0 B12R1.28 C#CCCCC1CCCC(=O)C1 Amb28126616 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.28 CC#CCCN1CCCC(=O)C1 Amb27593106 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.28 CCCC#CC1=CC(=O)CCC1 Amb27431703 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.28 CCCCCN1CCCC(N)C1 Amb17470487 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.28 CCCCNC1=CC(=O)CCC1 Amb25258387 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.28 CCCCNC1CCCC(C)C1 Amb33527406 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.28 CCCNCC1CCCC(=O)N1 Amb32721825 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.28 CCCOCC1CCNC(=O)C1 Amb32654949 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.28 CC\C=C\CC1CCCC(=O)O1 Amb25227687 [0,0,0,0,0,0|0,0,2]=2 10 B12R1.28 CO\C=C/CC1CCCC(=O)C1 Amb27859430 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.28 C\C=C/CCC1=CC(=O)CCC1 Amb27177577 [0,0,0,0,0,0|1,0,3]=4 12 B12R1.28 O=C1C=C(OCCCBr)CCC1 Amb33620506 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.28 O=C1CCCC(\C=C\CCCl)C1 Amb27191554 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.24 C=C1CCCN(CCCC)C1 Amb27176811 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.24 C=CCC[C@H]1CCCC(=O)C1 Amb27802471 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.24 CC#CCC1CCCC(=O)C1 Amb27222722 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.24 CCCCC1=CC(=O)CCC1 Amb17593800 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.24 CCCCC1=CC(=O)CCS1 Amb27750255 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.24 CCCCC1=CC(=O)NCC1 Amb27166484 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.24 CCCCC1CC=CC(=O)N1 Amb27483840 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.24 CCCCC1CCCC(Br)C1 Amb27979044 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.24 CCCCC1CCCC(C)N1 Amb27194619 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.24 CCCCC1CCSC(N)=N1 Amb27164252 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.24 CCCCC1CNCC(C)O1 Amb27870532 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.24 CCCCN1CCCC(=O)C1 Amb28322509 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.24 CCCC[C@@H]1CCCC(O)O1 Amb27456731 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.24 CCCC[C@@H]1CCC[C@@H](O)C1 Amb27251503 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.24 CCCC[C@@H]1CCC[C@H](C)N1 Amb27200235 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.24 CCCC[C@@H]1CCC[C@H](O)C1 Amb27970937 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.24 CCCC[C@H]1C=CCC(=O)N1 Amb27176608 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.24 CCCC[C@H]1CCC[C@H](O)C1 Amb27652900 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.24 CCCC[C@H]1CCSC(N)=N1 Amb27642554 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.24 CCCNC1=CC(=O)CCC1 Amb4453933 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.24 CCNCC1CCCC(=O)N1 Amb32721818 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.24 CCOCC1CCCC(=O)C1 Amb28073558 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.24 CCOCC1CCNC(=O)C1 Amb32654952 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.24 CCSCC1CCCC(=O)C1 Amb35699380 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.24 CNCCC1CCCC(=O)N1 Amb27466194 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.24 CSCCC1CNCC(=O)N1 Amb27975683 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.24 N#CCCC1CCCC(=O)C1 Amb18125303 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.24 NCCCC1CCCC(=O)C1 Amb27272657 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.24 NCCCC1CCCC(=O)N1 Amb18200144 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.24 NCCCC1CCNC(=O)C1 Amb25697471 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.24 NCCCC1CCNC(=O)C1 Amb33734215 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.24 O=C1C=C(CCCBr)CCC1 Amb27839726 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.24 O=C1C=CC[C@H](CCCO)O1 Amb27775902 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.24 O=C1CCCC(CCCO)N1 Amb18199970 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.24 O=C1CCCC(NCCO)C1 Amb27206993 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.24 O=C1CCCC(SCCO)C1 Amb27238717 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.24 O=C1CCCN(CCCO)C1 Amb28324812 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.24 [N-]=[N+]=NCC1CCCC(=O)O1 Amb27839711 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.28 BrCCCOC1CCCCO1 Amb2779897 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.28 BrCCOCC1CCCCO1 Amb9717598 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.28 CCCCCC1CCCNC1 Amb22642855 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.28 CCCCCC1CCCNC1 Amb35745623 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.28 CCCCCC1CCNCC1 Amb3933573 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.28 CCCCCC1CNCCN1 Amb26659400 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.28 CCCCCC1COCCN1 Amb27673037 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.28 CCCCCC1NCCCS1 Amb27271116 [1,0,0,0,0,0|1,1,1]=4 66 B11R1.28 CCCCCN1CC=CCC1 Amb28352146 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.28 CCCCCN1CCCCC1 Amb10573561 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.28 CCCCCN1CCCCN1 Amb27671793 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.28 CCCCNC1CCCCC1 Amb33548377 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.28 CCCCNC1CCCCC1 Amb4313711 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.28 CCCCNC1CCCSC1 Amb18315275 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,0,0,0|1,0,1]=3 73 B11R1.28 CCCCOC1CCCNC1 Amb6701469 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.28 CCCCO[C@H]1CCCNC1 Amb27492036 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.28 CCCCSC1CCCCC1 Amb17672783 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.28 CCCCSC1CCCNC1 Amb18803882 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.28 CCCNCC1CC=CCC1 Amb6719089 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.28 CCCNCC1CCC=CO1 Amb18183022 [1,0,0,0,0,0|1,0,1]=3 79 B11R1.28 CCCNCC1CCCCC1 Amb1042518 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.28 CCCNCC1CCCCC1 Amb2119490 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,0,0,0|1,0,1]=3 82 B11R1.28 CCCNCC1CCCNC1 Amb17232186 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.28 CCCNCC1CCCOC1 Amb19008394 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.28 CCCNCC1CSCCO1 Amb27987904 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.28 CCCOCC1CCCCN1 Amb18797153 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.28 CCCOCC1CCCNC1 Amb18797152 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.28 CCCOCC1CNCCO1 Amb27266713 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.28 CCCSCC1CCCCN1 Amb18803880 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.28 CCCSCC1CCCNC1 Amb18183806 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.28 CCCSCC1CNCCO1 Amb27266710 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.28 CCNCCC1CC=CCC1 Amb32753680 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.28 CCNCCC1CCCCC1 Amb8853691 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,0,0,0|1,0,1]=3 94 B11R1.28 CCNCCC1CCCNC1 Amb18313379 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.28 CCNCCC1CCCOC1 Amb22411363 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.28 CCNCCC1CNCCO1 Amb27271424 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.28 CCOCCC1CCCCN1 Amb17773408 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.28 CCOCCC1CCCNC1 Amb19020994 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.28 CCONCC1CCCCO1 Amb27987584 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.28 CCSCCC1CCCCN1 Amb17503513 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.28 CCSCCC1CCCCN1 Amb35745722 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.28 CCSCCC1CCCNC1 Amb18308556 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.28 CCSCCN1CCCCO1 Amb27987452 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.28 CNCCCC1CCCCC1 Amb8853671 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.28 CNCCCC1CCCCN1 Amb18799769 [1,0,0,0,0,0|2,0,1]=4 106 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,0,0,0|1,0,1]=3 107 B11R1.28 CNCCCC1CCCNC1 Amb18182155 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.28 CNCCCC1CCCOC1 Amb27989561 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.28 CNCCCC1CNCCO1 Amb27674414 [1,0,0,0,0,0|2,0,1]=4 110 B11R1.28 CNCCSC1C=CCCC1 Amb27674013 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.28 COCCCC1CCCCN1 Amb4304397 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.28 COCCCC1CCCNC1 Amb4304398 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.28 COCCCC1CNCCO1 Amb27989406 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.28 CSCCCC1CCCCN1 Amb27271775 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.28 CSCCCC1CCCNC1 Amb26076166 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.28 CSCCOC1CCCCO1 Amb27988038 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.28 ClCCCCC1CCCCC1 Amb26076997 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.28 ClCCCSC1CCCCO1 Amb27990061 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.28 ClCCNCC1CCCCO1 Amb27670548 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.28 ClCCSCC1CCCCO1 Amb27492348 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.28 FCCCNC1C=CCCC1 Amb27987678 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.28 FCCNCC1CCC=CO1 Amb27987673 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 ICCCCC1CCCCC1 Amb32411024 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.28 ICCCOC1CCCCO1 Amb24761942 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.28 N#CCCCC1CCCCO1 Amb35647727 [1,0,0,0,0,0|1,0,2]=4 128 B11R1.28 NCCCCC1CC=CCC1 Amb33375582 [1,0,0,0,0,0|2,0,1]=4 129 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.28 NCCCCC1CCCCN1 Amb27272282 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,0,0,0|1,0,1]=3 132 B11R1.28 NCCCCC1CCCOC1 Amb26653352 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.28 NCCCCC1CCCSC1 Amb26076936 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.28 NCCCOC1CCCCO1 Amb28388105 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.28 NCCNCC1CCCCO1 Amb19014581 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.28 NNCCCC1CCCCO1 Amb27266779 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,0,0,0|1,0,2]=4 138 B11R1.28 OCCCCC1C=CCCO1 Amb27989629 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.28 OCCCCC1CCCCC1 Amb3939108 [1,0,0,0,0,0|2,0,1]=4 140 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,0,0,0|1,0,1]=3 142 B11R1.28 OCCCCC1CCCNC1 Amb22749319 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.28 OCCCCC1OCCCO1 Amb28080065 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.28 OCCCNC1C=CCCC1 Amb27271277 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.28 OCCOCC1CCCCO1 Amb18800345 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.28 SCCCCC1CCCCC1 Amb33422122 [1,0,0,0,0,0|2,0,1]=4 147 B11R1.28 SCCCOC1CCCCO1 Amb27990336 [1,0,0,0,0,0|2,0,1]=4 148 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.6 CCCCCNC1CCCC(C)C1 Amb4304139 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.6 CCCCNCC1CCCC(=O)N1 Amb32721277 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.6 CCCCOCC1CCNC(=O)C1 Amb32654950 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.6 N#CCCCCC1CCCC(=O)C1 Amb6302009 [0,1,0,0,0,0|1,0,1]=3 153 B13R1.15 CCC(C)NCC1CCCC(=O)N1 Amb32721819 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.18 CCCNC(=O)C1CCCC(=O)C1 Amb25347727 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.18 CCCNC(=O)C1CCCC(=O)N1 Amb27451822 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.18 CCCNC(=O)[C@H]1CCCC(=O)N1 Amb28064782 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.20 CCNC(=O)CC1CCCC(=O)N1 Amb27651267 [0,1,0,0,0,0|2,0,1]=4 158 B13R1.20 CCOC(=O)CC1CCCC(=O)C1 Amb4477312 [0,1,0,0,0,0|2,0,1]=4 159 B13R1.55 CCCCCC1CC(=O)C=C(C)C1 Amb20621710 [0,1,0,0,0,0|1,0,2]=4 160 B13R1.55 CCCCCC1CC(=O)C=C(O)C1 Amb21962886 [0,1,0,0,0,0|1,0,2]=4 161 B13R1.55 C\C=C\CCC1CC(O)CC(=O)O1 Amb27179772 [0,1,0,0,0,0|0,0,2]=3 162 B13R1.55 C\C=C\CC[C@H]1C[C@H](O)CC(=O)O1 Amb27208246 [0,1,0,0,0,0|0,0,2]=3 163 B13R1.55 [N-]=[N+]=NCCC1CC(O)CC(=O)O1 Amb27793073 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.55 [N-]=[N+]=NCC[C@@H]1C[C@@H](O)CC(=O)O1 Amb27635841 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.149 CC(C)=CCCC1CCCC(=O)C1 Amb35737940 [0,1,0,0,0,0|1,0,2]=4 166 B13R1.149 CC(C)CNCC1CCCC(=O)N1 Amb32721823 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.149 CC(C)COCC1CCNC(=O)C1 Amb32654954 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.149 CC(C)C\C=C\C1CCCC(=O)C1 Amb17594632 [0,1,0,0,0,0|1,0,2]=4 169 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 Amb33465486 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.656 C#CCCCC1CC(=O)CCC1C Amb32865395 [0,1,0,0,0,0|1,0,2]=4 171 B13R1.656 CC#CCCC1CC(=O)CCC1C Amb32865269 [0,1,0,0,0,0|1,0,2]=4 172 B13R1.3071 CCCCCC1CNCC(C)(C)O1 Amb32430496 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.8936 CCCCCC1(C)CNCC(C)O1 Amb32430487 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [0,0,1,0,0,0|2,0,0]=3 175 B11R0.4 CCCC(=O)OCCCN=C=O Amb32659958 [0,0,1,0,0,0|2,0,1]=4 176 B11R0.4 CCCC(=O)OCCOCCCl Amb9787605 [0,0,1,0,0,0|2,0,0]=3 177 B11R0.4 CCCCCC#CC(=O)OCC Amb2721498 [0,0,1,0,0,0|2,0,1]=4 178 B11R0.4 CCCCCCCC(=O)OCC Amb6608755 [0,0,1,0,0,0|2,0,0]=3 179 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [0,0,1,0,0,0|1,0,2]=4 180 B11R0.4 CCCCCCNC(=O)CC#N Amb1229979 [0,0,1,0,0,0|2,0,1]=4 181 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [0,0,1,0,0,0|1,0,0]=2 182 B11R0.4 CCCCCCNC(=O)CCCl Amb8859151 [0,0,1,0,0,0|2,0,0]=3 183 B11R0.4 CCCCCCNC(=O)CNC Amb9258707 [0,0,1,0,0,0|2,0,0]=3 184 B11R0.4 CCCCCCOC(=O)CC#N Amb17210535 [0,0,1,0,0,0|1,0,1]=3 185 B11R0.4 CCCCCCOC(=O)OCCl Amb32413740 [0,0,1,0,0,0|2,0,0]=3 186 B11R0.4 CCCCC\C=C\C(=O)OCC Amb33986022 [0,0,1,0,0,0|2,0,1]=4 187 B11R0.4 CCCCNCCC(=O)OCC Amb9024194 [0,0,1,0,0,0|3,0,0]=4 188 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [0,0,1,0,0,0|3,0,0]=4 189 B11R0.4 CCCOCCOC(=O)CC#N Amb17210532 [0,0,1,0,0,0|2,0,1]=4 190 B11R0.4 CCCSCCNC(=O)CCBr Amb17328045 [0,0,1,0,0,0|3,0,0]=4 191 B11R0.4 CCCSCCNC(=O)CCCl Amb17332009 [0,0,1,0,0,0|3,0,0]=4 192 B11R0.4 CCNC(=O)NCCCCCO Amb13883049 [0,0,1,0,0,0|3,0,0]=4 193 B11R0.4 CCOC(=O)CCCCCCBr Amb2778976 [0,0,1,0,0,0|3,0,0]=4 194 B11R0.4 CCOC(=O)CCCCCCI Amb32410628 [0,0,1,0,0,0|3,0,0]=4 195 B11R0.4 CCOC(=O)CCCCCCN Amb7772452 [0,0,1,0,0,0|3,0,0]=4 196 B11R0.4 CCOC(=O)CCCCCCN Amb8396796 [0,0,1,0,0,0|3,0,0]=4 197 B11R0.4 CCOC(=O)CCCCCNC Amb32666565 [0,0,1,0,0,0|3,0,0]=4 198 B11R0.4 CCOC(=O)CCCCCNC Amb32666566 [0,0,1,0,0,0|3,0,0]=4 199 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [0,0,1,0,0,0|3,0,0]=4 200 B11R0.4 CCOC(=O)NCCCCCO Amb13883047 [0,0,1,0,0,0|3,0,0]=4 201 B11R0.4 CCOCCCNC(=O)CCBr Amb17329325 [0,0,1,0,0,0|3,0,0]=4 202 B11R0.4 CCOCCCNC(=O)CCCl Amb1141305 [0,0,1,0,0,0|3,0,0]=4 203 B11R0.4 CCOCCCNC(=O)CCN Amb1125128 [0,0,1,0,0,0|3,0,0]=4 204 B11R0.4 CCOCCCNC(=O)CNC Amb6274634 [0,0,1,0,0,0|3,0,0]=4 205 B11R0.4 CC\C=C/CCOC(=O)CCC Amb22002436 [0,0,1,0,0,0|0,0,2]=3 206 B11R0.4 COCC(=O)NCCCCCN Amb18103652 [0,0,1,0,0,0|3,0,0]=4 207 B11R0.4 COCCCCNC(=O)CCBr Amb17333024 [0,0,1,0,0,0|3,0,0]=4 208 B11R0.4 O=C(CCBr)NCCCCCO Amb17330350 [0,0,1,0,0,0|3,0,0]=4 209 B11R0.4 O=C(CCCl)NCCCCCO Amb17332133 [0,0,1,0,0,0|3,0,0]=4 210 B11R0.77 CCCC#CC(CC)NC(C)=O Amb28120028 [0,0,1,0,0,0|1,0,2]=4 211 B11R0.77 CCCCCC(CN)OC(C)C Amb33035001 [0,0,1,0,0,0|2,0,1]=4 212 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [0,0,1,0,0,0|2,0,1]=4 213 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [0,0,1,0,0,0|1,1,1]=4 214 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [0,0,1,0,0,0|0,0,2]=3 215 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [0,0,1,0,0,0|2,0,0]=3 216 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [0,0,1,0,0,0|2,0,0]=3 217 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [0,0,1,0,0,0|2,0,0]=3 218 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [0,0,1,0,0,0|0,0,2]=3 219 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [0,0,1,0,0,0|1,0,2]=4 220 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [0,0,1,0,0,0|2,0,1]=4 221 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [0,0,1,0,0,0|1,0,0]=2 222 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [0,0,1,0,0,0|0,0,0]=1 223 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [0,0,1,0,0,0|1,0,0]=2 224 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [0,0,1,0,0,0|2,0,1]=4 