12R0.234 NCCOCCOCCCC(=O)O Amb16184328 [0,1,1,0,0,0|2,0,0]=4 684 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [0,1,1,0,0,0|2,0,0]=4 685 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [0,1,1,0,0,0|0,0,0]=2 686 B12R0.248 CCCCCCCCC[C@@H](O)CCl Amb22736721 [0,1,1,0,0,0|1,0,1]=4 687 B12R0.248 CCCCCCCCC[C@H](O)CCl Amb22736722 [0,1,1,0,0,0|1,0,1]=4 688 B12R0.248 CCCCCCCCC\C(\N)=N\O Amb19046143 [0,1,1,0,0,0|1,0,0]=3 689 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,1,0,0,0|2,0,0]=4 690 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,1,0,0,0|2,0,0]=4 691 B12R0.248 CCCCCCCCOC(=O)CS Amb22735097 [0,1,1,0,0,0|1,1,0]=4 692 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,1,0,0,0|2,0,0]=4 693 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,1,1,0,0,0|0,0,2]=4 694 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [0,1,1,0,0,0|1,0,0]=3 695 B12R0.248 COC(=O)CCCOCCNCC Amb18107249 [0,1,1,0,0,0|2,0,0]=4 696 B12R0.248 NCCCCSCCCC(=O)OC Amb17500973 [0,1,1,0,0,0|2,0,0]=4 697 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [0,1,1,0,0,0|1,0,0]=3 698 B12R0.251 CCCCCCCCC(Br)C(O)=O Amb22347926 [0,1,1,0,0,0|0,0,0]=2 699 B12R0.251 CCCCCCCCC(C)C(O)=O Amb19058533 [0,1,1,0,0,0|0,0,0]=2 700 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,1,1,0,0,0|2,0,0]=4 701 B12R0.251 CCCCCCCC[C@@H](N)C(O)=O Amb22745440 [0,1,1,0,0,0|0,0,0]=2 702 B12R0.251 CCCCCCCOC(C(=O)O)C Amb2445106 [0,1,1,0,0,0|1,0,0]=3 703 B12R0.251 CCCCCCSC[C@H](N)C(O)=O Amb22451174 [0,1,1,0,0,0|1,0,0]=3 704 B12R0.255 CCCCCCC(Br)CCC(N)=O Amb24065437 [0,1,1,0,0,0|1,0,0]=3 705 B12R0.255 CCCCCCC(O)CCC(O)=O Amb19071689 [0,1,1,0,0,0|0,0,0]=2 706 B12R0.255 CCCCCCC(O)CCC([O-])=O Amb19149307 [0,1,1,0,0,0|0,0,1]=3 707 B12R0.268 C=C(F)CCCCCCCC(O)=O Amb22641501 [0,1,1,0,0,0|0,0,2]=4 708 B12R0.268 CC(C)CCCCCCCC(O)=O Amb24117911 [0,1,1,0,0,0|0,0,0]=2 709 B12R0.268 OC(=O)CCCCCCCC(O)=O Amb22336282 [0,1,1,0,0,0|1,0,1]=4 710 B12R0.113 CCCCCCC(C)OC(=O)C=C Amb17934116 [0,1,1,0,0,0|0,0,2]=4 711 B12R0.113 CCCCCCC(C)OC(=O)CCl Amb21858582 [0,1,1,0,0,0|1,0,0]=3 712 B12R0.113 CCCCCCC(NC(=O)CCl)C Amb1156522 [0,1,1,0,0,0|2,0,0]=4 713 B12R0.123 CC(C)C(=O)OC(C)CNCCC Amb18265763 [0,1,1,0,0,0|1,0,0]=3 714 B12R0.123 CCSCCC(C)NC(=O)[C@H](C)N Amb24769404 [0,1,1,0,0,0|2,0,0]=4 715 B12R0.240 ClCC(=O)NC(CCCC(C)C)C Amb1156521 [0,1,1,0,0,0|2,0,0]=4 716 B12R1.17 CC(COC)C1CC(=O)CCC1 Amb24402756 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.17 CCCC(C)N1CC(=O)CCC1 Amb24703206 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.17 CCC[C@@H](O)C=1CCCC(=O)C1 Amb24378977 [1,1,0,0,0,0|1,0,1]=4 719 B12R1.17 CCC[C@@H](O)[C@@H]1CCCC(=O)O1 Amb24642433 [1,1,0,0,0,0|0,0,0]=2 720 B12R1.50 CC(CC)SC1CC(=O)CCC1 Amb25736867 [1,1,0,0,0,0|2,0,0]=4 721 B12R1.50 CC(CC1CC(=O)CCC1)CC Amb25825698 [1,1,0,0,0,0|1,0,0]=3 722 B12R1.50 CC(CC1CCCC(=O)N1)NC Amb24733737 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.50 CC(CC1CNCC(=O)N1)CC Amb25159371 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.50 CC(CC1COCC(=O)N1)CC Amb25378139 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.50 C[C@H](C[C@H]1CNCC(=O)N1)CC Amb24561615 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.50 OC(CC1CCCC(=O)O1)CO Amb25832717 [1,1,0,0,0,0|1,0,0]=3 727 B12R1.100 C=CCCC1CC(O)CC(=O)O1 Amb25097813 [1,1,0,0,0,0|0,0,2]=4 728 B12R1.100 CC1CC(CC(=O)C1)CCCC Amb25729217 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.100 CC1CC(CC(=O)N1)CCCC Amb24453815 [1,1,0,0,0,0|2,0,0]=4 730 B12R1.100 CCCCC1CC(=C)CC(O)C1 Amb25157916 [1,1,0,0,0,0|2,0,0]=4 731 B12R1.100 CCCCC1CC(=O)CC(=O)C1 Amb24737471 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.100 CCCCC1CC(=O)CC(=O)O1 Amb25129035 [1,1,0,0,0,0|0,0,1]=3 733 B12R1.100 CCCCC=1CC(C)CC(=O)C1 Amb25792954 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.100 C[C@@H]1C[C@@H](CC(=O)C1)CCCC Amb24604847 [1,1,0,0,0,0|1,0,0]=3 735 B12R1.100 C[C@H]1CC(CC(=O)C1)CCCC Amb25730292 [1,1,0,0,0,0|1,0,0]=3 736 B12R1.226 CC(C)CCC1CC(=O)CCC1 Amb25152572 [1,1,0,0,0,0|1,0,0]=3 737 B12R1.226 CC(C)CCC1CC(=O)CCO1 Amb24738725 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.226 CC(C)CCC1COCC(=O)N1 Amb24624783 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.226 CC(O)CCC1CC(=O)CCC1 Amb24723973 [1,1,0,0,0,0|1,0,0]=3 740 B12R1.226 CN(C)CCC1CC(=O)CCC1 Amb24723893 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.226 OC(=O)CCC1CCCC(=O)O1 Amb24739726 [1,1,0,0,0,0|1,0,1]=4 742 B12R1.374 CC1CCC(=O)CC1CCCC Amb25735768 [1,1,0,0,0,0|1,0,0]=3 743 B12R1.374 CC1CCC(O)C(CCCC)O1 Amb25246610 [1,1,0,0,0,0|1,0,1]=4 744 B12R1.374 C[C@@H]1CCC(O)O[C@H]1CCCC Amb25215802 [1,1,0,0,0,0|0,0,2]=4 745 B12R1.374 C[C@@H]1CC[C@@H](O)[C@H](CCCC)O1 Amb25176869 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.374 C[C@H]1CC[C@@H](O)[C@H](CCCC)O1 Amb25176870 [1,1,0,0,0,0|1,0,1]=4 747 B12R1.385 CC1CCC(CC1=O)CCCC Amb25334931 [1,1,0,0,0,0|1,0,0]=3 748 B12R1.385 CC1NCC(CCCC)NC1=O Amb24419971 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.385 C[C@H]1NC[C@H](CCCC)NC1=O Amb24631866 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.2277 CCCCC1(C)CC(=O)CCO1 Amb25086660 [1,1,0,0,0,0|2,0,0]=4 751 B12R1.2277 CCCCC1(O)CC(=O)CCC1 Amb24435998 [1,1,0,0,0,0|1,0,0]=3 752 B12R1.1 CCCCCC1CC=C(Br)CC1 Amb22001437 [1,1,0,0,0,0|1,0,1]=4 753 B12R1.1 CCCCCC1CCC(CC1)O Amb16203683 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.1 CCCCCC1CCC(N)CC1 Amb24323753 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.8 BrCCCCOC1CCCCO1 Amb10605338 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.8 CCCCC#CC1CCCCO1 Amb10558594 [1,1,0,0,0,0|0,0,2]=4 757 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [1,1,0,0,0,0|1,0,1]=4 758 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [1,1,0,0,0,0|1,0,1]=4 759 B12R1.8 CCCCCOC1CNCCC1 Amb21957467 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.8 CCCCOCC1CNCCC1 Amb21954811 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.8 CCCC\C=C\C1CCCC=C1 Amb22546770 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.8 CCCOCCC1CCCCN1 Amb21955080 [1,1,0,0,0,0|1,0,1]=4 763 B12R1.8 CCCOCCC1CNCCC1 Amb21955097 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.8 CCCSCCC1CCCCN1 Amb17503510 [1,1,0,0,0,0|1,0,1]=4 765 B12R1.8 CCNCCCC1CCCCN1 Amb18806805 [1,1,0,0,0,0|1,0,1]=4 766 B12R1.8 CCNCCCC1CNCCC1 Amb18802058 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.8 CNCCCCC1CNCCC1 Amb23557906 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.8 ICCCCOC1CCCCO1 Amb22055542 [1,1,0,0,0,0|1,0,1]=4 769 B12R1.8 OCCCCOC1CCCCO1 Amb17620505 [1,1,0,0,0,0|1,0,1]=4 770 B12R1.27 CCC(CCC1CCCCC1)N Amb13951692 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [0,1,0,0,1,0|0,0,1]=3 773 B12R1.7 CCCCCCC1NC(=O)CS1 Amb22442619 [0,1,0,0,1,0|2,0,0]=4 774 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [0,1,0,0,1,0|0,0,0]=2 775 B12R1.7 CC\C=C/CCC1CCC(=O)O1 Amb22353125 [0,1,0,0,1,0|0,0,1]=3 776 B12R1.29 C#CCC[C@@H](O)[C@H]1CCC(=O)O1 Amb25356306 [0,1,0,0,1,0|0,0,2]=4 777 B12R1.31 CCCC(=O)NC1CCC(=O)O1 Amb24072534 [0,1,0,0,1,0|1,0,1]=4 778 B12R1.457 CCC\C=C\C1CC(O)C(=O)O1 Amb25741411 [0,1,0,0,1,0|0,0,2]=4 779 B12R1.457 CCC\C=C\[C@@H]1C[C@@H](Cl)C(=O)O1 Amb24563783 [0,1,0,0,1,0|0,0,2]=4 780 B12R1.457 CCC\C=C\[C@@H]1C[C@H](Cl)C(=O)O1 Amb25362301 [0,1,0,0,1,0|0,0,2]=4 781 B12R1.457 CCC\C=C\[C@@H]1C[C@H](O)C(=O)O1 Amb24733205 [0,1,0,0,1,0|0,0,2]=4 782 B12R1.130 CC(O)C#CCC1CCCC1=O Amb25347513 [0,1,0,0,1,0|0,0,2]=4 783 B12R1.130 CN(C)CCCN1CCCC1=O Amb24080513 [0,1,0,0,1,0|2,0,0]=4 784 B12R1.353 CCC(=O)NCC1CCCC1=O Amb25182918 [0,1,0,0,1,0|1,0,1]=4 785 B12R1.353 COC(=O)CCC1CCCC1=O Amb17400325 [0,1,0,0,1,0|1,0,1]=4 786 B12R1.372 CC#CCCCC1CCCC1=O Amb25128888 [0,1,0,0,1,0|0,0,1]=3 787 B12R1.372 CCCCCCC1CCOC1=O Amb22230226 [0,1,0,0,1,0|1,0,0]=3 788 B12R1.372 CCCCCNC1CCCC1N Amb23559149 [0,1,0,0,1,0|1,0,1]=4 789 B12R1.372 CCCCC\C=C\1/CCCC1=O Amb22359638 [0,1,0,0,1,0|0,0,1]=3 790 B12R1.372 CCNCCCC1CCCN1C Amb23541771 [0,1,0,0,1,0|2,0,0]=4 791 B12R1.372 OCC#CCCC1CCCC1=O Amb25838669 [0,1,0,0,1,0|0,0,2]=4 792 B12R1.460 CCCCC(N)=C1CCCC1=O Amb25784008 [0,1,0,0,1,0|0,0,2]=4 793 B12R1.567 CC1CCC(=O)C1CCCCC Amb22733566 [0,1,0,0,1,0|0,0,0]=2 794 B12R1.567 CC1CCC(=O)C1C\C=C/CC Amb24551471 [0,1,0,0,1,0|0,0,2]=4 795 B12R1.567 CC1CCC(=O)C1C\C=C\CC Amb25373077 [0,1,0,0,1,0|0,0,2]=4 796 B12R1.567 CCCCCC1C(=O)CCC1=O Amb17594210 [0,1,0,0,1,0|0,0,1]=3 797 B12R1.567 C[C@@H]1CCC(=O)[C@H]1C\C=C/CC Amb25298375 [0,1,0,0,1,0|0,0,2]=4 798 B14R1.228 CCCCCCC1CCN=C(O1)C=C Amb10559728 [0,2,0,0,0,0|2,0,0]=4 799 B14R1.149 CC(C)=CCC(O)C1CCCC(=O)O1 Amb25129686 [0,2,0,0,0,0|0,0,2]=4 800 B12R1.51 BrCCC(=O)NCC1CCCC1 Amb17322987 [0,0,1,1,0,0|2,0,0]=4 801 B12R1.51 CCCC(=O)OCC1CCCO1 Amb15692559 [0,0,1,1,0,0|1,0,0]=3 802 B12R1.51 CCNC(=O)NCC1CCCC1 Amb24569785 [0,0,1,1,0,0|2,0,0]=4 803 B12R1.51 COCC(=O)OCC1CCNC1 Amb21956208 [0,0,1,1,0,0|2,0,0]=4 804 B12R1.69 CCCCN1CCC(=O)CC1C Amb18793492 [0,0,1,1,0,0|2,0,0]=4 805 B12R1.73 COC1CCCCCCCC1=O Amb24706984 [0,0,1,1,0,0|2,0,0]=4 806 B12R1.141 CC1CC(=O)CCCCCCC1 Amb25373271 [0,0,1,1,0,0|1,0,0]=3 807 B12R1.154 CN1CCCCCC(=O)CCC1 Amb25354428 [0,0,1,1,0,0|2,0,0]=4 808 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [0,0,1,1,0,0|1,0,1]=4 809 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [0,0,1,1,0,0|0,0,0]=2 810 B12R1.215 O=C1CCCCCCNCCN1 Amb25784699 [0,0,1,1,0,0|2,0,0]=4 811 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,1,1,0,0|2,0,0]=4 812 B12R1.215 OC1CCCCCCCCCO1 Amb24352243 [0,0,1,1,0,0|0,0,2]=4 813 B12R1.215 S=C1CCCCCCCCCN1 Amb24399743 [0,0,1,1,0,0|1,1,0]=4 814 B12R1.308 BrCCC(=O)N1CCCCC1C Amb17331766 [0,0,1,1,0,0|2,0,0]=4 815 B12R1.308 CC1CCCCC1C(=O)OCC Amb24488582 [0,0,1,1,0,0|2,0,0]=4 816 B12R1.308 CC1CCCCN1C(=O)CCN Amb21958312 [0,0,1,1,0,0|2,0,0]=4 817 B12R1.308 CC1CCCCN1C(=O)CCS Amb25106531 [0,0,1,1,0,0|2,0,0]=4 818 B12R1.308 CC1CNCCC1C(=O)CCC Amb25723939 [0,0,1,1,0,0|2,0,0]=4 819 B12R1.308 CC1NCCCC1C(=O)CCC Amb24588710 [0,0,1,1,0,0|2,0,0]=4 820 B12R1.308 CC=1CCCCC1C(=O)CCC Amb25086601 [0,0,1,1,0,0|1,0,1]=4 821 B12R1.308 CCCC(=O)C1CCCCC1N Amb24376559 [0,0,1,1,0,0|2,0,0]=4 822 B12R1.308 CCCC(=O)N1CCCCC1C Amb17855600 [0,0,1,1,0,0|1,0,0]=3 823 B12R1.308 CCCC(=O)N1CCNCC1C Amb18963025 [0,0,1,1,0,0|2,0,0]=4 824 B12R1.308 CCCC(=O)N1CCOCC1C Amb24388054 [0,0,1,1,0,0|2,0,0]=4 825 B12R1.308 CCCC(=O)N1CCOC[C@H]1C Amb24655350 [0,0,1,1,0,0|2,0,0]=4 826 B12R1.308 CCCC(=O)[C@H]1CCCC[C@@H]1Cl Amb24519214 [0,0,1,1,0,0|2,0,0]=4 827 B12R1.308 CCOC(=O)N1CCCCC1C Amb24612717 [0,0,1,1,0,0|2,0,0]=4 828 B12R1.308 CNCC(=O)N1CCCCC1C Amb21958352 [0,0,1,1,0,0|2,0,0]=4 829 B12R1.308 C[C@H]1CCCC[C@@H]1C(=O)COC Amb24564893 [0,0,1,1,0,0|2,0,0]=4 830 B12R1.308 C[C@H]1CCCC[C@H]1C(=O)COC Amb24737425 [0,0,1,1,0,0|2,0,0]=4 831 B12R1.308 ClCCC(=O)N1CCCCC1C Amb1138698 [0,0,1,1,0,0|2,0,0]=4 832 B12R1.308 NCCC(=O)N1CCCCC1C Amb1142099 [0,0,1,1,0,0|2,0,0]=4 833 B12R1.316 CCC1CCCN1C(=O)NCC Amb25096171 [0,0,1,1,0,0|2,0,0]=4 834 B12R1.316 CCCC(=O)N1CCCC1CO Amb17102426 [0,0,1,1,0,0|2,0,0]=4 835 B12R1.316 CCCC(=O)N1CCC[C@H]1CBr Amb17103863 [0,0,1,1,0,0|2,0,0]=4 836 B12R1.316 CCCC(=O)N1CCC[C@H]1CCl Amb17103491 [0,0,1,1,0,0|2,0,0]=4 837 B12R1.316 CCCC(=O)N1CCC[C@H]1CN Amb17046513 [0,0,1,1,0,0|2,0,0]=4 838 B12R1.923 NCCCCCNC(=O)C1CC1 Amb18103188 [0,0,1,1,0,0|2,0,0]=4 839 B12R1.1564 BrCCC(=O)N1CCCCCC1 Amb17323502 [0,0,1,1,0,0|2,0,0]=4 840 B12R1.1564 CCCC(=O)C1CCCCCC1 Amb25126365 [0,0,1,1,0,0|1,0,0]=3 841 B12R1.1564 CCCC(=O)C1CCCCCN1 Amb24644080 [0,0,1,1,0,0|2,0,0]=4 842 B12R1.1564 CCCC(=O)C=1CCCCCC1 Amb18801145 [0,0,1,1,0,0|1,0,1]=4 843 B12R1.1564 CCCC(=O)N1CCCSCC1 Amb25823458 [0,0,1,1,0,0|2,0,0]=4 844 B12R1.1564 CCCS(=O)N1CCCCCC1 Amb24583453 [0,0,1,1,0,0|2,0,0]=4 845 B12R1.1564 CCNC(=O)N1CCCCCC1 Amb25090627 [0,0,1,1,0,0|2,0,0]=4 846 B12R1.1564 CCOC(=O)C1CCCCCC1 Amb18801871 [0,0,1,1,0,0|2,0,0]=4 847 B12R1.1564 CCSC(=O)N1CCCCCC1 Amb22234880 [0,0,1,1,0,0|2,0,0]=4 848 B12R1.1564 CNCC(=O)N1CCCCCC1 Amb21958353 [0,0,1,1,0,0|2,0,0]=4 849 B12R1.1564 ClCCC(=O)N1CCCCCC1 Amb1129316 [0,0,1,1,0,0|2,0,0]=4 850 B12R1.1564 NCCC(=O)C1CCCCCC1 Amb25041558 [0,0,1,1,0,0|2,0,0]=4 851 B12R1.1564 NCCC(=O)N1CCCCCC1 Amb1137122 [0,0,1,1,0,0|2,0,0]=4 852 B12R1.1564 NCCC(=O)N1CCCCCC1 Amb21958370 [0,0,1,1,0,0|2,0,0]=4 853 B12R1.1564 O=C(CCS)N1CCCCCC1 Amb24497578 [0,0,1,1,0,0|2,0,0]=4 854 B12R1.1564 OCCC(=O)N1CCCCCC1 Amb17334849 [0,0,1,1,0,0|2,0,0]=4 855 B12R1.4 CC(=O)NC1CCC(CC1)OC Amb21862511 [0,0,1,1,0,0|2,0,0]=4 856 B12R1.4 CC(=O)NC1CCC(CO)CC1 Amb25776238 [0,0,1,1,0,0|2,0,0]=4 857 B12R1.4 CC(=O)OC1COC(CO)CC1 Amb25344914 [0,0,1,1,0,0|2,0,0]=4 858 B12R1.4 CCC1CCC(CC1)NC(C)=O Amb24448485 [0,0,1,1,0,0|1,0,0]=3 859 B12R1.4 CCC1CCC(CC1)NC(N)=O Amb18793711 [0,0,1,1,0,0|2,0,0]=4 860 B12R1.4 CCC1CCN(CC(C)=O)CC1 Amb18789065 [0,0,1,1,0,0|2,0,0]=4 861 B12R1.4 CCN1CCC(CC(C)=O)CC1 Amb24578961 [0,0,1,1,0,0|2,0,0]=4 862 B12R1.4 CCN1CCC(CC1)NC(C)=O Amb25730445 [0,0,1,1,0,0|2,0,0]=4 863 B12R1.4 CN[C@@H]1CC[C@H](CC1)NC(C)=O Amb22802309 [0,0,1,1,0,0|2,0,0]=4 864 B12R1.4 COC1CCC(CC1)OC(C)=O Amb24387566 [0,0,1,1,0,0|1,0,0]=3 865 B12R1.182 CC(=O)O[C@H]1CN(CCF)CC1 Amb24068454 [0,0,1,1,0,0|2,0,0]=4 866 B12R1.182 CCSC1CC(CC1)NC(C)=O Amb25136177 [0,0,1,1,0,0|2,0,0]=4 867 B12R1.210 CC(=O)CC1CCCCCC1O Amb25134615 [0,0,1,1,0,0|2,0,0]=4 868 B12R1.210 CC(=O)NC1CCCCCC1Cl Amb25798846 [0,0,1,1,0,0|2,0,0]=4 869 B12R1.210 CC(=O)NC1CCCCCC1O Amb25715202 [0,0,1,1,0,0|2,0,0]=4 870 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O Amb24512924 [0,0,1,1,0,0|2,0,0]=4 871 B12R1.210 CC(=O)N[C@H]1CCCCC[C@H]1O Amb25239351 [0,0,1,1,0,0|2,0,0]=4 872 B12R1.210 CC(=O)O[C@@H]1CCCCC[C@H]1O Amb24575280 [0,0,1,1,0,0|1,0,0]=3 873 B12R1.210 CC(=O)O[C@H]1CCCCC[C@H]1O Amb25225943 [0,0,1,1,0,0|1,0,0]=3 874 B12R1.210 CC1CCCCCC1NC(C)=N Amb24483654 [0,0,1,1,0,0|2,0,0]=4 875 B12R1.210 CC1CCCCCC1NC(N)=O Amb24483653 [0,0,1,1,0,0|2,0,0]=4 876 B12R1.210 CC1CCCCCN1CC(C)=O Amb25836787 [0,0,1,1,0,0|2,0,0]=4 877 B12R1.224 CC(=O)OC1CCCC(O)C1N Amb24595842 [0,0,1,1,0,0|2,0,0]=4 878 B12R1.224 CC(=O)OC1CCCC(O)C1O Amb25220614 [0,0,1,1,0,0|2,0,0]=4 879 B12R1.224 CC(=O)OC1CCC[C@@H](O)[C@H]1O Amb24544324 [0,0,1,1,0,0|2,0,0]=4 880 B12R1.224 CC(=O)O[C@H]1CCC[C@@H](O)[C@H]1O Amb25345044 [0,0,1,1,0,0|2,0,0]=4 881 B12R1.224 CC1C(CCCC1C)NC(=O)N Amb1105316 [0,0,1,1,0,0|2,0,0]=4 882 B12R1.224 CC1CCCC(CC(O)=O)C1C Amb25087666 [0,0,1,1,0,0|2,0,0]=4 883 B12R1.224 CC1CCCC(NC(C)=N)C1C Amb25034730 [0,0,1,1,0,0|2,0,0]=4 884 B12R1.224 CC1CCCN(CC(C)=O)C1C Amb18793504 [0,0,1,1,0,0|2,0,0]=4 885 B12R1.224 C[C@@H]1CCC[C@@H](OC(C)=O)[C@H]1O Amb25236465 [0,0,1,1,0,0|1,0,0]=3 886 B12R1.405 CC(=O)N1CCCCCC1CCl Amb25679977 [0,0,1,1,0,0|2,0,0]=4 887 B12R1.405 CC(=O)N1CCCCCC1CN Amb24671055 [0,0,1,1,0,0|2,0,0]=4 888 B12R1.405 CC(=O)N1CCCCCC1CO Amb24715625 [0,0,1,1,0,0|2,0,0]=4 889 B12R1.405 CCC1CCCCCC1C(O)=O Amb25336577 [0,0,1,1,0,0|2,0,0]=4 890 B12R1.405 CCC1CCCCCN1C(=O)Cl Amb24454511 [0,0,1,1,0,0|2,0,0]=4 891 B12R1.405 CCC1CCCCCN1C(C)=N Amb25100190 [0,0,1,1,0,0|2,0,0]=4 892 B12R1.405 CCC1CCCCCN1C(C)=O Amb25035126 [0,0,1,1,0,0|1,0,0]=3 893 B12R1.405 CC[C@@H]1CCCCC[C@@H]1C(C)=O Amb25373139 [0,0,1,1,0,0|1,0,0]=3 894 B12R1.405 COC1CCCCCN1C(C)=O Amb24429885 [0,0,1,1,0,0|2,0,0]=4 895 B12R1.407 COC1CC(=O)CCCCCC1 Amb25718358 [0,0,1,1,0,0|2,0,0]=4 896 B12R1.476 CC(=O)NC(CCl)C1CCCC1 Amb25264000 [0,0,1,1,0,0|2,0,0]=4 897 B12R1.476 CC(=O)NC(CO)C1CCCC1 Amb25725293 [0,0,1,1,0,0|2,0,0]=4 898 B12R1.476 CCC(CC(O)=O)C1CCCC1 Amb18825583 [0,0,1,1,0,0|2,0,0]=4 899 B12R1.476 CCC(NC(C)=O)C1CCCC1 Amb25180031 [0,0,1,1,0,0|1,0,0]=3 900 B12R1.476 CCC(NC(C)=O)C1CCCO1 Amb25037467 [0,0,1,1,0,0|2,0,0]=4 901 B12R1.476 CCC(NC(N)=O)C1CCCC1 Amb24603275 [0,0,1,1,0,0|2,0,0]=4 902 B12R1.815 CC1C(CCC1NC(C)=N)CC Amb25770426 [0,0,1,1,0,0|2,0,0]=4 903 B12R1.815 CC1C(CCC1NC(N)=O)CC Amb25678821 [0,0,1,1,0,0|2,0,0]=4 904 B12R1.815 COC1CCC(OC(C)=O)C1Cl Amb24441491 [0,0,1,1,0,0|2,0,0]=4 905 B12R1.815 CO[C@H]1CC[C@@H](OC(C)=O)[C@@H]1Cl Amb24610189 [0,0,1,1,0,0|2,0,0]=4 906 B12R1.1020 CC(=O)OC1CCC(N)CCC1 Amb25117935 [0,0,1,1,0,0|1,0,0]=3 907 B12R1.1020 CC(=O)O[C@H]1CC[C@@H](N)CCC1 Amb24512337 [0,0,1,1,0,0|1,0,0]=3 908 B12R1.1020 CC1CCC(CCC1)NC(C)=O Amb24360321 [0,0,1,1,0,0|1,0,0]=3 909 B12R1.1020 CC1CCCC(CC(N)=O)CC1 Amb25152329 [0,0,1,1,0,0|2,0,0]=4 910 B12R1.1020 CC1CCCC(CC(O)=O)CC1 Amb25150903 [0,0,1,1,0,0|2,0,0]=4 911 B12R1.1392 CC(=C)CC1CCCCCCC1 Amb24488603 [0,0,1,1,0,0|2,0,0]=4 912 B12R1.1392 CC(=O)NC1CCCNCCC1 Amb24532713 [0,0,1,1,0,0|2,0,0]=4 913 B12R1.1392 NC(=O)CC1CCCCCCC1 Amb25798922 [0,0,1,1,0,0|2,0,0]=4 914 B12R1.1893 CC1CCCC(CC)NC(=O)C1 Amb25678584 [0,0,1,1,0,0|1,0,0]=3 915 B12R1.3862 CC(=O)NC1(CO)CCCCC1 Amb18185690 [0,0,1,1,0,0|2,0,0]=4 916 B12R1.3862 CC(=O)OC1(CCCCC1)C#C Amb17670641 [0,0,1,1,0,0|0,0,2]=4 917 B12R1.3862 CC(=O)OC1(CCCCC1)C=O Amb18647327 [0,0,1,1,0,0|1,0,1]=4 918 B12R1.3862 CC(=O)OC1(CCCCC1)N=O Amb25281982 [0,0,1,1,0,0|2,0,0]=4 919 B12R1.3862 CCC1(CCCCC1)NC(C)=N Amb24552560 [0,0,1,1,0,0|2,0,0]=4 920 B12R1.3862 CCC1(CCCCC1)NC(C)=O Amb24497036 [0,0,1,1,0,0|1,0,0]=3 921 B12R1.3862 CCC1(CCSCC1)NC(C)=O Amb25674223 [0,0,1,1,0,0|2,0,0]=4 922 B12R1.3862 CNC1(CC(C)=O)CCCCC1 Amb25315002 [0,0,1,1,0,0|2,0,0]=4 923 B12R1.281 CCC1CCCCCN1CC=O Amb25693680 [0,0,1,1,0,0|2,0,0]=4 924 B12R1.1155 CCCN1CC(CCN)OC1=O Amb18825350 [0,0,1,1,0,0|2,0,0]=4 925 B12R1.1445 CCCC1CCCC(N)C(=O)N1 Amb24558249 [0,0,1,1,0,0|2,0,0]=4 926 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,1,1,0,0|1,0,1]=4 927 B12R1.18 C=CCCC1CCCCCC1Br Amb24452398 [0,0,1,1,0,0|2,0,0]=4 928 B12R1.18 C=CCNC1CCCCCC1O Amb18970408 [0,0,1,1,0,0|2,0,0]=4 929 B12R1.18 C=CCN[C@@H]1CCCCC[C@H]1O Amb25337651 [0,0,1,1,0,0|2,0,0]=4 930 B12R1.18 C=CCSC1CCCCCC1O Amb24641065 [0,0,1,1,0,0|2,0,0]=4 931 B12R1.18 CCCCC1C=CCCCC1O Amb25831773 [0,0,1,1,0,0|1,0,0]=3 932 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,1,1,0,0|1,0,1]=4 933 B12R1.18 CCCCC1OCCCCC1O Amb25739706 [0,0,1,1,0,0|0,0,2]=4 934 B12R1.18 CCCC[C@@H]1CCCCC[C@@H]1O Amb24619174 [0,0,1,1,0,0|1,0,1]=4 935 B12R1.18 CCCC[C@@H]1OCCCC[C@H]1O Amb25219271 [0,0,1,1,0,0|0,0,2]=4 936 B12R1.18 CCCC[C@H]1C=CCCC[C@@H]1O Amb24515588 [0,0,1,1,0,0|1,0,0]=3 937 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,1,1,0,0|2,0,0]=4 938 B12R1.18 CSCCC1CCCCCC1O Amb25119109 [0,0,1,1,0,0|2,0,0]=4 939 B12R1.18 C\C=C\CC1CCCCCC1O Amb24588049 [0,0,1,1,0,0|1,0,1]=4 940 B12R1.18 OC1CCCCCC1CCCF Amb25204076 [0,0,1,1,0,0|1,0,1]=4 941 B12R1.18 OC1CCCCCC1CCCO Amb25692021 [0,0,1,1,0,0|0,0,2]=4 942 B12R1.1211 CC1CCCC(O)C(=O)CCC1 Amb24408305 [0,0,1,1,0,0|2,0,0]=4 943 B12R1.1631 C=CCC[C@@H]1[C@@H](O)CCC[C@H]1O Amb25788914 [0,0,1,1,0,0|2,0,0]=4 944 B12R1.1631 CC1CCCC(C)N1CCC=O Amb18789077 [0,0,1,1,0,0|2,0,0]=4 945 B12R1.1631 CC=1CCCC(O)C1CCCC Amb25135395 [0,0,1,1,0,0|1,0,1]=4 946 B12R1.1631 CC=1CCC[C@@H](O)C1CCCC Amb25156727 [0,0,1,1,0,0|1,0,1]=4 947 B12R1.1631 CC=1CCC[C@H](O)C1CCCC Amb24363471 [0,0,1,1,0,0|1,0,1]=4 948 B12R1.1631 CCCCC1=C(O)CCCC1=O Amb25231310 [0,0,1,1,0,0|0,0,2]=4 949 B12R1.1631 CCCCC1C(O)CCCC1=O Amb25759652 [0,0,1,1,0,0|0,0,0]=2 950 B12R1.1631 CCCCN1C(O)COCC1=O Amb25357319 [0,0,1,1,0,0|2,0,0]=4 951 B12R1.1631 CCCC[C@H]1[C@H](O)CCCC1=O Amb24736240 [0,0,1,1,0,0|0,0,0]=2 952 B12R1.1631 C[C@@H]1CCCC(=O)[C@H]1CCCC Amb25298443 [0,0,1,1,0,0|1,0,0]=3 953 B12R1.75 C=CC1CCCCC1CC(O)=O Amb24423935 [0,0,1,1,0,0|0,0,2]=4 954 B12R1.75 C=C[C@H]1CCCC[C@@H]1CC(O)=O Amb24617762 [0,0,1,1,0,0|0,0,2]=4 955 B12R1.75 CCC1=CCCCC1CC(O)=O Amb25363222 [0,0,1,1,0,0|0,0,2]=4 956 B12R1.75 CCC1CCCCC1=CC(O)=O Amb25152411 [0,0,1,1,0,0|0,0,2]=4 957 B12R1.75 CCC1CCCCC1CC(O)=O Amb25152261 [0,0,1,1,0,0|0,0,0]=2 958 B12R1.75 CCC1CCCCC1NC(N)=O Amb18801890 [0,0,1,1,0,0|2,0,0]=4 959 B12R1.75 CCC1CCCCN1CC(=O)Cl Amb17143064 [0,0,1,1,0,0|2,0,0]=4 960 B12R1.75 CCC1CCCCN1CC(=O)N Amb17142913 [0,0,1,1,0,0|2,0,0]=4 961 B12R1.75 CCC1CNCCC1CC(=O)Cl Amb24398670 [0,0,1,1,0,0|2,0,0]=4 962 B12R1.75 CCC1NCCCC1CC(O)=O Amb24753781 [0,0,1,1,0,0|1,0,0]=3 963 B12R1.75 CCN1CCCCC1CC(O)=O Amb18979527 [0,0,1,1,0,0|1,0,0]=3 964 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(O)=O Amb18198537 [0,0,1,1,0,0|1,0,0]=3 965 B12R1.75 COC1CCCCC1CC(C)=O Amb25112608 [0,0,1,1,0,0|2,0,0]=4 966 B12R1.75 COC1CCCCC1CC(O)=O Amb18647650 [0,0,1,1,0,0|1,0,0]=3 967 B12R1.75 COC1CCCOC1CC(O)=O Amb25101656 [0,0,1,1,0,0|2,0,0]=4 968 B12R1.75 COC1CCOCC1CC(O)=O Amb18197607 [0,0,1,1,0,0|2,0,0]=4 969 B12R1.75 COC1CCSCC1CC(O)=O Amb18190928 [0,0,1,1,0,0|2,0,0]=4 970 B12R1.75 COC1COCCC1CC(O)=O Amb18197629 [0,0,1,1,0,0|2,0,0]=4 971 B12R1.75 COC1CSCCC1CC(O)=O Amb18189240 [0,0,1,1,0,0|2,0,0]=4 972 B12R1.75 COC1OCCCC1CC(O)=O Amb18197635 [0,0,1,1,0,0|2,0,0]=4 973 B12R1.75 CO[C@H]1CCCC[C@@H]1CC(O)=O Amb24710034 [0,0,1,1,0,0|1,0,0]=3 974 B12R1.75 C\C=C/1\CCCCC1CC(O)=O Amb24741726 [0,0,1,1,0,0|0,0,2]=4 975 B12R1.75 N#CC1CCCCC1CC(O)=O Amb18827227 [0,0,1,1,0,0|1,0,1]=4 976 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [0,0,1,1,0,0|1,0,0]=3 977 B12R1.75 NCC1CCCCN1CC(O)=O Amb18982971 [0,0,1,1,0,0|2,0,0]=4 978 B12R1.75 OC(=O)CN1CCCCC1CBr Amb21860454 [0,0,1,1,0,0|2,0,0]=4 979 B12R1.75 OC(=O)CN1CCCCC1CCl Amb21860333 [0,0,1,1,0,0|2,0,0]=4 980 B12R1.75 OC(=O)CN1CCCCC1CI Amb21860478 [0,0,1,1,0,0|2,0,0]=4 981 B12R1.75 OC(=O)C[C@H]1CCCC[C@@H]1C=O Amb24595748 [0,0,1,1,0,0|1,0,1]=4 982 B12R1.75 OCC1CCCCN1CC(O)=O Amb18294605 [0,0,1,1,0,0|2,0,0]=4 983 B12R1.75 OC[C@H]1CCCCN1CC(O)=O Amb24397069 [0,0,1,1,0,0|2,0,0]=4 984 B12R1.81 COC1CCCC1NCC(O)=O Amb18807777 [0,0,1,1,0,0|2,0,0]=4 985 B12R1.125 C=C1CCCCC1CCC(O)=O Amb25700911 [0,0,1,1,0,0|0,0,2]=4 986 B12R1.125 CC(=O)CCC1CCCCC1O Amb25027519 [0,0,1,1,0,0|2,0,0]=4 987 B12R1.125 CC(=O)CCC1CCCCN1C Amb25034626 [0,0,1,1,0,0|2,0,0]=4 988 B12R1.125 CC1CCCCC1=NCC(O)=O Amb24580502 [0,0,1,1,0,0|1,0,1]=4 989 B12R1.125 CC1CCCCC1CCC(C)=O Amb25730309 [0,0,1,1,0,0|1,0,0]=3 990 B12R1.125 CC1CCCCC1CCC(O)=O Amb18647427 [0,0,1,1,0,0|0,0,0]=2 991 B12R1.125 CC1CCCCC1CNC(C)=O Amb25294550 [0,0,1,1,0,0|2,0,0]=4 992 B12R1.125 CC1CCCCC1CNC(N)=O Amb18793749 [0,0,1,1,0,0|2,0,0]=4 993 B12R1.125 CC1CCCCC1OCC(N)=O Amb18802286 [0,0,1,1,0,0|2,0,0]=4 994 B12R1.125 CC1CCCCC1\C=C\C(O)=O Amb24546661 [0,0,1,1,0,0|0,0,2]=4 995 B12R1.125 CC1CCCCN1CCC(O)=O Amb21953915 [0,0,1,1,0,0|1,0,0]=3 996 B12R1.125 CC1CNCCN1CCC(O)=O Amb18300045 [0,0,1,1,0,0|2,0,0]=4 997 B12R1.125 CC1COCCC1NCC(O)=O Amb25693455 [0,0,1,1,0,0|2,0,0]=4 998 B12R1.125 CC1NCCCC1NCC(O)=O Amb25302143 [0,0,1,1,0,0|2,0,0]=4 999 B12R1.125 CC1SCCCC1OCC(O)=O Amb25117392 [0,0,1,1,0,0|2,0,0]=4 1000 B12R1.125 C[C@H]1CCCC[C@@H]1CCC(C)=O Amb24689550 [0,0,1,1,0,0|1,0,0]=3 1001 B12R1.125 ClC(=O)CCN1CCCCC1C Amb17143073 [0,0,1,1,0,0|2,0,0]=4 1002 B12R1.125 NC(=O)CCN1CCCCC1C Amb17142919 [0,0,1,1,0,0|2,0,0]=4 1003 B12R1.125 NC(=O)CNC1CCCCC1C Amb1112866 [0,0,1,1,0,0|2,0,0]=4 1004 B12R1.125 NC1CCCCC1NCC(O)=O Amb25714554 [0,0,1,1,0,0|2,0,0]=4 1005 B12R1.125 NC1CCCCC1OCC(O)=O Amb24488516 [0,0,1,1,0,0|2,0,0]=4 1006 B12R1.125 N[C@@H]1CCCC[C@H]1NCC(O)=O Amb24512945 [0,0,1,1,0,0|2,0,0]=4 1007 B12R1.125 N[C@@H]1CCCC[C@H]1OCC(O)=O Amb24069129 [0,0,1,1,0,0|2,0,0]=4 1008 B12R1.125 N[C@H]1CCCC[C@@H]1CCC(O)=O Amb25302248 [0,0,1,1,0,0|1,0,0]=3 1009 B12R1.125 N[C@H]1CCCC[C@@H]1OCC(O)=O Amb24069130 [0,0,1,1,0,0|2,0,0]=4 1010 B12R1.125 N[C@H]1CCCC[C@H]1CCC(O)=O Amb25295431 [0,0,1,1,0,0|1,0,0]=3 1011 B12R1.125 OC(=O)CCC1CCCCN1C Amb10607785 [0,0,1,1,0,0|1,0,0]=3 1012 B12R1.125 OC(=O)CCC1CCCCN1C Amb13949149 [0,0,1,1,0,0|1,0,0]=3 1013 B12R1.125 OC(=O)COC1CCCCC1F Amb24496996 [0,0,1,1,0,0|2,0,0]=4 1014 B12R1.125 OC(=O)CSC1CCCCC1C Amb17594900 [0,0,1,1,0,0|1,0,0]=3 1015 B12R1.125 OC(=O)CSC1CCCCC1O Amb10808762 [0,0,1,1,0,0|2,0,0]=4 1016 B12R1.125 OC1CCCCC1NCC(O)=O Amb18990895 [0,0,1,1,0,0|2,0,0]=4 1017 B12R1.125 OC1CCCCC1OCC(O)=O Amb24465502 [0,0,1,1,0,0|2,0,0]=4 1018 B12R1.125 OC1CCCCN1CCC(O)=O Amb25848698 [0,0,1,1,0,0|2,0,0]=4 1019 B12R1.125 OC1CCCNC1CCC(O)=O Amb25258833 [0,0,1,1,0,0|2,0,0]=4 1020 B12R1.125 O[C@H]1CCCC[C@@H]1CCC(O)=O Amb25179269 [0,0,1,1,0,0|1,0,0]=3 1021 B12R1.125 O[C@H]1CCCC[C@@H]1SCC(O)=O Amb25286930 [0,0,1,1,0,0|2,0,0]=4 1022 B12R1.212 C=C1CCCCCCC1C(O)=O Amb24634098 [0,0,1,1,0,0|0,0,2]=4 1023 B12R1.212 CC(=O)C1CCCCCCC1N Amb24737955 [0,0,1,1,0,0|2,0,0]=4 1024 B12R1.212 CN1CCCCCCC1C(O)=O Amb25816705 [0,0,1,1,0,0|1,0,0]=3 1025 B12R1.212 NC(=O)[C@@H]1CCCCCC[C@H]1O Amb24512072 [0,0,1,1,0,0|2,0,0]=4 1026 B12R1.212 NC1CCCCCCC1C(O)=O Amb20667806 [0,0,1,1,0,0|1,0,0]=3 1027 B12R1.212 NC1CCCCCCC1C(O)=O Amb22059713 [0,0,1,1,0,0|1,0,0]=3 1028 B12R1.212 N[C@H]1CCCCCC[C@@H]1C(O)=O Amb25245343 [0,0,1,1,0,0|1,0,0]=3 1029 B12R1.212 OC(=O)[C@@H]1CCCCCC[C@@H]1N Amb1993854 [0,0,1,1,0,0|1,0,0]=3 1030 B12R1.212 OC(=O)[C@H]1CCCCCC[C@H]1N Amb1993853 [0,0,1,1,0,0|1,0,0]=3 1031 B12R1.212 O[C@@H]1CCCCCC[C@@H]1C(O)=O Amb24692827 [0,0,1,1,0,0|1,0,0]=3 1032 B12R1.212 O[C@H]1CCCCCC[C@H]1C(O)=O Amb24739651 [0,0,1,1,0,0|1,0,0]=3 1033 B12R1.255 OC(=O)C#CCCC1CCCC1 Amb25089799 [0,0,1,1,0,0|0,0,2]=4 1034 B12R1.255 OC(=O)CCCCC1SSCC1 Amb1152511 [0,0,1,1,0,0|2,0,0]=4 1035 B12R1.255 OC(=O)CCCCN1CCCC1 Amb10610408 [0,0,1,1,0,0|1,0,0]=3 1036 B12R1.255 OC(=O)CCCC[C@@H]1SSCC1 Amb17616537 [0,0,1,1,0,0|2,0,0]=4 1037 B12R1.255 OC(=O)CCCNC1CCCC1 Amb1110062 [0,0,1,1,0,0|1,0,0]=3 1038 B12R1.255 OC(=O)CSCCN1CCCC1 Amb13949167 [0,0,1,1,0,0|2,0,0]=4 1039 B12R1.255 O[13C](=O)[13CH2]CC[13CH2][13CH]1CCSS1 Amb22353982 [0,0,1,1,0,0|2,0,0]=4 1040 B12R1.283 C#CCC1CCCCC1C(O)=O Amb24685505 [0,0,1,1,0,0|0,0,2]=4 1041 B12R1.283 C=CCC1CCCCC1C(O)=O Amb18646999 [0,0,1,1,0,0|0,0,2]=4 1042 B12R1.283 C=CC[C@@H]1CCCC[C@H]1C(O)=O Amb25227522 [0,0,1,1,0,0|0,0,2]=4 1043 B12R1.283 CCCC1CC=CCC1C(O)=O Amb24415893 [0,0,1,1,0,0|0,0,2]=4 1044 B12R1.283 CCCC1CCCCN1C(C)=O Amb25758684 [0,0,1,1,0,0|2,0,0]=4 1045 B12R1.283 CCCC1NCCCC1C(N)=O Amb25790873 [0,0,1,1,0,0|2,0,0]=4 1046 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [0,0,1,1,0,0|1,0,0]=3 1047 B12R1.283 CCCC1OCCCC1C(N)=O Amb24350049 [0,0,1,1,0,0|2,0,0]=4 1048 B12R1.283 CCCN1CCCCC1C(=O)O Amb10609773 [0,0,1,1,0,0|1,0,0]=3 1049 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [0,0,1,1,0,0|1,0,0]=3 1050 B12R1.283 CCCN1CCNCC1C(O)=O Amb18825347 [0,0,1,1,0,0|2,0,0]=4 1051 B12R1.283 CCC[C@H]1CCCCN1C(C)=O Amb25707921 [0,0,1,1,0,0|2,0,0]=4 1052 B12R1.283 CCNC1CCCCC1C(O)=O Amb24426291 [0,0,1,1,0,0|1,0,0]=3 1053 B12R1.283 CCN[C@@H]1CCCC[C@@H]1C(O)=O Amb24512176 [0,0,1,1,0,0|1,0,0]=3 1054 B12R1.283 CCSC1CCCCC1C(O)=O Amb18303075 [0,0,1,1,0,0|1,0,0]=3 1055 B12R1.283 CNCC1CCCCC1C(O)=O Amb24436013 [0,0,1,1,0,0|1,0,0]=3 1056 B12R1.283 NCCN1CCCCC1C(O)=O Amb24740282 [0,0,1,1,0,0|2,0,0]=4 1057 B12R1.283 OC(=O)C1CCCCC1CCF Amb25202422 [0,0,1,1,0,0|1,0,0]=3 1058 B12R1.283 OC(=O)C1CCCCN1CCF Amb24626977 [0,0,1,1,0,0|2,0,0]=4 1059 B12R1.283 OC(=O)N1CCCCC1CCCl Amb24089605 [0,0,1,1,0,0|2,0,0]=4 1060 B12R1.289 COCC1CCCN1CC(O)=O Amb21860507 [0,0,1,1,0,0|2,0,0]=4 1061 B12R1.321 CCCCC1CC(=O)NCCC1 Amb25785211 [0,0,1,1,0,0|2,0,0]=4 1062 B12R1.321 CCCCC1CCCCC(=N)N1 Amb24636858 [0,0,1,1,0,0|2,0,0]=4 1063 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [0,0,1,1,0,0|0,0,0]=2 1064 B12R1.321 CCCCC1CCCCC(O)C1 Amb24435562 [0,0,1,1,0,0|1,0,1]=4 1065 B12R1.321 CCCCC=1CCCCC(=O)C1 Amb24723928 [0,0,1,1,0,0|1,0,1]=4 1066 B12R1.321 CCCC[C@@H]1CC(=O)CCCC1 Amb24584524 [0,0,1,1,0,0|1,0,0]=3 1067 B12R1.321 CSCCC1CC(=O)CCCC1 Amb25760530 [0,0,1,1,0,0|2,0,0]=4 1068 B12R1.321 NCCCC1CCCCC(=O)N1 Amb18825523 [0,0,1,1,0,0|2,0,0]=4 1069 B12R1.321 OCCCC1CCCCC(=O)N1 Amb18825414 [0,0,1,1,0,0|2,0,0]=4 1070 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [0,0,1,1,0,0|2,0,0]=4 1071 B12R1.1335 CC(O)C1CCCCCCCC1 Amb25092009 [0,0,1,1,0,0|1,0,1]=4 1072 B12R1.1335 NC(=O)C1CCCCCCCC1 Amb25685314 [0,0,1,1,0,0|1,0,0]=3 1073 B12R1.1335 NC(=O)N1CCCCCCCC1 Amb25087978 [0,0,1,1,0,0|2,0,0]=4 1074 B12R1.1335 OC(=O)C1CCCCCCCC1 Amb25034740 [0,0,1,1,0,0|0,0,0]=2 1075 B12R1.1335 OC(=O)C1CCCCCCNN1 Amb24574710 [0,0,1,1,0,0|2,0,0]=4 1076 B12R1.1343 CC(=O)CCN1CCCCCC1 Amb1136685 [0,0,1,1,0,0|2,0,0]=4 1077 B12R1.1343 CC(=O)COC1CCCCCC1 Amb18793663 [0,0,1,1,0,0|2,0,0]=4 1078 B12R1.1343 ClC(=O)CCN1CCCCCC1 Amb17143075 [0,0,1,1,0,0|2,0,0]=4 1079 B12R1.1343 NC(=O)CCC1CCCCCC1 Amb25061418 [0,0,1,1,0,0|1,0,0]=3 1080 B12R1.1343 NC(=O)CCN1CCCCCC1 Amb17142920 [0,0,1,1,0,0|2,0,0]=4 1081 B12R1.1343 NC(=O)CCN1CCCCCC1 Amb22469065 [0,0,1,1,0,0|2,0,0]=4 1082 B12R1.1343 NC(=O)CNC1CCCCCC1 Amb1114001 [0,0,1,1,0,0|2,0,0]=4 1083 B12R1.1343 NC(=O)COC1CCCCCC1 Amb18802288 [0,0,1,1,0,0|2,0,0]=4 1084 B12R1.1343 OC(=O)C#CC1CCCCCC1 Amb24556561 [0,0,1,1,0,0|0,0,2]=4 1085 B12R1.1343 OC(=O)CCC1CCCCCC1 Amb18825578 [0,0,1,1,0,0|0,0,0]=2 1086 B12R1.1343 OC(=O)CCC1CCCCCN1 Amb18198528 [0,0,1,1,0,0|1,0,0]=3 1087 B12R1.1343 OC(=O)CCC1CCCCSS1 Amb25326088 [0,0,1,1,0,0|2,0,0]=4 1088 B12R1.1343 OC(=O)CCC1CCCNCC1 Amb18198557 [0,0,1,1,0,0|1,0,0]=3 1089 B12R1.1343 OC(=O)CCC1CCCOCC1 Amb18825358 [0,0,1,1,0,0|1,0,0]=3 1090 B12R1.1343 OC(=O)CCC1CCCSCC1 Amb18820668 [0,0,1,1,0,0|1,0,0]=3 1091 B12R1.1343 OC(=O)CCC=1CCCCCC1 Amb25209946 [0,0,1,1,0,0|0,0,2]=4 1092 B12R1.1343 OC(=O)CCN1CCCOCC1 Amb19000940 [0,0,1,1,0,0|2,0,0]=4 1093 B12R1.1343 OC(=O)CCN1CCCSCC1 Amb18977928 [0,0,1,1,0,0|2,0,0]=4 1094 B12R1.1343 OC(=O)CNN1CCCCCC1 Amb25111269 [0,0,1,1,0,0|2,0,0]=4 1095 B12R1.1343 OC(=O)COC1CCCCCC1 Amb18972071 [0,0,1,1,0,0|1,0,0]=3 1096 B12R1.1343 OC(=O)CSC1CCCCCC1 Amb24493198 [0,0,1,1,0,0|1,0,0]=3 1097 B12R1.1343 OC(=O)\C=C\C1CCCCCC1 Amb24715822 [0,0,1,1,0,0|0,0,2]=4 1098 B12R1.1755 CCCCCC[C@@H]1C[C@H]1B(O)O Amb24329634 [0,0,1,1,0,0|1,0,1]=4 1099 