225 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [0,0,1,0,0,0|2,0,1]=4 226 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [0,0,1,0,0,0|1,0,0]=2 227 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [0,0,1,0,0,0|1,1,0]=3 228 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [0,0,1,0,0,0|2,0,0]=3 229 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [0,0,1,0,0,0|1,0,1]=3 230 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [0,0,1,0,0,0|2,0,0]=3 231 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [0,0,1,0,0,0|2,0,0]=3 232 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [0,0,1,0,0,0|2,1,0]=4 233 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [0,0,1,0,0,0|2,0,0]=3 234 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [0,0,1,0,0,0|2,0,0]=3 235 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [0,0,1,0,0,0|1,0,0]=2 236 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [0,0,1,0,0,0|1,0,0]=2 237 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [0,0,1,0,0,0|0,0,2]=3 238 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [0,0,1,0,0,0|1,0,0]=2 239 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [0,0,1,0,0,0|0,0,2]=3 240 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [0,0,1,0,0,0|2,0,0]=3 241 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [0,0,1,0,0,0|1,0,0]=2 242 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [0,0,1,0,0,0|0,0,2]=3 243 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [0,0,1,0,0,0|2,0,0]=3 244 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [0,0,1,0,0,0|2,0,0]=3 245 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [0,0,1,0,0,0|2,0,0]=3 246 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [0,0,1,0,0,0|2,0,0]=3 247 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [0,0,1,0,0,0|2,0,0]=3 248 B11R0.148 COCCOCCOCC(=O)O Amb3940728 [0,0,1,0,0,0|3,0,0]=4 249 B11R0.148 N#CCCCSCCCC(=O)O Amb17504253 [0,0,1,0,0,0|2,0,1]=4 250 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [0,0,1,0,0,0|2,0,0]=3 251 B11R0.148 NCCOCCOCCC(=O)O Amb18111401 [0,0,1,0,0,0|3,0,0]=4 252 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [0,0,1,0,0,0|1,0,0]=2 253 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [0,0,1,0,0,0|1,0,0]=2 254 B11R0.148 O=C(O)CCCCCCN=C=S Amb33471526 [0,0,1,0,0,0|2,0,1]=4 255 B11R0.148 O=C(O)CCOCCOCCBr Amb24057758 [0,0,1,0,0,0|3,0,0]=4 256 B11R0.148 O=C(O)CCOCCOCCO Amb24057823 [0,0,1,0,0,0|3,0,0]=4 257 B11R0.148 O=C=NCCCCCCC(=O)O Amb33471297 [0,0,1,0,0,0|2,0,1]=4 258 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O Amb22407009 [0,0,1,0,0,0|3,0,0]=4 259 B11R0.154 CCCCCC(C)NC(=O)CCl Amb1156397 [0,0,1,0,0,0|2,0,0]=3 260 B11R0.154 CCCCCC(C)OC(=O)CCl Amb21964729 [0,0,1,0,0,0|1,0,0]=2 261 B11R0.154 CCCCCC(N)CC(=O)OC Amb33254856 [0,0,1,0,0,0|3,0,0]=4 262 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [0,0,1,0,0,0|3,0,0]=4 263 B11R0.154 CCCCC[C@@H](O)CC(=O)OC Amb31308366 [0,0,1,0,0,0|3,0,0]=4 264 B11R0.154 CCCCC[C@H](O)CC(=O)OC Amb33872469 [0,0,1,0,0,0|3,0,0]=4 265 B11R0.154 CCCCC\C(C)=C\C(=O)OC Amb33472157 [0,0,1,0,0,0|2,0,1]=4 266 B11R0.154 CCCCNC(C)CC(=O)OC Amb9398495 [0,0,1,0,0,0|3,0,0]=4 267 B11R0.154 CCCNCC(C)OC(=O)CC Amb18265945 [0,0,1,0,0,0|1,0,0]=2 268 B13R2.13 BrC1CCCC(C2CCCC2)C1 Amb27589154 [0,0,0,1,0,0|2,0,1]=4 269 B13R2.13 CC1CNCC(C2CCCC2)O1 Amb27193076 [0,0,0,1,0,0|2,0,1]=4 270 B13R2.13 ClC1CCCC(C2CCCC2)C1 Amb27458048 [0,0,0,1,0,0|2,0,1]=4 271 B13R2.13 NC1=NCCC(C2CCCC2)N1 Amb27615535 [0,0,0,1,0,0|3,0,0]=4 272 B13R2.13 NC1CCCC(C2CCCC2)C1 Amb27606245 [0,0,0,1,0,0|2,0,1]=4 273 B13R2.13 O=C1C=C(C2CCCC2)CCC1 Amb28322923 [0,0,0,1,0,0|1,0,1]=3 274 B13R2.13 O=C1C=C(C2CCCO2)CCC1 Amb27828907 [0,0,0,1,0,0|2,0,1]=4 275 B13R2.13 O=C1C=C(N2CCCC2)CCC1 Amb28324249 [0,0,0,1,0,0|2,0,1]=4 276 B13R2.13 O=C1CC(C2CCCC2)CCN1 Amb27618311 [0,0,0,1,0,0|2,0,0]=3 277 B13R2.13 O=C1CC(C2CCCC2)CCO1 Amb27438645 [0,0,0,1,0,0|2,0,0]=3 278 B13R2.13 O=C1CCCC(C2CCCC2)C1 Amb27494299 [0,0,0,1,0,0|1,0,0]=2 279 B13R2.13 O=C1CCCC(C2CCOC2)C1 Amb25152573 [0,0,0,1,0,0|2,0,0]=3 280 B13R2.13 O=C1CCCC(C2OCCO2)C1 Amb28460741 [0,0,0,1,0,0|3,0,0]=4 281 B13R2.13 O=C1CCCN(C2CCCC2)C1 Amb10603078 [0,0,0,1,0,0|2,0,0]=3 282 B13R2.13 O=C1CCCN(C2CCSC2)C1 Amb35696874 [0,0,0,1,0,0|3,0,0]=4 283 B13R2.13 O=C1CCOC(C2CCCC2)C1 Amb28146616 [0,0,0,1,0,0|2,0,0]=3 284 B13R2.13 O=C1CNCC(C2CCCC2)N1 Amb24761468 [0,0,0,1,0,0|2,0,0]=3 285 B13R2.13 O=C1COCC(C2CCCO2)N1 Amb27212839 [0,0,0,1,0,0|3,0,0]=4 286 B13R2.13 O=S1CCNC(C2CCCC2)C1 Amb27883679 [0,0,0,1,0,0|3,0,0]=4 287 B13R2.69 CCCC1CC2CCCC(C1)N2 Amb27949425 [0,0,0,1,0,0|2,0,1]=4 288 B13R2.136 CO[C@@H]1C[C@@H]1C2CCCC(=O)C2 Amb27781993 [0,0,0,1,0,0|2,0,0]=3 289 B13R2.136 O=C1CCC[C@@H]([C@@H]2C[C@H]2CO)O1 Amb27651720 [0,0,0,1,0,0|1,0,0]=2 290 B13R2.136 O=C1CCC[C@H]([C@@H]2C[C@H]2CO)O1 Amb28069649 [0,0,0,1,0,0|1,0,0]=2 291 B13R2.136 O=C[C@@H]1C[C@H]1C2CCCC(=O)O2 Amb27629666 [0,0,0,1,0,0|1,0,1]=3 292 B13R2.153 C=C1CCCN(CC2CC2C)C1 Amb27414926 [0,0,0,1,0,0|3,0,0]=4 293 B13R2.153 CC1CC1CN2CCNC(=O)C2 Amb27834815 [0,0,0,1,0,0|3,0,0]=4 294 B13R2.270 CCOC1CC2CC(=O)CC1N2 Amb28240441 [0,0,0,1,0,0|3,0,0]=4 295 B13R2.270 O=C1C[C@H]2C[C@H](C[C@@H]2CCO)O1 Amb27443018 [0,0,0,1,0,0|1,0,0]=2 296 B13R2.270 OCCC1CC2C=C(Cl)CC1C2 Amb27396905 [0,0,0,1,0,0|3,0,0]=4 297 B13R2.270 OCC[C@H]1C[C@H]2C=C(Cl)C[C@@H]1C2 Amb28435737 [0,0,0,1,0,0|3,0,0]=4 298 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,1,0,0|1,0,0]=2 299 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,1,0,0|1,0,0]=2 300 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,1,0,0|1,0,0]=2 301 B13R2.596 CCC1CNC2CC(=O)CC1C2 Amb27967263 [0,0,0,1,0,0|2,0,0]=3 302 B13R2.2091 O=C1CCCC2CCC(CO)N12 Amb28283481 [0,0,0,1,0,0|2,0,0]=3 303 B13R2.2409 O=C1CN2CCC1C(CCO)C2 Amb27227094 [0,0,0,1,0,0|3,0,0]=4 304 B13R2.3021 O=C1CCCC(CN2CCC2)C1 Amb30013872 [0,0,0,1,0,0|2,0,0]=3 305 B13R2.3021 O=C1CN(CC2CCC2)CCN1 Amb27977214 [0,0,0,1,0,0|3,0,0]=4 306 B13R2.3058 CCCCN1C[C@H]2CCC[C@@H]1O2 Amb27213976 [0,0,0,1,0,0|2,0,1]=4 307 B13R2.3473 CC1CCCC12CCCC(=O)C2 Amb27854953 [0,0,0,1,0,0|1,0,0]=2 308 B13R2.3473 CC1CCCC12COCC(=O)N2 Amb28200135 [0,0,0,1,0,0|2,0,0]=3 309 B13R2.3473 CC1CNCC2(CCCC2C)O1 Amb27864865 [0,0,0,1,0,0|2,0,1]=4 310 B13R2.3473 CC1COCC12CC(=O)CCO2 Amb35616361 [0,0,0,1,0,0|3,0,0]=4 311 B13R2.3473 CC1COCC12COCC(=O)N2 Amb35646829 [0,0,0,1,0,0|3,0,0]=4 312 B13R2.3473 CC1OCCC12CC(=O)CCO2 Amb27483867 [0,0,0,1,0,0|3,0,0]=4 313 B13R2.3473 C[C@H]1CCC[C@@]12CCCC(=O)C2 Amb27211892 [0,0,0,1,0,0|1,0,0]=2 314 B13R2.3473 O=C1CCCC2(CCCC2=O)C1 Amb4011316 [0,0,0,1,0,0|2,0,1]=4 315 B13R2.3473 O=C1CCC[C@@]2(CCC[C@@H]2Cl)C1 Amb28052053 [0,0,0,1,0,0|2,0,0]=3 316 B13R2.3473 O=C1CCC[C@@]2(CCC[C@@H]2O)C1 Amb27267055 [0,0,0,1,0,0|2,0,0]=3 317 B13R2.3473 O=C1CCC[C@]2(CCCC2=O)C1 Amb27177605 [0,0,0,1,0,0|2,0,1]=4 318 B13R2.3477 N[C@H]1CCC[C@@H]2CC[C@H]1C(=O)O2 Amb27467853 [0,0,0,1,0,0|1,0,0]=2 319 B13R2.3477 O=C1CC2CCC[C@@H](Cl)C1CC2 Amb27477815 [0,0,0,1,0,0|2,0,0]=3 320 B13R2.3729 N[C@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27845539 [0,0,0,1,0,0|2,0,1]=4 321 B13R2.3729 O=C1C=C2CCCCCN2CC1 Amb27193061 [0,0,0,1,0,0|2,0,1]=4 322 B13R2.3729 O=C1C=C2NCCCCC2CC1 Amb27230390 [0,0,0,1,0,0|2,0,1]=4 323 B13R2.3729 O=C1CCC2CCCC=CC2C1 Amb27954078 [0,0,0,1,0,0|1,0,2]=4 324 B13R2.3729 O=C1CCC2CCCNCC2N1 Amb28397430 [0,0,0,1,0,0|2,0,0]=3 325 B13R2.3729 O=C1CCC2CCNCCC2N1 Amb27593578 [0,0,0,1,0,0|2,0,0]=3 326 B13R2.3729 O=C1CCC2CNCCCC2N1 Amb27614658 [0,0,0,1,0,0|2,0,0]=3 327 B13R2.3729 O=C1CC[C@@H]2C=CCCC[C@@H]2C1 Amb27844135 [0,0,0,1,0,0|1,0,2]=4 328 B13R2.3729 O=C1CC[C@@H]2CCCNC[C@H]2N1 Amb18826475 [0,0,0,1,0,0|2,0,0]=3 329 B13R2.3729 O=C1CC[C@@H]2CCNCC[C@H]2N1 Amb18826473 [0,0,0,1,0,0|2,0,0]=3 330 B13R2.3729 O=C1CC[C@@H]2CNCCC[C@H]2N1 Amb18826479 [0,0,0,1,0,0|2,0,0]=3 331 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,1,0,0|1,0,0]=2 332 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,1,0,0|2,0,0]=3 333 B13R2.3729 OC1CC[C@@H]2CCCCC[C@@H]2C1 Amb27452059 [0,0,0,1,0,0|1,0,2]=4 334 B13R2.3729 O[C@@H]1CC[C@H]2CCCCCC2C1 Amb27980489 [0,0,0,1,0,0|1,0,2]=4 335 B13R2.3729 O[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27643513 [0,0,0,1,0,0|1,0,2]=4 336 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,1,0,0|1,0,0]=2 337 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,1,0,0|1,0,0]=2 338 B13R2.4719 O=C1CC2=CCCCCC(C1)C2 Amb27176124 [0,0,0,1,0,0|1,0,2]=4 339 B13R2.4719 O=C1CC2CCCCCC(C1)C2 Amb24400472 [0,0,0,1,0,0|1,0,0]=2 340 B13R2.4719 O=C1C[C@H]2CCCCC[C@@H](C1)C2 Amb27177986 [0,0,0,1,0,0|1,0,0]=2 341 B13R2.4719 OC1CC2CCCCCC(C1)C2 Amb27751915 [0,0,0,1,0,0|1,0,2]=4 342 B13R2.4719 O[C@@H]1C[C@H]2CCCCC[C@H](C2)C1 Amb27653064 [0,0,0,1,0,0|1,0,2]=4 343 B13R2.4818 CC1CCCC2CC=CC(=O)C12 Amb27177883 [0,0,0,1,0,0|1,0,2]=4 344 B13R2.4818 CC1CCCC2CCCC(=O)C12 Amb27256357 [0,0,0,1,0,0|1,0,0]=2 345 B13R2.4818 CC1CCCC2CCCC(O)C12 Amb27605346 [0,0,0,1,0,0|1,0,2]=4 346 B13R2.4818 C[C@@H]1CCC[C@H]2CCCC(=O)[C@@H]21 Amb28429551 [0,0,0,1,0,0|1,0,0]=2 347 B13R2.4818 C[C@@H]1CCC[C@H]2CCC[C@@H](O)[C@@H]21 Amb27443317 [0,0,0,1,0,0|1,0,2]=4 348 B13R2.4818 C[C@H]1C=CC[C@@H]2CCCC(=O)[C@H]12 Amb27861146 [0,0,0,1,0,0|1,0,2]=4 349 B13R2.4818 C[C@H]1CCC[C@@H]2CCCC(=O)[C@H]12 Amb27427740 [0,0,0,1,0,0|1,0,0]=2 350 B13R2.4818 C[C@H]1CCC[C@H]2CC=CC(=O)[C@H]12 Amb28202084 [0,0,0,1,0,0|1,0,2]=4 351 B13R2.4818 C[C@H]1CCC[C@H]2CCC[C@H](O)[C@@H]12 Amb27457966 [0,0,0,1,0,0|1,0,2]=4 352 B13R2.4818 C[C@H]1CCC[C@H]2CCC[C@H](O)[C@H]12 Amb28321599 [0,0,0,1,0,0|1,0,2]=4 353 B13R2.4818 O=C1CCCC2CCCC(=O)C12 Amb28054311 [0,0,0,1,0,0|2,0,1]=4 354 B13R2.4818 O=C1CCCC2CCCC(=O)N12 Amb27856960 [0,0,0,1,0,0|2,0,1]=4 355 B13R2.4818 O=C1CCC[C@H]2CCC[C@H](O)[C@@H]12 Amb28194567 [0,0,0,1,0,0|2,0,0]=3 356 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,1,0,0|1,0,1]=3 357 B13R2.4820 O=C1CCCC2=C1CCCCN2 Amb27402515 [0,0,0,1,0,0|2,0,1]=4 358 B13R2.4820 O=C1CCCC2CC=CCCN12 Amb27598036 [0,0,0,1,0,0|1,0,2]=4 359 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,1,0,0|1,0,1]=3 360 B13R2.4820 O=C1CCC[C@H]2CC=CCC[C@H]12 Amb27212444 [0,0,0,1,0,0|1,0,2]=4 361 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,1,0,0|1,0,0]=2 362 B13R2.4820 O=C1CCNC2CCCCCN12 Amb33295208 [0,0,0,1,0,0|2,0,0]=3 363 B13R2.4820 O=C1CCOC2CCCCCC12 Amb18826487 [0,0,0,1,0,0|2,0,0]=3 364 B13R2.4820 O=C1NCCN2CCCCCC12 Amb2692468 [0,0,0,1,0,0|3,0,0]=4 365 B13R2.4820 O[C@@H]1CCC[C@H]2CCCCC[C@H]12 Amb28321263 [0,0,0,1,0,0|1,0,2]=4 366 B13R2.4820 O[C@H]1CCC[C@H]2CCCCC[C@H]12 Amb27420626 [0,0,0,1,0,0|1,0,2]=4 367 B13R2.5179 CC1=C2CCC(=O)C[C@@H]2CCC1 Amb28141264 [0,0,0,1,0,0|1,0,2]=4 368 B13R2.5179 CC1CCCC2=CC(=O)CCC21 Amb17594083 [0,0,0,1,0,0|1,0,1]=3 369 B13R2.5179 CC1CCCC2NC(=O)CCC12 Amb27815132 [0,0,0,1,0,0|1,0,0]=2 370 B13R2.5179 CC1CCCC2NC(=S)CCC12 Amb28245762 [0,0,0,1,0,0|1,1,0]=3 371 B13R2.5179 CC1NCCC2=CC(=O)CCC21 Amb28323150 [0,0,0,1,0,0|2,0,1]=4 372 B13R2.5179 CC1NCCC2CC(=O)CCC21 Amb27259415 [0,0,0,1,0,0|2,0,0]=3 373 B13R2.5179 CC1NCCC2NC(=O)CCC12 Amb28123726 [0,0,0,1,0,0|2,0,0]=3 374 B13R2.5179 CN1CCCC2CC(=O)CCC21 Amb27876196 [0,0,0,1,0,0|2,0,0]=3 375 B13R2.5179 C[C@@H]1CCCC2=CC(=O)CC[C@H]21 Amb27212471 [0,0,0,1,0,0|1,0,1]=3 376 B13R2.5179 C[C@@H]1CCC[C@@H]2CC(=O)CCN12 Amb27428327 [0,0,0,1,0,0|2,0,0]=3 377 B13R2.5179 C[C@H]1CCC[C@@H]2NC(=O)CC[C@H]12 Amb27790359 [0,0,0,1,0,0|1,0,0]=2 378 B13R2.5179 C[C@H]1CCC[C@@H]2N[C@H](C)CC[C@H]12 Amb28132434 [0,0,0,1,0,0|2,0,1]=4 379 B13R2.5179 C[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1 Amb27962919 [0,0,0,1,0,0|2,0,1]=4 380 B13R2.5179 C[C@H]1NCCC2=CC(=O)CC[C@@H]21 Amb27199703 [0,0,0,1,0,0|2,0,1]=4 381 B13R2.5179 C[C@H]1NCC[C@@H]2CC(=O)CC[C@@H]21 Amb27876628 [0,0,0,1,0,0|2,0,0]=3 382 B13R2.5179 NC1CCCC2NC(=O)CCC12 Amb23452730 [0,0,0,1,0,0|2,0,0]=3 383 B13R2.5179 NC1CCCC2NC(=O)CNC12 Amb27484864 [0,0,0,1,0,0|3,0,0]=4 384 B13R2.5179 O=C1C=C2CCCC(O)C2CC1 Amb27802507 [0,0,0,1,0,0|2,0,1]=4 385 B13R2.5179 O=C1CCC2C(=O)CCCC2C1 Amb27176220 [0,0,0,1,0,0|2,0,1]=4 386 B13R2.5179 O=C1CC[C@H]2C(=O)CCC[C@H]2N1 Amb27841332 [0,0,0,1,0,0|2,0,1]=4 387 B13R2.5179 O=C1CNC2C(O)CCCC2N1 Amb28364814 [0,0,0,1,0,0|3,0,0]=4 388 B13R2.5331 CC1CCCC(CNC2CC2)O1 Amb27646056 [0,0,0,1,0,0|2,0,1]=4 389 B13R2.5331 O=C1CCCC(CNC2CC2)N1 Amb32721822 [0,0,0,1,0,0|2,0,0]=3 390 B13R2.5331 O=C1CCOC(CCC2CC2)C1 Amb27231985 [0,0,0,1,0,0|2,0,0]=3 391 B13R2.5331 O=C1COCC(CCC2CC2)N1 Amb27427476 [0,0,0,1,0,0|2,0,0]=3 392 B13R2.11128 CC1CCNC2(CCCCC2)O1 Amb33193264 [0,0,0,1,0,0|2,0,1]=4 393 B13R2.11128 CC1CCOC2(CCCCC2)O1 Amb4158276 [0,0,0,1,0,0|2,0,1]=4 394 B13R2.11128 CC1CNCC2(CCCCC2)O1 Amb17060676 [0,0,0,1,0,0|2,0,1]=4 395 B13R2.11128 NC1CCCC2(CCCCC2)C1 Amb26973837 [0,0,0,1,0,0|2,0,1]=4 396 B13R2.11128 NC1CCCC2(CCCCC2)C1 Amb33741726 [0,0,0,1,0,0|2,0,1]=4 397 B13R2.11128 O=C1C=COC2(CCCCC2)O1 Amb25917869 [0,0,0,1,0,0|1,0,2]=4 398 B13R2.11128 O=C1CC2(CCCCC2)CCN1 Amb28288238 [0,0,0,1,0,0|2,0,0]=3 399 B13R2.11128 O=C1CC2(CCCCC2)CCO1 Amb24737335 [0,0,0,1,0,0|2,0,0]=3 400 B13R2.11128 O=C1CC2(CCNCC2)CCN1 Amb18559404 [0,0,0,1,0,0|3,0,0]=4 401 B13R2.11128 O=C1CC2(CCNCC2)CCN1 Amb24179151 [0,0,0,1,0,0|3,0,0]=4 402 B13R2.11128 O=C1CC2(CCNCC2)CCN1 Amb33714472 [0,0,0,1,0,0|3,0,0]=4 403 B13R2.11128 O=C1CCCC2(CCCCC2)C1 Amb4009192 [0,0,0,1,0,0|1,0,0]=2 404 B13R2.11128 O=C1CCCC2(CCCCC2)N1 Amb25150848 [0,0,0,1,0,0|1,0,0]=2 405 B13R2.11128 O=C1CCCC2(CCCNC2)N1 Amb27175663 [0,0,0,1,0,0|2,0,0]=3 406 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Amb10069947 [0,0,0,1,0,0|2,0,0]=3 407 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Amb24425488 [0,0,0,1,0,0|2,0,0]=3 408 B13R2.11128 O=C1CCCC2(CCOCC2)N1 Amb27217339 [0,0,0,1,0,0|2,0,0]=3 409 B13R2.11128 O=C1CCCC2(CCSCC2)N1 Amb32946780 [0,0,0,1,0,0|2,0,0]=3 410 B13R2.11128 O=C1CCNC2(CCCCC2)C1 Amb18826926 [0,0,0,1,0,0|2,0,0]=3 411 B13R2.11128 O=C1CCNC2(CCCOC2)C1 Amb18826016 [0,0,0,1,0,0|3,0,0]=4 412 B13R2.11128 O=C1CCNC2(CCCSC2)C1 Amb18822348 [0,0,0,1,0,0|3,0,0]=4 413 B13R2.11128 O=C1CCNC2(CCOCC2)C1 Amb18826015 [0,0,0,1,0,0|3,0,0]=4 414 B13R2.11128 O=C1CCNC2(CCSCC2)C1 Amb18822347 [0,0,0,1,0,0|3,0,0]=4 415 B13R2.11128 O=C1CCOC2(CCCCC2)C1 Amb18826491 [0,0,0,1,0,0|2,0,0]=3 416 B13R2.11128 O=C1CCOC2(CCNCC2)C1 Amb18826005 [0,0,0,1,0,0|3,0,0]=4 417 B13R2.11128 O=C1CCOC2(CCNCC2)C1 Amb31156658 [0,0,0,1,0,0|3,0,0]=4 418 B13R2.11128 O=C1CCOC2(CCOCC2)C1 Amb18825690 [0,0,0,1,0,0|3,0,0]=4 419 B13R2.11128 O=C1CCOC2(CCSCC2)C1 Amb18821900 [0,0,0,1,0,0|3,0,0]=4 420 B13R2.11128 O=C1CCSC2(CCCCC2)C1 Amb18822698 [0,0,0,1,0,0|2,0,0]=3 421 B13R2.11128 O=C1CCSC2(CCOCC2)C1 Amb18821898 [0,0,0,1,0,0|3,0,0]=4 422 B13R2.11128 O=C1COCC2(CCNCC2)N1 Amb24537781 [0,0,0,1,0,0|3,0,0]=4 423 B13R2.11128 O=C1COCC2(CCOCC2)N1 Amb27227301 [0,0,0,1,0,0|3,0,0]=4 424 B13R2.11128 O=C1CONC2(CCCCC2)N1 Amb27408619 [0,0,0,1,0,0|3,0,0]=4 425 B13R2.11128 O=C1NC2(CCCNC2)CCO1 Amb25756619 [0,0,0,1,0,0|3,0,0]=4 426 B13R2.11128 O=C1NC2(CCNCC2)CCO1 Amb23440221 [0,0,0,1,0,0|3,0,0]=4 427 B13R2.11128 O=C1NCCC2(CCCCC2)N1 Amb27186676 [0,0,0,1,0,0|2,0,0]=3 428 B13R2.11128 O=C1NCCC2(CCCCC2)O1 Amb26587318 [0,0,0,1,0,0|1,0,0]=2 429 B13R2.11128 O=C1NCCC2(CCCNC2)O1 Amb27793859 [0,0,0,1,0,0|2,0,0]=3 430 B13R2.11128 O=C1NCCC2(CCCSC2)O1 Amb24564764 [0,0,0,1,0,0|2,0,0]=3 431 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb21964417 [0,0,0,1,0,0|2,0,0]=3 432 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb22727974 [0,0,0,1,0,0|2,0,0]=3 433 B13R2.11128 O=C1NCCC2(CCOCC2)O1 Amb25941938 [0,0,0,1,0,0|2,0,0]=3 434 B13R2.11128 O=C1NCCC2(CCSCC2)O1 Amb26973157 [0,0,0,1,0,0|2,0,0]=3 435 B13R2.11128 OC1CCCC2(CCCCC2)O1 Amb28455557 [0,0,0,1,0,0|0,0,2]=3 436 B13R2.11128 O[C@@H]1CCC[C@@]2(CCCCO2)O1 Amb27208201 [0,0,0,1,0,0|1,0,2]=4 437 B11R1.27 CCCC#CC1CCC(=O)C1 Amb27261961 [0,0,0,0,1,0|1,0,2]=4 438 B11R1.27 CCCC#CC1CCC(=O)N1 Amb28120024 [0,0,0,0,1,0|1,0,2]=4 439 B11R1.27 CCCCCC1=CC(=O)CC1 Amb27987060 [0,0,0,0,1,0|1,0,1]=3 440 B11R1.27 CCCCCC1=CC(=O)CO1 Amb27672377 [0,0,0,0,1,0|2,0,1]=4 441 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [0,0,0,0,1,0|1,0,2]=4 442 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [0,0,0,0,1,0|0,0,2]=3 443 B11R1.27 CCCCCC1=NNC(=O)O1 Amb24755475 [0,0,0,0,1,0|2,0,1]=4 444 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [0,0,0,0,1,0|0,0,2]=3 445 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [0,0,0,0,1,0|0,0,0]=1 446 B11R1.27 CCCCCC1CCC(Cl)C1 Amb27987841 [0,0,0,0,1,0|2,0,1]=4 447 B11R1.27 CCCCCC1CCC(O)C1 Amb27272444 [0,0,0,0,1,0|1,0,2]=4 448 B11R1.27 CCCCCC1CN=C(N)N1 Amb27671383 [0,0,0,0,1,0|3,0,0]=4 449 B11R1.27 CCCCCC1CN=C(N)O1 Amb27987869 [0,0,0,0,1,0|2,0,0]=3 450 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [0,0,0,0,1,0|1,0,0]=2 451 B11R1.27 CCCCCC1OCC(C)O1 Amb22229843 [0,0,0,0,1,0|2,0,1]=4 452 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [0,0,0,0,1,0|1,0,0]=2 453 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [0,0,0,0,1,0|1,0,0]=2 454 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [0,0,0,0,1,0|1,0,0]=2 455 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [0,0,0,0,1,0|0,0,0]=1 456 B11R1.27 CCCCSC1=CC(=O)CC1 Amb27272290 [0,0,0,0,1,0|2,0,1]=4 457 B11R1.27 CCCNCC1CCC(=O)N1 Amb25382477 [0,0,0,0,1,0|2,0,0]=3 458 B11R1.27 CCCNCC1CCC(C)O1 Amb27269412 [0,0,0,0,1,0|2,0,1]=4 459 B11R1.27 CCCNCC1CNC(=O)C1 Amb28079895 [0,0,0,0,1,0|3,0,0]=4 460 B11R1.27 CCCNCC1CNC(=O)O1 Amb28352094 [0,0,0,0,1,0|2,0,0]=3 461 B11R1.27 CCCNCC1COC(=O)N1 Amb28352095 [0,0,0,0,1,0|3,0,0]=4 462 B11R1.27 CCCOCC1=CC(=O)CC1 Amb27987814 [0,0,0,0,1,0|2,0,1]=4 463 B11R1.27 CCCOCC1CCC(=O)C1 Amb27987809 [0,0,0,0,1,0|2,0,0]=3 464 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 Amb27673440 [0,0,0,0,1,0|2,0,0]=3 465 B11R1.27 CCC\C=C\C1CNC(=O)O1 Amb33373721 [0,0,0,0,1,0|1,0,2]=4 466 B11R1.27 CCSCCC1=CC(=O)CC1 Amb27492308 [0,0,0,0,1,0|2,0,1]=4 467 B11R1.27 CCSCCC1COC(=O)N1 Amb27266840 [0,0,0,0,1,0|3,0,0]=4 468 B11R1.27 CCSCCN1CCC(=O)C1 Amb27267017 [0,0,0,0,1,0|3,0,0]=4 469 B11R1.27 CNCCCC1CCC(C)O1 Amb28387037 [0,0,0,0,1,0|2,0,1]=4 470 B11R1.27 COCCCC1=CC(=O)CC1 Amb27987926 [0,0,0,0,1,0|2,0,1]=4 471 B11R1.27 COCOC[C@H]1CCC(=O)N1 Amb27673455 [0,0,0,0,1,0|3,0,0]=4 472 B11R1.27 CSCCCC1=CC(=O)CC1 Amb27492307 [0,0,0,0,1,0|2,0,1]=4 473 B11R1.27 CSCCCC1COC(=O)N1 Amb27818857 [0,0,0,0,1,0|3,0,0]=4 474 B11R1.27 CSCCSC1CCC(=O)C1 Amb28079898 [0,0,0,0,1,0|3,0,0]=4 475 B11R1.27 C[C@@H]1CCC(CCCCN)O1 Amb32730449 [0,0,0,0,1,0|2,0,1]=4 476 B11R1.27 C\C=C\CCC1CCC(=O)N1 Amb26622093 [0,0,0,0,1,0|1,0,2]=4 477 B11R1.27 NCCCCC1CCC(=O)O1 Amb27671667 [0,0,0,0,1,0|1,0,0]=2 478 B11R1.27 NCCSCC1CNC(=O)O1 Amb6746145 [0,0,0,0,1,0|3,0,0]=4 479 B11R1.27 O=C1C=C(CCCCBr)CC1 Amb27673335 [0,0,0,0,1,0|2,0,1]=4 480 B11R1.27 O=C1C=C[C@@H](CCCCO)O1 Amb27989710 [0,0,0,0,1,0|1,0,2]=4 481 B11R1.27 O=C1CCC(CCCCBr)C1 Amb27673519 [0,0,0,0,1,0|2,0,0]=3 482 B11R1.27 O=C1CCC(CCCCCl)C1 Amb27990027 [0,0,0,0,1,0|2,0,0]=3 483 B11R1.27 O=C1CCC(CCCCO)C1 Amb28080310 [0,0,0,0,1,0|2,0,0]=3 484 B11R1.27 O=C1CCC(SCCCO)C1 Amb27271112 [0,0,0,0,1,0|3,0,0]=4 485 B11R1.27 O=C1CCN(CCCCF)C1 Amb27987922 [0,0,0,0,1,0|3,0,0]=4 486 B11R1.27 O=CCCC[C@@H]1CCC(=O)N1 Amb28080117 [0,0,0,0,1,0|2,0,1]=4 487 B11R1.180 C#CCCCC1COCC1=O Amb35608520 [0,0,0,0,1,0|1,0,2]=4 488 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [0,0,0,0,1,0|0,0,2]=3 489 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [0,0,0,0,1,0|0,0,2]=3 490 B11R1.180 C=CCOC[C@@H]1CCCC1=O Amb25382187 [0,0,0,0,1,0|1,0,2]=4 491 B11R1.180 C=CCOC[C@H]1CCCC1=O Amb27672521 [0,0,0,0,1,0|1,0,2]=4 492 B11R1.180 CC#CCCC1COCC1=O Amb35639032 [0,0,0,0,1,0|1,0,2]=4 493 B11R1.180 CCC#CCC1CCCC1=O Amb27791342 [0,0,0,0,1,0|0,0,2]=3 494 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [0,0,0,0,1,0|0,0,2]=3 495 B11R1.180 CCCCCC1=COCC1=O Amb27672330 [0,0,0,0,1,0|1,0,2]=4 496 B11R1.180 CCCCCC1C=CCC1=O Amb27672594 [0,0,0,0,1,0|0,0,2]=3 497 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [0,0,0,0,1,0|0,0,2]=3 498 B11R1.180 CCCCCC1CCCC1=O Amb534714 [0,0,0,0,1,0|0,0,0]=1 499 B11R1.180 CCCCCC1CCCC1Br Amb27266930 [0,0,0,0,1,0|1,0,1]=3 500 B11R1.180 CCCCCC1CCCC1O Amb18183110 [0,0,0,0,1,0|0,0,2]=3 501 B11R1.180 CCCCCC1CCCN1C Amb27272323 [0,0,0,0,1,0|2,0,0]=3 502 B11R1.180 CCCCCC1CNCC1O Amb32944704 [0,0,0,0,1,0|1,0,2]=4 503 B11R1.180 CCCCCC1COCC1=O Amb27672690 [0,0,0,0,1,0|1,0,0]=2 504 B11R1.180 CCCCCC1COCC1O Amb32945486 [0,0,0,0,1,0|1,0,2]=4 505 B11R1.180 CCCCCC1OCCC1N Amb27271299 [0,0,0,0,1,0|2,0,1]=4 506 B11R1.180 CCCCCC1OCCC1O Amb27673890 [0,0,0,0,1,0|1,0,2]=4 507 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [0,0,0,0,1,0|1,0,0]=2 508 B11R1.180 CCCCCN1CCCC1C Amb27272044 [0,0,0,0,1,0|2,0,1]=4 509 B11R1.180 CCCCCN1CCCC1C Amb28352147 [0,0,0,0,1,0|2,0,1]=4 510 B11R1.180 CCCCCN1CCNC1=O Amb28386660 [0,0,0,0,1,0|2,0,0]=3 511 B11R1.180 CCCCC[C@@H]1CCC[C@H]1O Amb26659964 [0,0,0,0,1,0|0,0,2]=3 512 B11R1.180 CCCCC[C@@H]1CNC[C@H]1O Amb32945391 [0,0,0,0,1,0|1,0,2]=4 513 B11R1.180 CCCCC[C@@H]1COC[C@H]1O Amb32945059 [0,0,0,0,1,0|1,0,2]=4 514 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [0,0,0,0,1,0|1,0,2]=4 515 B11R1.180 CCCCNC1CCC=C1Br Amb27673636 [0,0,0,0,1,0|2,0,1]=4 516 B11R1.180 CCCCNC1CCCC1Cl Amb27674051 [0,0,0,0,1,0|2,0,1]=4 517 B11R1.180 CCCCNC1CCCC1O Amb18303638 [0,0,0,0,1,0|1,0,2]=4 518 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O Amb27266974 [0,0,0,0,1,0|1,0,2]=4 519 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O Amb27988011 [0,0,0,0,1,0|1,0,2]=4 520 B11R1.180 CCCCOC1CCCC1Br Amb24761922 [0,0,0,0,1,0|2,0,1]=4 521 B11R1.180 CCCCOC1CCCC1I Amb27000729 [0,0,0,0,1,0|2,0,1]=4 522 B11R1.180 CCCCOC1CCCC1N Amb8895216 [0,0,0,0,1,0|2,0,1]=4 523 B11R1.180 CCCCOC1CCCC1O Amb18799957 [0,0,0,0,1,0|1,0,2]=4 524 B11R1.180 CCCCOC1OCCC1=O Amb27673554 [0,0,0,0,1,0|2,0,0]=3 525 B11R1.180 CCCCSC1CCCC1Cl Amb27990087 [0,0,0,0,1,0|2,0,1]=4 526 B11R1.180 CCCC\C=C1\CCCC1=O Amb533060 [0,0,0,0,1,0|0,0,2]=3 527 B11R1.180 CCCC\C=C1\CCOC1=O Amb25947841 [0,0,0,0,1,0|1,0,2]=4 528 B11R1.180 CCCNCC1CCCC1C Amb27987158 [0,0,0,0,1,0|2,0,1]=4 529 B11R1.180 CCCNCC1CCCC1Cl Amb27271601 [0,0,0,0,1,0|2,0,1]=4 530 B11R1.180 CCCNCC1CCCC1O Amb27271525 [0,0,0,0,1,0|1,0,2]=4 531 B11R1.180 CCCOCC1CCCC1=O Amb27987801 [0,0,0,0,1,0|1,0,0]=2 532 B11R1.180 CCCOCC1CCCC1Br Amb27987803 [0,0,0,0,1,0|2,0,1]=4 533 B11R1.180 CCCOCC1CCCC1Cl Amb27987802 [0,0,0,0,1,0|2,0,1]=4 534 B11R1.180 CCCOCC1CCCC1N Amb27987806 [0,0,0,0,1,0|2,0,1]=4 535 B11R1.180 CCCOCC1CCCC1O Amb27987798 [0,0,0,0,1,0|1,0,2]=4 536 B11R1.180 CCCOC[C@@H]1CCC[C@H]1O Amb32944526 [0,0,0,0,1,0|1,0,2]=4 537 B11R1.180 CCNCCC1CCNC1=O Amb27674171 [0,0,0,0,1,0|2,0,0]=3 538 B11R1.180 CCNCCN1CCNC1=O Amb6667162 [0,0,0,0,1,0|3,0,0]=4 539 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [0,0,0,0,1,0|3,0,0]=4 540 B11R1.180 CCOCCC1CC=CC1=O Amb27672318 [0,0,0,0,1,0|1,0,2]=4 541 B11R1.180 CCOCCC1CCCC1Br Amb27269149 [0,0,0,0,1,0|2,0,1]=4 542 B11R1.180 CCOCCC1CCCC1O Amb18183285 [0,0,0,0,1,0|1,0,2]=4 543 B11R1.180 CCOCCN1CCNC1=O Amb28386659 [0,0,0,0,1,0|3,0,0]=4 544 B11R1.180 CCSCCC1CCCC1=O Amb27269774 [0,0,0,0,1,0|1,0,0]=2 545 B11R1.180 CCSCCC1CCCC1Br Amb27271790 [0,0,0,0,1,0|2,0,1]=4 546 B11R1.180 CCSCCC1CCCC1Cl Amb27986363 [0,0,0,0,1,0|2,0,1]=4 547 B11R1.180 CCSCCC1CCCC1N Amb27987804 [0,0,0,0,1,0|2,0,1]=4 548 B11R1.180 CCSCCC1CCCC1O Amb27986369 [0,0,0,0,1,0|1,0,2]=4 549 B11R1.180 CCSCCC1CSCC1=O Amb27271770 [0,0,0,0,1,0|2,0,0]=3 550 B11R1.180 CC\C=C/CC1CCCC1=O Amb27272751 [0,0,0,0,1,0|0,0,2]=3 551 B11R1.180 CC\C=C\CC1CCCC1=O Amb26923884 [0,0,0,0,1,0|0,0,2]=3 552 B11R1.180 CN1CCCC1CCCCBr Amb33434965 [0,0,0,0,1,0|3,0,0]=4 553 B11R1.180 CN1CCCC1CCCCN Amb33321392 [0,0,0,0,1,0|3,0,0]=4 554 B11R1.180 CN1CCCC1CCCCO Amb24750381 [0,0,0,0,1,0|3,0,0]=4 555 B11R1.180 CN1CCCC1CCCCS Amb33325945 [0,0,0,0,1,0|3,0,0]=4 556 B11R1.180 CNCCCC1CCCN1C Amb23541770 [0,0,0,0,1,0|3,0,0]=4 557 B11R1.180 CNCCCN1CCCC1=O Amb19015452 [0,0,0,0,1,0|2,0,0]=3 558 B11R1.180 CNCCSC1CCOC1=O Amb27674014 [0,0,0,0,1,0|3,0,0]=4 559 B11R1.180 COCCCC1CCCC1Br Amb27269148 [0,0,0,0,1,0|2,0,1]=4 560 B11R1.180 COCCCC1CCCC1Cl Amb18808937 [0,0,0,0,1,0|2,0,1]=4 561 B11R1.180 COCCCC1CCCC1O Amb18183284 [0,0,0,0,1,0|1,0,2]=4 562 B11R1.180 COCCCN1CCCC1=O Amb24064201 [0,0,0,0,1,0|2,0,0]=3 563 B11R1.180 COCCCN1CCNC1=O Amb28386661 [0,0,0,0,1,0|3,0,0]=4 564 B11R1.180 COCCC[C@@H]1CCC[C@H]1O Amb32945571 [0,0,0,0,1,0|1,0,2]=4 565 B11R1.180 CONCCC1CCNC1=O Amb27674172 [0,0,0,0,1,0|3,0,0]=4 566 B11R1.180 CONCCN1CCCC1=O Amb27988831 [0,0,0,0,1,0|3,0,0]=4 567 B11R1.180 CSCCCC1CCCC1Br Amb27271791 [0,0,0,0,1,0|2,0,1]=4 568 B11R1.180 CSCCCC1CCCC1Cl Amb27986364 [0,0,0,0,1,0|2,0,1]=4 569 B11R1.180 CSCCCC1CCCC1O Amb27986370 [0,0,0,0,1,0|1,0,2]=4 570 B11R1.180 CSCCCC1CSCC1=O Amb27271771 [0,0,0,0,1,0|2,0,0]=3 571 B11R1.180 CSCCCN1CCNC1=O Amb28386658 [0,0,0,0,1,0|3,0,0]=4 572 B11R1.180 CSCCNC1CCNC1=O Amb27271802 [0,0,0,0,1,0|3,0,0]=4 573 B11R1.180 CSCCNC1CCOC1=O Amb27271810 [0,0,0,0,1,0|3,0,0]=4 574 B11R1.180 CSCCNC1CCSC1=O Amb27271811 [0,0,0,0,1,0|3,0,0]=4 575 B11R1.180 CSCCN[C@H]1CCOC1=O Amb27987317 [0,0,0,0,1,0|3,0,0]=4 576 B11R1.180 CSCCSC1CCCC1=O Amb28079899 [0,0,0,0,1,0|2,0,0]=3 577 B11R1.180 C\C=C\COC1CCCC1=O Amb28194475 [0,0,0,0,1,0|1,0,2]=4 578 B11R1.180 N#CCCCC1CCCC1=O Amb25717939 [0,0,0,0,1,0|1,0,1]=3 579 B11R1.180 NCCCCC1NCNC1=O Amb27673315 [0,0,0,0,1,0|3,0,0]=4 580 B11R1.180 NCCCCN1CCCC1=O Amb6244615 [0,0,0,0,1,0|2,0,0]=3 581 B11R1.180 NCCCSC1CCOC1=O Amb27271115 [0,0,0,0,1,0|3,0,0]=4 582 B11R1.180 O=C1CCC=C1CCCCBr Amb27673332 [0,0,0,0,1,0|1,0,2]=4 583 B11R1.180 O=C1CCC=C1CCCCCl Amb27989998 [0,0,0,0,1,0|1,0,2]=4 584 B11R1.180 O=C1CCCC1CCCCBr Amb27672177 [0,0,0,0,1,0|1,0,0]=2 585 B11R1.180 O=C1CCCC1CCCCF Amb27267015 [0,0,0,0,1,0|1,0,0]=2 586 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [0,0,0,0,1,0|1,0,0]=2 587 B11R1.180 O=C1CCCC1SCCCO Amb27271109 [0,0,0,0,1,0|2,0,0]=3 588 B11R1.180 O=C1CCCN1CCCCBr Amb33545934 [0,0,0,0,1,0|2,0,0]=3 589 B11R1.180 O=C1CCCN1CCCCCl Amb18184015 [0,0,0,0,1,0|2,0,0]=3 590 B11R1.180 O=C1CSCC1CCCCF Amb27267016 [0,0,0,0,1,0|2,0,0]=3 591 B11R1.180 O=C1NCCC1NCCCF Amb27271857 [0,0,0,0,1,0|3,0,0]=4 592 B11R1.180 O=C1NCCC1SCCCF Amb27989079 [0,0,0,0,1,0|3,0,0]=4 593 B11R1.180 O=C1NCCN1CCCCO Amb27671503 [0,0,0,0,1,0|3,0,0]=4 594 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [0,0,0,0,1,0|2,0,0]=3 595 B11R1.180 O=C1OCCC1NCCCF Amb27271858 [0,0,0,0,1,0|3,0,0]=4 596 B11R1.180 O=C1OCCN1CCCCBr Amb8855382 [0,0,0,0,1,0|3,0,0]=4 597 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [0,0,0,0,1,0|3,0,0]=4 598 B11R1.180 O=C1OCC[C@@H]1SCCCO Amb27989703 [0,0,0,0,1,0|3,0,0]=4 599 B11R1.180 O=C1SCCC1NCCCO Amb27818439 [0,0,0,0,1,0|3,0,0]=4 600 B11R1.180 O=CCCCC1CCOC1=O Amb27673678 [0,0,0,0,1,0|2,0,1]=4 601 B11R1.180 OCCCCC1CCCC1O Amb28080690 [0,0,0,0,1,0|1,0,2]=4 602 B11R1.180 [C-]#[N+]CCCN1CCCC1=O Amb19928634 [0,0,0,0,1,0|2,0,1]=4 603 B10R0.1 CCCC(=O)OCCCCO Amb21929137 [1,0,1,0,0,0|1,0,0]=3 604 B10R0.1 CCCC(=O)OCCCSC Amb31291621 [1,0,1,0,0,0|1,0,0]=3 605 B10R0.1 CCCCC#CC(=O)CCC Amb28080359 [1,0,1,0,0,0|0,0,2]=4 606 B10R0.1 CCCCCCC(=O)CCC Amb8513848 [1,0,1,0,0,0|0,0,0]=2 607 B10R0.1 CCCCCCC(=O)OCC Amb8515401 [1,0,1,0,0,0|1,0,0]=3 608 B10R0.1 CCCCCNC(=O)CCC Amb3366667 [1,0,1,0,0,0|1,0,0]=3 609 B10R0.1 CCCCCNC(=O)CCCl Amb6246121 [1,0,1,0,0,0|2,0,0]=4 610 B10R0.1 CCCCCNC(=O)CCN Amb5785074 [1,0,1,0,0,0|2,0,0]=4 611 B10R0.1 CCCCCNC(=O)CNC Amb6268709 [1,0,1,0,0,0|2,0,0]=4 612 B10R0.1 CCCCNCC(=O)OCC Amb6709616 [1,0,1,0,0,0|2,0,0]=4 613 B10R0.1 CCCNCCC(=O)OCC Amb8867150 [1,0,1,0,0,0|2,0,0]=4 614 B10R0.1 CCNCCCC(=O)NCC Amb33229013 [1,0,1,0,0,0|2,0,0]=4 615 B10R0.1 CCNCCCC(=O)OCC Amb33228999 [1,0,1,0,0,0|2,0,0]=4 616 B10R0.1 CCOC(=O)CCCCCBr Amb2720508 [1,0,1,0,0,0|2,0,0]=4 617 B10R0.1 CCOC(=O)CCCCCCl Amb32665801 [1,0,1,0,0,0|2,0,0]=4 618 B10R0.1 CCOC(=O)CCCCCN Amb10553125 [1,0,1,0,0,0|2,0,0]=4 619 B10R0.1 CCOC(=O)CCCCCN Amb6479233 [1,0,1,0,0,0|2,0,0]=4 620 B10R0.1 CCOC(=O)CCCCCO Amb3939201 [1,0,1,0,0,0|2,0,0]=4 621 B10R0.1 CCOC(=O)CCCCNC Amb33803534 [1,0,1,0,0,0|2,0,0]=4 622 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,1,0,0,0|0,0,2]=4 623 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,1,0,0,0|2,0,0]=4 624 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,1,0,0,0|2,0,0]=4 625 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,1,0,0,0|2,0,0]=4 626 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,1,0,0,0|2,0,0]=4 627 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,1,0,0,0|0,0,0]=2 628 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,1,0,0,0|1,0,1]=4 629 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,1,0,0,0|1,0,1]=4 630 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,1,0,0,0|1,0,1]=4 631 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,1,0,0,0|1,0,1]=4 632 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,1,0,0,0|1,0,1]=4 633 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,1,0,0,0|0,0,1]=3 634 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,1,0,0,0|0,1,1]=4 635 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,1,0,0,0|2,0,0]=4 636 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,1,0,0,0|2,0,0]=4 637 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,1,0,0,0|1,0,1]=4 638 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,1,0,0,0|1,0,0]=3 639 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,1,0,0,0|2,0,0]=4 640 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,1,0,0,0|1,0,1]=4 641 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,1,0,0,0|1,0,1]=4 642 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,1,0,0,0|1,0,1]=4 643 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,1,0,0,0|0,0,2]=4 644 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,1,0,0,0|1,0,1]=4 645 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,1,0,0,0|1,0,1]=4 646 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,1,0,0,0|1,0,1]=4 647 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,1,0,0,0|2,0,0]=4 648 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,1,0,0,0|0,0,2]=4 649 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,1,0,0,0|1,0,1]=4 650 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,1,0,0,0|1,0,1]=4 651 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,1,0,0,0|1,0,1]=4 652 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,1,0,0,0|1,0,1]=4 653 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,1,0,0,0|2,0,0]=4 654 B10R0.74 CCCCCCCC(=O)CC Amb6366429 [1,0,1,0,0,0|1,0,0]=3 655 B10R0.74 CCCCCCCC(=O)OC Amb8516706 [1,0,1,0,0,0|2,0,0]=4 656 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,1,0,0,0|2,0,0]=4 657 B10R0.74 CCCCCCNC(=O)CCl Amb6753822 [1,0,1,0,0,0|2,0,0]=4 658 B10R0.74 CCCCCCNC(=O)CN Amb9279196 [1,0,1,0,0,0|2,0,0]=4 659 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,0,1,0,0,0|1,0,1]=4 660 B10R0.74 CCCCCCOC(=O)CCl Amb9787731 [1,0,1,0,0,0|1,0,0]=3 661 B10R0.74 CCCCCCOC(=O)CN Amb2688622 [1,0,1,0,0,0|1,0,0]=3 662 B10R0.74 CCCCCCOC(=O)CS Amb2778632 [1,0,1,0,0,0|1,0,0]=3 663 B10R0.74 CCCCCC\C=C(\I)CC Amb22641682 [1,0,1,0,0,0|2,0,0]=4 664 B10R0.6 CCCCCC(C)CC(=O)O Amb19375410 [1,0,1,0,0,0|2,0,0]=4 665 B10R0.6 CCCNCC(C)OC(C)=O Amb18265960 [1,0,1,0,0,0|1,0,0]=3 666 B10R0.24 CCCC(CCCNC)OC Amb23538338 [1,0,1,0,0,0|1,0,1]=4 667 B10R0.24 CCCCCC(CBr)CCC Amb32688915 [1,0,1,0,0,0|1,0,1]=4 668 B10R0.24 CCCCCC(CCl)CCC Amb32688912 [1,0,1,0,0,0|1,0,1]=4 669 B10R0.24 CCCCCC(CN)OCC Amb33035088 [1,0,1,0,0,0|1,0,1]=4 670 B10R0.24 CCCCCC(CO)CCC Amb2796499 [1,0,1,0,0,0|0,0,2]=4 671 B10R0.87 CC(=O)OC(CBr)CCCBr Amb2721018 [1,0,1,0,0,0|2,0,0]=4 672 B10R0.87 CCCCC(CC)CC(=O)O Amb18797358 [1,0,1,0,0,0|2,0,0]=4 673 B10R0.87 CCCCC(CC)OC(C)=O Amb31291624 [1,0,1,0,0,0|0,0,0]=2 674 B10R0.4 C=C(Br)CCCCCCCC Amb6298935 [1,0,1,0,0,0|2,0,0]=4 675 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [1,0,1,0,0,0|2,0,0]=4 676 B10R0.4 C=C(Cl)CCCCCCCC Amb6298929 [1,0,1,0,0,0|2,0,0]=4 677 B10R0.4 CCC#CCCCCC(=O)O Amb27269519 [1,0,1,0,0,0|0,0,2]=4 678 B10R0.4 CCCC#CCCCC(=O)O Amb27269520 [1,0,1,0,0,0|0,0,2]=4 679 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,0,1,0,0,0|0,0,2]=4 680 B10R0.4 CCCCCCCCB(O)O Amb2456044 [1,0,1,0,0,0|1,0,1]=4 681 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,0,1,0,0,0|1,0,0]=3 682 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,0,1,0,0,0|0,0,0]=2 683 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,0,1,0,0,0|0,0,1]=3 684 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,0,1,0,0,0|1,0,0]=3 685 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,0,1,0,0,0|1,0,0]=3 686 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [1,0,1,0,0,0|1,0,1]=4 687 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,1,0,0,0|2,0,0]=4 688 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,0,1,0,0,0|2,0,0]=4 689 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,0,1,0,0,0|2,0,0]=4 690 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,0,1,0,0,0|1,0,0]=3 691 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,0,1,0,0,0|1,0,0]=3 692 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,0,1,0,0,0|0,0,2]=4 693 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [1,0,1,0,0,0|1,0,0]=3 694 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,0,1,0,0,0|1,0,0]=3 695 B10R0.4 CCC\C=C\CCCC(=O)O Amb33079428 [1,0,1,0,0,0|0,0,2]=4 696 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [1,0,1,0,0,0|1,0,0]=3 697 B10R0.4 CCOCCOCCC(=O)O Amb6273854 [1,0,1,0,0,0|2,0,0]=4 698 B10R0.4 CNCCOCCCC(=O)O Amb18106300 [1,0,1,0,0,0|2,0,0]=4 699 B10R0.4 COCCCNCCC(=O)O Amb8841109 [1,0,1,0,0,0|2,0,0]=4 700 B10R0.4 COCCCOCCC(=O)O Amb18180046 [1,0,1,0,0,0|2,0,0]=4 701 B10R0.4 COCCOCCCC(=O)O Amb6271198 [1,0,1,0,0,0|2,0,0]=4 702 