B12R1.15 CC(NC(=N)CC)C1CCCC1 Amb25720837 [0,0,1,1,0,0|2,0,0]=4 1100 B12R1.15 CC(NC(=O)CC)C1CCCN1 Amb24725282 [0,0,1,1,0,0|2,0,0]=4 1101 B12R1.15 CC(NC(=O)CC)C1CCCO1 Amb24360962 [0,0,1,1,0,0|2,0,0]=4 1102 B12R1.15 CC(NC(=O)CC)C1CNCC1 Amb25244252 [0,0,1,1,0,0|2,0,0]=4 1103 B12R1.15 CC(NC(=O)CCl)C1CCCC1 Amb25704533 [0,0,1,1,0,0|2,0,0]=4 1104 B12R1.15 C[C@@H](NC(=O)CC)C1CCCC1 Amb24384367 [0,0,1,1,0,0|1,0,0]=3 1105 B12R1.15 C[C@@H](NC(=O)CCl)C1CCCC1 Amb25074952 [0,0,1,1,0,0|2,0,0]=4 1106 B12R1.15 C[C@@H](NC(=O)CN)C1CCCC1 Amb25088778 [0,0,1,1,0,0|2,0,0]=4 1107 B12R1.15 C[C@H](NC(=O)CC)C1CCCC1 Amb24346863 [0,0,1,1,0,0|1,0,0]=3 1108 B12R1.15 C[C@H](NC(=O)CCl)C1CCCC1 Amb25061675 [0,0,1,1,0,0|2,0,0]=4 1109 B12R1.61 CCC(=O)NC1CC(CC1)OC Amb24650623 [0,0,1,1,0,0|2,0,0]=4 1110 B12R1.61 CCC(=O)OC1CC(CC1)C#N Amb24615320 [0,0,1,1,0,0|1,0,1]=4 1111 B12R1.365 CC1CCCCCN1C(=O)CBr Amb25149828 [0,0,1,1,0,0|2,0,0]=4 1112 B12R1.365 CCC(=N)N1CCCCCC1C Amb25669567 [0,0,1,1,0,0|2,0,0]=4 1113 B12R1.365 CCC(=O)N1CCCNCC1C Amb17578204 [0,0,1,1,0,0|2,0,0]=4 1114 B12R1.365 CCC(=O)N1CCCOCC1C Amb25080622 [0,0,1,1,0,0|2,0,0]=4 1115 B12R1.365 CCC(=O)N1CCNCCC1C Amb17578206 [0,0,1,1,0,0|2,0,0]=4 1116 B12R1.365 CCC(=O)N1CCSCCC1C Amb25105722 [0,0,1,1,0,0|2,0,0]=4 1117 B12R1.365 CCC(=O)[C@H]1CCCCC[C@@H]1Cl Amb25175881 [0,0,1,1,0,0|2,0,0]=4 1118 B12R1.365 CNC(=O)N1CCCCCC1C Amb25145268 [0,0,1,1,0,0|2,0,0]=4 1119 B12R1.365 COC(=O)N1CCCCCC1C Amb25115628 [0,0,1,1,0,0|2,0,0]=4 1120 B12R1.658 CC1CCC(CC)N1C(=O)CC Amb25155674 [0,0,1,1,0,0|1,0,0]=3 1121 B12R1.658 CC1CCC(CC)N1C(=O)OC Amb24632939 [0,0,1,1,0,0|2,0,0]=4 1122 B12R1.658 CC1CCC(OC)N1C(=O)CC Amb24485495 [0,0,1,1,0,0|2,0,0]=4 1123 B12R1.1748 BrCC(=O)NC1CCCCCC1 Amb17324791 [0,0,1,1,0,0|2,0,0]=4 1124 B12R1.1748 CCC(=O)CC1CCCCCC1 Amb24493085 [0,0,1,1,0,0|1,0,0]=3 1125 B12R1.1748 CCC(=O)CN1CCCCCC1 Amb18806286 [0,0,1,1,0,0|2,0,0]=4 1126 B12R1.1748 CCC(=O)OC1CCCCCC1 Amb25154716 [0,0,1,1,0,0|0,0,0]=2 1127 B12R1.1748 COC(=O)NC1CCCCCC1 Amb17790975 [0,0,1,1,0,0|2,0,0]=4 1128 B12R1.1748 NCC(=O)OC1CCCCCC1 Amb18974511 [0,0,1,1,0,0|1,0,0]=3 1129 B12R1.1748 O=C(CBr)CC1CCCCCC1 Amb25154153 [0,0,1,1,0,0|2,0,0]=4 1130 B12R1.3441 BrCC(=O)N1C(C)CCCC1C Amb17328299 [0,0,1,1,0,0|2,0,0]=4 1131 B12R1.3441 CC1CCCC(C)N1C(=O)CN Amb18945346 [0,0,1,1,0,0|2,0,0]=4 1132 B12R1.3441 CCC(=O)N1C(C)CCCC1C Amb17788464 [0,0,1,1,0,0|1,0,0]=3 1133 B12R1.3441 CCC(=O)N1C(C)CNCC1C Amb24483510 [0,0,1,1,0,0|2,0,0]=4 1134 B12R1.3441 CCC(=O)N1C(C)COCC1C Amb25058196 [0,0,1,1,0,0|2,0,0]=4 1135 B12R1.3441 CCC(=O)N1[C@H](C)CNC[C@@H]1C Amb24607990 [0,0,1,1,0,0|2,0,0]=4 1136 B12R1.3441 CNC(=O)N1C(C)CCCC1C Amb25077247 [0,0,1,1,0,0|2,0,0]=4 1137 B12R1.3441 COC(=O)N1C(C)CCCC1C Amb17798151 [0,0,1,1,0,0|2,0,0]=4 1138 B12R1.3441 ClCC(=O)N1C(C)CCCC1C Amb1151856 [0,0,1,1,0,0|2,0,0]=4 1139 B12R1.3441 OCC(=O)N1C(C)CCCC1C Amb1111000 [0,0,1,1,0,0|2,0,0]=4 1140 B12R1.3524 CC1(CCCCC1)NC(=O)CCl Amb19078107 [0,0,1,1,0,0|2,0,0]=4 1141 B12R1.3524 CC1(CCCCC1)NC(=O)CI Amb24439591 [0,0,1,1,0,0|2,0,0]=4 1142 B12R1.3524 CC1(CCCCC1)NC(=O)CN Amb18957387 [0,0,1,1,0,0|2,0,0]=4 1143 B12R1.3524 CC1(CCCCC1)OC(=O)C=C Amb25148559 [0,0,1,1,0,0|0,0,2]=4 1144 B12R1.3524 CCC(=O)NC1(C)CCCCC1 Amb25128333 [0,0,1,1,0,0|1,0,0]=3 1145 B12R1.3524 CCC(=O)NC1(C)CCOCC1 Amb25085652 [0,0,1,1,0,0|2,0,0]=4 1146 B12R1.3524 CCC(=O)NC1(C)COCCC1 Amb24355627 [0,0,1,1,0,0|2,0,0]=4 1147 B12R1.3524 COC(=O)CC1(C)CCCCC1 Amb25675455 [0,0,1,1,0,0|2,0,0]=4 1148 B12R1.3524 COC(=O)NC1(C)CCCCC1 Amb24756711 [0,0,1,1,0,0|2,0,0]=4 1149 B12R2.24 N=C1CCC2CCCCC2N1 Amb25124918 [1,0,0,1,0,0|2,0,0]=4 1150 B12R2.24 N=C1CC[C@H]2CCCC[C@@H]2N1 Amb25328794 [1,0,0,1,0,0|2,0,0]=4 1151 B12R2.24 N=C1NCC2CCCCC2O1 Amb24642500 [1,0,0,1,0,0|2,0,0]=4 1152 B12R2.24 N=C1NC[C@H]2CCCC[C@@H]2O1 Amb24512848 [1,0,0,1,0,0|2,0,0]=4 1153 B12R2.24 NC=1CC[C@H]2CCCC[C@H]2N1 Amb24601815 [1,0,0,1,0,0|2,0,0]=4 1154 B12R2.24 O=C1CC2CCCCC2NC1 Amb24611501 [1,0,0,1,0,0|2,0,0]=4 1155 B12R2.24 O=C1CC2CCNCC2CC1 Amb18125589 [1,0,0,1,0,0|2,0,0]=4 1156 B12R2.24 O=C1CC2CCSCC2CC1 Amb25142736 [1,0,0,1,0,0|2,0,0]=4 1157 B12R2.24 O=C1CC2NCCCC2CC1 Amb18644586 [1,0,0,1,0,0|2,0,0]=4 1158 B12R2.24 O=C1CCC2C(=C1)CCCC2 Amb17593740 [1,0,0,1,0,0|1,0,1]=4 1159 B12R2.24 O=C1CCC2C(N1)CCNC2 Amb13888807 [1,0,0,1,0,0|2,0,0]=4 1160 B12R2.24 O=C1CCC2CCCCC2N1 Amb25151174 [1,0,0,1,0,0|1,0,0]=3 1161 B12R2.24 O=C1CCC2CCCNC2N1 Amb25275698 [1,0,0,1,0,0|2,0,0]=4 1162 B12R2.24 O=C1CCC2CCOCC2N1 Amb24593222 [1,0,0,1,0,0|2,0,0]=4 1163 B12R2.24 O=C1CCC2NCCCC2N1 Amb24590738 [1,0,0,1,0,0|2,0,0]=4 1164 B12R2.24 O=C1CCN2CCCCC2C1 Amb17778369 [1,0,0,1,0,0|2,0,0]=4 1165 B12R2.24 O=C1CCN2CCCCC2N1 Amb25268914 [1,0,0,1,0,0|2,0,0]=4 1166 B12R2.24 O=C1CC[C@@H]2CCCCC2N1 Amb24653752 [1,0,0,1,0,0|1,0,0]=3 1167 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2N1 Amb24607332 [1,0,0,1,0,0|1,0,0]=3 1168 B12R2.24 O=C1CC[C@@H]2CCCC[C@H]2C1 Amb17674190 [1,0,0,1,0,0|1,0,0]=3 1169 B12R2.24 O=C1CC[C@@H]2CCCC[C@H]2N1 Amb25333546 [1,0,0,1,0,0|1,0,0]=3 1170 B12R2.24 O=C1CC[C@@H]2CCNC[C@H]2N1 Amb18200727 [1,0,0,1,0,0|2,0,0]=4 1171 B12R2.24 O=C1CC[C@@H]2CNCC[C@H]2N1 Amb18200730 [1,0,0,1,0,0|2,0,0]=4 1172 B12R2.24 O=C1CC[C@H]2CCCC[C@H]2N1 Amb24632450 [1,0,0,1,0,0|1,0,0]=3 1173 B12R2.24 O=C1CC[C@H]2CCCC[C@H]2O1 Amb24590114 [1,0,0,1,0,0|0,0,0]=2 1174 B12R2.24 O=C1CNC2CCCCC2O1 Amb23536462 [1,0,0,1,0,0|1,0,0]=3 1175 B12R2.24 O=C1CN[C@@H]2CCCC[C@@H]2N1 Amb25175818 [1,0,0,1,0,0|2,0,0]=4 1176 B12R2.24 O=C1COC2CCCCC2N1 Amb21864794 [1,0,0,1,0,0|2,0,0]=4 1177 B12R2.24 O=C1CO[C@H]2CCCC[C@@H]2N1 Amb24594040 [1,0,0,1,0,0|2,0,0]=4 1178 B12R2.24 O=C1C[C@H]2CCCC[C@@H]2OC1 Amb24512604 [1,0,0,1,0,0|2,0,0]=4 1179 B12R2.24 O=C1C[C@H]2CCCC[C@H]2CN1 Amb25377786 [1,0,0,1,0,0|2,0,0]=4 1180 B12R2.24 O=C1C[C@H]2CCSC[C@@H]2CC1 Amb24580105 [1,0,0,1,0,0|2,0,0]=4 1181 B12R2.24 O=C1C[C@H]2NCCC[C@@H]2CC1 Amb24636848 [1,0,0,1,0,0|2,0,0]=4 1182 B12R2.24 O=C1NC2CCCCC2CN1 Amb25092960 [1,0,0,1,0,0|2,0,0]=4 1183 B12R2.24 O=C1NC2CCCCC2CO1 Amb24462834 [1,0,0,1,0,0|2,0,0]=4 1184 B12R2.24 O=C1NC[C@@H]2CCCC[C@H]2O1 Amb25350512 [1,0,0,1,0,0|1,0,0]=3 1185 B12R2.24 O=C1NC[C@@H]2CCNC[C@H]2O1 Amb25254774 [1,0,0,1,0,0|2,0,0]=4 1186 B12R2.24 O=C1N[C@H]2CCCC[C@@H]2CN1 Amb25252147 [1,0,0,1,0,0|2,0,0]=4 1187 B12R2.24 O=C1N[C@H]2CCCC[C@H]2CN1 Amb24620691 [1,0,0,1,0,0|2,0,0]=4 1188 B12R2.24 O=C1N[C@H]2CCCC[C@H]2CO1 Amb24698607 [1,0,0,1,0,0|2,0,0]=4 1189 B12R2.24 O[C@@H]1CC[C@H]2CCCC[C@@H]2O1 Amb24592355 [1,0,0,1,0,0|0,0,2]=4 1190 B12R2.24 O[C@H]1CC[C@@H]2CCCC[C@@H]2O1 Amb25175230 [1,0,0,1,0,0|0,0,2]=4 1191 B12R2.24 O[C@H]1CC[C@H]2CCCC[C@@H]2O1 Amb25177028 [1,0,0,1,0,0|0,0,2]=4 1192 B12R2.24 S=C1CCC2CCCCC2N1 Amb25092854 [1,0,0,1,0,0|1,1,0]=4 1193 B12R2.24 S=C1NC[C@@H]2CCCC[C@@H]2O1 Amb25234413 [1,0,0,1,0,0|1,1,0]=4 1194 B12R2.24 S=C1NC[C@H]2CCCC[C@@H]2O1 Amb24576993 [1,0,0,1,0,0|1,1,0]=4 1195 B12R2.162 OCC[C@@H]1[C@H]2CC[C@@H]1CC2=O Amb25366393 [1,0,0,1,0,0|2,0,0]=4 1196 B12R2.203 CC1CCC2CCNC(=O)N21 Amb24387738 [1,0,0,1,0,0|2,0,0]=4 1197 B12R2.203 CN1CC[C@H]2CCCC(=O)[C@@H]12 Amb24068409 [1,0,0,1,0,0|2,0,0]=4 1198 B12R2.203 C[C@@H]1CC[C@H]2CCCC(=O)[C@H]21 Amb24540842 [1,0,0,1,0,0|1,0,0]=3 1199 B12R2.203 C[C@H]1CC[C@H]2CCCC(=O)[C@@H]21 Amb24512421 [1,0,0,1,0,0|1,0,0]=3 1200 B12R2.203 OC1CCC2CCCC(=O)C21 Amb25358926 [1,0,0,1,0,0|2,0,0]=4 1201 B12R2.212 CN1CC[C@@H]2C[C@H]1CC(=O)C2 Amb25270951 [1,0,0,1,0,0|2,0,0]=4 1202 B12R2.212 OC1CCC2CC1CC(=O)C2 Amb25370796 [1,0,0,1,0,0|2,0,0]=4 1203 B12R2.276 CCCCC1CC(=O)C2OC21 Amb25723174 [1,0,0,1,0,0|2,0,0]=4 1204 B12R2.276 CCCC[C@H]1CC(=O)[C@@H]2O[C@@H]21 Amb25322885 [1,0,0,1,0,0|2,0,0]=4 1205 B12R2.330 CC[C@@H]1C[C@H]2CC(=O)[C@@H]1NC2 Amb25179340 [1,0,0,1,0,0|2,0,0]=4 1206 B12R2.330 COC1CC2CC(=O)C1CC2 Amb25735130 [1,0,0,1,0,0|2,0,0]=4 1207 B12R2.330 CSC1CC2CC(=O)C1CC2 Amb25768530 [1,0,0,1,0,0|2,0,0]=4 1208 B12R2.330 CS[C@H]1C[C@@H]2CC(=O)[C@H]1CC2 Amb25205861 [1,0,0,1,0,0|2,0,0]=4 1209 B12R2.330 OCC1CC2CC(=O)C1CC2 Amb25718401 [1,0,0,1,0,0|2,0,0]=4 1210 B12R2.330 OC[C@@H]1C[C@@H]2CC(=O)[C@H]1CC2 Amb25262700 [1,0,0,1,0,0|2,0,0]=4 1211 B12R2.458 CC1CCC12CC(=O)CCO2 Amb24668820 [1,0,0,1,0,0|2,0,0]=4 1212 B12R2.458 CC1CCC12COCC(=O)N2 Amb24557508 [1,0,0,1,0,0|2,0,0]=4 1213 B12R2.612 CC1CCC2=CC(=O)CCC21 Amb24691715 [1,0,0,1,0,0|1,0,1]=4 1214 B12R2.612 CC1CCC2CC(=O)CCC21 Amb25318915 [1,0,0,1,0,0|1,0,0]=3 1215 B12R2.612 CC1CCC2CC(=O)CCN21 Amb25188612 [1,0,0,1,0,0|2,0,0]=4 1216 B12R2.612 CC1COC2CC(=O)CCC21 Amb25188615 [1,0,0,1,0,0|2,0,0]=4 1217 B12R2.612 C[C@H]1CC[C@@H]2CC(=O)CC[C@@H]21 Amb25252138 [1,0,0,1,0,0|1,0,0]=3 1218 B12R2.1020 O=C1CC2CC(C1)CCCC2 Amb25759514 [1,0,0,1,0,0|1,0,0]=3 1219 B12R2.1020 O=C1CC2CC(CCCC2)N1 Amb24393475 [1,0,0,1,0,0|1,0,0]=3 1220 B12R2.1020 O=C1C[C@@H]2CCCC[C@H](C1)N2 Amb24599015 [1,0,0,1,0,0|2,0,0]=4 1221 B12R2.1020 O=C1C[C@@H]2C[C@H](C1)CCCC2 Amb24467051 [1,0,0,1,0,0|1,0,0]=3 1222 B12R2.1081 O=C1CCCC2CCCC=C12 Amb25028197 [1,0,0,1,0,0|1,0,1]=4 1223 B12R2.1081 O=C1CCCC2CCCCN12 Amb25698796 [1,0,0,1,0,0|1,0,0]=3 1224 B12R2.1081 O=C1CCCC2CCCSC12 Amb25053103 [1,0,0,1,0,0|2,0,0]=4 1225 B12R2.1081 O=C1CCCC2CNCCC12 Amb18125580 [1,0,0,1,0,0|2,0,0]=4 1226 B12R2.1081 O=C1CCCC2CNCCN12 Amb22756093 [1,0,0,1,0,0|2,0,0]=4 1227 B12R2.1081 O=C1CCCC2CNCCN12 Amb22756159 [1,0,0,1,0,0|2,0,0]=4 1228 B12R2.1081 O=C1CCCN2CCCCC21 Amb25337490 [1,0,0,1,0,0|2,0,0]=4 1229 B12R2.1081 O=C1CCCN2CCCC[C@H]21 Amb24486174 [1,0,0,1,0,0|2,0,0]=4 1230 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 Amb22800177 [1,0,0,1,0,0|1,0,0]=3 1231 B12R2.1081 O=C1CCC[C@@H]2CNCCN12 Amb25084217 [1,0,0,1,0,0|2,0,0]=4 1232 B12R2.1081 O=C1CCC[C@H]2CCCC[C@@H]12 Amb17940792 [1,0,0,1,0,0|1,0,0]=3 1233 B12R2.1081 O=C1CCC[C@H]2CCCS[C@H]12 Amb25298420 [1,0,0,1,0,0|2,0,0]=4 1234 B12R2.1081 O=C1CCNC2C1CCCC2 Amb1948705 [1,0,0,1,0,0|2,0,0]=4 1235 B12R2.1081 O=C1CCN[C@H]2[C@H]1CCCC2 Amb1048126 [1,0,0,1,0,0|2,0,0]=4 1236 B12R2.1081 O=C1CCOC2CCCCC12 Amb18831001 [1,0,0,1,0,0|2,0,0]=4 1237 B12R2.1081 O=C1CCO[C@H]2CCCC[C@H]12 Amb24567988 [1,0,0,1,0,0|2,0,0]=4 1238 B12R2.1081 O=C1CNCC2CCCCN12 Amb22728017 [1,0,0,1,0,0|2,0,0]=4 1239 B12R2.1081 O=C1CNCC2N1CCCC2 Amb10604047 [1,0,0,1,0,0|2,0,0]=4 1240 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 Amb22751890 [1,0,0,1,0,0|2,0,0]=4 1241 B12R2.1081 O=C1COCC2CCCCN12 Amb24095705 [1,0,0,1,0,0|2,0,0]=4 1242 B12R2.1081 O=C1NCC[C@@H]2CCCC[C@H]12 Amb25357337 [1,0,0,1,0,0|2,0,0]=4 1243 B12R2.1081 O=C1NCC[C@H]2CCCC[C@@H]12 Amb25254181 [1,0,0,1,0,0|2,0,0]=4 1244 B12R2.1081 O=C1NCC[C@H]2CCCC[C@H]12 Amb25290189 [1,0,0,1,0,0|2,0,0]=4 1245 B12R2.1081 O=C1OCCC2CCCCN12 Amb25779358 [1,0,0,1,0,0|2,0,0]=4 1246 B12R2.1286 O=C1CC(CCC1)NC2CC2 Amb24397166 [1,0,0,1,0,0|2,0,0]=4 1247 B12R2.1286 O=C1CCCC(CC2CO2)N1 Amb25309679 [1,0,0,1,0,0|2,0,0]=4 1248 B12R2.1286 O=C1CN(CC2CC2)CCC1 Amb25263768 [1,0,0,1,0,0|2,0,0]=4 1249 B12R2.2092 CCCCC1C2C1CCC2=O Amb25717682 [1,0,0,1,0,0|1,0,0]=3 1250 B12R2.2092 CCCC[C@@H]1[C@@H]2[C@H]1CCC2=O Amb24584426 [1,0,0,1,0,0|1,0,0]=3 1251 B12R2.2313 O=C1CC(CCN1)C2CCC2 Amb25823102 [1,0,0,1,0,0|2,0,0]=4 1252 B12R2.2313 O=C1CC(OCC1)C2CCC2 Amb24436169 [1,0,0,1,0,0|2,0,0]=4 1253 B12R2.2313 O=C1COC[C@@H](N1)C2CCC2 Amb25188872 [1,0,0,1,0,0|2,0,0]=4 1254 B12R2.2313 O=C1COC[C@H](N1)C2CCC2 Amb25190121 [1,0,0,1,0,0|2,0,0]=4 1255 B12R2.2315 CC1CCC2CC(=O)C1CC2 Amb25094408 [1,0,0,1,0,0|1,0,0]=3 1256 B12R2.5121 O=C1CC2(CCCC2)OCC1 Amb18200740 [1,0,0,1,0,0|2,0,0]=4 1257 B12R2.5121 O=C1CC2(CCCC2)SCC1 Amb18825509 [1,0,0,1,0,0|2,0,0]=4 1258 B12R2.5121 O=C1CCCC2(CCCC2)N1 Amb24486123 [1,0,0,1,0,0|1,0,0]=3 1259 B12R2.5121 O=C1CCNC2(C1)CCCC2 Amb19374419 [1,0,0,1,0,0|2,0,0]=4 1260 B12R2.5121 O=C1CCSC2(CCCC2)N1 Amb25110110 [1,0,0,1,0,0|2,0,0]=4 1261 B12R2.5121 O=C1NCCC2(CSCC2)O1 Amb25207952 [1,0,0,1,0,0|2,0,0]=4 1262 B12R2.1 BrCC1CCC2CCCC=C21 Amb25858192 [1,0,0,1,0,0|2,0,0]=4 1263 B12R2.1 BrC[C@@H]1CC[C@H]2CCCC=C21 Amb25176569 [1,0,0,1,0,0|2,0,0]=4 1264 B12R2.2 C1CCC(NC1)C2CCCC2 Amb2237219 [1,0,0,1,0,0|1,0,1]=4 1265 B12R2.2 C1CCCC1[C@@H]2CCCCN2 Amb24546978 [1,0,0,1,0,0|1,0,1]=4 1266 B12R2.2 C1CCCC1[C@H]2CCCCN2 Amb24485791 [1,0,0,1,0,0|1,0,1]=4 1267 B12R2.2 C1CCCCC1C2CCCC2 Amb22230461 [1,0,0,1,0,0|1,0,1]=4 1268 B12R2.2 C1NCCC1C2CCCC=C2 Amb25299303 [1,0,0,1,0,0|2,0,0]=4 1269 B12R2.2 C1NCCCC1C2CCCC2 Amb18200886 [1,0,0,1,0,0|2,0,0]=4 1270 B12R2.11 CC1CC1NC2CCCC=C2 Amb24366179 [1,0,0,1,0,0|2,0,0]=4 1271 B12R2.41 C1CCCCN2CCCCC21 Amb24509257 [1,0,0,1,0,0|1,0,1]=4 1272 B12R2.41 C1CCN[C@H]2CCCCC[C@@H]21 Amb24696353 [1,0,0,1,0,0|1,0,1]=4 1273 B12R2.41 C1CCN[C@H]2CCCCC[C@H]21 Amb24679003 [1,0,0,1,0,0|1,0,1]=4 1274 B12R2.186 CNC[C@@H]1C[C@H]2CC[C@@H]1C=C2 Amb24604878 [1,0,0,1,0,0|2,0,0]=4 1275 B12R2.2057 C(NC1CC1)C2CCC=CO2 Amb18985283 [1,0,0,1,0,0|1,0,1]=4 1276 B12R2.2057 C(NC1CCCC=C1)C2CC2 Amb25708675 [1,0,0,1,0,0|2,0,0]=4 1277 B12R2.2057 C(SC1CCCC=C1)C2CC2 Amb25667804 [1,0,0,1,0,0|2,0,0]=4 1278 B12R2.2057 C1CC1CCC2CCCCN2 Amb18296301 [1,0,0,1,0,0|1,0,1]=4 1279 B12R2.2058 C(C1CCC=CO1)N2CCC2 Amb24619071 [1,0,0,1,0,0|1,0,1]=4 1280 B12R2.2058 C(C1CCCCN1)C2CCC2 Amb22642849 [1,0,0,1,0,0|1,0,1]=4 1281 B12R2.2058 C1NCCCC1CC2CCC2 Amb22642808 [1,0,0,1,0,0|2,0,0]=4 1282 B12R2.2102 CNC1CCC2CCCC1O2 Amb24575250 [1,0,0,1,0,0|1,0,1]=4 1283 B12R2.2102 CN[C@@H]1CC[C@@H]2CCC[C@H]1O2 Amb25208322 [1,0,0,1,0,0|1,0,1]=4 1284 B12R2.4370 C1CC2(CCCCC2)C=CN1 Amb25336527 [1,0,0,1,0,0|2,0,0]=4 1285 B12R2.4370 C1CC2(CCN1)CCCCO2 Amb21857836 [1,0,0,1,0,0|1,0,1]=4 1286 B12R2.4370 C1CC2(CCN1)CCCCO2 Amb22641447 [1,0,0,1,0,0|1,0,1]=4 1287 B12R2.4370 C1CCC2(CC1)CCCNC2 Amb13885498 [1,0,0,1,0,0|2,0,0]=4 1288 B12R2.4370 C1CCC2(CC1)CNCCO2 Amb17060674 [1,0,0,1,0,0|1,0,1]=4 1289 B12R2.4370 C1CCC2(CCCCC2)C=C1 Amb25149212 [1,0,0,1,0,0|1,0,0]=3 1290 B12R2.4370 C1CCCC2(CCCCO2)N1 Amb24514292 [1,0,0,1,0,0|1,0,1]=4 1291 B12R2.4370 C1CCCCC12CCCCN2 Amb18200900 [1,0,0,1,0,0|1,0,1]=4 1292 B12R2.4370 C1CCOC2(CCCCC2)N1 Amb24598700 [1,0,0,1,0,0|1,0,1]=4 1293 B12R2.4370 C1NCCOC12CCCCC2 Amb19375307 [1,0,0,1,0,0|1,0,1]=4 1294 B12R2.4370 N1CCC2(CC1)CCCCO2 Amb13883418 [1,0,0,1,0,0|1,0,1]=4 1295 B12R2.6 O=C1CCC(=C1)C2CCCC2 Amb24566961 [0,0,0,1,1,0|1,0,1]=4 1296 B12R2.6 O=C1CCC(N1)N2CCCC2 Amb25339947 [0,0,0,1,1,0|2,0,0]=4 1297 B12R2.6 O=C1CCC(O1)C2CCCN2 Amb24533165 [0,0,0,1,1,0|1,0,0]=3 1298 B12R2.6 O=C1CCN(O1)C2CCCC2 Amb25348665 [0,0,0,1,1,0|1,0,0]=3 1299 B12R2.6 O=C1CC[C@@H](N1)C2CCCC2 Amb25777113 [0,0,0,1,1,0|1,0,0]=3 1300 B12R2.6 O=C1CC[C@@H](N1)C2CNCC2 Amb25141669 [0,0,0,1,1,0|2,0,0]=4 1301 B12R2.6 O=C1CC[C@H](N1)C2CCCC2 Amb24484827 [0,0,0,1,1,0|1,0,0]=3 1302 B12R2.6 O=C1NC(CO1)C2CCCC2 Amb25147927 [0,0,0,1,1,0|2,0,0]=4 1303 B12R2.6 O=C1NCC(O1)C2CCCC2 Amb25046805 [0,0,0,1,1,0|1,0,0]=3 1304 B12R2.6 O=C1NCC(O1)C2CCCO2 Amb24407876 [0,0,0,1,1,0|2,0,0]=4 1305 B12R2.78 CC1CC1CN2CC(=O)CC2 Amb24660103 [0,0,0,1,1,0|2,0,0]=4 1306 B12R2.189 CCOC1C[C@@H]2CCC(=O)[C@@H]21 Amb24512433 [0,0,0,1,1,0|2,0,0]=4 1307 B12R2.202 CC1CCCC2=CC(=O)CC21 Amb25767117 [0,0,0,1,1,0|1,0,1]=4 1308 B12R2.202 O=C1CC2CCCC(Br)C2C1 Amb24484830 [0,0,0,1,1,0|2,0,0]=4 1309 B12R2.202 O=C1C[C@@H]2C(Br)CCC[C@@H]2O1 Amb25381451 [0,0,0,1,1,0|1,0,0]=3 1310 B12R2.202 O=C1NC2C(Cl)CCCC2O1 Amb25061240 [0,0,0,1,1,0|2,0,0]=4 1311 B12R2.202 O=C1N[C@@H]2[C@H](Cl)CCC[C@@H]2O1 Amb25269480 [0,0,0,1,1,0|2,0,0]=4 1312 B12R2.202 OC1CCCC2OC(=O)NC21 Amb25092932 [0,0,0,1,1,0|2,0,0]=4 1313 B12R2.202 O[C@@H]1CCCC2OC(=O)CC21 Amb25190179 [0,0,0,1,1,0|1,0,0]=3 1314 B12R2.202 O[C@@H]1CCC[C@@H]2OC(=O)C[C@@H]21 Amb24756695 [0,0,0,1,1,0|1,0,0]=3 1315 B12R2.202 O[C@H]1CCCC2OC(=O)CC21 Amb24412969 [0,0,0,1,1,0|1,0,0]=3 1316 B12R2.375 COC1OCC2OC(=O)CC21 Amb22499994 [0,0,0,1,1,0|2,0,0]=4 1317 B12R2.375 COC1OC[C@@H]2OC(=O)C[C@@H]21 Amb22745637 [0,0,0,1,1,0|2,0,0]=4 1318 B12R2.375 CO[C@@H]1OC[C@@H]2OC(=O)C[C@@H]21 Amb24527808 [0,0,0,1,1,0|2,0,0]=4 1319 B12R2.375 CO[C@@H]1OC[C@H]2OC(=O)C[C@H]21 Amb22752869 [0,0,0,1,1,0|2,0,0]=4 1320 B12R2.375 O=CC1CCC2OC(=O)CC21 Amb22342421 [0,0,0,1,1,0|1,0,1]=4 1321 B12R2.375 OCC1OCC2OC(=O)CC21 Amb25150580 [0,0,0,1,1,0|2,0,0]=4 1322 B12R2.375 OC[C@H]1OC[C@@H]2OC(=O)C[C@@H]21 Amb25257044 [0,0,0,1,1,0|2,0,0]=4 1323 B12R2.376 CCC1CCC=2CCC(=O)C21 Amb24509417 [0,0,0,1,1,0|1,0,1]=4 1324 B12R2.459 CC1CCCC2CC1C(=O)C2 Amb25116525 [0,0,0,1,1,0|1,0,0]=3 1325 B12R2.459 C[C@@H]1CCC[C@@H]2C[C@H]1C(=O)C2 Amb24614712 [0,0,0,1,1,0|1,0,0]=3 1326 B12R2.459 OC1CCCC2CC1C(=O)C2 Amb24434638 [0,0,0,1,1,0|2,0,0]=4 1327 B12R2.586 O=C1CCC2CCCCC=C12 Amb25773390 [0,0,0,1,1,0|1,0,1]=4 1328 B12R2.586 O=C1CCC2CCCCCC12 Amb24509422 [0,0,0,1,1,0|1,0,0]=3 1329 B12R2.586 O=C1CCC2CCNCCN12 Amb24728512 [0,0,0,1,1,0|2,0,0]=4 1330 B12R2.586 O=C1CCC=2CCCCCC21 Amb24486457 [0,0,0,1,1,0|1,0,1]=4 1331 B12R2.586 O=C1CNC2CCCCCC12 Amb25253308 [0,0,0,1,1,0|2,0,0]=4 1332 B12R2.586 O=C1CO[C@H]2CCCCC[C@H]12 Amb25318844 [0,0,0,1,1,0|2,0,0]=4 1333 B12R2.586 O=C1NCC2CCCCCC12 Amb24402179 [0,0,0,1,1,0|2,0,0]=4 1334 B12R2.586 O=C1NC[C@H]2CCCCC[C@H]12 Amb24660986 [0,0,0,1,1,0|2,0,0]=4 1335 B12R2.1041 O=C1CC2CCCCCC2C1 Amb24486177 [0,0,0,1,1,0|1,0,0]=3 1336 B12R2.1041 O=C1CC2CCCNCC2N1 Amb25287147 [0,0,0,1,1,0|2,0,0]=4 1337 B12R2.1041 O=C1CC2CCNCCC2N1 Amb24398640 [0,0,0,1,1,0|2,0,0]=4 1338 B12R2.1041 O=C1CC2CNCCCC2N1 Amb24596324 [0,0,0,1,1,0|2,0,0]=4 1339 B12R2.1041 O=C1CC2OCCCCC2N1 Amb24559212 [0,0,0,1,1,0|2,0,0]=4 1340 B12R2.1041 O=C1C[C@@H]2CCCNC[C@H]2N1 Amb18200726 [0,0,0,1,1,0|2,0,0]=4 1341 B12R2.1041 O=C1C[C@@H]2CCNCC[C@H]2N1 Amb18200725 [0,0,0,1,1,0|2,0,0]=4 1342 B12R2.1041 O=C1C[C@@H]2CNCCC[C@H]2N1 Amb18200729 [0,0,0,1,1,0|2,0,0]=4 1343 B12R2.1041 O=C1C[C@H]2CCCCCC2=C1 Amb25706929 [0,0,0,1,1,0|1,0,1]=4 1344 B12R2.1041 O=C1C[C@H]2CCCCCC2C1 Amb24466971 [0,0,0,1,1,0|1,0,0]=3 1345 B12R2.1041 O=C1C[C@H]2NCCCC[C@H]2N1 Amb25278480 [0,0,0,1,1,0|2,0,0]=4 1346 B12R2.1041 O=C1NC2CCCCCC2N1 Amb25727833 [0,0,0,1,1,0|2,0,0]=4 1347 B12R2.1041 O=C1N[C@@H]2CCCCC[C@@H]2N1 Amb25799563 [0,0,0,1,1,0|2,0,0]=4 1348 B12R2.1041 O=C1OC2CCCCCC2O1 Amb24079307 [0,0,0,1,1,0|1,0,0]=3 1349 B12R2.2298 O=C1CC(CC1)OCC2CC2 Amb25844366 [0,0,0,1,1,0|2,0,0]=4 1350 B12R2.2298 O=C1NC(CO1)CCC2CC2 Amb25200811 [0,0,0,1,1,0|2,0,0]=4 1351 B12R2.2301 O=C1CC(CC1)OC2CCC2 Amb24452323 [0,0,0,1,1,0|2,0,0]=4 1352 B12R2.2301 O=C1CCC(CC2CCC2)N1 Amb24745177 [0,0,0,1,1,0|1,0,0]=3 1353 B12R2.2314 CC1CCCC12CC(=O)CC2 Amb25838749 [0,0,0,1,1,0|1,0,0]=3 1354 B12R2.2314 CC1CCCC12COC(=O)N2 Amb25303632 [0,0,0,1,1,0|2,0,0]=4 1355 B12R2.2314 O=C1CCCC12CCC(=O)O2 Amb25709581 [0,0,0,1,1,0|1,0,1]=4 1356 B12R2.2314 OC1CCCC12CC(=O)CC2 Amb24676742 [0,0,0,1,1,0|2,0,0]=4 1357 B12R2.2314 OC1CCCC12CCC(=O)N2 Amb25828488 [0,0,0,1,1,0|2,0,0]=4 1358 B12R2.2314 O[C@@H]1CCC[C@]12CCC(=O)N2 Amb24078316 [0,0,0,1,1,0|2,0,0]=4 1359 B12R2.2918 C=C1COC2(CCCCC2)O1 Amb25198632 [0,0,0,1,1,0|2,0,0]=4 1360 B12R2.2918 O=C1CC2(CC1)CCNCC2 Amb24473114 [0,0,0,1,1,0|2,0,0]=4 1361 B12R2.2918 O=C1CC2(CO1)CCCCC2 Amb25697017 [0,0,0,1,1,0|2,0,0]=4 1362 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb19516953 [0,0,0,1,1,0|2,0,0]=4 1363 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb22587448 [0,0,0,1,1,0|2,0,0]=4 1364 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb22737011 [0,0,0,1,1,0|2,0,0]=4 1365 B12R2.2918 O=C1CCC2(CNCCC2)N1 Amb22173010 [0,0,0,1,1,0|2,0,0]=4 1366 B12R2.2918 O=C1CCC2(CNCCC2)O1 Amb22234691 [0,0,0,1,1,0|1,0,0]=3 1367 B12R2.2918 O=C1CCC2(O1)CCNCC2 Amb10070442 [0,0,0,1,1,0|1,0,0]=3 1368 B12R2.2918 O=C1CCC2(O1)CCNCC2 Amb13889035 [0,0,0,1,1,0|1,0,0]=3 1369 B12R2.2918 O=C1CNC2(N1)CCCCC2 Amb15695109 [0,0,0,1,1,0|2,0,0]=4 1370 B12R2.2918 O=C1CSC2(CCNCC2)O1 Amb24618018 [0,0,0,1,1,0|2,0,0]=4 1371 B12R2.2918 O=C1CSC2(N1)CCCCC2 Amb1086854 [0,0,0,1,1,0|2,0,0]=4 1372 B12R2.2918 O=C1NC2(CO1)CCCCC2 Amb23454618 [0,0,0,1,1,0|2,0,0]=4 