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [1,0,1,0,0,0|1,0,0]=3 703 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [1,0,1,0,0,0|1,0,0]=3 704 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,1,0,0,0|1,0,0]=3 705 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [1,0,1,0,0,0|2,0,0]=4 706 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [1,0,1,0,0,0|2,0,0]=4 707 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [1,0,1,0,0,0|2,0,0]=4 708 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [1,0,1,0,0,0|2,0,0]=4 709 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,0,1,0,0,0|2,0,0]=4 710 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [1,0,1,0,0,0|1,0,0]=3 711 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,0,1,0,0,0|1,0,0]=3 712 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [1,0,1,0,0,0|2,0,0]=4 713 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [1,0,1,0,0,0|2,0,0]=4 714 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [1,0,1,0,0,0|1,0,1]=4 715 B10R0.18 CCCCC(C)NC(=O)NC Amb28387499 [1,0,1,0,0,0|2,0,0]=4 716 B10R1.10 CCCC1=CC(=O)CCC1 Amb25704046 [2,0,0,0,0,0|1,0,1]=4 717 B10R1.10 CCCC1CC(=O)CCN1 Amb18643754 [2,0,0,0,0,0|2,0,0]=4 718 B10R1.10 CCCC1CC(=O)CCN1 Amb22235732 [2,0,0,0,0,0|2,0,0]=4 719 B10R1.10 CCCC1CC(=O)CCO1 Amb24661952 [2,0,0,0,0,0|2,0,0]=4 720 B10R1.10 CCCC1CC(=O)CCS1 Amb25759710 [2,0,0,0,0,0|2,0,0]=4 721 B10R1.10 CCCC1CC=CC(=O)O1 Amb24099235 [2,0,0,0,0,0|0,0,2]=4 722 B10R1.10 CCCC1CCCC(=N)N1 Amb27434746 [2,0,0,0,0,0|2,0,0]=4 723 B10R1.10 CCCC1CCCC(=O)C1 Amb22754799 [2,0,0,0,0,0|1,0,0]=3 724 B10R1.10 CCCC1CCNC(=O)C1 Amb26026704 [2,0,0,0,0,0|2,0,0]=4 725 B10R1.10 CCCC1CCNC(=O)N1 Amb26026362 [2,0,0,0,0,0|2,0,0]=4 726 B10R1.10 CCCC1CNCC(=O)N1 Amb27953604 [2,0,0,0,0,0|2,0,0]=4 727 B10R1.10 CCCN1CCCC(=O)C1 Amb16187099 [2,0,0,0,0,0|2,0,0]=4 728 B10R1.10 CCC[C@H]1CC(=O)CCN1 Amb27208619 [2,0,0,0,0,0|2,0,0]=4 729 B10R1.10 CCC[C@H]1CCCC(=O)C1 Amb27436290 [2,0,0,0,0,0|1,0,0]=3 730 B10R1.10 CCC[C@H]1CCCC(=O)N1 Amb27770582 [2,0,0,0,0,0|1,0,0]=3 731 B10R1.10 CCC[C@H]1COCC(=O)N1 Amb27473283 [2,0,0,0,0,0|2,0,0]=4 732 B10R1.10 CCOC1CCCC(=O)C1 Amb27880749 [2,0,0,0,0,0|2,0,0]=4 733 B10R1.10 CNCC1CCCC(=O)N1 Amb26503825 [2,0,0,0,0,0|2,0,0]=4 734 B10R1.10 COCC1CCCC(=O)C1 Amb25070154 [2,0,0,0,0,0|2,0,0]=4 735 B10R1.10 CSCC1CCCC(=O)C1 Amb27429893 [2,0,0,0,0,0|2,0,0]=4 736 B10R1.10 NCCC1CCCC(=O)C1 Amb27191780 [2,0,0,0,0,0|2,0,0]=4 737 B10R1.10 NCCC1CCCC(=O)N1 Amb18831623 [2,0,0,0,0,0|2,0,0]=4 738 B10R1.10 NCCC1CCCC(=O)S1 Amb27626339 [2,0,0,0,0,0|1,1,0]=4 739 B10R1.10 O=C1CCCC(CCBr)C1 Amb27607892 [2,0,0,0,0,0|2,0,0]=4 740 B10R1.10 O=C1CCCC(CCBr)O1 Amb28120676 [2,0,0,0,0,0|1,0,0]=3 741 B10R1.10 O=C1CCCC(CCCl)O1 Amb27234609 [2,0,0,0,0,0|1,0,0]=3 742 B10R1.10 O=C1CCCC(CCO)C1 Amb26539684 [2,0,0,0,0,0|2,0,0]=4 743 B10R1.10 O=C1CCC[C@@H](CCO)O1 Amb28205971 [2,0,0,0,0,0|1,0,0]=3 744 B10R1.17 BrCCCC1CCCCO1 Amb25684382 [2,0,0,0,0,0|1,0,1]=4 745 B10R1.17 CCCCC1CCCCC1 Amb8513429 [2,0,0,0,0,0|1,0,1]=4 746 B10R1.17 CCCCC1CCCCN1 Amb2234936 [2,0,0,0,0,0|1,0,1]=4 747 B10R1.17 CCCCC1CCCCN1 Amb2237216 [2,0,0,0,0,0|1,0,1]=4 748 B10R1.17 CCCCC1CCCNC1 Amb18296090 [2,0,0,0,0,0|2,0,0]=4 749 B10R1.17 CCCCC1CCOCO1 Amb27837861 [2,0,0,0,0,0|1,0,1]=4 750 B10R1.17 CCCCC1CNCCO1 Amb17193971 [2,0,0,0,0,0|1,0,1]=4 751 B10R1.17 CCCC[C@H]1CCCCN1 Amb27425011 [2,0,0,0,0,0|1,0,1]=4 752 B10R1.17 CCCC[C@H]1CNCCO1 Amb28128437 [2,0,0,0,0,0|1,0,1]=4 753 B10R1.17 CCCNC1CCCCO1 Amb27798904 [2,0,0,0,0,0|1,0,1]=4 754 B10R1.17 CCNCC1C=CCCC1 Amb28050368 [2,0,0,0,0,0|2,0,0]=4 755 B10R1.17 CCNCC1CCCCO1 Amb10808747 [2,0,0,0,0,0|1,0,1]=4 756 B10R1.17 CCNCC1CCCCO1 Amb9258711 [2,0,0,0,0,0|1,0,1]=4 757 B10R1.17 CNCCC1CCCCO1 Amb10607311 [2,0,0,0,0,0|1,0,1]=4 758 B10R1.17 CNCCC1CCCCO1 Amb17505552 [2,0,0,0,0,0|1,0,1]=4 759 B10R1.17 ClCCCC1C=CCCC1 Amb27494077 [2,0,0,0,0,0|2,0,0]=4 760 B10R1.17 NCCCC1CCCCO1 Amb18251264 [2,0,0,0,0,0|1,0,1]=4 761 B10R1.17 OCCCC1CCC=CO1 Amb27839340 [2,0,0,0,0,0|1,0,1]=4 762 B10R1.17 OCCCC1CCCCO1 Amb27471574 [2,0,0,0,0,0|1,0,1]=4 763 B10R1.17 SCCCC1CCCCO1 Amb33374893 [2,0,0,0,0,0|1,0,1]=4 764 B12R0.1 CCCC(=O)NCCNCCOC Amb32644963 [0,1,1,0,0,0|2,0,0]=4 765 B12R0.1 CCCCCCCCC(=O)OCC Amb8515442 [0,1,1,0,0,0|2,0,0]=4 766 B12R0.1 CCCCCCCNC(=O)CCCl Amb3365413 [0,1,1,0,0,0|2,0,0]=4 767 B12R0.1 CCCCCCCNC(=O)CNC Amb20141923 [0,1,1,0,0,0|2,0,0]=4 768 B12R0.1 CCCCCNCCC(=O)OCC Amb9024160 [0,1,1,0,0,0|2,0,0]=4 769 B12R0.1 CCCCOCCOC(=O)CC#N Amb17210531 [0,1,1,0,0,0|1,0,1]=4 770 B12R0.1 CCCCOCCOC(=O)CCC Amb9787610 [0,1,1,0,0,0|0,0,0]=2 771 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,1,1,0,0,0|0,0,0]=2 772 B12R0.1 CCCNCCCOC(=O)COC Amb18928632 [0,1,1,0,0,0|1,0,0]=3 773 B12R0.1 CCOC(=O)CCCCCCCBr Amb10604167 [0,1,1,0,0,0|2,0,0]=4 774 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,1,0,0,0|2,0,0]=4 775 B12R0.1 CCOC(=O)CCCCCCCI Amb32410617 [0,1,1,0,0,0|2,0,0]=4 776 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,1,0,0,0|2,0,0]=4 777 B12R0.1 CCOC(=O)CCCCCCCN Amb33309141 [0,1,1,0,0,0|2,0,0]=4 778 B12R0.1 CCOC(=O)CCCCCCCO Amb32662870 [0,1,1,0,0,0|2,0,0]=4 779 B12R0.1 CCOCCCCNC(=O)CCBr Amb17333163 [0,1,1,0,0,0|2,0,0]=4 780 B12R0.1 CCOCCCCNC(=O)CCCl Amb17331760 [0,1,1,0,0,0|2,0,0]=4 781 B12R0.4 CC(C)CC(=O)NCCCCCN Amb18619115 [0,1,1,0,0,0|2,0,0]=4 782 B12R0.4 CCCCCCCC(=O)CC(C)=O Amb19068864 [0,1,1,0,0,0|1,0,1]=4 783 B12R0.4 CCCCCCCC(=O)CC(C)C Amb4605882 [0,1,1,0,0,0|1,0,0]=3 784 B12R0.49 CCCCCCOC(=O)C(C)CC Amb22363231 [0,1,1,0,0,0|0,0,0]=2 785 B12R0.49 CC\C=C/CCOC(=O)C(C)CC Amb22228875 [0,1,1,0,0,0|0,0,2]=4 786 B12R0.114 CCCCCCC(N)C(=O)OCC Amb19059298 [0,1,1,0,0,0|2,0,0]=4 787 B12R0.206 CCCCC(=O)NCCCCCN Amb18100642 [0,1,1,0,0,0|2,0,0]=4 788 B12R0.206 CCCCCCCC(=O)CCCC Amb6366430 [0,1,1,0,0,0|1,0,0]=3 789 B12R0.206 CCCCCCCC(=O)NCCO Amb9274002 [0,1,1,0,0,0|2,0,0]=4 790 B12R0.206 CCCCCCCC(=O)SCCO Amb34913759 [0,1,1,0,0,0|2,0,0]=4 791 B12R0.206 CCCCCCOC(=O)CN=[N+]=[N-] Amb18632987 [0,1,1,0,0,0|2,0,0]=4 792 B12R0.206 CCOCCCNC(=O)CCCCl Amb1140685 [0,1,1,0,0,0|2,0,0]=4 793 B12R0.239 CCCCCC(N)CC(=O)OCC Amb33254782 [0,1,1,0,0,0|2,0,0]=4 794 B12R0.239 CCCCCC(O)CC(=O)OCC Amb19071694 [0,1,1,0,0,0|2,0,0]=4 795 B12R0.239 CCCNCC(C)OC(=O)CCC Amb18265968 [0,1,1,0,0,0|1,0,0]=3 796 B12R0.277 CCOC(=O)CCCCCC(C)C Amb32660960 [0,1,1,0,0,0|2,0,0]=4 797 B12R0.285 CCCC(=O)OCCC(S)CCC Amb22168266 [0,1,1,0,0,0|0,0,0]=2 798 B12R0.126 CCCCCC(CC)NC(=O)CBr Amb17327787 [0,1,1,0,0,0|1,0,0]=3 799 B12R0.126 CCCCCC(CC)NC(=O)CCl Amb17333147 [0,1,1,0,0,0|1,0,0]=3 800 B12R0.202 CCCCCCC(CC)OC(C)=O Amb30867684 [0,1,1,0,0,0|0,0,0]=2 801 B12R0.256 CCCCCC(CCF)NC(C)=O Amb24096318 [0,1,1,0,0,0|1,0,0]=3 802 B12R0.642 CCCCCC(C)(CC)NC(C)=O Amb24072214 [0,1,1,0,0,0|1,0,0]=3 803 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [0,1,1,0,0,0|1,0,1]=4 804 B12R0.233 C=CCCCC(O)CCCC(=O)[O-] Amb32751163 [0,1,1,0,0,0|0,0,2]=4 805 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,1,1,0,0,0|0,0,2]=4 806 B12R0.95 CCCCC(=O)CCCCC(=O)O Amb6305232 [0,1,1,0,0,0|0,0,1]=3 807 B12R0.95 CCCCC(=O)NCCCC(=O)O Amb5741970 [0,1,1,0,0,0|1,0,1]=4 808 B12R0.119 CCCCCCCCCS(=O)(=O)Cl Amb22387375 [0,1,1,0,0,0|1,0,1]=4 809 B12R0.119 CCCCCCCCCS(=O)(=O)F Amb32755112 [0,1,1,0,0,0|1,0,1]=4 810 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] Amb8515940 [0,1,1,0,0,0|1,0,1]=4 811 B12R0.119 CCCCCCCCCS(N)(=O)=O Amb32715391 [0,1,1,0,0,0|1,0,1]=4 812 B12R0.184 CCC(=O)NCCCCCC(=O)O Amb1137874 [0,1,1,0,0,0|1,0,1]=4 813 B12R0.184 COC(=O)CCCCCCC(=O)O Amb3940370 [0,1,1,0,0,0|1,0,1]=4 814 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,1,0,0,0|0,0,1]=3 815 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,1,0,0,0|2,0,0]=4 816 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,1,0,0,0|2,0,0]=4 817 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [0,1,1,0,0,0|1,0,1]=4 818 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,1,0,0,0|0,0,1]=3 819 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,1,0,0,0|0,0,1]=3 820 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,1,0,0,0|2,0,0]=4 821 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,1,0,0,0|1,0,1]=4 822 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,1,0,0,0|1,0,0]=3 823 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,1,0,0,0|0,0,0]=2 824 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,1,0,0,0|1,0,0]=3 825 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,1,1,0,0,0|0,2,0]=4 826 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,1,0,0,0|1,0,0]=3 827 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,1,0,0,0|0,0,0]=2 828 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,1,1,0,0,0|0,0,1]=3 829 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,1,1,0,0,0|1,0,0]=3 830 B12R0.234 COCCOCCOCCC(=O)O Amb16184341 [0,1,1,0,0,0|2,0,0]=4 831 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,1,0,0,0|0,0,1]=3 832 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,1,0,0,0|0,0,0]=2 833 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,1,0,0,0|0,0,0]=2 834 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [0,1,1,0,0,0|2,0,0]=4 835 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [0,1,1,0,0,0|0,0,2]=4 836 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,1,0,0,0|0,0,0]=2 837 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,1,0,0,0|0,0,0]=2 838 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [0,1,1,0,0,0|1,0,1]=4 839 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,1,1,0,0,0|0,0,2]=4 840 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [0,1,1,0,0,0|1,0,1]=4 841 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [0,1,1,0,0,0|2,0,0]=4 842 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [0,1,1,0,0,0|2,0,0]=4 843 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [0,1,1,0,0,0|2,0,0]=4 844 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,1,0,0,0|0,0,2]=4 845 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [0,1,1,0,0,0|1,0,0]=3 846 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [0,1,1,0,0,0|0,0,0]=2 847 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,1,0,0,0|0,0,0]=2 848 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,1,0,0,0|1,0,1]=4 849 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,1,0,0,0|2,0,0]=4 850 B12R0.248 CCCCCCCCNC(=O)CCl Amb9786173 [0,1,1,0,0,0|2,0,0]=4 851 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,1,0,0,0|2,0,0]=4 852 B12R0.248 CCCCCCCCOC(=O)CN Amb2688623 [0,1,1,0,0,0|2,0,0]=4 853 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,1,0,0,0|2,0,0]=4 854 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,1,1,0,0,0|0,0,2]=4 855 B12R0.248 CCNCCOCCCC(=O)OC Amb18107249 [0,1,1,0,0,0|2,0,0]=4 856 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [0,1,1,0,0,0|1,0,1]=4 857 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [0,1,1,0,0,0|1,0,0]=3 858 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,1,0,0,0|1,0,0]=3 859 B12R0.248 COC(=O)CCCSCCCCN Amb17500973 [0,1,1,0,0,0|2,0,0]=4 860 B12R0.248 COCCCCCNCC(=O)OC Amb33133279 [0,1,1,0,0,0|2,0,0]=4 861 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O Amb33802212 [0,1,1,0,0,0|0,0,2]=4 862 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O Amb33802213 [0,1,1,0,0,0|0,0,2]=4 863 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [0,1,1,0,0,0|0,0,0]=2 864 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [0,1,1,0,0,0|0,0,0]=2 865 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [0,1,1,0,0,0|0,0,0]=2 866 B12R0.251 CCCCCCCCC(N)C(N)=O Amb32937043 [0,1,1,0,0,0|1,0,0]=3 867 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [0,1,1,0,0,0|0,0,0]=2 868 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,1,1,0,0,0|2,0,0]=4 869 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [0,1,1,0,0,0|0,0,0]=2 870 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [0,1,1,0,0,0|0,0,0]=2 871 B12R0.251 CCCCCCCSC(C)C(=O)O Amb7794235 [0,1,1,0,0,0|1,0,0]=3 872 B12R0.251 CCOCCOCCC(N)C(=O)O Amb19041139 [0,1,1,0,0,0|2,0,0]=4 873 B12R0.251 CCOCCOCC[C@@H](N)C(=O)O Amb33308864 [0,1,1,0,0,0|2,0,0]=4 874 B12R0.251 CCOCCOCC[C@H](N)C(=O)O Amb33066024 [0,1,1,0,0,0|2,0,0]=4 875 B12R0.251 COCCCOCCC(N)C(=O)O Amb19041138 [0,1,1,0,0,0|2,0,0]=4 876 B12R0.251 COCCCOCC[C@@H](N)C(=O)O Amb33036667 [0,1,1,0,0,0|2,0,0]=4 877 B12R0.251 COCCCOCC[C@H](N)C(=O)O Amb33308728 [0,1,1,0,0,0|2,0,0]=4 878 B12R0.251 COCCOCCCC(N)C(=O)O Amb33036966 [0,1,1,0,0,0|2,0,0]=4 879 B12R0.251 COCCOCCC[C@@H](N)C(=O)O Amb33308666 [0,1,1,0,0,0|2,0,0]=4 880 B12R0.251 COCCOCCC[C@H](N)C(=O)O Amb33034716 [0,1,1,0,0,0|2,0,0]=4 881 B12R0.251 NCCCCNCC[C@@H](N)C(=O)O Amb31031097 [0,1,1,0,0,0|2,0,0]=4 882 B12R0.251 NCCCNCCC[C@@H](N)C(=O)O Amb31031096 [0,1,1,0,0,0|2,0,0]=4 883 B12R0.255 CCCCCCC(=O)NCC(=O)O Amb9013683 [0,1,1,0,0,0|1,0,1]=4 884 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [0,1,1,0,0,0|0,0,0]=2 885 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb19149307 [0,1,1,0,0,0|0,0,1]=3 886 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb31145472 [0,1,1,0,0,0|0,0,1]=3 887 B12R0.255 COCCCCN(C)CCC(=O)O Amb33339167 [0,1,1,0,0,0|2,0,0]=4 888 B12R0.268 C=C(F)CCCCCCCC(=O)O Amb22641501 [0,1,1,0,0,0|0,0,2]=4 889 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [0,1,1,0,0,0|0,0,1]=3 890 B12R0.268 CC(C)CCCCCCCC(=O)O Amb24117911 [0,1,1,0,0,0|0,0,0]=2 891 B12R0.268 CC(C)CCOCCCCC(=O)O Amb9207788 [0,1,1,0,0,0|1,0,0]=3 892 B12R0.268 CC(C)SCCCCCCC(=O)O Amb32410629 [0,1,1,0,0,0|1,0,0]=3 893 B12R0.268 O=C(O)CCCCCCCC(=O)O Amb33550139 [0,1,1,0,0,0|1,0,1]=4 894 B12R0.113 CCCCCCC(C)NC(=O)CCl Amb1156522 [0,1,1,0,0,0|2,0,0]=4 895 B12R0.113 CCCCCCC(C)OC(=O)CCl Amb21858582 [0,1,1,0,0,0|1,0,0]=3 896 B12R0.113 CCCCCNC(C)CC(=O)OC Amb9398427 [0,1,1,0,0,0|2,0,0]=4 897 B12R0.123 CCCNCC(C)OC(=O)C(C)C Amb18265763 [0,1,1,0,0,0|1,0,0]=3 898 B12R0.240 CC(C)CCCC(C)NC(=O)CCl Amb1156521 [0,1,1,0,0,0|2,0,0]=4 899 B12R0.657 CCCCCC(C)(N)CC(=O)OC Amb33308395 [0,1,1,0,0,0|2,0,0]=4 900 B12R1.17 CCCC(=O)C1CCCC(=O)C1 Amb27264763 [1,1,0,0,0,0|1,0,1]=4 901 B12R1.17 CCCC(C)C1CC(=O)CCO1 Amb28145719 [1,1,0,0,0,0|2,0,0]=4 902 B12R1.17 CCCC(C)C1CCCC(=O)C1 Amb27434180 [1,1,0,0,0,0|1,0,0]=3 903 B12R1.17 CCCN(C)C1CCCC(=O)C1 Amb27799381 [1,1,0,0,0,0|2,0,0]=4 904 B12R1.17 CCCS(=O)C1CCCC(=O)C1 Amb27622604 [1,1,0,0,0,0|2,0,0]=4 905 B12R1.25 CCCCC1=C(C)C(=O)CCC1 Amb27177753 [1,1,0,0,0,0|1,0,1]=4 906 B12R1.25 CCCCC1=C(O)C(=O)CCC1 Amb27954094 [1,1,0,0,0,0|1,0,1]=4 907 B12R1.25 CCCCC1CCCC(=O)C1C Amb27177608 [1,1,0,0,0,0|1,0,0]=3 908 B12R1.25 CCCCN1CCCC(=O)C1=O Amb27177698 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.25 CCCC[C@@H]1CCCC(=O)[C@@H]1C Amb28052225 [1,1,0,0,0,0|1,0,0]=3 910 B12R1.50 CCC(C)CC1=CC(=O)CCC1 Amb27759127 [1,1,0,0,0,0|1,0,1]=4 911 B12R1.50 CCC(O)CN1CCCC(=O)C1 Amb28048452 [1,1,0,0,0,0|2,0,0]=4 912 B12R1.50 CCN(C)CC1CCCC(=O)C1 Amb30013873 [1,1,0,0,0,0|2,0,0]=4 913 B12R1.50 CCS(=O)CC1CCCC(=O)C1 Amb30013483 [1,1,0,0,0,0|2,0,0]=4 914 B12R1.100 C=CCC[C@@H]1C[C@@H](O)CC(=O)O1 Amb27443210 [1,1,0,0,0,0|0,0,2]=4 915 B12R1.100 CCCC[C@@H]1CC(=O)C[C@@H](C)C1 Amb27844192 [1,1,0,0,0,0|1,0,0]=3 916 B12R1.226 C=C(C)CCC1CCCC(=O)C1 Amb27847339 [1,1,0,0,0,0|1,0,1]=4 917 B12R1.226 CC(=O)CCC1CCCC(=O)C1 Amb28202303 [1,1,0,0,0,0|1,0,1]=4 918 B12R1.226 CC(C)CCC1=CC(=O)CCC1 Amb28078037 [1,1,0,0,0,0|1,0,1]=4 919 B12R1.226 CC(C)CCN1CCCC(=O)C1 Amb28140136 [1,1,0,0,0,0|2,0,0]=4 920 B12R1.226 CC(C)CC[C@H]1CCCC(=O)C1 Amb28253824 [1,1,0,0,0,0|1,0,0]=3 921 B12R1.226 CC(C)NCC1CCCC(=O)N1 Amb27753678 [1,1,0,0,0,0|2,0,0]=4 922 B12R1.226 CC(C)OCC1CCCC(=O)N1 Amb27221116 [1,1,0,0,0,0|2,0,0]=4 923 B12R1.226 CC(C)SCC1CCCC(=O)C1 Amb35699381 [1,1,0,0,0,0|2,0,0]=4 924 B12R1.226 CS(=O)CCC1CCCC(=O)C1 Amb28058651 [1,1,0,0,0,0|2,0,0]=4 925 B12R1.374 CC1CCC(=O)CC1CCCN Amb32865380 [1,1,0,0,0,0|2,0,0]=4 926 B12R1.374 CC1CCC(=O)CC1CCCO Amb32865379 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.374 CCCCC1=CC(=O)CCC1C Amb27486087 [1,1,0,0,0,0|1,0,1]=4 928 B12R1.374 CCCCC1CC(=O)CCC1C Amb25735768 [1,1,0,0,0,0|1,0,0]=3 929 B12R1.374 CCCOC1CC(=O)CCC1C Amb32867559 [1,1,0,0,0,0|2,0,0]=4 930 B12R1.374 CCCSC1CC(=O)CCC1C Amb32867514 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.374 CCOCC1CC(=O)CCC1C Amb32865288 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.374 COCCC1CC(=O)CCC1C Amb32865392 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.385 COCCC1CCC(C)C(=O)C1 Amb28122462 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.2277 CCCCC1(C)COCC(=O)N1 Amb28384296 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.2277 CCCCC1(O)CCOC(=O)C1 Amb27495709 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.2277 CCCC[C@]1(C)CCCC(=O)C1 Amb27954111 [1,1,0,0,0,0|1,0,0]=3 937 B12R1.1 CCCCCC1CC=C(Br)CC1 Amb22001437 [1,1,0,0,0,0|1,0,1]=4 938 B12R1.1 CCCCCC1CCC(O)CC1 Amb16203683 [1,1,0,0,0,0|1,0,1]=4 939 B12R1.8 BrCCCCOC1CCCCO1 Amb10605338 [1,1,0,0,0,0|1,0,1]=4 940 B12R1.8 BrCCCOCC1CCCCO1 Amb9209734 [1,1,0,0,0,0|1,0,1]=4 941 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [1,1,0,0,0,0|1,0,1]=4 942 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [1,1,0,0,0,0|1,0,1]=4 943 B12R1.8 CCCCCCC1CCCCN1 Amb3788214 [1,1,0,0,0,0|1,0,1]=4 944 B12R1.8 CCCCCCC1CCCNC1 Amb22642853 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.8 CCCCCNC1CCCSC1 Amb19059613 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.8 CCCCOCC1CCCCN1 Amb18802453 [1,1,0,0,0,0|1,0,1]=4 947 B12R1.8 CCCCOCC1CCCNC1 Amb18802451 [1,1,0,0,0,0|2,0,0]=4 948 B12R1.8 CCCC\C=C\C1C=CCCC1 Amb22546770 [1,1,0,0,0,0|1,0,1]=4 949 B12R1.8 CCCSCCC1CCCCN1 Amb17503510 [1,1,0,0,0,0|1,0,1]=4 950 B12R1.8 ClCCCCOC1CCCCO1 Amb3940864 [1,1,0,0,0,0|1,0,1]=4 951 B12R1.8 ICCCCOC1CCCCO1 Amb22055542 [1,1,0,0,0,0|1,0,1]=4 952 B12R1.8 NCCCCCC1CCCCC1 Amb18825833 [1,1,0,0,0,0|1,0,1]=4 953 B12R1.27 CC(CBr)CCC1CCCCO1 Amb32690657 [1,1,0,0,0,0|1,0,1]=4 954 B12R1.27 CC(CCl)CCC1CCCCO1 Amb32690656 [1,1,0,0,0,0|1,0,1]=4 955 B12R1.27 CCC(N)CCC1CCCCC1 Amb13951692 [1,1,0,0,0,0|1,0,1]=4 956 B12R1.27 CCC(N)CCC1CCCCC1 Amb9031875 [1,1,0,0,0,0|1,0,1]=4 957 B12R1.30 CCCCC(O)C1CCCCC1 Amb4014493 [1,1,0,0,0,0|1,0,1]=4 958 B12R1.32 CCCC(C)CC1CCCNC1 Amb33475063 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.252 CC(C)CCCC1CCCCN1 Amb28991196 [1,1,0,0,0,0|1,0,1]=4 960 B12R1.252 CC(C)CCCC1CCCCN1 Amb5718406 [1,1,0,0,0,0|1,0,1]=4 961 B12R1.252 CC(C)CCCC1CCCNC1 Amb22642856 [1,1,0,0,0,0|2,0,0]=4 962 B12R1.252 CC(C)CCCC1CCCNC1 Amb35745624 [1,1,0,0,0,0|2,0,0]=4 963 B12R1.252 CC(N)CCCC1CCCCC1 Amb33079349 [1,1,0,0,0,0|1,0,1]=4 964 B12R1.252 CC(O)CCCC1CCCCC1 Amb33449617 [1,1,0,0,0,0|1,0,1]=4 965 B12R1.252 C[C@@H](N)CCCC1CCCCC1 Amb33422428 [1,1,0,0,0,0|1,0,1]=4 966 B12R1.252 C[C@@H](O)CCCC1CCCCC1 Amb33422430 [1,1,0,0,0,0|1,0,1]=4 967 B12R1.252 C[C@H](N)CCCC1CCCCC1 Amb33422427 [1,1,0,0,0,0|1,0,1]=4 968 B12R1.252 C[C@H](O)CCCC1CCCCC1 Amb33422431 [1,1,0,0,0,0|1,0,1]=4 969 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.267 CCCCCC1CCCCC1O Amb18806707 [1,1,0,0,0,0|1,0,1]=4 971 B12R1.267 CCCCC[C@@H]1CCCC[C@H]1O Amb32944228 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.1997 CCCCCC1(C)CNCCO1 Amb32430493 [1,1,0,0,0,0|1,0,1]=4 973 B12R1.1997 CCCCCC1(O)CCCNC1 Amb33360992 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [0,1,0,0,1,0|0,0,1]=3 975 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [0,1,0,0,1,0|0,0,0]=2 976 B12R1.29 CCCNC(=O)C1CCC(=O)O1 Amb27833343 [0,1,0,0,1,0|1,0,1]=4 977 B12R1.105 CC(C)CNCC1CCC(=O)N1 Amb33230940 [0,1,0,0,1,0|2,0,0]=4 978 B12R1.457 CCC\C=C\C1CC(Cl)C(=O)O1 Amb27964526 [0,1,0,0,1,0|0,0,2]=4 979 B12R1.457 CCC\C=C\[C@@H]1C[C@@H](O)C(=O)O1 Amb28455684 [0,1,0,0,1,0|0,0,2]=4 980 B12R1.130 CC(=O)NCCC1CCCC1=O Amb27793453 [0,1,0,0,1,0|1,0,1]=4 981 B12R1.130 CC(C)=CCCC1CCCC1=O Amb30023716 [0,1,0,0,1,0|0,0,2]=4 982 B12R1.130 CC(C)CCCC1CCCC1O Amb32945000 [0,1,0,0,1,0|0,0,2]=4 983 B12R1.130 CC(C)CCC[C@@H]1CCC[C@H]1O Amb32944687 [0,1,0,0,1,0|0,0,2]=4 984 B12R1.130 CC(N)CCCC1CCCN1C Amb33320730 [0,1,0,0,1,0|2,0,0]=4 985 B12R1.130 CC(O)CCCC1CCCN1C Amb33320729 [0,1,0,0,1,0|2,0,0]=4 986 B12R1.130 CC(O)\C=C/CC1CCCC1=O Amb28202018 [0,1,0,0,1,0|0,0,2]=4 987 B12R1.130 CC(O)\C=C\CC1CCCC1=O Amb28052243 [0,1,0,0,1,0|0,0,2]=4 988 B12R1.130 CN(C)CCCN1CCCC1=O Amb24080513 [0,1,0,0,1,0|2,0,0]=4 989 B12R1.130 C[C@@H](N)CCCC1CCCN1C Amb33320725 [0,1,0,0,1,0|2,0,0]=4 990 B12R1.130 C[C@@H](O)CCCC1CCCN1C Amb33320726 [0,1,0,0,1,0|2,0,0]=4 991 B12R1.130 C[C@H](N)CCCC1CCCN1C Amb33320724 [0,1,0,0,1,0|2,0,0]=4 992 B12R1.130 C[C@H](O)CCCC1CCCN1C Amb33320727 [0,1,0,0,1,0|2,0,0]=4 993 B12R1.318 CCCC(C)CC1CCCC1O Amb18806726 [0,1,0,0,1,0|0,0,2]=4 994 B12R1.318 CCCC(C)C[C@@H]1CCC[C@H]1O Amb32950721 [0,1,0,0,1,0|0,0,2]=4 995 B12R1.318 CCCC(C)\C=C1/CCCC1=O Amb28324420 [0,1,0,0,1,0|0,0,2]=4 996 B12R1.318 CCOC(=O)CC1CCCC1=O Amb9785151 [0,1,0,0,1,0|1,0,1]=4 997 B12R1.318 CNCC(O)CN1CCCC1=O Amb6678516 [0,1,0,0,1,0|2,0,0]=4 998 B12R1.353 COC(=O)CCC1CCCC1=O Amb17400325 [0,1,0,0,1,0|1,0,1]=4 999 B12R1.372 CCCCCCC1=CCCC1=O Amb533163 [0,1,0,0,1,0|0,0,2]=4 1000 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,1,0,0,1,0|0,0,0]=2 1001 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,1,0,0,1,0|1,0,0]=3 1002 B12R1.372 CCCCCOC1CCCC1Br Amb33129925 [0,1,0,0,1,0|1,0,1]=4 1003 B12R1.372 CCCCCOC1CCCC1I Amb33348895 [0,1,0,0,1,0|1,0,1]=4 1004 B12R1.372 CCOCCCN1CCNC1=O Amb32427138 [0,1,0,0,1,0|2,0,0]=4 1005 B12R1.372 CN1CCCC1CCCCCN Amb33320356 [0,1,0,0,1,0|2,0,0]=4 1006 B12R1.460 CCCC\C(C)=C1/CCCC1=O Amb28202040 [0,1,0,0,1,0|0,0,2]=4 1007 B12R1.460 CCCC\C(N)=C1/CCCC1=O Amb27432668 [0,1,0,0,1,0|0,0,2]=4 1008 B12R1.460 COCCC(=O)C1CCCC1=O Amb18801757 [0,1,0,0,1,0|1,0,1]=4 1009 B12R1.567 CCC#CCC1C(=O)CCC1C Amb27861242 [0,1,0,0,1,0|0,0,2]=4 1010 B12R1.567 CCC#CC[C@@H]1C(=O)CC[C@@H]1C Amb27253599 [0,1,0,0,1,0|0,0,2]=4 1011 B12R1.567 CCCCCC1=C(C)CCC1=O Amb4494843 [0,1,0,0,1,0|0,0,2]=4 1012 B12R1.567 CCCCCC1C(=O)CCC1=O Amb17594210 [0,1,0,0,1,0|0,0,1]=3 1013 B12R1.3204 C#CCCCC1(O)CCCC1=O Amb27176128 [0,1,0,0,1,0|0,0,2]=4 1014 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [0,2,0,0,0,0|0,0,0]=2 1015 B14R1.26 N#CCCCCCC1CCCC(=O)C1 Amb6302010 [0,2,0,0,0,0|1,0,0]=3 1016 B14R1.148 CC(C)CCOCC1CCNC(=O)C1 Amb32654951 [0,2,0,0,0,0|2,0,0]=4 1017 B14R1.1025 CCC(C)COCC1CCNC(=O)C1 Amb32654955 [0,2,0,0,0,0|2,0,0]=4 1018 B14R1.1025 COC(=O)CCCC1CCCC(=O)C1 Amb32661190 [0,2,0,0,0,0|1,0,1]=4 1019 B14R1.294 CCC(C)(C)NCC1CCCC(=O)N1 Amb32721826 [0,2,0,0,0,0|2,0,0]=4 1020 B14R1.547 CCC(CC)NCC1CCCC(=O)N1 Amb32721824 [0,2,0,0,0,0|2,0,0]=4 1021 B14R1.687 CC(C)=CCCC1CCC(O)C(=O)O1 Amb27978333 [0,2,0,0,0,0|0,0,2]=4 1022 B12R1.51 CCCC(=O)OCC1CCCO1 Amb15692559 [0,0,1,1,0,0|1,0,0]=3 1023 B12R1.51 CCCC(=O)OCC1OCCO1 Amb27414367 [0,0,1,1,0,0|2,0,0]=4 1024 B12R1.51 CNCC(=O)CCC1CCCC1 Amb32953764 [0,0,1,1,0,0|2,0,0]=4 1025 B12R1.51 NCCC(=O)CCC1CCCC1 Amb33171639 [0,0,1,1,0,0|2,0,0]=4 1026 B12R1.51 O=C(CCBr)NCC1CCCC1 Amb17322987 [0,0,1,1,0,0|2,0,0]=4 1027 B12R1.69 CCCCN1CCC(=O)CC1C Amb18793492 [0,0,1,1,0,0|2,0,0]=4 1028 B12R1.141 CC1CCCCCCCC(=O)N1 Amb27616243 [0,0,1,1,0,0|2,0,0]=4 1029 B12R1.141 O=C1CCCCCCCC(O)C1 Amb27262870 [0,0,1,1,0,0|2,0,0]=4 1030 B12R1.141 O=C1CCCCCCOC(=O)C1 Amb27177481 [0,0,1,1,0,0|1,0,1]=4 1031 B12R1.154 O=C1CCCC(O)CCCCO1 Amb27853898 [0,0,1,1,0,0|1,0,0]=3 1032 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,1,1,0,0|1,0,0]=3 1033 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,1,1,0,0|1,0,0]=3 1034 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,1,1,0,0|2,0,0]=4 1035 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,1,1,0,0|2,0,0]=4 1036 B12R1.308 CC1CCCCN1C(=O)CCBr Amb17331766 [0,0,1,1,0,0|2,0,0]=4 1037 B12R1.308 CC1CCCCN1C(=O)CCCl Amb1138698 [0,0,1,1,0,0|2,0,0]=4 1038 B12R1.308 CC1CCCCN1C(=O)CCN Amb9711823 [0,0,1,1,0,0|2,0,0]=4 1039 B12R1.308 CCCC(=N)N1CCCCC1C Amb28365616 [0,0,1,1,0,0|2,0,0]=4 1040 B12R1.308 CCCC(=O)C1CCCCC1C Amb27177828 [0,0,1,1,0,0|1,0,0]=3 1041 B12R1.308 CCCC(=O)C1CCCCN1C Amb35598084 [0,0,1,1,0,0|2,0,0]=4 1042 B12R1.308 CCCC(=O)C1CCOCC1C Amb27187567 [0,0,1,1,0,0|2,0,0]=4 1043 B12R1.308 CCCC(=O)C1CNCCC1C Amb35640197 [0,0,1,1,0,0|2,0,0]=4 1044 B12R1.308 CCCC(=O)N1CCNCC1C Amb18963025 [0,0,1,1,0,0|2,0,0]=4 1045 B12R1.308 CCCC(=O)N1CCNC[C@@H]1C Amb27662955 [0,0,1,1,0,0|2,0,0]=4 1046 B12R1.308 CCCC(=O)N1CCNC[C@H]1C Amb27951313 [0,0,1,1,0,0|2,0,0]=4 1047 B12R1.308 CCCC(=O)N1CCOCC1C Amb24388054 [0,0,1,1,0,0|2,0,0]=4 1048 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C Amb35675840 [0,0,1,1,0,0|2,0,0]=4 1049 B12R1.308 CCNC(=O)N1CCCCC1C Amb28382895 [0,0,1,1,0,0|2,0,0]=4 1050 B12R1.308 CNCC(=O)N1CCCCC1C Amb6271381 [0,0,1,1,0,0|2,0,0]=4 1051 B12R1.316 CCCC(=O)N1CCCC1CO Amb17102426 [0,0,1,1,0,0|2,0,0]=4 1052 B12R1.316 CCCC(=O)N1CCC[C@H]1CBr Amb17103863 [0,0,1,1,0,0|2,0,0]=4 1053 B12R1.316 CCCC(=O)N1CCC[C@H]1CCl Amb17103491 [0,0,1,1,0,0|2,0,0]=4 1054 B12R1.316 CCCC(=O)N1CCC[C@H]1CN Amb17046513 [0,0,1,1,0,0|2,0,0]=4 1055 B12R1.348 CCCCC1CCNC(=O)CC1 Amb28129642 [0,0,1,1,0,0|2,0,0]=4 1056 B12R1.923 NCCCCCNC(=O)C1CC1 Amb18103188 [0,0,1,1,0,0|2,0,0]=4 1057 B12R1.1564 CCCC(=O)C1CCCSCC1 Amb30030466 [0,0,1,1,0,0|2,0,0]=4 1058 B12R1.1564 CCCC(=O)N1CCCCCC1 Amb5797569 [0,0,1,1,0,0|1,0,0]=3 1059 B12R1.1564 CCCC(=O)N1CCCNCC1 Amb6252572 [0,0,1,1,0,0|2,0,0]=4 1060 B12R1.1564 CCNC(=O)C1CCCCCC1 Amb28399090 [0,0,1,1,0,0|2,0,0]=4 1061 B12R1.1564 CCOC(=O)C1CCCCCC1 Amb18801871 [0,0,1,1,0,0|2,0,0]=4 1062 B12R1.1564 CCOC(=O)N1CCCCCC1 Amb6558184 [0,0,1,1,0,0|2,0,0]=4 1063 B12R1.1564 CCSC(=O)N1CCCCCC1 Amb22234880 [0,0,1,1,0,0|2,0,0]=4 1064 B12R1.1564 CNCC(=O)C1CCCCCC1 Amb25968711 [0,0,1,1,0,0|2,0,0]=4 1065 B12R1.1564 CNCC(=O)N1CCCCCC1 Amb6278982 [0,0,1,1,0,0|2,0,0]=4 1066 B12R1.1564 COCC(=O)C1CCCCCC1 Amb28040850 [0,0,1,1,0,0|2,0,0]=4 1067 B12R1.1564 COCC(=O)N1CCCCCC1 Amb8335308 [0,0,1,1,0,0|2,0,0]=4 1068 B12R1.1564 CSCC(=O)N1CCCCCC1 Amb8336388 [0,0,1,1,0,0|2,0,0]=4 1069 B12R1.1564 NCCC(=O)C1CCCCCC1 Amb25041558 [0,0,1,1,0,0|2,0,0]=4 1070 B12R1.1564 NCCC(=O)N1CCCCCC1 Amb1137122 [0,0,1,1,0,0|2,0,0]=4 1071 B12R1.1564 NCCC(=O)N1CCCCCC1 Amb21958370 [0,0,1,1,0,0|2,0,0]=4 1072 B12R1.1564 O=C(CCBr)N1CCCCCC1 Amb17323502 [0,0,1,1,0,0|2,0,0]=4 1073 B12R1.1564 O=C(CCCl)N1CCCCCC1 Amb33543170 [0,0,1,1,0,0|2,0,0]=4 1074 B12R1.1564 O=C(CCO)N1CCCCCC1 Amb17334849 [0,0,1,1,0,0|2,0,0]=4 1075 B12R1.4 CC(=O)NC1CCC(CBr)CC1 Amb27952419 [0,0,1,1,0,0|2,0,0]=4 1076 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CO)CC1 Amb28122008 [0,0,1,1,0,0|2,0,0]=4 1077 B12R1.4 CC(=O)N[C@H]1CC[C@H](CO)CC1 Amb27211508 [0,0,1,1,0,0|2,0,0]=4 1078 B12R1.4 CC(=O)OC1CCC(C=O)CC1 Amb26626079 [0,0,1,1,0,0|1,0,1]=4 1079 B12R1.4 CC(=O)OC1CCC(CCl)CO1 Amb28365653 [0,0,1,1,0,0|2,0,0]=4 1080 B12R1.4 CC(=O)O[C@@H]1CC[C@@H](CO)OC1 Amb28065351 [0,0,1,1,0,0|2,0,0]=4 1081 B12R1.4 CC(=O)O[C@H]1CC[C@H](C=O)CC1 Amb27830043 [0,0,1,1,0,0|1,0,1]=4 1082 B12R1.4 CCC1CCC(CC(=O)O)CC1 Amb6749257 [0,0,1,1,0,0|2,0,0]=4 1083 B12R1.4 CCC1CCC(CC(C)=O)CC1 Amb27450581 [0,0,1,1,0,0|1,0,0]=3 1084 B12R1.4 CCC1CCC(NC(=O)Cl)CC1 Amb35625663 [0,0,1,1,0,0|2,0,0]=4 1085 B12R1.4 CCC1CCC(OC(C)=O)CC1 Amb27871434 [0,0,1,1,0,0|0,0,0]=2 1086 B12R1.4 CCC1CCN(CC(C)=O)CC1 Amb18789065 [0,0,1,1,0,0|2,0,0]=4 1087 B12R1.4 CNC1CCC(NC(C)=O)CC1 Amb9518097 [0,0,1,1,0,0|2,0,0]=4 1088 B12R1.4 CN[C@H]1CC[C@H](NC(C)=O)CC1 Amb22802309 [0,0,1,1,0,0|2,0,0]=4 1089 B12R1.4 COC1CCC(OC(=O)Cl)CC1 Amb33297401 [0,0,1,1,0,0|2,0,0]=4 1090 B12R1.4 CSC1CCC(NC(C)=O)CC1 Amb27457478 [0,0,1,1,0,0|2,0,0]=4 1091 B12R1.4 NC(=O)OC1CCC(CCl)CC1 Amb27245549 [0,0,1,1,0,0|2,0,0]=4 1092 B12R1.210 CC(=O)CC1CCCCCC1Cl Amb28047319 [0,0,1,1,0,0|2,0,0]=4 1093 B12R1.210 CC(=O)CC1CCCCCN1C Amb27458157 [0,0,1,1,0,0|2,0,0]=4 1094 B12R1.210 CC(=O)C[C@H]1CCCCC[C@@H]1Cl Amb27844358 [0,0,1,1,0,0|2,0,0]=4 1095 B12R1.210 CC(=O)NC1CCCCCC1Br Amb28370391 [0,0,1,1,0,0|2,0,0]=4 1096 B12R1.210 CC(=O)NC1CCCCCC1C Amb27489458 [0,0,1,1,0,0|1,0,0]=3 1097 B12R1.210 CC(=O)NC1CCCCCC1N Amb27266098 [0,0,1,1,0,0|2,0,0]=4 1098 B12R1.210 CC(=O)O[C@@H]1CCCCCC1=O Amb27177916 [0,0,1,1,0,0|1,0,1]=4 1099 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [0,0,1,1,0,0|1,0,1]=4 1100 B12R1.210 CC1CCCCCC1CC(=O)O Amb29865063 [0,0,1,1,0,0|2,0,0]=4 1101 B12R1.210 CC1CCCCCC1NC(=O)Cl Amb35633242 [0,0,1,1,0,0|2,0,0]=4 1102 B12R1.224 CC(=O)OC1CCCC(C)C1=O Amb28381158 [0,0,1,1,0,0|1,0,1]=4 1103 B12R1.224 CC(=O)OC1CCCC(C)C1C Amb27660600 [0,0,1,1,0,0|0,0,0]=2 1104 B12R1.224 CC(=O)OC1CCCC(C)C1O Amb27604492 [0,0,1,1,0,0|1,0,0]=3 1105 B12R1.224 CC(=O)OC1CCCC(O)C1C Amb27665428 [0,0,1,1,0,0|1,0,0]=3 1106 B12R1.224 CC(=O)O[C@H]1CCC[C@@H](C)C1=O Amb27844103 [0,0,1,1,0,0|1,0,1]=4 1107 B12R1.224 CC1CCCC(NC(=O)Cl)C1C Amb35637109 [0,0,1,1,0,0|2,0,0]=4 1108 B12R1.224 CC1CCCC(NC(N)=O)C1C Amb1105316 [0,0,1,1,0,0|2,0,0]=4 1109 B12R1.224 CC1CCCC(OC(=O)Cl)C1C Amb33297324 [0,0,1,1,0,0|1,0,0]=3 1110 B12R1.405 CC(=O)N1CCCCCC1CN Amb24671055 [0,0,1,1,0,0|2,0,0]=4 1111 B12R1.407 COC1CCCCCCC(=O)N1 Amb28184682 [0,0,1,1,0,0|2,0,0]=4 1112 B12R1.476 CC(=O)NC(CN)C1CCCC1 Amb27978644 [0,0,1,1,0,0|2,0,0]=4 1113 B12R1.476 CC(=O)OC(C#N)C1CCCC1 Amb27486197 [0,0,1,1,0,0|1,0,1]=4 1114 B12R1.476 CCC(CC(=O)O)C1CCCC1 Amb18825583 [0,0,1,1,0,0|2,0,0]=4 1115 B12R1.476 CCC(NC(=O)Cl)C1CCCC1 Amb35633468 [0,0,1,1,0,0|2,0,0]=4 1116 B12R1.476 CCC(NC(C)=O)C1CCOC1 Amb27187839 [0,0,1,1,0,0|2,0,0]=4 1117 B12R1.815 CCC1CCC(NC(=O)Cl)C1C Amb35633423 [0,0,1,1,0,0|2,0,0]=4 1118 B12R1.815 CCC1CCC(NC(C)=O)C1C Amb27625647 [0,0,1,1,0,0|1,0,0]=3 1119 B12R1.1020 CC(=N)NC1CCCC(C)CC1 Amb28366635 [0,0,1,1,0,0|2,0,0]=4 1120 B12R1.1020 CC1CCCC(CC(=O)O)CC1 Amb25150903 [0,0,1,1,0,0|2,0,0]=4 1121 B12R1.1020 CC1CCCC(NC(=O)Cl)CC1 Amb35633331 [0,0,1,1,0,0|2,0,0]=4 1122 B12R1.1392 CC(=O)C=C1CCCCCCC1 Amb28253982 [0,0,1,1,0,0|1,0,1]=4 1123 B12R1.1392 CC(=O)CC1CCCCCCN1 Amb27395289 [0,0,1,1,0,0|2,0,0]=4 1124 B12R1.1392 CC(=O)NC1CCCCCCC1 Amb5797421 [0,0,1,1,0,0|1,0,0]=3 1125 B12R1.1392 CC(=O)NC1CCCCCNC1 Amb32659965 [0,0,1,1,0,0|2,0,0]=4 1126 B12R1.1392 CC(=O)OC1=CCCCCCC1 Amb3994643 [0,0,1,1,0,0|0,0,2]=4 1127 B12R1.1392 CC(=O)OC1C=CCCCCC1 Amb6359572 [0,0,1,1,0,0|0,0,2]=4 1128 B12R1.1392 CC(=O)OC1CCCCCCC1 Amb4016350 [0,0,1,1,0,0|0,0,0]=2 1129 B12R1.1392 O=C(Cl)NC1CCCCCCC1 Amb35637075 [0,0,1,1,0,0|2,0,0]=4 1130 B12R1.1392 O=C(Cl)OC1CCCCCCC1 Amb27480779 [0,0,1,1,0,0|1,0,0]=3 1131 B12R1.1392 O=C(O)CC1CCCCCCC1 Amb6749259 [0,0,1,1,0,0|2,0,0]=4 1132 B12R1.3862 C#CC1(OC(C)=O)CCCCC1 Amb17670641 [0,0,1,1,0,0|0,0,2]=4 1133 B12R1.3862 CC(=O)NC1(CBr)CCCCC1 Amb27981009 [0,0,1,1,0,0|2,0,0]=4 1134 B12R1.3862 CC(=O)NC1(CCl)CCCCC1 Amb27801825 [0,0,1,1,0,0|2,0,0]=4 1135 B12R1.3862 CC(=O)NC1(CN)CCCCC1 Amb2606127 [0,0,1,1,0,0|2,0,0]=4 1136 B12R1.3862 CC(=O)NC1(CS)CCCCC1 Amb28243929 [0,0,1,1,0,0|2,0,0]=4 1137 B12R1.3862 CC(=O)OC1(C#N)CCCCC1 Amb4011623 [0,0,1,1,0,0|1,0,1]=4 1138 B12R1.3862 CCC1(NC(=O)Cl)CCCCC1 Amb35633518 [0,0,1,1,0,0|2,0,0]=4 1139 B12R1.3862 CCC1(NC(C)=O)CCCNC1 Amb33229105 [0,0,1,1,0,0|2,0,0]=4 1140 B12R1.3862 CCC1(NC(C)=O)CCOCC1 Amb27457326 [0,0,1,1,0,0|2,0,0]=4 1141 B12R1.3862 CCC1(OC(N)=O)CCCCC1 Amb27961976 [0,0,1,1,0,0|1,0,0]=3 1142 B12R1.1155 CCCN1CC(CCN)OC1=O Amb18825350 [0,0,1,1,0,0|2,0,0]=4 1143 B12R1.1155 CCCN1CC(CNC)OC1=O Amb31100640 [0,0,1,1,0,0|2,0,0]=4 1144 B12R1.1445 CCC[C@H]1CCC[C@H](N)C(=O)N1 Amb27419860 [0,0,1,1,0,0|2,0,0]=4 1145 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,1,1,0,0|1,0,1]=4 1146 B12R1.18 C#CCC[C@@H]1CCCCC[C@H]1O Amb32945566 [0,0,1,1,0,0|1,0,1]=4 1147 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [0,0,1,1,0,0|1,0,0]=3 1148 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [0,0,1,1,0,0|1,0,0]=3 1149 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,0,1,1,0,0|2,0,0]=4 1150 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,0,1,1,0,0|2,0,0]=4 1151 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [0,0,1,1,0,0|2,0,0]=4 1152 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,1,1,0,0|1,0,1]=4 1153 B12R1.18 CCCC[C@@H]1C=CCCC[C@H]1O Amb27443011 [0,0,1,1,0,0|1,0,0]=3 1154 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [0,0,1,1,0,0|1,0,1]=4 1155 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,1,1,0,0|2,0,0]=4 1156 B12R1.18 N#CCCC1CCCCCC1O Amb27587561 [0,0,1,1,0,0|1,0,1]=4 1157 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,0,1,1,0,0|0,0,2]=4 1158 B12R1.268 C=CCC1CC(N)CCC1CC Amb32866376 [0,0,1,1,0,0|2,0,0]=4 1159 B12R1.1631 C=CCCC1C(O)CCCC1O Amb27972471 [0,0,1,1,0,0|2,0,0]=4 1160 B12R1.1631 CCCCC1C(=O)CCCC1=O Amb26413895 [0,0,1,1,0,0|0,0,2]=4 1161 B12R1.1631 CCCCC1C(=O)CCC[C@@H]1C Amb27616853 [0,0,1,1,0,0|1,0,0]=3 1162 B12R1.1631 CCCCN1C(=O)CCCC1O Amb27588897 [0,0,1,1,0,0|1,0,0]=3 1163 B12R1.1631 CCCC[C@@H]1C(=O)CCC[C@@H]1C Amb27844215 [0,0,1,1,0,0|1,0,0]=3 1164 B12R1.1900 CC1CCCC(C)C(C=O)CC1 Amb27614689 [0,0,1,1,0,0|1,0,0]=3 1165 B12R1.75 CCC1CCCCC1CC(=O)O Amb25152261 [0,0,1,1,0,0|0,0,0]=2 1166 B12R1.75 CCC1CCCCC1CC(C)=O Amb27495385 [0,0,1,1,0,0|1,0,0]=3 1167 B12R1.75 CCC1CCCCC1NC(=O)Cl Amb35625776 [0,0,1,1,0,0|2,0,0]=4 1168 B12R1.75 CCC1CCCCC1OC(=O)Cl Amb27181224 [0,0,1,1,0,0|2,0,0]=4 1169 B12R1.75 CCC1CCCCC1OC(C)=O Amb27766398 [0,0,1,1,0,0|2,0,0]=4 1170 B12R1.75 CCC1CCCCN1CC(=O)Cl Amb17143064 [0,0,1,1,0,0|2,0,0]=4 1171 B12R1.75 CCC1CCCCN1CC(=O)O Amb5380767 [0,0,1,1,0,0|1,0,0]=3 1172 B12R1.75 CCC1CCCCN1CC(N)=O Amb17142913 [0,0,1,1,0,0|2,0,0]=4 1173 B12R1.75 CCC1CCCC\C1=C\C(=O)O Amb33468654 [0,0,1,1,0,0|0,0,2]=4 1174 B12R1.75 CCN1CCOCC1CC(=O)O Amb27814474 [0,0,1,1,0,0|2,0,0]=4 1175 B12R1.75 CCN1CCOCC1CC(=O)O Amb33330660 [0,0,1,1,0,0|2,0,0]=4 1176 B12R1.75 CCN1CCSCC1CC(=O)O Amb27952352 [0,0,1,1,0,0|2,0,0]=4 1177 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(=O)O Amb18198537 [0,0,1,1,0,0|1,0,0]=3 1178 B12R1.75 CC[C@H]1CNCC[C@H]1CC(=O)Cl Amb28291338 [0,0,1,1,0,0|2,0,0]=4 