1373 B12R2.2918 O=C1NC2(CS1)CCCCC2 Amb24393483 [0,0,0,1,1,0|2,0,0]=4 1374 B12R2.2918 O=C1NCC2(CNCCC2)O1 Amb19516811 [0,0,0,1,1,0|2,0,0]=4 1375 B12R2.2918 O=C1NCC2(CNCCC2)O1 Amb22587308 [0,0,0,1,1,0|2,0,0]=4 1376 B12R2.2918 O=C1NCC2(O1)CCCCC2 Amb17506327 [0,0,0,1,1,0|1,0,0]=3 1377 B12R2.2918 O=C1NCC2(O1)CCNCC2 Amb15701361 [0,0,0,1,1,0|2,0,0]=4 1378 B12R2.2918 O=C1NCC2(O1)CCNCC2 Amb17600475 [0,0,0,1,1,0|2,0,0]=4 1379 B12R2.2918 O=C1OC2(CO1)CCCCC2 Amb24060660 [0,0,0,1,1,0|1,0,0]=3 1380 B12R2.2918 O=C1OC2(CO1)CCNCC2 Amb22587312 [0,0,0,1,1,0|2,0,0]=4 1381 B12R2.2918 O=C1OCC2(O1)CCNCC2 Amb15701375 [0,0,0,1,1,0|2,0,0]=4 1382 B12R2.2918 S=C1CCC2(CCCCC2)N1 Amb24484789 [0,0,0,1,1,0|1,1,0]=4 1383 B12R2.10 BrC1CCCC1C2CCCC2 Amb25277079 [0,0,0,1,1,0|1,0,1]=4 1384 B12R2.10 ClC1CCCC1C2CCCC2 Amb18183747 [0,0,0,1,1,0|1,0,1]=4 1385 B12R2.10 NC1CCCC1C2CCCC2 Amb18280255 [0,0,0,1,1,0|1,0,1]=4 1386 B12R2.10 NN1CCCC1C2CCCC2 Amb24380481 [0,0,0,1,1,0|2,0,0]=4 1387 B12R2.10 N[C@@H]1CCC[C@@H]1C2CCCC2 Amb24531844 [0,0,0,1,1,0|1,0,1]=4 1388 B12R2.10 N[C@@H]1CCC[C@H]1C2CCCC2 Amb24512284 [0,0,0,1,1,0|1,0,1]=4 1389 B12R2.10 O=C1CCC=C1C2CCCC2 Amb25373054 [0,0,0,1,1,0|0,0,2]=4 1390 B12R2.10 O=C1CCCC1C2CC=CC2 Amb24408465 [0,0,0,1,1,0|0,0,2]=4 1391 B12R2.10 O=C1CCCC1C2CCCN2 Amb22157196 [0,0,0,1,1,0|1,0,0]=3 1392 B12R2.10 O=C1CCCC1C2OCCO2 Amb25370789 [0,0,0,1,1,0|2,0,0]=4 1393 B12R2.10 O=C1CCCN1[C@H]2CNCC2 Amb25128102 [0,0,0,1,1,0|2,0,0]=4 1394 B12R2.10 O=C1CCC[C@@H]1C2CCCC2 Amb24467570 [0,0,0,1,1,0|0,0,0]=2 1395 B12R2.10 O=C1CCNC1C2CCCC2 Amb25364452 [0,0,0,1,1,0|1,0,0]=3 1396 B12R2.10 O=C1CSCC1C2COCC2 Amb24389964 [0,0,0,1,1,0|2,0,0]=4 1397 B12R2.10 O=C1OCCC1N2CCCC2 Amb25852427 [0,0,0,1,1,0|2,0,0]=4 1398 B12R2.10 OC1CCCC1C2CCCC2 Amb18796798 [0,0,0,1,1,0|0,0,2]=4 1399 B12R2.44 CCC1CCC2CCCC2N1 Amb25044119 [0,0,0,1,1,0|1,0,1]=4 1400 B12R2.96 C=C1CCCC12CCCC2O Amb25188574 [0,0,0,1,1,0|2,0,0]=4 1401 B12R2.96 C=C1CCC[C@]12CCCC2=O Amb25730286 [0,0,0,1,1,0|0,0,2]=4 1402 B12R2.96 CC1=CCCC12CCCC2=O Amb25151622 [0,0,0,1,1,0|0,0,2]=4 1403 B12R2.96 CC1CC=CC12CCCC2=O Amb24553806 [0,0,0,1,1,0|0,0,2]=4 1404 B12R2.96 C[C@@H]1CCC[C@@]12CCCC2=O Amb24512645 [0,0,0,1,1,0|0,0,0]=2 1405 B12R2.96 C[C@H]1CCCC12CCCC2=O Amb25066359 [0,0,0,1,1,0|0,0,0]=2 1406 B12R2.96 C[C@H]1CCC[C@@]12CC=CC2=O Amb25179452 [0,0,0,1,1,0|0,0,2]=4 1407 B12R2.96 N[C@H]1CCC[C@]12CCCC2=O Amb25175028 [0,0,0,1,1,0|1,0,0]=3 1408 B12R2.96 O=C1CCCC12CCCC2Br Amb24484857 [0,0,0,1,1,0|1,0,0]=3 1409 B12R2.96 OC1CCCC12CCCC2=O Amb24645403 [0,0,0,1,1,0|1,0,0]=3 1410 B12R2.96 OC1CCCC12CCNC2=O Amb24540951 [0,0,0,1,1,0|2,0,0]=4 1411 B12R2.96 O[C@@H]1CCC[C@@]12CCCC2=O Amb24662324 [0,0,0,1,1,0|1,0,0]=3 1412 B12R2.96 O[C@H]1CCC[C@@]12CCCC2=O Amb24583530 [0,0,0,1,1,0|1,0,0]=3 1413 B12R2.110 CC1CCC1N2CCNC2=O Amb24600611 [0,0,0,1,1,0|2,0,0]=4 1414 B12R2.181 CCOC1CC12CCCC2=O Amb25348547 [0,0,0,1,1,0|1,0,0]=3 1415 B12R2.181 C\C=C\[C@H]1C[C@]12CCCC2=O Amb24724018 [0,0,0,1,1,0|0,0,2]=4 1416 B12R2.185 CCO[C@@H]1C[C@H]2CC[C@H]1C2=O Amb25179723 [0,0,0,1,1,0|1,0,0]=3 1417 B12R2.185 CCO[C@H]1C[C@H]2CC[C@@H]1C2=O Amb24594680 [0,0,0,1,1,0|1,0,0]=3 1418 B12R2.185 COCC1CC2CCC1C2=O Amb24676894 [0,0,0,1,1,0|1,0,0]=3 1419 B12R2.185 COC[C@H]1C[C@H]2CC[C@@H]1C2=O Amb25262765 [0,0,0,1,1,0|1,0,0]=3 1420 B12R2.191 CCCC1CC2CC1CC2=O Amb24509598 [0,0,0,1,1,0|0,0,0]=2 1421 B12R2.191 CCO[C@@H]1C[C@@H]2C[C@@H]1CC2=O Amb24744750 [0,0,0,1,1,0|1,0,0]=3 1422 B12R2.191 OCC[C@H]1C[C@H]2C[C@@H]1CC2=O Amb24602070 [0,0,0,1,1,0|1,0,0]=3 1423 B12R2.196 CC1CCC=C2C1CCC2=O Amb25734741 [0,0,0,1,1,0|0,0,2]=4 1424 B12R2.196 CC1CCCC2C1C=CC2=O Amb24646647 [0,0,0,1,1,0|0,0,2]=4 1425 B12R2.196 CC1CCCC2C1CCC2=O Amb25767118 [0,0,0,1,1,0|0,0,0]=2 1426 B12R2.196 CC1CCC[C@H]2[C@@H]1CCC2=O Amb24752480 [0,0,0,1,1,0|0,0,0]=2 1427 B12R2.196 C[C@H]1CCCC2[C@@H]1CCC2=O Amb25263576 [0,0,0,1,1,0|0,0,0]=2 1428 B12R2.196 O=C1CCC[C@H]2[C@@H]1CCC2=O Amb25236986 [0,0,0,1,1,0|1,0,1]=4 1429 B12R2.196 OC1CCCC2C1CCC2=O Amb25073369 [0,0,0,1,1,0|1,0,0]=3 1430 B12R2.196 OC1CCCN2C1CCC2=O Amb25749036 [0,0,0,1,1,0|2,0,0]=4 1431 B12R2.196 O[C@H]1CCC[C@H]2[C@H]1CCC2=O Amb24512596 [0,0,0,1,1,0|1,0,0]=3 1432 B12R2.305 CCC1CC1N2CCCC2=N Amb25352218 [0,0,0,1,1,0|2,0,0]=4 1433 B12R2.305 CCC1CC1N2CNCC2=O Amb25148177 [0,0,0,1,1,0|2,0,0]=4 1434 B12R2.305 OCC1CC1N2CCCC2=O Amb25266689 [0,0,0,1,1,0|2,0,0]=4 1435 B12R2.305 OC[C@H]1C[C@H]1N2CCCC2=O Amb24549753 [0,0,0,1,1,0|2,0,0]=4 1436 B12R2.367 C=CC1CCC2C1CCC2=O Amb24424718 [0,0,0,1,1,0|0,0,2]=4 1437 B12R2.367 COC1OC[C@H]2[C@@H]1CCC2=O Amb25373089 [0,0,0,1,1,0|2,0,0]=4 1438 B12R2.367 C\C=C/1\CC[C@H]2[C@@H]1CCC2=O Amb24520540 [0,0,0,1,1,0|0,0,2]=4 1439 B12R2.367 OCC1CCN2C1CCC2=O Amb25069703 [0,0,0,1,1,0|2,0,0]=4 1440 B12R2.367 OC[C@@H]1CCN2[C@@H]1CCC2=O Amb25256693 [0,0,0,1,1,0|2,0,0]=4 1441 B12R2.367 OC[C@H]1CCN2[C@@H]1CCC2=O Amb24613451 [0,0,0,1,1,0|2,0,0]=4 1442 B12R2.466 N=C1CCCN1CCC2CC2 Amb25315887 [0,0,0,1,1,0|2,0,0]=4 1443 B12R2.466 O=C1CCCN1CCC2CO2 Amb24357707 [0,0,0,1,1,0|2,0,0]=4 1444 B12R2.466 O=C1CNCN1CCC2CC2 Amb24610318 [0,0,0,1,1,0|2,0,0]=4 1445 B12R2.466 O=C1CSCC1CCC2CC2 Amb25151764 [0,0,0,1,1,0|1,0,0]=3 1446 B12R2.466 O=C1NCCC1SCC2CC2 Amb24734592 [0,0,0,1,1,0|2,0,0]=4 1447 B12R2.466 O=C1OCCC1SCC2CC2 Amb25751917 [0,0,0,1,1,0|2,0,0]=4 1448 B12R2.694 O=C1C2CCC1CCCCC2 Amb22356366 [0,0,0,1,1,0|0,0,0]=2 1449 B12R2.1114 NC1CCCC1CC2CCC2 Amb24514141 [0,0,0,1,1,0|1,0,1]=4 1450 B12R2.1114 O=C1CCCC1CC2CCC2 Amb24406007 [0,0,0,1,1,0|0,0,0]=2 1451 B12R2.1114 O=C1CCCN1CC2CNC2 Amb23598551 [0,0,0,1,1,0|2,0,0]=4 1452 B12R2.1114 O=C1CNCN1CC2CCC2 Amb25151755 [0,0,0,1,1,0|2,0,0]=4 1453 B12R2.1114 O=C1CSCC1CC2CCC2 Amb25258656 [0,0,0,1,1,0|1,0,0]=3 1454 B12R2.1114 OC1CCCC1CC2CCC2 Amb24704825 [0,0,0,1,1,0|0,0,2]=4 1455 B14R2.849 CCCCN1C2CC(=O)CC1CC2 Amb18805387 [0,0,0,1,0,1|2,0,0]=4 1456 B14R2.849 CCCCN1[C@@H]2CC(=O)C[C@H]1CC2 Amb25278335 [0,0,0,1,0,1|2,0,0]=4 1457 B14R2.2303 OCC1CCC2CCCCC(=O)N21 Amb25048521 [0,0,0,1,0,1|2,0,0]=4 1458 B14R2.2303 OC[C@@H]1CCC2CCCCC(=O)N21 Amb25236221 [0,0,0,1,0,1|2,0,0]=4 1459 B14R2.5452 OC1CCCC12CC(=O)CCCC2 Amb25676698 [0,0,0,1,0,1|2,0,0]=4 1460 B14R2.7840 O=C1NC2CNCC1CCCCC2 Amb18278104 [0,0,0,1,0,1|1,0,0]=3 1461 B14R2.7840 O=C1N[C@@H]2CNC[C@H]1CCCCC2 Amb25245216 [0,0,0,1,0,1|1,0,0]=3 1462 B14R2.8028 O=C1CCCC2CCCNCC2N1 Amb25695404 [0,0,0,1,0,1|2,0,0]=4 1463 B14R2.8028 O=C1CCCC2CNCCCC2N1 Amb25690275 [0,0,0,1,0,1|2,0,0]=4 1464 B14R2.8028 O=C1CCC[C@@H]2CCCNC[C@H]2N1 Amb18192427 [0,0,0,1,0,1|2,0,0]=4 1465 B14R2.8028 O=C1CCC[C@@H]2CCNCC[C@H]2N1 Amb18192425 [0,0,0,1,0,1|2,0,0]=4 1466 B14R2.8028 O=C1CCC[C@@H]2CNCCC[C@H]2N1 Amb18192430 [0,0,0,1,0,1|2,0,0]=4 1467 B14R2.21172 O=C1CN(CCCN1)CCC2CC2 Amb24541399 [0,0,0,1,0,1|2,0,0]=4 1468 B14R2.23348 O=C1CC(CCCN1)NC2CCC2 Amb25683901 [0,0,0,1,0,1|2,0,0]=4 1469 B14R2.23919 O=C1CC2(CCCCC2)SCCN1 Amb22642280 [0,0,0,1,0,1|2,0,0]=4 1470 B14R2.28454 O[C@H]1CCC[C@H]2OC(=O)CCC[C@@H]21 Amb25266756 [0,0,0,1,0,1|1,0,0]=3 1471 B14R2.2308 O=C1CC2C(CCl)CCC2CCC1 Amb24595795 [0,0,0,1,0,1|2,0,0]=4 1472 B14R2.20978 O=C1CCC2(CCN1)CCCCC2 Amb25858236 [0,0,0,1,0,1|2,0,0]=4 1473 B14R2.20978 O=C1CCNC2(CC1)CCCCC2 Amb24594269 [0,0,0,1,0,1|2,0,0]=4 1474 B14R2.13 C=CC1CCCC12CC(=O)CCC2 Amb25767010 [0,1,0,1,0,0|1,0,1]=4 1475 B14R2.13 C=C[C@@H]1CCC[C@@]12CC(=O)CCC2 Amb24544638 [0,1,0,1,0,0|1,0,1]=4 1476 B14R2.13 CCC1CCCC12COCC(=O)N2 Amb24588995 [0,1,0,1,0,0|2,0,0]=4 1477 B14R2.13 C[C@H]1CCC[C@@]2(CCC[C@H]2CO)O1 Amb24581783 [0,1,0,1,0,0|1,0,1]=4 1478 B14R2.13 C\C=C/1\CCCC12CCCC(=O)C2 Amb25821445 [0,1,0,1,0,0|1,0,1]=4 1479 B14R2.21 O=C1CC(CCC1)C2CCCC=C2 Amb24378406 [0,1,0,1,0,0|1,0,1]=4 1480 B14R2.21 O=C1CC(CCC1)C2CCCCC2 Amb25736052 [0,1,0,1,0,0|1,0,0]=3 1481 B14R2.21 O=C1CC(CCC1)C2COCCC2 Amb24420311 [0,1,0,1,0,0|1,0,0]=3 1482 B14R2.21 O=C1CC(CCC1)N2CCNCC2 Amb25049643 [0,1,0,1,0,0|2,0,0]=4 1483 B14R2.21 O=C1CC(CCN1)C2CCNCC2 Amb20414469 [0,1,0,1,0,0|2,0,0]=4 1484 B14R2.21 O=C1CC(OCC1)C2CCOCC2 Amb25282242 [0,1,0,1,0,0|2,0,0]=4 1485 B14R2.21 O=C1CC(OCC1)C2COCCC2 Amb24586513 [0,1,0,1,0,0|2,0,0]=4 1486 B14R2.21 O=C1CCCC(=C1)C2CCOCC2 Amb25071995 [0,1,0,1,0,0|1,0,1]=4 1487 B14R2.21 O=C1CCCC(=C1)C2COCCC2 Amb25090729 [0,1,0,1,0,0|1,0,1]=4 1488 B14R2.21 O=C1CCCC(N1)C2CCCCC2 Amb24600075 [0,1,0,1,0,0|1,0,0]=3 1489 B14R2.21 O=C1CCCC(N1)C2CCCCN2 Amb23580689 [0,1,0,1,0,0|1,0,0]=3 1490 B14R2.21 O=C1CCCC(N1)N2CCNCC2 Amb24533656 [0,1,0,1,0,0|2,0,0]=4 1491 B14R2.21 O=C1CN(CCC1)C2CCNCC2 Amb22292312 [0,1,0,1,0,0|2,0,0]=4 1492 B14R2.21 O=C1CN(CCC1)C2COCCC2 Amb25798753 [0,1,0,1,0,0|2,0,0]=4 1493 B14R2.21 O=C1CNCC(N1)C2CCCCC2 Amb25194587 [0,1,0,1,0,0|2,0,0]=4 1494 B14R2.21 O=C1CNC[C@H](N1)C2CCCCC2 Amb25054433 [0,1,0,1,0,0|2,0,0]=4 1495 B14R2.21 O=C1COCC(N1)C2CCCCC2 Amb25841029 [0,1,0,1,0,0|2,0,0]=4 1496 B14R2.21 O=C1COCC(N1)C2CCOCC2 Amb25262799 [0,1,0,1,0,0|2,0,0]=4 1497 B14R2.21 O=C1COC[C@@H](N1)C2CCCCC2 Amb25342169 [0,1,0,1,0,0|2,0,0]=4 1498 B14R2.21 O=C1COC[C@H](N1)C2CCCCC2 Amb24743379 [0,1,0,1,0,0|2,0,0]=4 1499 B14R2.269 OC1CCCC1N2CC(=O)CCC2 Amb25373454 [0,1,0,1,0,0|2,0,0]=4 1500 B14R2.716 O=C1CC(CC2CCCC2)OCC1 Amb24552655 [0,1,0,1,0,0|2,0,0]=4 1501 B14R2.716 O=C1CC(CC=2CCCN2)CCC1 Amb25272933 [0,1,0,1,0,0|1,0,1]=4 1502 B14R2.716 O=C1CCCC(=C1)NC2CCCC2 Amb25071398 [0,1,0,1,0,0|1,0,1]=4 1503 B14R2.1073 COC1CCCC2NC(=O)CNC21 Amb25191344 [0,1,0,1,0,0|2,0,0]=4 1504 B14R2.3082 O=C1C[C@H]2C[C@@H](C1)N(CCCl)CC2 Amb24629116 [0,1,0,1,0,0|2,0,0]=4 1505 B14R2.3082 OCCN1CCC2CC1CC(=O)C2 Amb25346374 [0,1,0,1,0,0|2,0,0]=4 1506 B14R2.4475 O=C1CCCC(CNC2CCC2)N1 Amb25042551 [0,1,0,1,0,0|1,0,0]=3 1507 B14R2.6368 CCCC1CNC=2CCCC(=O)C21 Amb24342466 [0,1,0,1,0,0|1,0,1]=4 1508 B14R2.7841 O=C1CC2CC(CCCCCC2)=C1 Amb24380783 [0,1,0,1,0,0|1,0,1]=4 1509 B14R2.7963 O=C1CCCC=2CCCCCCC21 Amb25767703 [0,1,0,1,0,0|1,0,1]=4 1510 B14R2.10497 CCCCC1=CC2CCCC(=O)C12 Amb25128270 [0,1,0,1,0,0|1,0,1]=4 