1179 B12R1.75 CC[C@H]1NCCC[C@@H]1CC(=O)O Amb27654051 [0,0,1,1,0,0|1,0,0]=3 1180 B12R1.75 COC1CCOCC1CC(=O)O Amb18197607 [0,0,1,1,0,0|2,0,0]=4 1181 B12R1.75 COC1CCSCC1CC(=O)O Amb18190928 [0,0,1,1,0,0|2,0,0]=4 1182 B12R1.75 COC1COCCC1CC(=O)O Amb18197629 [0,0,1,1,0,0|2,0,0]=4 1183 B12R1.75 COC1CSCCC1CC(=O)O Amb18189240 [0,0,1,1,0,0|2,0,0]=4 1184 B12R1.75 COC1OCCCC1CC(=O)O Amb18197635 [0,0,1,1,0,0|2,0,0]=4 1185 B12R1.75 N#CC1CCCCC1CC(=O)O Amb18827227 [0,0,1,1,0,0|1,0,1]=4 1186 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [0,0,1,1,0,0|1,0,0]=3 1187 B12R1.75 NCC1CCCCN1CC(=O)O Amb18982971 [0,0,1,1,0,0|2,0,0]=4 1188 B12R1.75 NNC1CCCCC1CC(=O)O Amb27960868 [0,0,1,1,0,0|2,0,0]=4 1189 B12R1.75 NN[C@H]1CCCC[C@H]1CC(=O)O Amb27789570 [0,0,1,1,0,0|2,0,0]=4 1190 B12R1.75 O=C(O)CC1CCCCC1CO Amb27392264 [0,0,1,1,0,0|1,0,0]=3 1191 B12R1.75 O=C(O)CN1CCCCC1CO Amb18294605 [0,0,1,1,0,0|2,0,0]=4 1192 B12R1.81 COC1CCCC1NCC(=O)O Amb18807777 [0,0,1,1,0,0|2,0,0]=4 1193 B12R1.81 NC[C@@H]1CCCN1CCC(=O)O Amb33218395 [0,0,1,1,0,0|2,0,0]=4 1194 B12R1.81 NC[C@H]1CCCN1CCC(=O)O Amb33218388 [0,0,1,1,0,0|2,0,0]=4 1195 B12R1.125 CC(=O)CCC1CCCCN1C Amb25034626 [0,0,1,1,0,0|2,0,0]=4 1196 B12R1.125 CC(=O)CCN1CCCCC1C Amb7755660 [0,0,1,1,0,0|2,0,0]=4 1197 B12R1.125 CC(O)CCC1CCCCC1C Amb27874287 [0,0,1,1,0,0|1,0,1]=4 1198 B12R1.125 CC1CCCCC1CNC(=O)Cl Amb35625849 [0,0,1,1,0,0|2,0,0]=4 1199 B12R1.125 CC1CCCCC1OCC(=O)O Amb9726703 [0,0,1,1,0,0|1,0,0]=3 1200 B12R1.125 CC1CCCCC1OCC(N)=O Amb18802286 [0,0,1,1,0,0|2,0,0]=4 1201 B12R1.125 CC1CCCCN1CCC(=O)Cl Amb17143073 [0,0,1,1,0,0|2,0,0]=4 1202 B12R1.125 CC1CCCCN1CCC(=O)O Amb21953915 [0,0,1,1,0,0|1,0,0]=3 1203 B12R1.125 CC1CCCCN1CCC(=O)O Amb2693037 [0,0,1,1,0,0|1,0,0]=3 1204 B12R1.125 CC1CCCCN1CCC(N)=O Amb17142919 [0,0,1,1,0,0|2,0,0]=4 1205 B12R1.125 CC1CCCC\C1=N/CC(=O)O Amb27400353 [0,0,1,1,0,0|1,0,1]=4 1206 B12R1.125 CC1CNCCC1CCC(=O)O Amb27858642 [0,0,1,1,0,0|1,0,0]=3 1207 B12R1.125 CC1CNCCC1NCC(=O)O Amb27597159 [0,0,1,1,0,0|2,0,0]=4 1208 B12R1.125 CC1SCCCC1OCC(=O)O Amb25117392 [0,0,1,1,0,0|2,0,0]=4 1209 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [0,0,1,1,0,0|1,0,0]=3 1210 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [0,0,1,1,0,0|1,0,0]=3 1211 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [0,0,1,1,0,0|1,0,0]=3 1212 B12R1.125 C[C@@H]1COCCN1CCC(=O)O Amb27863121 [0,0,1,1,0,0|2,0,0]=4 1213 B12R1.125 C[C@H]1CNCCN1CCC(=O)O Amb27217264 [0,0,1,1,0,0|2,0,0]=4 1214 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [0,0,1,1,0,0|1,0,0]=3 1215 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [0,0,1,1,0,0|1,0,0]=3 1216 B12R1.125 NC1CCCCC1OCC(=O)O Amb24488516 [0,0,1,1,0,0|2,0,0]=4 1217 B12R1.125 O=C(O)CCC1CCCCC1=O Amb2721886 [0,0,1,1,0,0|1,0,1]=4 1218 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [0,0,1,1,0,0|1,0,0]=3 1219 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [0,0,1,1,0,0|1,0,0]=3 1220 B12R1.125 O=C(O)CCC1CCNCC1F Amb27247564 [0,0,1,1,0,0|2,0,0]=4 1221 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [0,0,1,1,0,0|1,0,0]=3 1222 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [0,0,1,1,0,0|1,0,0]=3 1223 B12R1.125 O=C(O)CC[C@H]1NCCC[C@@H]1O Amb28244797 [0,0,1,1,0,0|2,0,0]=4 1224 B12R1.125 O=C(O)CSC1CCCCC1O Amb10808762 [0,0,1,1,0,0|2,0,0]=4 1225 B12R1.212 CC(=O)C1CCCCCCC1N Amb33447098 [0,0,1,1,0,0|2,0,0]=4 1226 B12R1.212 NC(=O)C1CCCCCCC1N Amb28292092 [0,0,1,1,0,0|2,0,0]=4 1227 B12R1.212 NC(=O)C1CCCCCCC1O Amb27178181 [0,0,1,1,0,0|2,0,0]=4 1228 B12R1.212 NC(=O)[C@@H]1CCCCCC[C@@H]1O Amb27974099 [0,0,1,1,0,0|2,0,0]=4 1229 B12R1.212 NC(=O)[C@H]1CCCCCC[C@@H]1O Amb28323009 [0,0,1,1,0,0|2,0,0]=4 1230 B12R1.212 NC1CCCCCCC1C(=O)O Amb20667806 [0,0,1,1,0,0|1,0,0]=3 1231 B12R1.212 NC1CCCCCCC1C(=O)O Amb22059713 [0,0,1,1,0,0|1,0,0]=3 1232 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1993853 [0,0,1,1,0,0|1,0,0]=3 1233 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1994005 [0,0,1,1,0,0|1,0,0]=3 1234 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O Amb1993854 [0,0,1,1,0,0|1,0,0]=3 1235 B12R1.255 CC(=O)CCCCC1CCCC1 Amb33448571 [0,0,1,1,0,0|1,0,0]=3 1236 B12R1.255 CC(=O)CCCCN1CCCC1 Amb9659031 [0,0,1,1,0,0|2,0,0]=4 1237 B12R1.255 CC(O)CCCCC1CCCC1 Amb33359674 [0,0,1,1,0,0|1,0,1]=4 1238 B12R1.255 C[C@@H](O)CCCCC1CCCC1 Amb33375589 [0,0,1,1,0,0|1,0,1]=4 1239 B12R1.255 C[C@H](O)CCCCC1CCCC1 Amb33375619 [0,0,1,1,0,0|1,0,1]=4 1240 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [0,0,1,1,0,0|0,0,0]=2 1241 B12R1.255 O=C(O)CCCCC1CCOC1 Amb33229236 [0,0,1,1,0,0|1,0,0]=3 1242 B12R1.255 O=C(O)CCCCC1CCSS1 Amb1152511 [0,0,1,1,0,0|2,0,0]=4 1243 B12R1.255 O=C(O)CCCCC1CSSC1 Amb33551319 [0,0,1,1,0,0|2,0,0]=4 1244 B12R1.255 O=C(O)CCCCC1OCCO1 Amb28079380 [0,0,1,1,0,0|2,0,0]=4 1245 B12R1.255 O=C(O)CCCCN1CCCC1 Amb33552798 [0,0,1,1,0,0|1,0,0]=3 1246 B12R1.255 O=C(O)CCCCN1CCCC1 Amb7783148 [0,0,1,1,0,0|1,0,0]=3 1247 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Amb553489 [0,0,1,1,0,0|2,0,0]=4 1248 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Amb17616537 [0,0,1,1,0,0|2,0,0]=4 1249 B12R1.255 O=C(O)CCNCC1CCCO1 Amb7755703 [0,0,1,1,0,0|2,0,0]=4 1250 B12R1.255 O=C(O)CCOCC1CCCO1 Amb6274081 [0,0,1,1,0,0|2,0,0]=4 1251 B12R1.255 O=C(O)CCSCC1CCCO1 Amb9723634 [0,0,1,1,0,0|2,0,0]=4 1252 B12R1.255 O=C(O)CNCCN1CCCC1 Amb9325920 [0,0,1,1,0,0|2,0,0]=4 1253 B12R1.255 O=C(O)COCCC1CCCC1 Amb32954482 [0,0,1,1,0,0|1,0,0]=3 1254 B12R1.255 O=C(O)COCCN1CCCC1 Amb33474001 [0,0,1,1,0,0|2,0,0]=4 1255 B12R1.255 O=C(O)CSCCN1CCCC1 Amb13949167 [0,0,1,1,0,0|2,0,0]=4 1256 B12R1.255 O=C(O)CSCCN1CCCC1 Amb6745649 [0,0,1,1,0,0|2,0,0]=4 1257 B12R1.255 O=C(O)\C=C\CCC1CCCC1 Amb33374577 [0,0,1,1,0,0|0,0,2]=4 1258 B12R1.255 O=[N+]([O-])CCCCC1CCCC1 Amb33380265 [0,0,1,1,0,0|1,0,1]=4 1259 B12R1.283 C=CCC1CCCCC1C(=O)O Amb18646999 [0,0,1,1,0,0|0,0,2]=4 1260 B12R1.283 CCCC1CCCCC1C(C)=O Amb27762565 [0,0,1,1,0,0|1,0,0]=3 1261 B12R1.283 CCCC1CCCNC1C(=O)O Amb27178215 [0,0,1,1,0,0|1,0,0]=3 1262 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [0,0,1,1,0,0|1,0,0]=3 1263 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [0,0,1,1,0,0|1,0,0]=3 1264 B12R1.283 CCCN1CCCCC1C(=O)O Amb33552437 [0,0,1,1,0,0|1,0,0]=3 1265 B12R1.283 CCCN1CCCCC1C(N)=O Amb26003555 [0,0,1,1,0,0|2,0,0]=4 1266 B12R1.283 CCCN1CCCC[C@H]1C(N)=O Amb28291427 [0,0,1,1,0,0|2,0,0]=4 1267 B12R1.283 CCCN1CCNCC1C(=O)O Amb18825347 [0,0,1,1,0,0|2,0,0]=4 1268 B12R1.283 CCO[C@@H]1CCCC[C@H]1C(C)=O Amb28248007 [0,0,1,1,0,0|2,0,0]=4 1269 B12R1.283 COCC1OCCCC1C(=O)O Amb27647224 [0,0,1,1,0,0|2,0,0]=4 1270 B12R1.283 O=C(O)[C@@H]1CCCCN1CCF Amb27757723 [0,0,1,1,0,0|2,0,0]=4 1271 B12R1.289 COCC1CCCN1CC(=O)O Amb21860507 [0,0,1,1,0,0|2,0,0]=4 1272 B12R1.321 CCCCC1CCCCC(=O)N1 Amb4011804 [0,0,1,1,0,0|1,0,0]=3 1273 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [0,0,1,1,0,0|0,0,0]=2 1274 B12R1.321 NCCCC1CCCCC(=O)N1 Amb18825523 [0,0,1,1,0,0|2,0,0]=4 1275 B12R1.321 O=C1CCCCC(CCCCl)O1 Amb27974145 [0,0,1,1,0,0|1,0,0]=3 1276 B12R1.321 O=C1CCCCC(CCCO)N1 Amb18825414 [0,0,1,1,0,0|2,0,0]=4 1277 B12R1.321 O=C1CCCCC(CCCO)O1 Amb27206114 [0,0,1,1,0,0|1,0,0]=3 1278 B12R1.384 CCCCC1CCCCC1(C)O Amb32945487 [0,0,1,1,0,0|1,0,1]=4 1279 B12R1.384 CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213620 [0,0,1,1,0,0|1,0,1]=4 1280 B12R1.390 O=C(O)CCCCOCC1CC1 Amb9207802 [0,0,1,1,0,0|1,0,0]=3 1281 B12R1.390 O=C(O)CNCCCCC1CC1 Amb32675856 [0,0,1,1,0,0|1,0,0]=3 1282 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [0,0,1,1,0,0|2,0,0]=4 1283 B12R1.1335 O=C(Cl)N1CCCCCCCC1 Amb27802970 [0,0,1,1,0,0|2,0,0]=4 1284 B12R1.1335 O=C(O)C1=CCCCCCCC1 Amb28325718 [0,0,1,1,0,0|0,0,2]=4 1285 B12R1.1335 O=C(O)C1CCCCCCCN1 Amb27171757 [0,0,1,1,0,0|1,0,0]=3 1286 B12R1.1343 CC(=O)CCC1CCCCCC1 Amb27468725 [0,0,1,1,0,0|1,0,0]=3 1287 B12R1.1343 CC(=O)CCN1CCCCCC1 Amb1136685 [0,0,1,1,0,0|2,0,0]=4 1288 B12R1.1343 CC(=O)NCC1CCCCCC1 Amb27208386 [0,0,1,1,0,0|2,0,0]=4 1289 B12R1.1343 CC(O)CCC1CCCCCC1 Amb26370751 [0,0,1,1,0,0|1,0,1]=4 1290 B12R1.1343 C[C@@H](O)CCC1CCCCCC1 Amb33267286 [0,0,1,1,0,0|1,0,1]=4 1291 B12R1.1343 C[C@H](O)CCC1CCCCCC1 Amb33267288 [0,0,1,1,0,0|1,0,1]=4 1292 B12R1.1343 NC(=O)CCN1CCCCCC1 Amb17142920 [0,0,1,1,0,0|2,0,0]=4 1293 B12R1.1343 NC(=O)CNC1CCCCCC1 Amb1114001 [0,0,1,1,0,0|2,0,0]=4 1294 B12R1.1343 O=C(Cl)NCC1CCCCCC1 Amb35625593 [0,0,1,1,0,0|2,0,0]=4 1295 B12R1.1343 O=C(O)C#CC1CCCCCC1 Amb24556561 [0,0,1,1,0,0|0,0,2]=4 1296 B12R1.1343 O=C(O)CCC1CCCCCC1 Amb18825578 [0,0,1,1,0,0|0,0,0]=2 1297 B12R1.1343 O=C(O)CCC1CCCCCN1 Amb18198528 [0,0,1,1,0,0|1,0,0]=3 1298 B12R1.1343 O=C(O)CCC1CCCNCC1 Amb18198557 [0,0,1,1,0,0|1,0,0]=3 1299 B12R1.1343 O=C(O)CCC1CCCOCC1 Amb18825358 [0,0,1,1,0,0|1,0,0]=3 1300 B12R1.1343 O=C(O)CCC1CCCSCC1 Amb18820668 [0,0,1,1,0,0|1,0,0]=3 1301 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb2721891 [0,0,1,1,0,0|1,0,0]=3 1302 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb33552757 [0,0,1,1,0,0|1,0,0]=3 1303 B12R1.1343 O=C(O)CCN1CCCNCC1 Amb2699587 [0,0,1,1,0,0|2,0,0]=4 1304 B12R1.1343 O=C(O)CCN1CCCSCC1 Amb18977928 [0,0,1,1,0,0|2,0,0]=4 1305 B12R1.1343 O=C(O)CNC1CCCCCC1 Amb8428138 [0,0,1,1,0,0|1,0,0]=3 1306 B12R1.1343 O=C(O)CNC1CCCNCC1 Amb27449632 [0,0,1,1,0,0|2,0,0]=4 1307 B12R1.1343 O=C(O)CNC1CCCSCC1 Amb35700457 [0,0,1,1,0,0|2,0,0]=4 1308 B12R1.1343 O=C(O)COC1CCCCCC1 Amb18972071 [0,0,1,1,0,0|1,0,0]=3 1309 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [0,0,1,1,0,0|0,0,2]=4 1310 B12R1.1343 O=[N+]([O-])CCC1CCCCCC1 Amb33268613 [0,0,1,1,0,0|1,0,1]=4 1311 B12R1.1755 CCCCCC[C@@H]1C[C@H]1C(=O)O Amb33098453 [0,0,1,1,0,0|0,0,0]=2 1312 B12R1.1755 CCCCCC[C@H]1C[C@H]1C(=O)O Amb33098421 [0,0,1,1,0,0|0,0,0]=2 1313 B12R1.15 CC(NC(=O)CS)C1CCCC1 Amb27173554 [0,0,1,1,0,0|2,0,0]=4 1314 B12R1.15 CNC(=O)NC(C)C1CCCC1 Amb27416499 [0,0,1,1,0,0|2,0,0]=4 1315 B12R1.15 COC(=O)NC(C)C1CCCC1 Amb27762139 [0,0,1,1,0,0|2,0,0]=4 1316 B12R1.15 C[C@H](NC(=O)CN)C1CCCC1 Amb28056796 [0,0,1,1,0,0|2,0,0]=4 1317 B12R1.61 CCC(=O)NC1CCC(CN)C1 Amb27190547 [0,0,1,1,0,0|2,0,0]=4 1318 B12R1.61 CCC(=O)NC1CCC(CO)C1 Amb32753595 [0,0,1,1,0,0|2,0,0]=4 1319 B12R1.61 CCC(=O)NC1CCC(SC)C1 Amb27661859 [0,0,1,1,0,0|2,0,0]=4 1320 B12R1.61 CCC(=O)NC1COC(CC)C1 Amb35614713 [0,0,1,1,0,0|2,0,0]=4 1321 B12R1.61 CCC(=O)N[C@@H]1CC[C@H](CN)C1 Amb33071930 [0,0,1,1,0,0|2,0,0]=4 1322 B12R1.61 CCC(=O)N[C@@H]1CC[C@H](CO)C1 Amb32685065 [0,0,1,1,0,0|2,0,0]=4 1323 B12R1.365 CC1CCCCCN1C(=O)CN Amb27168188 [0,0,1,1,0,0|2,0,0]=4 1324 B12R1.365 CCC(=O)N1CCNCCC1C Amb17578206 [0,0,1,1,0,0|2,0,0]=4 1325 B12R1.365 CCC(=O)N1CCOCCC1C Amb27397409 [0,0,1,1,0,0|2,0,0]=4 1326 B12R1.658 CCC(=N)N1C(C)CCC1CC Amb27782970 [0,0,1,1,0,0|2,0,0]=4 1327 B12R1.658 CCC(=O)N1C(C)CCC1OC Amb24485495 [0,0,1,1,0,0|2,0,0]=4 1328 B12R1.658 CCC1CCC(C)N1C(=O)CBr Amb28383171 [0,0,1,1,0,0|2,0,0]=4 1329 B12R1.658 CCC1CCC(C)N1C(=O)CO Amb27833453 [0,0,1,1,0,0|2,0,0]=4 1330 B12R1.1748 CCC(=N)NC1CCCCCC1 Amb27647881 [0,0,1,1,0,0|2,0,0]=4 1331 B12R1.1748 CCC(=O)NC1CCCNCC1 Amb27454298 [0,0,1,1,0,0|2,0,0]=4 1332 B12R1.1748 CCC(=O)NC1CCCSCC1 Amb35691521 [0,0,1,1,0,0|2,0,0]=4 1333 B12R1.1748 CCC(=O)OC1CCCCCC1 Amb25154716 [0,0,1,1,0,0|0,0,0]=2 1334 B12R1.1748 CNC(=O)OC1CCCNCC1 Amb35723382 [0,0,1,1,0,0|2,0,0]=4 1335 B12R1.1748 COC(=O)CC1CCCCCC1 Amb26860987 [0,0,1,1,0,0|2,0,0]=4 1336 B12R1.1748 COC(=O)OC1CCCNCC1 Amb35723383 [0,0,1,1,0,0|2,0,0]=4 1337 B12R1.1748 NCC(=O)CC1CCCCCC1 Amb28206489 [0,0,1,1,0,0|2,0,0]=4 1338 B12R1.1748 NCC(=O)NC1CCCCCC1 Amb5783139 [0,0,1,1,0,0|2,0,0]=4 1339 B12R1.1748 O=C(CBr)NC1CCCCCC1 Amb17324791 [0,0,1,1,0,0|2,0,0]=4 1340 B12R1.1748 O=C(CCl)CC1CCCCCC1 Amb27662588 [0,0,1,1,0,0|2,0,0]=4 1341 B12R1.1748 O=C(CCl)NC1CCCCCC1 Amb6599838 [0,0,1,1,0,0|2,0,0]=4 1342 B12R1.1748 O=C(CF)NC1CCCCCC1 Amb28041369 [0,0,1,1,0,0|2,0,0]=4 1343 B12R1.1748 O=C(CO)NC1CCCCCC1 Amb5798095 [0,0,1,1,0,0|2,0,0]=4 1344 B12R1.1748 O=C(CO)OC1CCCCCC1 Amb28047956 [0,0,1,1,0,0|1,0,0]=3 1345 B12R1.1748 O=C(CS)NC1CCCCCC1 Amb27393805 [0,0,1,1,0,0|2,0,0]=4 1346 B12R1.3441 CC1CCCC(C)N1C(=O)CBr Amb17328299 [0,0,1,1,0,0|2,0,0]=4 1347 B12R1.3441 CC1CCCC(C)N1C(=O)CCl Amb10774284 [0,0,1,1,0,0|2,0,0]=4 1348 B12R1.3441 CC1CCCC(C)N1C(=O)CI Amb28314554 [0,0,1,1,0,0|2,0,0]=4 1349 B12R1.3441 CC1CCCC(C)N1C(=O)CN Amb18945346 [0,0,1,1,0,0|2,0,0]=4 1350 B12R1.3441 CC1CCCC(C)N1C(=O)CO Amb1111000 [0,0,1,1,0,0|2,0,0]=4 1351 B12R1.3441 CCC(=O)C1C(C)CCCC1C Amb27490612 [0,0,1,1,0,0|1,0,0]=3 1352 B12R1.3441 CCC(=O)N1C(C)CCCC1C Amb17788464 [0,0,1,1,0,0|1,0,0]=3 1353 B12R1.3441 CCC(=O)N1C(C)COCC1C Amb25058196 [0,0,1,1,0,0|2,0,0]=4 1354 B12R1.3441 CCC(=O)N1[C@@H](C)CNC[C@H]1C Amb35696539 [0,0,1,1,0,0|2,0,0]=4 1355 B12R1.3441 CCC(=O)N1[C@H](C)CCC[C@H]1C Amb28184867 [0,0,1,1,0,0|1,0,0]=3 1356 B12R1.3441 COC(=O)N1[C@H](C)CCC[C@H]1C Amb27806067 [0,0,1,1,0,0|2,0,0]=4 1357 B12R1.3441 C[C@H]1CCC[C@@H](C)N1C(=O)CBr Amb29848867 [0,0,1,1,0,0|2,0,0]=4 1358 B12R1.3441 C[C@H]1CCC[C@@H](C)N1C(=O)CCl Amb29848766 [0,0,1,1,0,0|2,0,0]=4 1359 B12R1.3524 C=CC(=O)OC1(C)CCCCC1 Amb25148559 [0,0,1,1,0,0|0,0,2]=4 1360 B12R1.3524 CC1(NC(=O)CN)CCCCC1 Amb18957387 [0,0,1,1,0,0|2,0,0]=4 1361 B12R1.3524 CC1(NC(=O)CS)CCCCC1 Amb27652637 [0,0,1,1,0,0|2,0,0]=4 1362 B12R1.3524 CCC(=N)NC1(C)CCCCC1 Amb27973344 [0,0,1,1,0,0|2,0,0]=4 1363 B12R1.3524 CCC(=O)CC1(N)CCCCC1 Amb27404750 [0,0,1,1,0,0|2,0,0]=4 1364 B12R1.3524 CCC(=O)CC1(O)CCCCC1 Amb27191971 [0,0,1,1,0,0|2,0,0]=4 1365 B12R1.3524 CCC(=O)NC1(C)CCNCC1 Amb28189545 [0,0,1,1,0,0|2,0,0]=4 1366 B12R1.3524 CNC(=O)CC1(C)CCCCC1 Amb27180098 [0,0,1,1,0,0|2,0,0]=4 1367 B12R1.3524 CNC(=O)NC1(C)CCCCC1 Amb27970007 [0,0,1,1,0,0|2,0,0]=4 1368 B12R1.3524 CNC(=O)OC1(C)CCNCC1 Amb27257326 [0,0,1,1,0,0|2,0,0]=4 1369 B12R2.24 N=C1CC[C@@H]2CCCC[C@@H]2N1 Amb28060881 [1,0,0,1,0,0|2,0,0]=4 1370 B12R2.24 N=C1NC[C@@H]2CCCC[C@@H]2O1 Amb27788365 [1,0,0,1,0,0|2,0,0]=4 1371 B12R2.24 O=C1C=C2CCCCC2CC1 Amb17593740 [1,0,0,1,0,0|1,0,1]=4 1372 B12R2.24 O=C1C=C2CCCC[C@@H]2CC1 Amb28074789 [1,0,0,1,0,0|1,0,1]=4 1373 B12R2.24 O=C1CC2CCCCC2CN1 Amb27600042 [1,0,0,1,0,0|2,0,0]=4 1374 B12R2.24 O=C1CCC2=C(CCCC2)O1 Amb26013850 [1,0,0,1,0,0|0,0,2]=4 1375 B12R2.24 O=C1CCC2CCCCC2C1 Amb2782888 [1,0,0,1,0,0|1,0,0]=3 1376 B12R2.24 O=C1CCC2CCCCC2O1 Amb3361282 [1,0,0,1,0,0|0,0,0]=2 1377 B12R2.24 O=C1CCC2CCCCN2C1 Amb27950553 [1,0,0,1,0,0|2,0,0]=4 1378 B12R2.24 O=C1CCC2CCCC[C@H]2C1 Amb28122431 [1,0,0,1,0,0|1,0,0]=3 1379 B12R2.24 O=C1CCC2CCCNC2C1 Amb18644586 [1,0,0,1,0,0|2,0,0]=4 1380 B12R2.24 O=C1CCC2CCCOC2C1 Amb27599499 [1,0,0,1,0,0|2,0,0]=4 1381 B12R2.24 O=C1CCC2CCNCC2N1 Amb27839692 [1,0,0,1,0,0|2,0,0]=4 1382 B12R2.24 O=C1CCC2CCSCC2N1 Amb28318107 [1,0,0,1,0,0|2,0,0]=4 1383 B12R2.24 O=C1CCC2CNCCC2N1 Amb13888807 [1,0,0,1,0,0|2,0,0]=4 1384 B12R2.24 O=C1CCC2CNCCC2N1 Amb33549631 [1,0,0,1,0,0|2,0,0]=4 1385 B12R2.24 O=C1CCC2COCCC2C1 Amb26423658 [1,0,0,1,0,0|2,0,0]=4 1386 B12R2.24 O=C1CCC2COCCC2N1 Amb27639153 [1,0,0,1,0,0|2,0,0]=4 1387 B12R2.24 O=C1CCC2CSCCC2N1 Amb28041501 [1,0,0,1,0,0|2,0,0]=4 1388 B12R2.24 O=C1CCC2NCCCC2C1 Amb27232951 [1,0,0,1,0,0|2,0,0]=4 1389 B12R2.24 O=C1CCN2CCCCC2C1 Amb17778369 [1,0,0,1,0,0|2,0,0]=4 1390 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2C1 Amb28246539 [1,0,0,1,0,0|1,0,0]=3 1391 B12R2.24 O=C1CC[C@@H]2CCCC[C@H]2C1 Amb17674190 [1,0,0,1,0,0|1,0,0]=3 1392 B12R2.24 O=C1CC[C@@H]2CCNC[C@H]2N1 Amb18200727 [1,0,0,1,0,0|2,0,0]=4 1393 B12R2.24 O=C1CC[C@@H]2CNCC[C@H]2N1 Amb18200730 [1,0,0,1,0,0|2,0,0]=4 1394 B12R2.24 O=C1CC[C@@H]2NCCC[C@H]2C1 Amb28457417 [1,0,0,1,0,0|2,0,0]=4 1395 B12R2.24 O=C1CC[C@H]2CCCC[C@H]2O1 Amb24590114 [1,0,0,1,0,0|0,0,0]=2 1396 B12R2.24 O=C1CC[C@H]2CNCC[C@@H]2C1 Amb27881809 [1,0,0,1,0,0|2,0,0]=4 1397 B12R2.24 O=C1CC[C@H]2CNCC[C@H]2N1 Amb27492957 [1,0,0,1,0,0|2,0,0]=4 1398 B12R2.24 O=C1CC[C@H]2COCC[C@@H]2C1 Amb27434232 [1,0,0,1,0,0|2,0,0]=4 1399 B12R2.24 O=C1CNC2CCCCC2N1 Amb9277175 [1,0,0,1,0,0|2,0,0]=4 1400 B12R2.24 O=C1CN[C@@H]2CCCC[C@@H]2N1 Amb25175818 [1,0,0,1,0,0|2,0,0]=4 1401 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 Amb27851403 [1,0,0,1,0,0|2,0,0]=4 1402 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2C1 Amb27794443 [1,0,0,1,0,0|2,0,0]=4 1403 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 Amb28246439 [1,0,0,1,0,0|2,0,0]=4 1404 B12R2.24 O=C1NCC2CCCCC2O1 Amb27176513 [1,0,0,1,0,0|1,0,0]=3 1405 B12R2.24 O=C1NCC2CCNCC2O1 Amb28428386 [1,0,0,1,0,0|2,0,0]=4 1406 B12R2.24 O=C1NC[C@@H]2CCCC[C@@H]2O1 Amb27877099 [1,0,0,1,0,0|1,0,0]=3 1407 B12R2.24 O=C1N[C@@H]2CCCC[C@H]2CO1 Amb27431413 [1,0,0,1,0,0|2,0,0]=4 1408 B12R2.24 O=C1N[C@H]2CCCCC2CO1 Amb28251134 [1,0,0,1,0,0|2,0,0]=4 1409 B12R2.24 OC1CC[C@H]2CCCC[C@@H]2O1 Amb27849666 [1,0,0,1,0,0|0,0,2]=4 1410 B12R2.26 CCC1CC12CCCC(=O)N2 Amb28367717 [1,0,0,1,0,0|1,0,0]=3 1411 B12R2.162 CCC[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 Amb27432605 [1,0,0,1,0,0|1,0,0]=3 1412 B12R2.203 CC1CC[C@@H]2CCCC(=O)[C@H]12 Amb27204873 [1,0,0,1,0,0|1,0,0]=3 1413 B12R2.203 C[C@@H]1CC[C@@H]2CCCC(=O)[C@@H]21 