1511 B14R2.11635 OCC1CCCC2CCCC(=O)C21 Amb25097817 [0,1,0,1,0,0|1,0,0]=3 1512 B14R2.20965 C=C1CCCCC12CC(=O)CCC2 Amb25322828 [0,1,0,1,0,0|1,0,1]=4 1513 B14R2.20965 CC1CCCCC12CC(=O)CCO2 Amb25105366 [0,1,0,1,0,0|2,0,0]=4 1514 B14R2.20965 O=C1CC2(CCCCC2Cl)CCC1 Amb24386499 [0,1,0,1,0,0|1,0,0]=3 1515 B14R2.20965 O=C1CCCCC12CCNC(=O)O2 Amb24089190 [0,1,0,1,0,0|1,0,1]=4 1516 B14R2.20965 O=C1CCCC[C@]12CCCC(=O)N2 Amb25733075 [0,1,0,1,0,0|1,0,1]=4 1517 B14R2.20965 OC1CCCCC12CC(=O)CCC2 Amb25357445 [0,1,0,1,0,0|1,0,0]=3 1518 B14R2.20965 O[C@@H]1CCCC[C@]12CCCC(=O)N2 Amb24682784 [0,1,0,1,0,0|1,0,0]=3 1519 B14R2.23229 O=C1CC2(CCCCCC2)NCC1 Amb18192857 [0,1,0,1,0,0|2,0,0]=4 1520 B14R2.23229 O=C1CC2(CCCCCC2)OCC1 Amb18192438 [0,1,0,1,0,0|2,0,0]=4 1521 B14R2.23229 O=C1CC2(CCCCCC2)SCC1 Amb18187892 [0,1,0,1,0,0|2,0,0]=4 1522 B14R2.23229 O=C1CC2(CCCOCC2)NCC1 Amb18191964 [0,1,0,1,0,0|2,0,0]=4 1523 B14R2.23229 O=C1CC2(CCCOCC2)OCC1 Amb18191664 [0,1,0,1,0,0|2,0,0]=4 1524 B14R2.23229 O=C1CC2(CCCSCC2)NCC1 Amb18187601 [0,1,0,1,0,0|2,0,0]=4 1525 B14R2.23229 O=C1COCC2(CCCCCC2)N1 Amb25298613 [0,1,0,1,0,0|2,0,0]=4 1526 B14R2.23229 O=C1NCCC2(CCCNCC2)O1 Amb25212372 [0,1,0,1,0,0|1,0,0]=3 1527 B14R2.23229 O=C1NCCC2(CCCOCC2)O1 Amb24637019 [0,1,0,1,0,0|1,0,0]=3 1528 B14R2.22 OC1CN(CC1)C2CC(=O)CCC2 Amb25698638 [0,1,0,1,0,0|2,0,0]=4 1529 B14R2.1531 CCC1CC2(CC(=O)CCO2)CC1 Amb25076878 [0,1,0,1,0,0|2,0,0]=4 1530 B14R2.5634 CN1CCC2CCC(=O)NC2CC1 Amb25699953 [0,1,0,1,0,0|2,0,0]=4 1531 B14R2.28523 C[C@H]1[C@H](O)CC[C@@H]2CCCC(=O)N21 Amb25285593 [0,1,0,1,0,0|1,0,0]=3 1532 B14R2.28978 CC1CCC2(COCC(=O)N2)CC1 Amb24625846 [0,1,0,1,0,0|2,0,0]=4 1533 B14R2.23 CN1C(CNCC1=O)C2CCCC2 Amb24456922 [0,1,0,1,0,0|2,0,0]=4 1534 B14R2.918 CCCCC1=C[C@H]2[C@@H]1CCCC2=O Amb24744665 [0,1,0,1,0,0|1,0,1]=4 1535 B14R2.5708 CN1[C@@H]2CCCNC[C@H]2CCC1=O Amb18192431 [0,1,0,1,0,0|2,0,0]=4 1536 B14R2.5708 CN1[C@@H]2CCNCC[C@H]2CCC1=O Amb18192426 [0,1,0,1,0,0|2,0,0]=4 1537 B14R2.5708 CN1[C@@H]2CNCCC[C@H]2CCC1=O Amb18192428 [0,1,0,1,0,0|2,0,0]=4 1538 B14R2.8038 CC=1C(=O)CCC2C(C)CCCC12 Amb24341393 [0,1,0,1,0,0|1,0,1]=4 1539 B14R2.8038 CN1C2CCCC(O)C2CCC1=O Amb25048475 [0,1,0,1,0,0|2,0,0]=4 1540 B14R2.27951 C[C@@H]1[C@@H]2CCCCCC(C2)=CC1=O Amb25262703 [0,1,0,1,0,0|1,0,1]=4 1541 B14R2.28532 C[C@@]12C(O)CCC[C@H]1CCCC2=O Amb24620836 [0,1,0,1,0,0|2,0,0]=4 1542 B14R2.28532 C[C@@]12[C@H](O)CCC[C@H]1CCCC2=O Amb24675408 [0,1,0,1,0,0|2,0,0]=4 1543 B14R2.28532 C[C@]12[C@@H](O)CCC[C@@H]1CCCC2=O Amb25220962 [0,1,0,1,0,0|2,0,0]=4 1544 B14R2.28532 C[C@]12[C@H](O)CCC[C@@H]1CCCC2=O Amb25177088 [0,1,0,1,0,0|2,0,0]=4 1545 B14R2.4471 CC1(CCCC1)C2CC(=O)CCO2 Amb25361382 [0,1,0,1,0,0|2,0,0]=4 1546 B14R2.8051 CC1CCC(O)C2C1CCCC2=O Amb24705834 [0,1,0,1,0,0|2,0,0]=4 1547 B14R2.8751 C[C@H]1CC[C@H](C)C2=CC(=O)CC[C@@H]21 Amb24621289 [0,1,0,1,0,0|1,0,1]=4 1548 B14R2.4217 O[C@H]1C[C@H]2OC(=O)CC[C@H]2[C@@H]1CO Amb25357438 [0,1,0,1,0,0|1,0,0]=3 1549 B14R2.4479 CC1(CN2CC(=O)CCC2)CCC1 Amb24735359 [0,1,0,1,0,0|2,0,0]=4 1550 B14R2.20968 CC1CC2(CC(=O)CCO2)CCC1 Amb25674680 [0,1,0,1,0,0|2,0,0]=4 1551 B14R2.20968 CC1CCCC2(CC(O)CCC2)O1 Amb25219160 [0,1,0,1,0,0|1,0,1]=4 1552 B14R2.20968 C[C@H]1CCC[C@]2(C[C@@H](O)CCC2)O1 Amb25256753 [0,1,0,1,0,0|1,0,1]=4 1553 B14R2.20968 O=C1CC2(CCCC(=O)N2)CCC1 Amb24759055 [0,1,0,1,0,0|1,0,1]=4 1554 B14R2.20968 O=C1C[C@@]2(CCCC(=O)N2)CCC1 Amb24462809 [0,1,0,1,0,0|1,0,1]=4 1555 B14R2.20968 OC1CC2(CC(=O)CCC2)CCC1 Amb25787304 [0,1,0,1,0,0|1,0,0]=3 1556 B14R2.20968 OC1CC2(CCCC(=S)N2)CCC1 Amb25141989 [0,1,0,1,0,0|1,1,0]=4 1557 B14R2.20968 O[C@@H]1C[C@@]2(CC(=O)CCC2)CCC1 Amb25177101 [0,1,0,1,0,0|1,0,0]=3 1558 B14R2.20968 O[C@@H]1C[C@]2(CCCC(=O)N2)CCC1 Amb24592442 [0,1,0,1,0,0|1,0,0]=3 1559 B14R2.20968 O[C@H]1C[C@@]2(CC(=O)CCC2)CCC1 Amb24576966 [0,1,0,1,0,0|1,0,0]=3 1560 B14R2.20968 O[C@H]1C[C@]2(CCCC(=O)N2)CCC1 Amb25343874 [0,1,0,1,0,0|1,0,0]=3 1561 B14R2.27087 CCCC=1CC2CC(CC(=O)C2)C1 Amb25729131 [0,1,0,1,0,0|1,0,1]=4 1562 B14R2.28480 CC1CCCC2NC(=O)NC(Cl)C21 Amb25369603 [0,1,0,1,0,0|2,0,0]=4 1563 B14R2.29365 CC1CC(C)CC2=CC(=O)CCC21 Amb24646710 [0,1,0,1,0,0|1,0,1]=4 1564 B14R2.29365 C[C@H]1C[C@@H](C)CC2=CC(=O)CC[C@@H]21 Amb24633339 [0,1,0,1,0,0|1,0,1]=4 1565 B14R2.29365 O=C1CCC2C(CC(Cl)CC2Cl)N1 Amb25670453 [0,1,0,1,0,0|2,0,0]=4 1566 B14R2.249 CC1CC(=O)CC(N1)C2CCCC2 Amb18823955 [0,1,0,1,0,0|2,0,0]=4 1567 B14R2.249 O=C1CC(CC(=O)C1)C2CCCC2 Amb25785351 [0,1,0,1,0,0|1,0,1]=4 1568 B14R2.249 O=C1CC(NC(=O)C1)C2CCCC2 Amb24472527 [0,1,0,1,0,0|1,0,1]=4 1569 B14R2.6126 CC1CC(=N)NC2CCCCCC21 Amb25034160 [0,1,0,1,0,0|2,0,0]=4 1570 B14R2.6126 CC1CC(=O)C2CCCCCC2O1 Amb18192436 [0,1,0,1,0,0|2,0,0]=4 1571 B14R2.6126 CC1CC(=O)NC2CCCCCC21 Amb24447071 [0,1,0,1,0,0|1,0,0]=3 1572 B14R2.6126 C[C@H]1CC(=N)N[C@H]2CCCCC[C@H]21 Amb24612026 [0,1,0,1,0,0|2,0,0]=4 1573 B14R2.30027 CC1CC(Cl)CC2(CCCCC2)O1 Amb25324925 [0,1,0,1,0,0|1,0,1]=4 1574 B14R2.30027 C[C@@H]1C[C@H](Cl)CC2(CCCCC2)O1 Amb25216205 [0,1,0,1,0,0|1,0,1]=4 1575 B14R2.30027 O=C1CC(=O)OC2(O1)CCCCC2 Amb1911729 [0,1,0,1,0,0|1,0,1]=4 1576 B14R2.34173 C[C@H]1CC(=O)N[C@H]2[C@@H]1[C@H]2CCCC Amb24550105 [0,1,0,1,0,0|1,0,0]=3 1577 B14R2.4476 OC(=O)C1CC1C2CCCC(=O)O2 Amb24658058 [0,1,0,1,0,0|1,0,1]=4 1578 B14R2.4640 CC1(C)CCCC2=CC(=O)CC[C@@H]12 Amb24643468 [0,1,0,1,0,0|1,0,1]=4 1579 B14R2.4640 CC1(C)CCCC2CC(=O)CCC12 Amb25098812 [0,1,0,1,0,0|1,0,0]=3 1580 B14R2.5006 OC(=O)CC1CC2CC1CC(=O)O2 Amb24490191 [0,1,0,1,0,0|1,0,1]=4 1581 B14R2.5006 OC(=O)C[C@H]1C[C@H]2C[C@@H]1CC(=O)O2 Amb24563341 [0,1,0,1,0,0|1,0,1]=4 1582 B14R2.8053 CC(C)C=1CCC2CCCC(=O)C12 Amb25729128 [0,1,0,1,0,0|1,0,1]=4 1583 B14R2.53739 CC1(C)CCCC12CC(=O)CCO2 Amb25703230 [0,1,0,1,0,0|2,0,0]=4 1584 B14R2.306 CN1CCC(=O)CC1C2CCCC2 Amb24359114 [0,1,0,1,0,0|2,0,0]=4 1585 B14R2.7481 CCCC1CC2=CC(=O)CCC21C Amb24564917 [0,1,0,1,0,0|1,0,1]=4 1586 B14R2.8504 CC12CCC(=O)C=C1CCCCC2 Amb25128927 [0,1,0,1,0,0|1,0,1]=4 1587 B14R2.8504 C[C@@]12CCC(=O)C=C1CCCCC2 Amb24614816 [0,1,0,1,0,0|1,0,1]=4 1588 B14R2.8610 NC1CCC(=O)N2CCCCCC21 Amb25255281 [0,1,0,1,0,0|1,0,0]=3 1589 B14R2.8610 O=C1CCC(=O)C2CCCCCN12 Amb18193117 [0,1,0,1,0,0|1,0,1]=4 1590 B14R2.10091 CCCCC1C2CC(=O)C1CC2O Amb24430984 [0,1,0,1,0,0|1,0,0]=3 1591 B14R2.13655 CC1CNC(=O)OC12CCNCC2 Amb24728189 [0,1,0,1,0,0|2,0,0]=4 1592 B14R2.13655 NC1CCC(=O)NC12CCOCC2 Amb25071730 [0,1,0,1,0,0|2,0,0]=4 1593 B14R2.13655 O=C1CCC(=O)NC12CCCCC2 Amb24462880 [0,1,0,1,0,0|1,0,1]=4 1594 B14R2.29234 CC12CCC(=O)OC1CCCC2O Amb24495824 [0,1,0,1,0,0|1,0,0]=3 1595 B14R2.29234 C[C@@]12CCC(=O)C=C1CCC[C@H]2C Amb24737499 [0,1,0,1,0,0|1,0,1]=4 1596 B14R2.29234 C[C@]12CCC(=O)C=C1CCC[C@H]2C Amb24512745 [0,1,0,1,0,0|1,0,1]=4 1597 B14R2.29234 C[C@]12CCC(=O)C[C@@H]1CCCC2O Amb25346104 [0,1,0,1,0,0|2,0,0]=4 1598 B14R2.29234 C[C@]12CCC(=O)C[C@@H]1CCC[C@@H]2O Amb25201622 [0,1,0,1,0,0|2,0,0]=4 1599 B14R2.29234 C[C@]12CCC(=O)N[C@@H]1CCC[C@@H]2O Amb25277202 [0,1,0,1,0,0|2,0,0]=4 1600 B14R2.29234 C[C@]12CCC(=O)N[C@H]1CCC[C@H]2O Amb24632522 [0,1,0,1,0,0|2,0,0]=4 1601 B14R2.29234 C[C@]12CCC(=O)O[C@@H]1CCC[C@@H]2O Amb25245276 [0,1,0,1,0,0|1,0,0]=3 1602 B14R2.29234 O=C1CCC2(C(=C1)CCCC2C)C Amb17594563 [0,1,0,1,0,0|1,0,1]=4 1603 B14R2.10 O=CC1CCCC(O1)C2CCCO2 Amb25670615 [0,1,0,1,0,0|1,0,1]=4 1604 B14R2.10 O=CC1CCCC(O1)C2COCC2 Amb25356650 [0,1,0,1,0,0|1,0,1]=4 1605 B14R2.10 OCC1CCCC(O1)C2CCCC2 Amb24376829 [0,1,0,1,0,0|0,0,2]=4 1606 B14R2.11723 CC1CCCC12CCCC(CO)O2 Amb25670811 [0,1,0,1,0,0|0,0,2]=4 1607 B14R2.11723 CC1OCCC12CCCC(C=O)O2 Amb24660319 [0,1,0,1,0,0|1,0,1]=4 1608 B14R2.38170 O=CC1CCCC2(CCCCC2)O1 Amb24443577 [0,1,0,1,0,0|0,0,1]=3 1609 B14R2.38170 O=C[C@@H]1CCC[C@]2(CCCCO2)O1 Amb25228493 [0,1,0,1,0,0|1,0,1]=4 1610 B14R2.38170 OCC=1CCCC2(CCCCC2)C1 Amb25180006 [0,1,0,1,0,0|1,0,1]=4 1611 B14R2.8551 CC1CCC2(CCCC2O)OC1=O Amb24352173 [0,1,0,1,0,0|1,0,0]=3 1612 B14R2.8551 C[C@@H]1CC[C@]2(CCC[C@H]2O)OC1=O Amb25236584 [0,1,0,1,0,0|1,0,0]=3 1613 B14R2.28472 CC1CCCC2NC(=O)C(C)NC12 Amb25832763 [0,1,0,1,0,0|2,0,0]=4 1614 B14R2.715 CC1(CC(=O)CCO1)C2CCCC2 Amb25696311 [0,1,0,1,0,0|2,0,0]=4 1615 B14R2.715 CC1(COCC(=O)N1)C2CCCC2 Amb24625859 [0,1,0,1,0,0|2,0,0]=4 1616 B14R2.24466 C[C@@]12CC(=O)CC[C@H]1[C@@H](O)CCC2 Amb24515391 [0,1,0,1,0,0|2,0,0]=4 1617 B14R3.198 O=C1CC2CC(N1)C3C2CCC3 Amb16767280 [0,0,0,2,0,0|1,0,0]=3 1618 B14R3.198 O=C1C[C@H]2C[C@@H](C1)[C@@H]3CCC[C@H]23 Amb25179699 [0,0,0,2,0,0|1,0,0]=3 1619 B14R3.375 O=C1CC2C(CC1)C3CCCC23 Amb24583072 [0,0,0,2,0,0|1,0,0]=3 1620 B14R3.715 O=C1CC2CCC1C3CCCC23 Amb25050281 [0,0,0,2,0,0|1,0,0]=3 1621 B14R3.5013 O=C1CCCC=2C3CCCC3C21 Amb24631648 [0,0,0,2,0,0|1,0,1]=4 1622 B14R3.5013 O=C1CCCC=2[C@H]3CCC[C@H]3C21 Amb24614806 [0,0,0,2,0,0|1,0,1]=4 1623 B14R3.5013 O=C1CCC[C@H]2[C@H]1[C@H]3CCC[C@@H]23 Amb25233729 [0,0,0,2,0,0|1,0,0]=3 1624 B14R3.5013 O=C1CCOC2C1C3CCCC32 Amb25718928 [0,0,0,2,0,0|2,0,0]=4 1625 B14R3.5013 O=C1CCO[C@@H]2[C@H]1[C@H]3CCC[C@H]32 Amb25179602 [0,0,0,2,0,0|2,0,0]=4 1626 B14R3.6020 O=C1CC[C@@H]2[C@@H]3C[C@@H](CC3)C2=C1 Amb24577757 [0,0,0,2,0,0|1,0,1]=4 1627 B14R3.6020 O=C1NC2C(CN1)C3CC2CC3 Amb24629769 [0,0,0,2,0,0|2,0,0]=4 1628 B14R3.6020 O=C1NC[C@H]2[C@@H](O1)[C@H]3C[C@@H]2CC3 Amb24678823 [0,0,0,2,0,0|1,0,0]=3 1629 B14R3.6020 O=C1N[C@@H]2[C@H](CO1)[C@@H]3C[C@H]2CC3 Amb24741772 [0,0,0,2,0,0|2,0,0]=4 1630 B14R3.6020 OC1CCC2C(O1)C3CC2CC3 Amb24618599 [0,0,0,2,0,0|0,0,2]=4 1631 B14R3.6020 OC1CC[C@H]2[C@@H](O1)[C@H]3C[C@@H]2CC3 Amb25333399 [0,0,0,2,0,0|0,0,2]=4 1632 B14R3.8335 O=C1CCC[C@H]2[C@@H]1[C@@H]3C[C@H]2CC3 Amb24722814 [0,0,0,2,0,0|1,0,0]=3 1633 B14R3.8022 O=C1CN2CC3CCCC(C2)C13 Amb25050238 [0,0,0,2,0,0|2,0,0]=4 1634 B14R3.3870 O=C1CC2[C@@H]3CC[C@@H]3CN2CC1 Amb18828219 [0,0,0,2,0,0|2,0,0]=4 1635 B14R3.727 O=C1CC2CC3(C1)CCCC3O2 Amb24364122 [0,0,0,2,0,0|2,0,0]=4 1636 B14R3.8697 O=C1CC2C3CC(C1)N2CCC3 Amb23596964 [0,0,0,2,0,0|2,0,0]=4 1637 B14R3.619 O=C1C[C@H]2C[C@@H]3CCCC[C@H]2[C@H]13 Amb24614696 [0,0,0,2,0,0|1,0,0]=3 1638 B14R3.925 O=C1CC2CCC3CCC(C1)C23 Amb25773452 [0,0,0,2,0,0|1,0,0]=3 1639 B14R3.925 O=C1CC2CCN3CCC(C1)C32 Amb24422487 [0,0,0,2,0,0|2,0,0]=4 1640 B14R3.925 O=C1C[C@H]2CCN3CC[C@@H](C1)[C@H]32 Amb24456540 [0,0,0,2,0,0|2,0,0]=4 1641 B14R3.3853 O=C1CCC2C1C23CCCCC3 Amb24357303 [0,0,0,2,0,0|1,0,0]=3 1642 B14R3.5009 O=C1CCCC23CCCCC2C31 Amb25282792 [0,0,0,2,0,0|1,0,0]=3 1643 B14R3.4434 O=C1CC2CC3CCCC13CC2 Amb24422517 [0,0,0,2,0,0|1,0,0]=3 1644 B14R3.387 O=C1CCC2CC3CCCN2C13 Amb23596967 [0,0,0,2,0,0|2,0,0]=4 1645 B14R3.387 O=C1CNC2CC3CCCC2C13 Amb24433928 [0,0,0,2,0,0|2,0,0]=4 1646 B14R3.5016 O=C1CCCC23CCCC2CC31 Amb24408303 [0,0,0,2,0,0|1,0,0]=3 1647 B14R3.5016 O=C1CCCC23OCCC2CC31 Amb25767115 [0,0,0,2,0,0|2,0,0]=4 1648 B14R3.5016 O=C1CCC[C@@]23CCC[C@@H]2C[C@@H]31 Amb24512494 [0,0,0,2,0,0|1,0,0]=3 1649 B14R3.5016 O=C1CCC[C@@]23OCC[C@@H]2C[C@H]31 Amb25230667 [0,0,0,2,0,0|2,0,0]=4 1650 B14R3.5016 O=C1CCC[C@]23OCC[C@@H]2C[C@H]31 Amb25377856 [0,0,0,2,0,0|2,0,0]=4 1651 B14R3.5016 O=C1CCO[C@@]23CCC[C@@H]2C[C@H]31 Amb24706825 [0,0,0,2,0,0|2,0,0]=4 1652 B14R3.5016 O=C1NCCC23CCCC2CC31 Amb25727749 [0,0,0,2,0,0|2,0,0]=4 1653 B14R3.5016 O=C1NCC[C@@]23CCC[C@@H]2C[C@H]31 Amb25288431 [0,0,0,2,0,0|2,0,0]=4 1654 B14R3.3858 O=C1CCC23CC2CCCC3=C1 Amb24532521 [0,0,0,2,0,0|1,0,1]=4 1655 B14R3.8305 O=C1CCCC2CC3CCCC123 Amb25834383 [0,0,0,2,0,0|1,0,0]=3 1656 B14R3.8305 O=C1CCC[C@@H]2C[C@H]3CCC[C@@]123 Amb24706879 [0,0,0,2,0,0|1,0,0]=3 1657 B14R3.8305 O=C1NCC[C@H]2C[C@@H]3CCC[C@@]132 Amb25207805 [0,0,0,2,0,0|2,0,0]=4 1658 B14R3.7995 O=C1CC2CCCC3CC1CC32 Amb25112609 [0,0,0,2,0,0|1,0,0]=3 1659 B14R3.7995 O=C1C[C@H]2CCC[C@H]3C[C@@H]1C[C@H]32 Amb24614814 [0,0,0,2,0,0|1,0,0]=3 1660 B14R3.6001 O=C1CCC2C3CC1N2CCC3 Amb25735222 [0,0,0,2,0,0|2,0,0]=4 1661 B10R0.86 CCCCCC(CC)C(O)=O Amb18791930 [0,0,1,0,1,0|1,0,0]=3 1662 B10R0.83 CCCCCC(N)C(=O)OC Amb18792090 [0,0,1,0,1,0|2,0,0]=4 1663 B10R0.83 CCCCCC(N)C(=O)OC Amb20622672 [0,0,1,0,1,0|2,0,0]=4 1664 B10R0.83 CCCCCC(O)C(=O)OC Amb18183408 [0,0,1,0,1,0|2,0,0]=4 1665 B10R1.16 C=CCCC1CCC(=O)O1 Amb24617275 [1,0,0,0,1,0|0,0,2]=4 1666 B10R1.16 CCCCC1=CCC(=O)O1 Amb25213288 [1,0,0,0,1,0|0,0,2]=4 1667 B10R1.16 CCCCC1=NCC(=O)O1 Amb25253303 [1,0,0,0,1,0|1,0,1]=4 1668 B10R1.16 CCCCC1CC(=O)CC1 Amb25778036 [1,0,0,0,1,0|1,0,0]=3 1669 B10R1.16 CCCCC1CCC(=O)N1 Amb17940085 [1,0,0,0,1,0|1,0,0]=3 1670 B10R1.16 CCCCC1CCC(=S)N1 Amb17673622 [1,0,0,0,1,0|1,1,0]=4 1671 B10R1.16 CCCCC1CNC(=O)S1 Amb25695530 [1,0,0,0,1,0|1,1,0]=4 1672 B10R1.16 CCCCC1COC(=O)C1 Amb25212009 [1,0,0,0,1,0|2,0,0]=4 1673 B10R1.16 CCCCC1COC(=O)N1 Amb24482077 [1,0,0,0,1,0|2,0,0]=4 1674 B10R1.16 CCCCC=1CCC(=O)C1 Amb24438836 [1,0,0,0,1,0|1,0,1]=4 1675 B10R1.16 CCCC[C@@H]1CC(=O)CC1 Amb24614759 [1,0,0,0,1,0|1,0,0]=3 1676 B10R1.16 CCCC[C@@H]1CCC(O)O1 Amb25357359 [1,0,0,0,1,0|0,0,2]=4 1677 B10R1.16 CCCC[C@@H]1COC(=O)N1 Amb22225366 [1,0,0,0,1,0|2,0,0]=4 1678 B10R1.16 CCCC[C@H]1CC(=O)CC1 Amb24380749 [1,0,0,0,1,0|1,0,0]=3 1679 B10R1.16 CCCC[C@H]1CNC(=O)C1 Amb24384050 [1,0,0,0,1,0|2,0,0]=4 1680 B10R1.16 CCCC[C@H]1COC(=O)N1 Amb22226709 [1,0,0,0,1,0|2,0,0]=4 1681 B10R1.16 CCCSC1CC(=O)CC1 Amb25032463 [1,0,0,0,1,0|2,0,0]=4 1682 B10R1.16 CNCCC1CCC(=O)N1 Amb25174301 [1,0,0,0,1,0|2,0,0]=4 1683 B10R1.16 CSCCC1CC(=O)CC1 Amb25729865 [1,0,0,0,1,0|2,0,0]=4 1684 B10R1.16 CSCCC1CCC(=O)N1 Amb25727823 [1,0,0,0,1,0|2,0,0]=4 1685 B10R1.16 CSCC[C@H]1CCC(=O)N1 Amb24535995 [1,0,0,0,1,0|2,0,0]=4 1686 B10R1.16 NCCCC1COC(=O)O1 Amb25124005 [1,0,0,0,1,0|2,0,0]=4 1687 B10R1.16 O=C1CCC(CCCCl)O1 Amb25709565 [1,0,0,0,1,0|1,0,0]=3 1688 B10R1.16 O=CCCC1CCC(=O)O1 Amb18643847 [1,0,0,0,1,0|1,0,1]=4 1689 B10R1.16 OCCCC1CC(=O)CC1 Amb25027935 [1,0,0,0,1,0|2,0,0]=4 1690 B10R1.16 OCCC[C@@H]1CCC(=O)O1 Amb24352318 [1,0,0,0,1,0|1,0,0]=3 1691 B10R1.29 C#CCCC1CCCC1=O Amb24477934 [1,0,0,0,1,0|0,0,2]=4 1692 B10R1.29 C=C1CCCC1CCCBr Amb24373497 [1,0,0,0,1,0|2,0,0]=4 1693 B10R1.29 C=C1CCCC1CCCO Amb25802774 [1,0,0,0,1,0|2,0,0]=4 1694 B10R1.29 CCCCC1=CCCC1=O Amb24361977 [1,0,0,0,1,0|0,0,2]=4 1695 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,0,1,0|0,0,0]=2 1696 B10R1.29 CCCCC1CCCC1Br Amb25107026 [1,0,0,0,1,0|1,0,1]=4 1697 B10R1.29 CCCCC1CCCC1Cl Amb18800489 [1,0,0,0,1,0|1,0,1]=4 1698 B10R1.29 CCCCC1CCCC1N Amb18977599 [1,0,0,0,1,0|1,0,1]=4 1699 B10R1.29 CCCCC1CCNC1=O Amb24424969 [1,0,0,0,1,0|1,0,0]=3 1700 B10R1.29 CCCNC1CCSC1=O Amb24693940 [1,0,0,0,1,0|2,0,0]=4 1701 B10R1.29 CCOCC1CCCC1=O Amb24431926 [1,0,0,0,1,0|1,0,0]=3 1702 B10R1.29 CNCCC1CCNC1=O Amb25309718 [1,0,0,0,1,0|2,0,0]=4 1703 B10R1.29 CNCCN1CCCC1=O Amb18292044 [1,0,0,0,1,0|2,0,0]=4 1704 B10R1.29 CNCCN1CCCC1=O Amb19515123 [1,0,0,0,1,0|2,0,0]=4 1705 B10R1.29 COCCC1CCNC1=O Amb25824666 [1,0,0,0,1,0|2,0,0]=4 1706 B10R1.29 COCCC1CCOC1=O Amb23538244 [1,0,0,0,1,0|2,0,0]=4 1707 B10R1.29 COCCC1CSCC1=O Amb24479282 [1,0,0,0,1,0|2,0,0]=4 1708 B10R1.29 COCCN1CCCC1=O Amb20621492 [1,0,0,0,1,0|2,0,0]=4 1709 B10R1.29 COCOC1CCCC1=O Amb25319346 [1,0,0,0,1,0|2,0,0]=4 1710 B10R1.29 CSCCC1CCNC1=O Amb24525426 [1,0,0,0,1,0|2,0,0]=4 1711 B10R1.29 CSCC[C@@H]1NCCC1=O Amb18830317 [1,0,0,0,1,0|2,0,0]=4 1712 B10R1.29 CSCOC1CCCC1=O Amb25236984 [1,0,0,0,1,0|2,0,0]=4 1713 B10R1.29 ClCCCN1CCCC1=O Amb1141152 [1,0,0,0,1,0|2,0,0]=4 1714 B10R1.29 NCCCC1CCCC1=O Amb18251234 [1,0,0,0,1,0|1,0,0]=3 1715 B10R1.29 O=C1CCCC1CCCBr Amb25327400 [1,0,0,0,1,0|1,0,0]=3 1716 B10R1.29 O=C1CCCC1CCCCl Amb24480519 [1,0,0,0,1,0|1,0,0]=3 1717 B10R1.29 O=C1OCCC1CCCCl Amb24524522 [1,0,0,0,1,0|2,0,0]=4 1718 B10R1.29 O=CCCC1CCCC1=O Amb18124594 [1,0,0,0,1,0|1,0,1]=4 1719 B10R1.21 BrCCCCC1CCC=C1 Amb25691256 [1,0,0,0,1,0|1,0,1]=4 1720 B10R1.21 BrCCCCC1CCCC1 Amb25317874 [1,0,0,0,1,0|1,0,1]=4 1721 B10R1.21 BrCCCCC1CCCO1 Amb25839950 [1,0,0,0,1,0|1,0,0]=3 1722 B10R1.21 BrCCCCC1OCCO1 Amb22494280 [1,0,0,0,1,0|2,0,0]=4 1723 B10R1.21 BrCCCCC=1CCCC1 Amb25724789 [1,0,0,0,1,0|1,0,1]=4 1724 B10R1.21 BrCCSCC1CCCO1 Amb24685161 [1,0,0,0,1,0|2,0,0]=4 1725 B10R1.21 C=CCCCC1CCCO1 Amb25045178 [1,0,0,0,1,0|0,0,2]=4 1726 B10R1.21 CCCCCC1CCCC1 Amb22731546 [1,0,0,0,1,0|0,0,1]=3 1727 B10R1.21 CCCCCC1CCCN1 Amb20669608 [1,0,0,0,1,0|1,0,0]=3 1728 B10R1.21 CCCCCC1CNCC1 Amb25726522 [1,0,0,0,1,0|1,0,1]=4 1729 B10R1.21 CCCCCC1NCCS1 Amb18792202 [1,0,0,0,1,0|1,1,0]=4 1730 B10R1.21 CCCCCC1OCCS1 Amb25830599 [1,0,0,0,1,0|1,0,0]=3 1731 B10R1.21 CCCCC[C@@H]1CCCN1 Amb25361855 [1,0,0,0,1,0|1,0,0]=3 1732 B10R1.21 CCCCNC1CCCC1 Amb2111931 [1,0,0,0,1,0|1,0,1]=4 1733 B10R1.21 CCCCOB1CCCO1 Amb21964686 [1,0,0,0,1,0|2,0,0]=4 1734 B10R1.21 CCCNCC1CCCN1 Amb17231950 [1,0,0,0,1,0|2,0,0]=4 1735 B10R1.21 CCCOC[C@@H]1CCCN1 Amb17083725 [1,0,0,0,1,0|2,0,0]=4 1736 B10R1.21 CCCOC[C@H]1CCCN1 Amb25075719 [1,0,0,0,1,0|2,0,0]=4 1737 B10R1.21 CCCSCC1CCCN1 Amb18797754 [1,0,0,0,1,0|2,0,0]=4 1738 B10R1.21 CCCSCC1CCCO1 Amb25717835 [1,0,0,0,1,0|1,0,0]=3 1739 B10R1.21 CCNCCC1CCC=C1 Amb25777954 [1,0,0,0,1,0|1,0,1]=4 1740 B10R1.21 CCNCCC1CCCC1 Amb18303846 [1,0,0,0,1,0|1,0,1]=4 1741 B10R1.21 CCNCCC1CCCN1 Amb18306998 [1,0,0,0,1,0|2,0,0]=4 1742 B10R1.21 CCNCCC1CCCO1 Amb18311347 [1,0,0,0,1,0|1,0,0]=3 1743 B10R1.21 CCNCCC1OCCO1 Amb24607818 [1,0,0,0,1,0|2,0,0]=4 1744 B10R1.21 CCSCCC1CCCC1 Amb24752116 [1,0,0,0,1,0|1,0,1]=4 1745 B10R1.21 CCSCCC1CCCN1 Amb25261952 [1,0,0,0,1,0|2,0,0]=4 1746 B10R1.21 CCSCCC1CCCO1 Amb24625264 [1,0,0,0,1,0|1,0,0]=3 1747 B10R1.21 CCSCCN1CCCO1 Amb24421537 [1,0,0,0,1,0|2,0,0]=4 1748 B10R1.21 CNCCCC1CCCC1 Amb22586912 [1,0,0,0,1,0|1,0,1]=4 1749 B10R1.21 CNCCCC1CCCO1 Amb10607820 [1,0,0,0,1,0|1,0,0]=3 1750 B10R1.21 COCCCC1CCCN1 Amb19023186 [1,0,0,0,1,0|2,0,0]=4 1751 B10R1.21 COCCCN1CCCO1 Amb25852130 [1,0,0,0,1,0|2,0,0]=4 1752 B10R1.21 COCCSC1CCCO1 Amb24482768 [1,0,0,0,1,0|2,0,0]=4 1753 B10R1.21 COCSCC1CCCO1 Amb24474841 [1,0,0,0,1,0|2,0,0]=4 1754 B10R1.21 CSCCCC1CCCN1 Amb18311378 [1,0,0,0,1,0|2,0,0]=4 1755 B10R1.21 CSCCCN1CCCO1 Amb25169427 [1,0,0,0,1,0|2,0,0]=4 1756 B10R1.21 ClCCCCC1CCCC1 Amb24480526 [1,0,0,0,1,0|1,0,1]=4 1757 B10R1.21 ClCCCCC1CCCO1 Amb25318134 [1,0,0,0,1,0|1,0,0]=3 1758 B10R1.21 ClCCCCC1OCCO1 Amb22228112 [1,0,0,0,1,0|2,0,0]=4 1759 B10R1.21 ClCCCSC1CCCO1 Amb25238226 [1,0,0,0,1,0|2,0,0]=4 1760 B10R1.21 ClCCNCC1CCCO1 Amb17334589 [1,0,0,0,1,0|2,0,0]=4 1761 B10R1.21 ICCNCC1CCCO1 Amb25291379 [1,0,0,0,1,0|2,0,0]=4 1762 B10R1.21 N#CCCCC1CCCO1 Amb24395322 [1,0,0,0,1,0|1,0,1]=4 1763 B10R1.21 NCCCCC1CCCC1 Amb17569962 [1,0,0,0,1,0|1,0,1]=4 1764 B10R1.21 NCCCCC1CCCO1 Amb10607819 [1,0,0,0,1,0|1,0,0]=3 1765 B10R1.21 NCCCCC1CCCO1 Amb22587022 [1,0,0,0,1,0|1,0,0]=3 1766 B10R1.21 NCCCCC1OCCO1 Amb24639710 [1,0,0,0,1,0|2,0,0]=4 1767 B10R1.21 NCCNCC1CCCO1 Amb17091022 [1,0,0,0,1,0|2,0,0]=4 1768 B10R1.21 NCCNC[C@H]1CCCO1 Amb25147644 [1,0,0,0,1,0|2,0,0]=4 1769 B10R1.21 NOCCCC1CCCO1 Amb25695565 [1,0,0,0,1,0|2,0,0]=4 1770 B10R1.21 O=CCCCC1CCCO1 Amb25714393 [1,0,0,0,1,0|1,0,1]=4 1771 B10R1.21 OCCCCC1CCCC1 Amb25228243 [1,0,0,0,1,0|1,0,1]=4 1772 B10R1.21 OCCCCC1CCCN1 Amb24656675 [1,0,0,0,1,0|2,0,0]=4 1773 B10R1.21 OCCCCC1CCCO1 Amb25321554 [1,0,0,0,1,0|1,0,0]=3 1774 B10R1.21 OCCCCC1OCCO1 Amb25773798 [1,0,0,0,1,0|2,0,0]=4 1775 B10R1.21 OCCCC[C@@H]1CCCO1 Amb24576933 [1,0,0,0,1,0|1,0,0]=3 1776 B10R1.21 OCCNC[C@@H]1CCCO1 Amb25317556 [1,0,0,0,1,0|2,0,0]=4 1777 B10R1.21 OCCNC[C@H]1CCCO1 Amb25295554 [1,0,0,0,1,0|2,0,0]=4 1778 B10R1.21 OCCOCC1CCCO1 Amb19960018 [1,0,0,0,1,0|2,0,0]=4 1779 B10R1.21 SCCNCC1CCCO1 Amb25255689 [1,0,0,0,1,0|2,0,0]=4 1780 B10R1.21 SCCSCC1CCCO1 Amb24429924 [1,0,0,0,1,0|2,0,0]=4 1781 B10R1.24 CCCCCC1CC(=O)N1 Amb25147264 [0,0,0,0,2,0|1,0,0]=3 1782 B10R1.24 CCCCOC1CC(=O)C1 Amb25350122 [0,0,0,0,2,0|2,0,0]=4 1783 B10R1.24 CCCCSC1CC(=O)N1 Amb25142021 [0,0,0,0,2,0|2,0,0]=4 1784 B10R1.37 CCCCCC1CCC1=O Amb24631207 [0,0,0,0,2,0|0,0,0]=2 1785 B10R1.37 CCCCCC1CCC1N Amb25302426 [0,0,0,0,2,0|1,0,1]=4 1786 B10R1.37 CCC\C=C\C1CCC1=O Amb24449023 [0,0,0,0,2,0|0,0,2]=4