Amb27844188 [1,0,0,1,0,0|1,0,0]=3 1414 B12R2.203 C[C@H]1CCC2=C1C(=O)CCC2 Amb27823659 [1,0,0,1,0,0|1,0,1]=4 1415 B12R2.203 C[C@H]1CC[C@H]2CCCC(=O)[C@@H]12 Amb27216476 [1,0,0,1,0,0|1,0,0]=3 1416 B12R2.203 O=C1CCC[C@@H]2CC[C@@H](O)[C@@H]12 Amb27440480 [1,0,0,1,0,0|2,0,0]=4 1417 B12R2.212 CC1CCC2CC1OC(=O)N2 Amb28074144 [1,0,0,1,0,0|2,0,0]=4 1418 B12R2.212 CN1CCC2CC(=O)CC1C2 Amb27234465 [1,0,0,1,0,0|2,0,0]=4 1419 B12R2.212 O=C1C[C@@H]2C[C@@H](CC[C@@H]2O)C1 Amb28052587 [1,0,0,1,0,0|2,0,0]=4 1420 B12R2.215 O=C1CC2CCCCC1CC2 Amb27256513 [1,0,0,1,0,0|1,0,0]=3 1421 B12R2.276 CCCC[C@H]1CC(=O)[C@@H]2C[C@H]12 Amb27427777 [1,0,0,1,0,0|1,0,0]=3 1422 B12R2.330 CC[C@@H]1C[C@H]2CN[C@@H]1C(=O)C2 Amb27782333 [1,0,0,1,0,0|2,0,0]=4 1423 B12R2.612 CC1CCC2CC(=O)NCC12 Amb28118427 [1,0,0,1,0,0|2,0,0]=4 1424 B12R2.612 C[C@@H]1CO[C@H]2CC(=O)CC[C@@H]12 Amb28074743 [1,0,0,1,0,0|2,0,0]=4 1425 B12R2.612 C[C@H]1CC[C@@H]2CC(=O)NC[C@H]12 Amb27841094 [1,0,0,1,0,0|2,0,0]=4 1426 B12R2.1020 O=C1C=C2CCCCC(C1)C2 Amb27164653 [1,0,0,1,0,0|1,0,1]=4 1427 B12R2.1081 O=C1CCCC2CCCCC12 Amb3941631 [1,0,0,1,0,0|1,0,0]=3 1428 B12R2.1081 O=C1CCCC2CNCCC12 Amb18125580 [1,0,0,1,0,0|2,0,0]=4 1429 B12R2.1081 O=C1CCCN2CCCCC12 Amb25337490 [1,0,0,1,0,0|2,0,0]=4 1430 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 Amb22800177 [1,0,0,1,0,0|1,0,0]=3 1431 B12R2.1081 O=C1CCC[C@@H]2CNCCN12 Amb25084217 [1,0,0,1,0,0|2,0,0]=4 1432 B12R2.1081 O=C1CCC[C@H]2CNCCN12 Amb25869368 [1,0,0,1,0,0|2,0,0]=4 1433 B12R2.1081 O=C1CCC[C@H]2NCCC[C@H]12 Amb27461786 [1,0,0,1,0,0|2,0,0]=4 1434 B12R2.1081 O=C1CCNC2CCCCC12 Amb1948705 [1,0,0,1,0,0|2,0,0]=4 1435 B12R2.1081 O=C1CCNC2CCCCN12 Amb26372843 [1,0,0,1,0,0|2,0,0]=4 1436 B12R2.1081 O=C1CCN[C@@H]2CCCC[C@@H]12 Amb1048126 [1,0,0,1,0,0|2,0,0]=4 1437 B12R2.1081 O=C1CCOC2CCCCC12 Amb18831001 [1,0,0,1,0,0|2,0,0]=4 1438 B12R2.1081 O=C1CCS[C@H]2CCCC[C@H]12 Amb27227098 [1,0,0,1,0,0|2,0,0]=4 1439 B12R2.1081 O=C1CNCC2CCCCN12 Amb10604047 [1,0,0,1,0,0|2,0,0]=4 1440 B12R2.1081 O=C1CNCC2CCCCN12 Amb22728017 [1,0,0,1,0,0|2,0,0]=4 1441 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 Amb22751890 [1,0,0,1,0,0|2,0,0]=4 1442 B12R2.1081 O=C1CNC[C@H]2CCCCN12 Amb26480693 [1,0,0,1,0,0|2,0,0]=4 1443 B12R2.1081 O=C1OCC[C@@H]2CCCCN12 Amb27954932 [1,0,0,1,0,0|2,0,0]=4 1444 B12R2.1824 O=C1CC2CC(CC2CO)O1 Amb27456594 [1,0,0,1,0,0|1,0,0]=3 1445 B12R2.1824 O=C1C[C@H]2C[C@H](C[C@@H]2CO)O1 Amb27422521 [1,0,0,1,0,0|1,0,0]=3 1446 B12R2.2092 CCCC[C@@H]1[C@@H]2CCC(=O)[C@@H]21 Amb27434195 [1,0,0,1,0,0|1,0,0]=3 1447 B12R2.2092 CCOCC1C2CCC(=O)C21 Amb28201173 [1,0,0,1,0,0|2,0,0]=4 1448 B12R2.2313 O=C1C=C(C2CCC2)CCC1 Amb28045365 [1,0,0,1,0,0|1,0,1]=4 1449 B12R2.2313 O=C1CCCC(C2CCC2)N1 Amb28460661 [1,0,0,1,0,0|1,0,0]=3 1450 B12R2.2313 O=C1CCCC(N2CCC2)C1 Amb27454622 [1,0,0,1,0,0|2,0,0]=4 1451 B12R2.5121 O=C1CC2(CCCC2)CCN1 Amb26926734 [1,0,0,1,0,0|2,0,0]=4 1452 B12R2.5121 O=C1CCCC2(CCCC2)N1 Amb24486123 [1,0,0,1,0,0|1,0,0]=3 1453 B12R2.5121 O=C1CCCC2(CCCO2)C1 Amb27640796 [1,0,0,1,0,0|2,0,0]=4 1454 B12R2.5121 O=C1CCCC2(CCNC2)N1 Amb28051714 [1,0,0,1,0,0|2,0,0]=4 1455 B12R2.5121 O=C1CCNC2(CCCC2)C1 Amb19374419 [1,0,0,1,0,0|2,0,0]=4 1456 B12R2.5121 O=C1CCNC2(CCCC2)C1 Amb9776203 [1,0,0,1,0,0|2,0,0]=4 1457 B12R2.5121 O=C1CCOC2(CCCC2)C1 Amb18200740 [1,0,0,1,0,0|2,0,0]=4 1458 B12R2.5121 O=C1CCSC2(CCCC2)C1 Amb18825509 [1,0,0,1,0,0|2,0,0]=4 1459 B12R2.5121 O=C1CNCC2(CCCC2)N1 Amb27434470 [1,0,0,1,0,0|2,0,0]=4 1460 B12R2.5121 O=C1NC2(CCCC2)CCO1 Amb27454592 [1,0,0,1,0,0|2,0,0]=4 1461 B12R2.5121 O=C1NCCC2(CCCC2)O1 Amb26446659 [1,0,0,1,0,0|1,0,0]=3 1462 B12R2.5121 O=C1NCCC2(CCOC2)O1 Amb26987846 [1,0,0,1,0,0|2,0,0]=4 1463 B12R2.1 BrC[C@H]1CC[C@H]2CCCC=C12 Amb27789828 [1,0,0,1,0,0|2,0,0]=4 1464 B12R2.2 C1CCC(C2CCCC2)CC1 Amb22230461 [1,0,0,1,0,0|1,0,1]=4 1465 B12R2.2 C1CCC(C2CCCC2)NC1 Amb2237219 [1,0,0,1,0,0|1,0,1]=4 1466 B12R2.2 C1CCC(C2CCCN2)OC1 Amb26372364 [1,0,0,1,0,0|1,0,1]=4 1467 B12R2.2 C1CCC(C2CCCN2)OC1 Amb30584773 [1,0,0,1,0,0|1,0,1]=4 1468 B12R2.2 C1CCC(C2CCCNC2)C1 Amb18200886 [1,0,0,1,0,0|2,0,0]=4 1469 B12R2.2 C1CCC(C2CCCNC2)C1 Amb29083229 [1,0,0,1,0,0|2,0,0]=4 1470 B12R2.2 C1CCC(C2CNCCO2)C1 Amb26893258 [1,0,0,1,0,0|1,0,1]=4 1471 B12R2.8 CC1CCCC12CCCNC2 Amb27412367 [1,0,0,1,0,0|2,0,0]=4 1472 B12R2.8 CC1CCCC12CNCCO2 Amb27787371 [1,0,0,1,0,0|1,0,1]=4 1473 B12R2.8 CC1CNCC12C=CCCC2 Amb27667115 [1,0,0,1,0,0|2,0,0]=4 1474 B12R2.8 C[C@@H]1CNC[C@]12C=CCCC2 Amb27493373 [1,0,0,1,0,0|2,0,0]=4 1475 B12R2.8 NC1CCCC12CCCCO2 Amb32655153 [1,0,0,1,0,0|1,0,1]=4 1476 B12R2.8 NC1CCCC12CCCCO2 Amb32671166 [1,0,0,1,0,0|1,0,1]=4 1477 B12R2.8 N[C@@H]1CCC[C@]12CCCCO2 Amb32671241 [1,0,0,1,0,0|1,0,1]=4 1478 B12R2.8 N[C@@H]1CCC[C@]12CCCCO2 Amb32671242 [1,0,0,1,0,0|1,0,1]=4 1479 B12R2.11 CC1CC1CC2CCCNC2 Amb33144905 [1,0,0,1,0,0|2,0,0]=4 1480 B12R2.27 BrCC1CC1C2CCCCO2 Amb35637936 [1,0,0,1,0,0|1,0,1]=4 1481 B12R2.27 ClCC1CC1C2CCCCO2 Amb35637934 [1,0,0,1,0,0|1,0,1]=4 1482 B12R2.27 NCC1CC1C2CCCCO2 Amb33377405 [1,0,0,1,0,0|1,0,1]=4 1483 B12R2.27 NC[C@@H]1C[C@H]1C2CCCCO2 Amb33375628 [1,0,0,1,0,0|1,0,1]=4 1484 B12R2.27 OCC1CC1C2CCCCO2 Amb35638082 [1,0,0,1,0,0|1,0,1]=4 1485 B12R2.41 C1=NC2CCCCCN2CC1 Amb27960550 [1,0,0,1,0,0|2,0,0]=4 1486 B12R2.41 C1CCC2CCNCC2CC1 Amb27455041 [1,0,0,1,0,0|2,0,0]=4 1487 B12R2.41 C1CCC2CCNCC2CC1 Amb33465451 [1,0,0,1,0,0|2,0,0]=4 1488 B12R2.41 C1CCC2NCCOC2CC1 Amb9004283 [1,0,0,1,0,0|1,0,1]=4 1489 B12R2.41 C1CC[C@@H]2CCNC[C@@H]2CC1 Amb27441724 [1,0,0,1,0,0|2,0,0]=4 1490 B12R2.186 CNC[C@@H]1C[C@@H]2C=C[C@@H]1CC2 Amb27440497 [1,0,0,1,0,0|2,0,0]=4 1491 B12R2.186 ClCCC1CC2C=CC1CC2 Amb30018616 [1,0,0,1,0,0|2,0,0]=4 1492 B12R2.186 NCCC1CC2C=CC1CC2 Amb27789113 [1,0,0,1,0,0|2,0,0]=4 1493 B12R2.931 CCNC1CC2OCCCC12 Amb28281641 [1,0,0,1,0,0|1,0,1]=4 1494 B12R2.1509 NCCCC1[C@@H]2OCCC[C@H]12 Amb27816864 [1,0,0,1,0,0|1,0,1]=4 1495 B12R2.2057 C1=CC(CNC2CC2)CCC1 Amb27253950 [1,0,0,1,0,0|2,0,0]=4 1496 B12R2.2057 C1CCC(CCC2CC2)NC1 Amb18296301 [1,0,0,1,0,0|1,0,1]=4 1497 B12R2.2057 C1CCC(CNC2CC2)OC1 Amb9258725 [1,0,0,1,0,0|1,0,1]=4 1498 B12R2.2057 C1CNCC(CCC2CC2)C1 Amb27241623 [1,0,0,1,0,0|2,0,0]=4 1499 B12R2.2058 C1CC(CC2CCCNC2)C1 Amb22642808 [1,0,0,1,0,0|2,0,0]=4 1500 B12R2.2058 C1CC(CC2CNCCO2)C1 Amb27164112 [1,0,0,1,0,0|1,0,1]=4 1501 B12R2.2058 C1CCC(CC2CCC2)NC1 Amb22642849 [1,0,0,1,0,0|1,0,1]=4 1502 B12R2.2058 C1CCC(CC2CCC2)NC1 Amb35745517 [1,0,0,1,0,0|1,0,1]=4 1503 B12R2.2058 C1CCC(CC2CNC2)OC1 Amb33378808 [1,0,0,1,0,0|1,0,1]=4 1504 B12R2.4370 C1CCC2(CC1)CCCCC2 Amb27169776 [1,0,0,1,0,0|1,0,1]=4 1505 B12R2.4370 C1CCC2(CC1)CCCCN2 Amb18200900 [1,0,0,1,0,0|1,0,1]=4 1506 B12R2.4370 C1CCC2(CC1)CCCCN2 Amb33299310 [1,0,0,1,0,0|1,0,1]=4 1507 B12R2.4370 C1CCC2(CC1)CCCNC2 Amb2786554 [1,0,0,1,0,0|2,0,0]=4 1508 B12R2.4370 C1CCC2(CC1)CNCCO2 Amb17060674 [1,0,0,1,0,0|1,0,1]=4 1509 B12R2.4370 C1CCC2(CC1)CNCCO2 Amb19375307 [1,0,0,1,0,0|1,0,1]=4 1510 B12R2.4370 C1CCC2(CC1)NCCCO2 Amb24598700 [1,0,0,1,0,0|1,0,1]=4 1511 B12R2.4370 C1CCC2(CCCCO2)OC1 Amb8516256 [1,0,0,1,0,0|1,0,1]=4 1512 B12R2.4370 C1CCC2(CCCNC2)OC1 Amb26053499 [1,0,0,1,0,0|1,0,1]=4 1513 B12R2.4370 C1CCC2(CCNCC2)OC1 Amb13883418 [1,0,0,1,0,0|1,0,1]=4 1514 B12R2.4370 C1CCC2(CCNCC2)OC1 Amb21857836 [1,0,0,1,0,0|1,0,1]=4 1515 B12R2.4370 C1CCC2(CCNCC2)OC1 Amb22641447 [1,0,0,1,0,0|1,0,1]=4 1516 B12R2.6 ClC1=NCC(C2CCCC2)O1 Amb27625223 [0,0,0,1,1,0|2,0,0]=4 1517 B12R2.6 NC1=NCC(C2CCCC2)O1 Amb27752425 [0,0,0,1,1,0|2,0,0]=4 1518 B12R2.6 O=C1CC(C2CCCC2)CN1 Amb26641863 [0,0,0,1,1,0|2,0,0]=4 1519 B12R2.6 O=C1CCC(C2CCCC2)C1 Amb8503561 [0,0,0,1,1,0|1,0,0]=3 1520 B12R2.6 O=C1CCC(C2CCCC2)N1 Amb27846011 [0,0,0,1,1,0|1,0,0]=3 1521 B12R2.6 O=C1CCC(C2CCCO2)N1 Amb31188230 [0,0,0,1,1,0|2,0,0]=4 1522 B12R2.6 O=C1CCC(N2CCCC2)C1 Amb28058950 [0,0,0,1,1,0|2,0,0]=4 1523 B12R2.6 O=C1CCC(N2CCCC2)N1 Amb25339947 [0,0,0,1,1,0|2,0,0]=4 1524 B12R2.6 O=C1CC[C@@H](C2CCNC2)N1 Amb27817641 [0,0,0,1,1,0|2,0,0]=4 1525 B12R2.6 O=C1CC[C@H](C2CCCC2)C1 Amb28182520 [0,0,0,1,1,0|1,0,0]=3 1526 B12R2.6 O=C1COC(C2CCCC2)C1 Amb35734216 [0,0,0,1,1,0|2,0,0]=4 1527 B12R2.6 O=C1NC(C2CCCC2)CO1 Amb25147927 [0,0,0,1,1,0|2,0,0]=4 1528 B12R2.6 O=C1NCC(C2CCCC2)O1 Amb25046805 [0,0,0,1,1,0|1,0,0]=3 1529 B12R2.6 O=C1NCC(C2CCCO2)O1 Amb24407876 [0,0,0,1,1,0|2,0,0]=4 1530 B12R2.6 O=C1NCC(C2CCCS2)O1 Amb33415379 [0,0,0,1,1,0|2,0,0]=4 1531 B12R2.6 O=C1NCC(C2CCOC2)O1 Amb26372636 [0,0,0,1,1,0|2,0,0]=4 1532 B12R2.6 O=C1NCC(C2CCSC2)O1 Amb33345501 [0,0,0,1,1,0|2,0,0]=4 1533 B12R2.17 O=C1CC[C@]2(C[C@@H]2CCO)N1 Amb28345338 [0,0,0,1,1,0|2,0,0]=4 1534 B12R2.36 COC1CCC12CCC(=O)O2 Amb33036229 [0,0,0,1,1,0|1,0,0]=3 1535 B12R2.73 CCC1CC1N2CCC(=O)C2 Amb27778419 [0,0,0,1,1,0|2,0,0]=4 1536 B12R2.202 C[C@H]1CCC[C@@H]2CC(=O)CN12 Amb27802509 [0,0,0,1,1,0|2,0,0]=4 1537 B12R2.202 O=C1C[C@@H]2[C@@H](O)CCC[C@H]2O1 Amb27253623 [0,0,0,1,1,0|1,0,0]=3 1538 B12R2.202 O=C1C[C@@H]2[C@H](Br)CCC[C@@H]2C1 Amb27427924 [0,0,0,1,1,0|2,0,0]=4 1539 B12R2.375 COC1OCC2OC(=O)CC21 Amb22499994 [0,0,0,1,1,0|2,0,0]=4 1540 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 1541 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 Amb26397440 [0,0,0,1,1,0|2,0,0]=4 1542 B12R2.375 CO[C@H]1OC[C@H]2OC(=O)C[C@H]21 Amb28250914 [0,0,0,1,1,0|2,0,0]=4 1543 B12R2.375 O=C1CC2C(CO)CCC2O1 Amb27621490 [0,0,0,1,1,0|1,0,0]=3 1544 B12R2.375 O=C1CC2C(CSC2CO)O1 Amb27768483 [0,0,0,1,1,0|2,0,0]=4 1545 B12R2.375 O=C1C[C@@H]2[C@@H](CO)CC[C@@H]2O1 Amb28069429 [0,0,0,1,1,0|1,0,0]=3 1546 B12R2.375 O=C1C[C@@H]2[C@@H](CO)SC[C@@H]2O1 Amb27198015 [0,0,0,1,1,0|2,0,0]=4 1547 B12R2.375 O=CC1CCC2OC(=O)CC12 Amb22342421 [0,0,0,1,1,0|1,0,1]=4 1548 B12R2.375 O=CC1CC[C@@H]2OC(=O)C[C@H]12 Amb27463356 [0,0,0,1,1,0|1,0,1]=4 1549 B12R2.459 O=C1C[C@@H]2CCC[C@@H](O)[C@H]1C2 Amb27195761 [0,0,0,1,1,0|2,0,0]=4 1550 B12R2.586 O=C1CCC2CCNCCN12 Amb24728512 [0,0,0,1,1,0|2,0,0]=4 1551 B12R2.586 O=C1CCC2CNCCCN12 Amb27962737 [0,0,0,1,1,0|2,0,0]=4 1552 B12R2.586 O=C1CC[C@@H]2CCCCC[C@H]12 Amb28351654 [0,0,0,1,1,0|1,0,0]=3 1553 B12R2.586 O=C1NC[C@@H]2CCCCC[C@H]12 Amb27853850 [0,0,0,1,1,0|2,0,0]=4 1554 B12R2.1041 O=C1C=C2CCCCCC2C1 Amb26053092 [0,0,0,1,1,0|1,0,1]=4 1555 B12R2.1041 O=C1C=C2CCCCCC2O1 Amb27848525 [0,0,0,1,1,0|0,0,2]=4 1556 B12R2.1041 O=C1CC2CCCCCC2C1 Amb24486177 [0,0,0,1,1,0|1,0,0]=3 1557 B12R2.1041 O=C1CC2CCCCCN2C1 Amb27851753 [0,0,0,1,1,0|2,0,0]=4 1558 B12R2.1041 O=C1CC2NCCCCC2N1 Amb27839666 [0,0,0,1,1,0|2,0,0]=4 1559 B12R2.1041 O=C1C[C@@H]2CCCCC[C@@H]2N1 Amb28455139 [0,0,0,1,1,0|1,0,0]=3 1560 B12R2.1041 O=C1C[C@@H]2CCCNC[C@H]2N1 Amb18200726 [0,0,0,1,1,0|2,0,0]=4 1561 B12R2.1041 O=C1C[C@@H]2CCNCC[C@H]2N1 Amb18200725 [0,0,0,1,1,0|2,0,0]=4 1562 B12R2.1041 O=C1C[C@@H]2CCNCC[C@H]2O1 Amb30527443 [0,0,0,1,1,0|1,0,0]=3 1563 B12R2.1041 O=C1C[C@@H]2CNCCC[C@H]2N1 Amb18200729 [0,0,0,1,1,0|2,0,0]=4 1564 B12R2.1041 O=C1C[C@H]2CCCCC[C@@H]2N1 Amb27446186 [0,0,0,1,1,0|1,0,0]=3 1565 B12R2.1041 O=C1C[C@H]2OCCCC[C@H]2N1 Amb27459725 [0,0,0,1,1,0|2,0,0]=4 1566 B12R2.1041 O=C1NC2CCCCCC2S1 Amb28068684 [0,0,0,1,1,0|1,1,0]=4 1567 B12R2.2298 NC1=NCC(CCC2CC2)O1 Amb27427482 [0,0,0,1,1,0|2,0,0]=4 1568 B12R2.2298 O=C1CCN(CCC2CC2)C1 Amb27455898 [0,0,0,1,1,0|2,0,0]=4 1569 B12R2.2298 O=C1COC(CCC2CC2)C1 Amb35717184 [0,0,0,1,1,0|2,0,0]=4 1570 B12R2.2298 O=C1NCC(CCC2CC2)O1 Amb27472173 [0,0,0,1,1,0|1,0,0]=3 1571 B12R2.2298 O=C1NCC(CNC2CC2)O1 Amb27660543 [0,0,0,1,1,0|2,0,0]=4 1572 B12R2.2301 O=C1CCC(CC2CCC2)O1 Amb33036268 [0,0,0,1,1,0|0,0,0]=2 1573 B12R2.2314 CC1CCCC12CC(=O)CO2 Amb35726697 [0,0,0,1,1,0|2,0,0]=4 1574 B12R2.2314 CC1CCCC12CN=C(N)O2 Amb27804446 [0,0,0,1,1,0|2,0,0]=4 1575 B12R2.2314 CC1CCCC12CNC(=O)C2 Amb27399849 [0,0,0,1,1,0|2,0,0]=4 1576 B12R2.2314 CC1COCC12CCC(=O)O2 Amb33036238 [0,0,0,1,1,0|1,0,0]=3 1577 B12R2.2314 CC1COCC12CNC(=O)O2 Amb35616380 [0,0,0,1,1,0|2,0,0]=4 1578 B12R2.2314 O=C1CCC2(CCCC2=O)O1 Amb25709581 [0,0,0,1,1,0|1,0,1]=4 1579 B12R2.2314 O=C1CCC2(CCCC2Br)O1 Amb27830083 [0,0,0,1,1,0|1,0,0]=3 1580 B12R2.2314 O=C1CC[C@@]2(CCC[C@@H]2O)N1 Amb27620489 [0,0,0,1,1,0|2,0,0]=4 1581 B12R2.2918 C=C1COC2(CCCCC2)O1 Amb25198632 [0,0,0,1,1,0|2,0,0]=4 1582 B12R2.2918 NC1=NCC2(CCCCC2)O1 Amb28119006 [0,0,0,1,1,0|2,0,0]=4 1583 B12R2.2918 O=C1CC2(CCCCC2)CN1 Amb7990390 [0,0,0,1,1,0|2,0,0]=4 1584 B12R2.2918 O=C1CC2(CCCCC2)CO1 Amb25697017 [0,0,0,1,1,0|2,0,0]=4 1585 B12R2.2918 O=C1CCC2(CCCCC2)C1 Amb28253675 [0,0,0,1,1,0|1,0,0]=3 1586 B12R2.2918 O=C1CCC2(CCCCC2)N1 Amb25984890 [0,0,0,1,1,0|1,0,0]=3 1587 B12R2.2918 O=C1CCC2(CCCCC2)O1 Amb574708 [0,0,0,1,1,0|0,0,0]=2 1588 B12R2.2918 O=C1CCC2(CCCNC2)O1 Amb22234691 [0,0,0,1,1,0|1,0,0]=3 1589 B12R2.2918 O=C1CCC2(CCCNC2)O1 Amb27202704 [0,0,0,1,1,0|1,0,0]=3 1590 B12R2.2918 O=C1CCC2(CCCOC2)N1 Amb28133157 [0,0,0,1,1,0|2,0,0]=4 1591 B12R2.2918 O=C1CCC2(CCCSC2)O1 Amb33036271 [0,0,0,1,1,0|1,0,0]=3 1592 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb19516953 [0,0,0,1,1,0|2,0,0]=4 1593 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb22587448 [0,0,0,1,1,0|2,0,0]=4 1594 B12R2.2918 O=C1CCC2(CCNCC2)N1 Amb22737011 [0,0,0,1,1,0|2,0,0]=4 1595 B12R2.2918 O=C1CCC2(CCNCC2)O1 Amb10070442 [0,0,0,1,1,0|1,0,0]=3 1596 B12R2.2918 O=C1CCC2(CCOCC2)C1 Amb33743523 [0,0,0,1,1,0|2,0,0]=4 1597 B12R2.2918 O=C1CCC2(CCOCC2)N1 Amb27262450 [0,0,0,1,1,0|2,0,0]=4 1598 B12R2.2918 O=C1CNC2(CCCCC2)N1 Amb15695109 [0,0,0,1,1,0|2,0,0]=4 1599 B12R2.2918 O=C1COC2(CCCCC2)N1 Amb27647406 [0,0,0,1,1,0|2,0,0]=4 1600 B12R2.2918 O=C1COC2(CCCCC2)O1 Amb9804079 [0,0,0,1,1,0|1,0,0]=3 1601 B12R2.2918 O=C1COC2(CCNCC2)O1 Amb28313977 [0,0,0,1,1,0|2,0,0]=4 1602 B12R2.2918 O=C1CSC2(CCCCC2)N1 Amb1086854 [0,0,0,1,1,0|2,0,0]=4 1603 B12R2.2918 O=C1NCC2(CCCCC2)O1 Amb17506327 [0,0,0,1,1,0|1,0,0]=3 1604 B12R2.2918 O=C1NCC2(CCCNC2)O1 Amb19516811 [0,0,0,1,1,0|2,0,0]=4 1605 B12R2.2918 O=C1NCC2(CCCNC2)O1 Amb22587308 [0,0,0,1,1,0|2,0,0]=4 1606 B12R2.2918 O=C1NCC2(CCCOC2)O1 Amb28070175 [0,0,0,1,1,0|2,0,0]=4 1607 B12R2.2918 O=C1NCC2(CCNCC2)O1 Amb15701361 [0,0,0,1,1,0|2,0,0]=4 1608 B12R2.2918 O=C1NCC2(CCNCC2)O1 Amb33096659 [0,0,0,1,1,0|2,0,0]=4 1609 B12R2.2918 O=C1NCC2(CCNCC2)O1 Amb33551124 [0,0,0,1,1,0|2,0,0]=4 1610 B12R2.2918 O=C1NCC2(CCOCC2)O1 Amb26977152 [0,0,0,1,1,0|2,0,0]=4 1611 B12R2.2918 O=C1OCC2(CCNCC2)O1 Amb15701375 [0,0,0,1,1,0|2,0,0]=4 1612 B12R2.2918 O=C1OCC2(CCNCC2)O1 Amb22587312 [0,0,0,1,1,0|2,0,0]=4 1613 B12R2.2918 OC1CCC2(CCCCC2)O1 Amb28068972 [0,0,0,1,1,0|0,0,2]=4 1614 B12R2.2918 S=C1NCC2(CCCCC2)O1 Amb28281543 [0,0,0,1,1,0|1,1,0]=4 1615 B12R2.10 CN1CCCC1C2CCCC2 Amb27485655 [0,0,0,1,1,0|2,0,0]=4 1616 B12R2.10 NC1CCCC1C2CCCC2 Amb18280255 [0,0,0,1,1,0|1,0,1]=4 1617 B12R2.10 NN1CCCC1C2CCCC2 Amb24380481 [0,0,0,1,1,0|2,0,0]=4 1618 B12R2.10 N[C@H]1CCC[C@@H]1C2CCCC2 Amb28058948 [0,0,0,1,1,0|1,0,1]=4 1619 B12R2.10 O=C1CCCC1=C2CCCC2 Amb612816 [0,0,0,1,1,0|0,0,2]=4 1620 B12R2.10 O=C1CCCC1C2CCCC2 Amb3907631 [0,0,0,1,1,0|0,0,0]=2 1621 B12R2.10 O=C1CCCC1C2CCCN2 Amb22157196 [0,0,0,1,1,0|1,0,0]=3 1622 B12R2.10 O=C1CCCC1C2CCCN2 Amb32701574 [0,0,0,1,1,0|1,0,0]=3 1623 B12R2.10 O=C1CCCC1C2CCSC2 Amb35697105 [0,0,0,1,1,0|1,0,0]=3 1624 B12R2.10 O=C1CCCC1C2OCCO2 Amb25370789 [0,0,0,1,1,0|2,0,0]=4 1625 B12R2.10 O=C1CCCC1C2SCCS2 Amb27852274 [0,0,0,1,1,0|2,0,0]=4 1626 B12R2.10 O=C1CCCN1C2CCNC2 Amb27838180 [0,0,0,1,1,0|2,0,0]=4 1627 B12R2.10 O=C1CCCN1C2CCNC2 Amb30584626 [0,0,0,1,1,0|2,0,0]=4 1628 B12R2.10 O=C1CCCN1[C@H]2CCNC2 Amb28048312 [0,0,0,1,1,0|2,0,0]=4 1629 B12R2.10 O=C1CCC[C@H]1C2CCCC2 Amb27823646 [0,0,0,1,1,0|0,0,0]=2 1630 B12R2.10 O=C1CNCN1C2CCCC2 Amb26366126 [0,0,0,1,1,0|2,0,0]=4 1631 B12R2.10 O=C1COCC1C2CCCC2 Amb35639033 [0,0,0,1,1,0|1,0,0]=3 1632 B12R2.10 O=C1CSCC1C2CCCC2 Amb27758429 [0,0,0,1,1,0|1,0,0]=3 1633 B12R2.10 O=C1CSCC1C2CCSC2 Amb35697111 [0,0,0,1,1,0|2,0,0]=4 1634 B12R2.10 O=C1NCCC1C2CCCC2 Amb28289229 [0,0,0,1,1,0|1,0,0]=3 1635 B12R2.10 O=C1NCCC1C2CCOC2 Amb28313284 [0,0,0,1,1,0|2,0,0]=4 1636 B12R2.10 O=C1NCCC1C2CCSC2 Amb35711404 [0,0,0,1,1,0|2,0,0]=4 1637 B12R2.10 O=C1NCCN1C2CCCC2 Amb26323524 [0,0,0,1,1,0|2,0,0]=4 1638 B12R2.10 OC1CCCC1C2CCCC2 Amb18796798 [0,0,0,1,1,0|0,0,2]=4 1639 B12R2.10 O[C@@H]1CCC[C@H]1C2CCCC2 Amb27849769 [0,0,0,1,1,0|0,0,2]=4 1640 B12R2.96 C=C1CCCC12CCCC2=O Amb27486116 [0,0,0,1,1,0|0,0,2]=4 1641 B12R2.96 C=C1CCC[C@@]12CCC[C@H]2O Amb27206107 [0,0,0,1,1,0|2,0,0]=4 1642 B12R2.96 CC1CC=CC12CCCC2=O Amb24553806 [0,0,0,1,1,0|0,0,2]=4 1643 B12R2.96 CC1CCCC12CCCC2=O Amb28200017 [0,0,0,1,1,0|0,0,0]=2 1644 B12R2.96 CC1CNCC12CCCC2=O Amb32649035 [0,0,0,1,1,0|1,0,0]=3 1645 B12R2.96 CN1CCCC12CCOC2=O Amb27432418 [0,0,0,1,1,0|2,0,0]=4 1646 B12R2.96 NC1CCCC12CCCC2=O Amb27176542 [0,0,0,1,1,0|1,0,0]=3 1647 B12R2.96 O=C1CCCC12CCCC2=O Amb26494477 [0,0,0,1,1,0|1,0,1]=4 1648 B12R2.96 O=C1CCCC12OCCC2Br Amb27879593 [0,0,0,1,1,0|2,0,0]=4 1649 B12R2.181 C\C=C\[C@H]1CC12CCCC2=O Amb28182523 [0,0,0,1,1,0|0,0,2]=4 1650 B12R2.182 CCCC1=C[C@H]2C(=O)CC[C@@H]12 Amb28198609 [0,0,0,1,1,0|0,0,2]=4 1651 B12R2.182 CCOC1C[C@H]2C(=O)CC[C@@H]12 Amb27440453 [0,0,0,1,1,0|1,0,0]=3 1652 B12R2.182 CCO[C@@H]1C[C@@H]2C(=O)CC[C@@H]21 Amb27427590 [0,0,0,1,1,0|1,0,0]=3 1653 B12R2.182 CCO[C@H]1C[C@@H]2C(=O)CC[C@H]12 Amb27195790 [0,0,0,1,1,0|1,0,0]=3 1654 B12R2.185 CCCC1CC2CCC1C2O Amb27206030 [0,0,0,1,1,0|0,0,2]=4 1655 B12R2.185 CCC[C@@H]1C[C@H]2CC[C@@H]1C2O Amb27631952 [0,0,0,1,1,0|0,0,2]=4 1656 B12R2.185 CCOC1CC2CCC1C2=O Amb28351557 [0,0,0,1,1,0|1,0,0]=3 1657 B12R2.185 CCO[C@@H]1C[C@H]2CC[C@@H]1C2=O Amb27199143 [0,0,0,1,1,0|1,0,0]=3 1658 B12R2.191 CCCC1CC2CC1CC2O Amb27972433 [0,0,0,1,1,0|0,0,2]=4 1659 B12R2.191 CCC[C@H]1C[C@@H]2C[C@H]1CC2=O Amb28052552 [0,0,0,1,1,0|0,0,0]=2 1660 B12R2.191 CCOC1CC2CC1CC2=O Amb27823436 [0,0,0,1,1,0|1,0,0]=3 1661 B12R2.191 O=C1CC2CC1CC2CCO Amb27596944 [0,0,0,1,1,0|1,0,0]=3 1662 B12R2.196 CC1CCC[C@@H]2C(=O)C=C[C@H]12 Amb27859386 [0,0,0,1,1,0|0,0,2]=4 1663 B12R2.196 CC1CCNC2C(=O)NCC12 Amb35789561 [0,0,0,1,1,0|2,0,0]=4 1664 B12R2.196 CN1CCC[C@H]2C(=O)NC[C@H]21 Amb27240361 [0,0,0,1,1,0|2,0,0]=4 1665 B12R2.196 C[C@@H]1CCC=C2C(=O)CC[C@@H]21 Amb28285838 [0,0,0,1,1,0|0,0,2]=4 1666 B12R2.196 C[C@@H]1CCC[C@@H]2C(=O)C=C[C@@H]21 Amb28052226 [0,0,0,1,1,0|0,0,2]=4 1667 B12R2.196 C[C@@H]1CCC[C@@H]2C(=O)CC[C@H]21 Amb28054350 [0,0,0,1,1,0|0,0,0]=2 1668 B12R2.196 C[C@H]1CCC[C@@H]2C(=O)C=C[C@H]12 Amb27629690 [0,0,0,1,1,0|0,0,2]=4 1669 B12R2.196 O=C1CC[C@@H]2[C@@H](O)CCCN12 Amb27478742 [0,0,0,1,1,0|2,0,0]=4 1670 B12R2.196 O=C1CC[C@@H]2[C@H](O)CCCN12 Amb27457878 [0,0,0,1,1,0|2,0,0]=4 1671 B12R2.211 CC1CC1CN2CCNC2=O Amb27591962 [0,0,0,1,1,0|2,0,0]=4 1672 B12R2.211 CC1CC1CN2CNCC2=O Amb27765089 [0,0,0,1,1,0|2,0,0]=4 1673 B12R2.211 C[C@@H]1C[C@H]1NC2CCOC2=O Amb27857429 [0,0,0,1,1,0|2,0,0]=4 1674 B12R2.367 C=C[C@@H]1CC[C@@H]2C(=O)CC[C@H]12 Amb28351511 [0,0,0,1,1,0|0,0,2]=4 1675 B12R2.367 O=C1CC[C@H]2[C@@H](CO)CCN12 Amb28065325 [0,0,0,1,1,0|2,0,0]=4 1676 B12R2.367 O=C1CC[C@H]2[C@H](CO)CCN12 Amb27857944 [0,0,0,1,1,0|2,0,0]=4 1677 B12R2.377 CO[C@@H]1CCC2C[C@@H]1NC2=O Amb28205946 [0,0,0,1,1,0|2,0,0]=4 1678 B12R2.466 O=C1CCCC1CCC2CC2 Amb28248743 [0,0,0,1,1,0|0,0,0]=2 1679 B12R2.466 O=C1NCCC1NCC2CC2 Amb35685834 [0,0,0,1,1,0|2,0,0]=4 1680 B12R2.466 O=C1NCCN1CCC2CC2 Amb27839948 [0,0,0,1,1,0|2,0,0]=4 1681 B12R2.466 OC1CCCC1CCC2CC2 Amb26561650 [0,0,0,1,1,0|0,0,2]=4 1682 B12R2.466 O[C@@H]1CCC[C@H]1CCC2CC2 Amb32944233 [0,0,0,1,1,0|0,0,2]=4 1683 B12R2.694 O=C1C2CC=CCCC1CC2 Amb27954210 [0,0,0,1,1,0|0,0,2]=4 1684 B12R2.694 O=C1C2CCCCCC1CC2 Amb22356366 [0,0,0,1,1,0|0,0,0]=2 1685 B12R2.1114 O=C1CCCC1SC2COC2 Amb27247317 [0,0,0,1,1,0|2,0,0]=4 1686 B12R2.1114 O=C1CCCN1CC2CNC2 Amb23598551 [0,0,0,1,1,0|2,0,0]=4 1687 B12R2.1114 O=C1NCCC1NC2CCC2 Amb35685835 [0,0,0,1,1,0|2,0,0]=4 1688 B12R2.1114 O=C1NCCN1CC2CCC2 Amb28454345 [0,0,0,1,1,0|2,0,0]=4 1689 B12R2.1114 OC1CCCC1CC2CCC2 Amb24704825 [0,0,0,1,1,0|0,0,2]=4 1690 B12R2.1114 O[C@@H]1CCC[C@H]1CC2CCC2 Amb32945349 [0,0,0,1,1,0|0,0,2]=4 1691 B12R2.2417 NC12CCCCCC1CCC2 Amb27184540 [0,0,0,1,1,0|1,0,1]=4 1692 B14R2.388 O=C1C=C(C2CCCC2)CCCC1 Amb28317129 [0,0,0,1,0,1|1,0,1]=4 1693 B14R2.388 O=C1CC(N2CCCC2)CCCN1 Amb27166493 [0,0,0,1,0,1|2,0,0]=4 1694 B14R2.388 O=C1CN(C2CCCC2)CCCN1 Amb27455935 [0,0,0,1,0,1|2,0,0]=4 1695 B14R2.849 CCCCN1C2CCC1CC(=O)C2 Amb18805387 [0,0,0,1,0,1|2,0,0]=4 1696 B14R2.5312 CC1CC1CN2CCCNC(=O)C2 Amb27804873 [0,0,0,1,0,1|2,0,0]=4 1697 B14R2.8028 O=C1C=C2CCCCCC2CCC1 Amb27855021 [0,0,0,1,0,1|1,0,1]=4 1698 B14R2.8028 O=C1CCCC2CCNCCC2N1 Amb28208275 [0,0,0,1,0,1|2,0,0]=4 1699 B14R2.8028 O=C1CCC[C@@H]2CCCNC[C@H]2N1 Amb18192427 [0,0,0,1,0,1|2,0,0]=4 1700 B14R2.8028 O=C1CCC[C@@H]2CCNCC[C@H]2N1 Amb18192425 [0,0,0,1,0,1|2,0,0]=4 1701 B14R2.8028 O=C1CCC[C@@H]2CNCCC[C@H]2N1 Amb18192430 [0,0,0,1,0,1|2,0,0]=4 1702 B14R2.8866 O=C1CCCCC2=C1CCCCC2 Amb28351640 [0,0,0,1,0,1|1,0,1]=4 1703 B14R2.8866 O=S1CCCNC2CCCCCC21 Amb28068829 [0,0,0,1,0,1|2,0,0]=4 1704 B14R2.21172 O=C1CC(NCC2CC2)CCCN1 Amb28200273 [0,0,0,1,0,1|2,0,0]=4 1705 B14R2.23348 O=C1CN(CC2CCC2)CCCN1 Amb28140576 [0,0,0,1,0,1|2,0,0]=4 1706 B14R2.23919 O=C1CCCCC2(CCCCC2)N1 Amb32946760 [0,0,0,1,0,1|1,0,0]=3 1707 B14R2.23919 O=C1CCCCC2(CCNCC2)N1 Amb32946764 [0,0,0,1,0,1|2,0,0]=4 1708 B14R2.23919 O=C1CCCCC2(CCOCC2)N1 Amb32946771 [0,0,0,1,0,1|2,0,0]=4 1709 B14R2.23919 O=C1CCCCC2(CCSCC2)N1 Amb32946765 [0,0,0,1,0,1|2,0,0]=4 1710 B14R2.23919 O=C1CCCNC2(CCCCC2)C1 Amb27179213 [0,0,0,1,0,1|1,0,0]=3 1711 B14R2.28454 O=C1CCCC2C(O)CCCC2O1 Amb27805105 [0,0,0,1,0,1|1,0,0]=3 1712 B14R2.13 C=C[C@H]1CCC[C@@]12CCCC(=O)C2 Amb27432594 [0,1,0,1,0,0|1,0,1]=4 1713 B14R2.13 C=C[C@H]1CCC[C@]12CCCC(=O)C2 Amb28052562 [0,1,0,1,0,0|1,0,1]=4 1714 B14R2.13 CCC1COCC12CC(=O)CCO2 Amb35616332 [0,1,0,1,0,0|2,0,0]=4 1715 B14R2.13 CCC1COCC12COCC(=O)N2 Amb35646830 [0,1,0,1,0,0|2,0,0]=4 1716 B14R2.13 C[C@H]1CCC[C@@]2(CCC[C@@H]2CO)O1 Amb27220644 [0,1,0,1,0,0|1,0,1]=4 1717 B14R2.21 O=C1C=C(C2CCCCC2)CCC1 Amb27180238 [0,1,0,1,0,0|1,0,1]=4 1718 B14R2.21 O=C1C=C(N2CCCCC2)CCC1 Amb26321219 [0,1,0,1,0,0|1,0,1]=4 1719 B14R2.21 O=C1CC(C2CCCCC2)CCN1 Amb28121855 [0,1,0,1,0,0|2,0,0]=4 1720 B14R2.21 O=C1CCCC(C2CCCCC2)C1 Amb25736052 [0,1,0,1,0,0|1,0,0]=3 1721 B14R2.21 O=C1CCCC(C2CCCCN2)N1 Amb23580689 [0,1,0,1,0,0|1,0,0]=3 1722 B14R2.21 O=C1CCCC(C2CCOCC2)C1 Amb27153377 [0,1,0,1,0,0|1,0,0]=3 1723 B14R2.21 O=C1CCCC(N2CCCCC2)C1 Amb27242156 [0,1,0,1,0,0|1,0,0]=3 1724 B14R2.21 O=C1CCCC(N2CCOCC2)C1 Amb27416231 [0,1,0,1,0,0|2,0,0]=4 1725 B14R2.21 O=C1CCOC(C2CCCCO2)C1 Amb35621830 [0,1,0,1,0,0|2,0,0]=4 1726 B14R2.21 O=C1CNCC(C2CCCCC2)N1 Amb25194587 [0,1,0,1,0,0|2,0,0]=4 1727 B14R2.21 O=C1CNCC(C2CCOCC2)N1 Amb26484816 [0,1,0,1,0,0|2,0,0]=4 1728 B14R2.21 O=C1CNC[C@H](C2CCCCC2)N1 Amb27875994 [0,1,0,1,0,0|2,0,0]=4 1729 B14R2.21 O=C1COCC(C2CCCCO2)N1 Amb35743502 [0,1,0,1,0,0|2,0,0]=4 1730 B14R2.21 O=C1NCCC(C2CCCCC2)N1 Amb27436873 [0,1,0,1,0,0|2,0,0]=4 1731 B14R2.21 O=C1NCCC(C2CCCCN2)N1 Amb32417707 [0,1,0,1,0,0|2,0,0]=4 1732 B14R2.21 O=C1NCCC(C2CCCNC2)N1 Amb32417706 [0,1,0,1,0,0|2,0,0]=4 1733 B14R2.21 O=C1NCCC(C2CCNCC2)N1 Amb32417705 [0,1,0,1,0,0|2,0,0]=4 1734 B14R2.716 O=C1C=C(CC2CCOC2)CCC1 Amb28058762 [0,1,0,1,0,0|1,0,1]=4 1735 B14R2.716 O=C1CCCC(CC2=CCCC2)C1 Amb27845266 [0,1,0,1,0,0|1,0,1]=4 1736 B14R2.716 O=C1CCCC(CC2CC=CC2)C1 Amb30033114 [0,1,0,1,0,0|1,0,1]=4 1737 B14R2.716 O=C1CCCC(CC2CCOC2)C1 Amb27969653 [0,1,0,1,0,0|1,0,0]=3 1738 B14R2.716 O=C1CCCC(CN2CCCC2)C1 Amb30013874 [0,1,0,1,0,0|1,0,0]=3 1739 B14R2.716 O=C1CCCN(CC2CCCC2)C1 Amb27760873 [0,1,0,1,0,0|2,0,0]=4 1740 B14R2.716 O=C1CCCN(CC2CCCO2)C1 Amb27408801 [0,1,0,1,0,0|2,0,0]=4 1741 B14R2.1073 COC1CCCC2NC(=O)CCC21 Amb27854244 [0,1,0,1,0,0|1,0,0]=3 1742 B14R2.4475 CC1CCCC(CNC2CCC2)O1 Amb35648676 [0,1,0,1,0,0|1,0,1]=4 1743 B14R2.4475 O=C1CCCC(CNC2CCC2)N1 Amb25042551 [0,1,0,1,0,0|1,0,0]=3 1744 B14R2.4475 O=C1CCCC(CNC2CSC2)N1 Amb27852992 [0,1,0,1,0,0|2,0,0]=4 1745 B14R2.4475 O=C1CCCC(COC2CCC2)C1 Amb35695739 [0,1,0,1,0,0|1,0,0]=3 1746 B14R2.4475 O=C1CCCC(COC2COC2)C1 Amb35695740 [0,1,0,1,0,0|2,0,0]=4 1747 B14R2.4475 O=C1CCCC(CSC2COC2)C1 Amb35699382 [0,1,0,1,0,0|2,0,0]=4 1748 B14R2.5715 O=C1C=C2CCCCCCC2CC1 Amb27772509 [0,1,0,1,0,0|1,0,1]=4 1749 B14R2.6368 CCCN1CCC2CCOC(=O)C21 Amb28070434 [0,1,0,1,0,0|2,0,0]=4 1750 B14R2.11635 CNC1=C2C(=O)CCCC2CCC1 Amb27608603 [0,1,0,1,0,0|1,0,1]=4 1751 B14R2.11635 N#C[C@H]1CCC[C@@H]2CCCC(=O)N12 Amb27853964 [0,1,0,1,0,0|1,0,1]=4 1752 B14R2.11635 O=C1CCC[C@@H]2CCC[C@H](CO)[C@@H]12 Amb27853759 [0,1,0,1,0,0|1,0,0]=3 1753 B14R2.20965 O=C1CCCC2(CCCCC2=O)N1 Amb27849660 [0,1,0,1,0,0|1,0,1]=4 1754 B14R2.20965 O=C1CCC[C@@]2(CCCCC2=O)N1 Amb27268415 [0,1,0,1,0,0|1,0,1]=4 1755 B14R2.20965 O=C1CCC[C@@]2(CCCC[C@@H]2O)N1 Amb27868456 [0,1,0,1,0,0|1,0,0]=3 1756 B14R2.20965 O=C1CCC[C@]2(CCCC[C@@H]2O)C1 Amb27184415 [0,1,0,1,0,0|1,0,0]=3 1757 B14R2.20965 O=C1CCC[C@]2(CCCC[C@H]2Cl)C1 Amb27852096 [0,1,0,1,0,0|1,0,0]=3 1758 B14R2.20965 O=C1NCCC2(CCCCC2O)O1 Amb26506297 [0,1,0,1,0,0|1,0,0]=3 1759 B14R2.23229 O=C1CCNC2(CCCCCC2)C1 Amb18192857 [0,1,0,1,0,0|2,0,0]=4 1760 B14R2.23229 O=C1CCNC2(CCCOCC2)C1 Amb18191964 [0,1,0,1,0,0|2,0,0]=4 1761 B14R2.23229 O=C1CCNC2(CCCSCC2)C1 Amb18187601 [0,1,0,1,0,0|2,0,0]=4 1762 B14R2.23229 O=C1CCOC2(CCCCCC2)C1 Amb18192438 [0,1,0,1,0,0|2,0,0]=4 1763 B14R2.23229 O=C1CCSC2(CCCCCC2)C1 Amb18187892 [0,1,0,1,0,0|2,0,0]=4 1764 B14R2.23229 O=C1NCCC2(CCCCCC2)O1 Amb27441268 [0,1,0,1,0,0|1,0,0]=3 1765 B14R2.23229 O=C1NCCC2(CCCSCC2)O1 Amb27634268 [0,1,0,1,0,0|1,0,0]=3 1766 B14R2.22 CC1CCN(C2CCCC(=O)C2)C1 Amb27395338 [0,1,0,1,0,0|2,0,0]=4 1767 B14R2.22 NC1CCN(C2CCCC(=O)C2)C1 Amb27416232 [0,1,0,1,0,0|2,0,0]=4 1768 B14R2.22 O=C1CCCC(N2CCC(F)C2)C1 Amb30022043 [0,1,0,1,0,0|2,0,0]=4 1769 B14R2.89 CCC1CN(C2CCCC(=O)C2)C1 Amb35666362 [0,1,0,1,0,0|2,0,0]=4 1770 B14R2.1531 O=C1CCC[C@@]2(CC[C@@H](CO)C2)C1 Amb27197684 [0,1,0,1,0,0|2,0,0]=4 1771 B14R2.2332 NCC1CCC2NC(=O)CCC2C1 Amb27239381 [0,1,0,1,0,0|2,0,0]=4 1772 B14R2.2332 O=C1CC[C@H]2CC(CO)CC[C@H]2N1 Amb28437242 [0,1,0,1,0,0|2,0,0]=4 1773 B14R2.28523 CC1C(O)CCC2CCCC(=O)N21 Amb27179624 [0,1,0,1,0,0|1,0,0]=3 1774 B14R2.28523 C[C@H]1[C@@H](O)CC[C@H]2CCCC(=O)N12 Amb27197107 [0,1,0,1,0,0|1,0,0]=3 1775 B14R2.28978 CC1CCC2(CC1)CC(=O)CCO2 Amb28129203 [0,1,0,1,0,0|2,0,0]=4 1776 B14R2.28978 CC1CCC2(CCCC(=O)N2)CC1 Amb32946776 [0,1,0,1,0,0|1,0,0]=3 1777 B14R2.28978 CC1CCC2(CCNC(=O)O2)CC1 Amb33135709 [0,1,0,1,0,0|1,0,0]=3 1778 B14R2.28978 CN1CCC2(CCCC(=O)N2)CC1 Amb32946777 [0,1,0,1,0,0|2,0,0]=4 1779 B14R2.28978 CN1CCC2(CCNC(=O)O2)CC1 Amb28129353 [0,1,0,1,0,0|2,0,0]=4 1780 B14R2.23 CN1C(=O)CNCC1C2CCCC2 Amb24456922 [0,1,0,1,0,0|2,0,0]=4 1781 B14R2.23 O=C1CCCC(C2CCCN2)C1=O Amb27157380 [0,1,0,1,0,0|2,0,0]=4 1782 B14R2.918 CCCCC1=CC2C(=O)CCCC12 Amb27164676 [0,1,0,1,0,0|1,0,1]=4 1783 B14R2.5708 CN1C(=O)CC[C@@H]2CCCNC[C@H]21 Amb18192428 [0,1,0,1,0,0|2,0,0]=4 1784 B14R2.5708 CN1C(=O)CC[C@@H]2CCNCC[C@H]21 Amb18192426 [0,1,0,1,0,0|2,0,0]=4 1785 B14R2.5708 CN1C(=O)CC[C@@H]2CNCCC[C@H]21 Amb18192431 [0,1,0,1,0,0|2,0,0]=4 1786 B14R2.27951 CC1C(=O)C=C2CCCCCC1C2 Amb27772315 [0,1,0,1,0,0|1,0,1]=4 1787 B14R2.27951 O=C1C[C@@H]2CCCCC[C@@H](C2)[C@H]1O Amb27650439 [0,1,0,1,0,0|1,0,0]=3 1788 B14R2.27951 O=C1C[C@H]2CCCCC[C@H](C2)[C@@H]1O Amb28401087 [0,1,0,1,0,0|1,0,0]=3 1789 B14R2.56242 O=C1CCNC2(CCCCC2)N1O Amb27415640 [0,1,0,1,0,0|2,0,0]=4 1790 B14R2.8051 CC1CC[C@@H](O)[C@H]2C(=O)CCC[C@H]12 Amb27632013 [0,1,0,1,0,0|2,0,0]=4 1791 B14R2.8051 CC1CC[C@H](O)[C@H]2C(=O)CCC[C@H]12 Amb28435713 [0,1,0,1,0,0|2,0,0]=4 1792 B14R2.8751 C=C1CCC2C(C)CCC(O)C2C1 Amb28190211 [0,1,0,1,0,0|2,0,0]=4 1793 B14R2.9036 CN(CC1CC1)C2CCCC(=O)C2 Amb27395337 [0,1,0,1,0,0|2,0,0]=4 1794 B14R2.29767 O=C1CCCC(C(=O)C2CCC2)C1 Amb27877515 [0,1,0,1,0,0|1,0,1]=4 1795 B14R2.9057 CC1CN(CC2CCCC(=O)C2)C1 Amb35664460 [0,1,0,1,0,0|2,0,0]=4 1796 B14R2.9057 O=C1CCCC(CN2CC(O)C2)C1 Amb30013939 [0,1,0,1,0,0|2,0,0]=4 1797 B14R2.9059 CN(CC1CCCC(=O)C1)C2CC2 Amb30013869 [0,1,0,1,0,0|2,0,0]=4 1798 B14R2.20968 CC1CC2(CCNC(=O)O2)CCO1 Amb33135729 [0,1,0,1,0,0|2,0,0]=4 1799 B14R2.20968 CC1CCCC2(CCCC(O)O2)O1 Amb28400868 [0,1,0,1,0,0|0,0,2]=4 1800 B14R2.20968 CC1CCCC2(CCNC(=O)O2)C1 Amb33135712 [0,1,0,1,0,0|1,0,0]=3 1801 B14R2.20968 CN1CCCC2(CCNC(=O)O2)C1 Amb28198670 [0,1,0,1,0,0|2,0,0]=4 1802 B14R2.20968 C[C@H]1CCC[C@@]2(CCC[C@H](O)O2)O1 Amb28138629 [0,1,0,1,0,0|0,0,2]=4 1803 B14R2.20968 O=C1CCC[C@]2(CCCC(O)C2)N1 Amb27596690 [0,1,0,1,0,0|1,0,0]=3 1804 B14R2.27087 O=C1CC2CC(CC(CCO)O2)O1 Amb27853136 [0,1,0,1,0,0|1,0,0]=3 1805 B14R2.27087 O=C1C[C@H]2C[C@H](C[C@H](CCO)O2)O1 Amb27206605 [0,1,0,1,0,0|1,0,0]=3 1806 B14R2.29365 CC1CC(=O)CC2NC(=O)CCC12 Amb27436161 [0,1,0,1,0,0|1,0,1]=4 1807 B14R2.29365 CC1CC(N)C2CCC(=O)CC2C1 Amb28457518 [0,1,0,1,0,0|2,0,0]=4 1808 B14R2.249 CC1CC(=O)C=C(C2CCCC2)C1 Amb27267800 [0,1,0,1,0,0|1,0,1]=4 1809 B14R2.249 CC1CC(=O)CC(C2CCCC2)N1 Amb18823955 [0,1,0,1,0,0|2,0,0]=4 1810 B14R2.6126 CC1CC(=O)C2CCCCCC2O1 Amb18192436 [0,1,0,1,0,0|2,0,0]=4 1811 B14R2.6126 C[C@H]1CC(=O)N[C@H]2CCCCC[C@@H]12 Amb27855482 [0,1,0,1,0,0|1,0,0]=3 1812 B14R2.30027 CC1CC(=O)CC2(CCCCC2)N1 Amb27229971 [0,1,0,1,0,0|2,0,0]=4 1813 B14R2.30027 CC1CC(=O)NC2(CCCCC2)C1 Amb28073093 [0,1,0,1,0,0|1,0,0]=3 1814 B14R2.30027 CC1CC(O)CC2(CCCCC2)O1 Amb28292150 [0,1,0,1,0,0|1,0,1]=4 1815 B14R2.30027 O=C1C=C(O)CC2(CCCCC2)O1 Amb27830671 [0,1,0,1,0,0|0,0,2]=4 1816 B14R2.30027 O=C1CC(=O)CC2(CCCCC2)C1 Amb428013 [0,1,0,1,0,0|1,0,1]=4 1817 B14R2.30027 O=C1CC(O)CC2(CCCCC2)N1 Amb27234661 [0,1,0,1,0,0|1,0,0]=3 1818 B14R2.34173 CCCCC1C2NC(=O)CC(C)C12 Amb27882819 [0,1,0,1,0,0|1,0,0]=3 1819 B14R2.4476 O=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)O)O1 Amb27983704 [0,1,0,1,0,0|1,0,1]=4 1820 B14R2.53739 CC1(C)CCCC12COCC(=O)N2 Amb27613322 [0,1,0,1,0,0|2,0,0]=4 1821 B14R2.305 CC1CCC(=O)CC1OCC2CC2 Amb32867563 [0,1,0,1,0,0|2,0,0]=4 1822 B14R2.306 CC1CCC(=O)CC1C2CCCC2 Amb32865270 [0,1,0,1,0,0|1,0,0]=3 1823 B14R2.306 CC1CCC(=O)CC1N2CCCC2 Amb32866964 [0,1,0,1,0,0|2,0,0]=4 1824 B14R2.306 CN1CCC(=O)CC1C2CCCC2 Amb24359114 [0,1,0,1,0,0|2,0,0]=4 1825 B14R2.306 NC1CCC(=O)NC1C2CCCO2 Amb27971689 [0,1,0,1,0,0|2,0,0]=4 1826 B14R2.306 N[C@@H]1CCC(=O)N[C@H]1C2CCCO2 Amb32685290 [0,1,0,1,0,0|2,0,0]=4 1827 B14R2.4681 CC1CCC(=O)CC1N2CCC2C Amb32867043 [0,1,0,1,0,0|2,0,0]=4 1828 B14R2.8610 CC1CCC(=O)C2=C1CCCCC2 Amb27772309 [0,1,0,1,0,0|1,0,1]=4 1829 B14R2.8610 O=C1CCC(=O)N2CCCCCC12 Amb18193117 [0,1,0,1,0,0|1,0,1]=4 1830 B14R2.9202 CC1CCC(=O)CC1OC2CCC2 Amb32867562 [0,1,0,1,0,0|2,0,0]=4 1831 B14R2.10091 CCCCC1[C@@H]2C[C@@H](O)[C@@H]1CC2=O Amb28321597 [0,1,0,1,0,0|1,0,0]=3 1832 B14R2.13655 CN1CCC(=O)CC12CCCCC2 Amb27264840 [0,1,0,1,0,0|2,0,0]=4 1833 B14R2.13655 NC1CCC(=O)NC12CCOCC2 Amb25071730 [0,1,0,1,0,0|2,0,0]=4 1834 B14R2.13655 NC1CCC(=O)NC12CCOCC2 Amb32652333 [0,1,0,1,0,0|2,0,0]=4 1835 B14R2.13655 O=C1CC2(CCCCC2)C(O)CN1 Amb32993151 [0,1,0,1,0,0|2,0,0]=4 1836 B14R2.29234 CC12CCC(=O)CC1CCCC2O Amb28079035 [0,1,0,1,0,0|2,0,0]=4 1837 B14R2.29234 CC12CCC(=O)NC1CCCC2O Amb28397404 [0,1,0,1,0,0|2,0,0]=4 1838 B14R2.29234 CC1CCCC2=CC(=O)CCC21C Amb17594563 [0,1,0,1,0,0|1,0,1]=4 1839 B14R2.29234 C[C@@]12CCC(=O)C[C@@H]1CCC[C@@H]2O Amb27857957 [0,1,0,1,0,0|2,0,0]=4 1840 B14R2.29234 C[C@@]12CCC(=O)C[C@H]1CCC[C@@H]2O Amb27624570 [0,1,0,1,0,0|2,0,0]=4 1841 B14R2.29234 C[C@]12CCC(=O)O[C@H]1CCC[C@H]2O Amb28248019 [0,1,0,1,0,0|1,0,0]=3 1842 B14R2.10 BrCC1CCCC(C2CCCC2)O1 Amb28350611 [0,1,0,1,0,0|1,0,1]=4 1843 B14R2.10 ICC1CCCC(C2CCCC2)O1 Amb28242670 [0,1,0,1,0,0|1,0,1]=4 1844 B14R2.10 NCC1CCCC(C2CCCC2)O1 Amb27598767 [0,1,0,1,0,0|1,0,1]=4 1845 B14R2.11457 O=CC1=CC2CCCCCC(C1)C2 Amb27802483 [0,1,0,1,0,0|1,0,0]=3 1846 B14R2.11723 CC1CCCC12CCCC(C=O)O2 Amb27207532 [0,1,0,1,0,0|0,0,1]=3 1847 B14R2.11723 CC1CCCC12CCCC(CBr)O2 Amb27262274 [0,1,0,1,0,0|1,0,1]=4 1848 B14R2.11723 CC1CCCC12CCCC(CI)O2 Amb27393915 [0,1,0,1,0,0|1,0,1]=4 1849 B14R2.11723 CC1CCCC12CCCC(CN)O2 Amb28243011 [0,1,0,1,0,0|1,0,1]=4 1850 B14R2.11723 CC1COCC12CCCC(C=O)O2 Amb29882931 [0,1,0,1,0,0|1,0,1]=4 1851 B14R2.38170 BrCC1CCCC2(CCCCC2)O1 Amb27657398 [0,1,0,1,0,0|1,0,1]=4 1852 B14R2.38170 NCC1CCCC2(CCCCC2)O1 Amb27208835 [0,1,0,1,0,0|1,0,1]=4 1853 B14R2.38170 O=CC1CCCC2(CCCOC2)O1 Amb27834626 [0,1,0,1,0,0|1,0,1]=4 1854 B14R2.38170 O=CC1CCCC2(CCOCC2)O1 Amb27596841 [0,1,0,1,0,0|1,0,1]=4 1855 B14R2.38170 OCC1CCCC2(CCCCC2)O1 Amb28242965 [0,1,0,1,0,0|0,0,2]=4 1856 B14R2.7726 O=C1N[C@H]2CCCCC[C@@H]2CC1Cl Amb28053695 [0,1,0,1,0,0|1,0,0]=3 1857 B14R2.8419 O=C1NCC2(CCCCC2)OC1=O Amb27248366 [0,1,0,1,0,0|1,0,1]=4 1858 B14R2.24466 CC12CCCC(O)C1CCC(=O)C2 Amb27179692 [0,1,0,1,0,0|2,0,0]=4 1859 B14R2.24466 CC1CCCC2(C)NC(=O)CCN12 Amb27882830 [0,1,0,1,0,0|2,0,0]=4 1860 B14R2.29772 CC1(CC2CCC2)CC(=O)CCO1 Amb28396476 [0,1,0,1,0,0|2,0,0]=4 1861 B14R3.198 O=C1C[C@H]2C[C@@H](N1)C3CCCC32 Amb28052652 [0,0,0,2,0,0|1,0,0]=3 1862 B14R3.712 O=C1CC2CCC1C23CCCC3 Amb28141323 [0,0,0,2,0,0|1,0,0]=3 1863 B14R3.5013 O=C1CCC[C@@H]2[C@H]3CCC[C@H]3[C@@H]12 Amb27861321 [0,0,0,2,0,0|1,0,0]=3 1864 B14R3.5013 O=C1CCC[C@H]2C3CCCC3[C@@H]12 Amb27440441 [0,0,0,2,0,0|1,0,0]=3 1865 B14R3.6020 O=C1C=C2C3CCC(C3)C2CC1 Amb27389478 [0,0,0,2,0,0|1,0,1]=4 1866 B14R3.6020 O=C1NC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2N1 Amb28385012 [0,0,0,2,0,0|2,0,0]=4 1867 B14R3.6020 O=C1N[C@H]2[C@H]3CC[C@H](C3)[C@H]2CO1 Amb28052627 [0,0,0,2,0,0|2,0,0]=4 1868 B14R3.8335 O=C1CCCC2C3CCC(C3)C12 Amb28321870 [0,0,0,2,0,0|1,0,0]=3 1869 B14R3.8335 O=C1CCC[C@H]2[C@H]3CC[C@H](C3)[C@@H]12 Amb27854951 [0,0,0,2,0,0|1,0,0]=3 1870 B14R3.3873 O=C1CCC2CCC3CC3C2N1 Amb27478627 [0,0,0,2,0,0|1,0,0]=3 1871 B14R3.19467 O=C1CCOC2(CCC3CC32)C1 Amb28127795 [0,0,0,2,0,0|2,0,0]=4 1872 B14R3.3870 O=C1CCN2CC3CCC3C2C1 Amb27409164 [0,0,0,2,0,0|2,0,0]=4 1873 B14R3.3870 O=C1CCN2C[C@H]3CC[C@H]3C2C1 Amb18828219 [0,0,0,2,0,0|2,0,0]=4 1874 B14R3.727 O=C1C[C@@H]2C[C@@H]3CCC[C@@]3(C1)C2 Amb27802763 [0,0,0,2,0,0|1,0,0]=3 1875 B14R3.8697 O=C1C[C@H]2CC3CCCN2[C@@H]3C1 Amb27429124 [0,0,0,2,0,0|2,0,0]=4 1876 B14R3.619 O=C1CC2CC3CCCCC2C13 Amb27177517 [0,0,0,2,0,0|1,0,0]=3 1877 B14R3.32181 O=C1CC23CCCCCC12CC3 Amb27762550 [0,0,0,2,0,0|1,0,0]=3 1878 B14R3.3853 O=C1CC[C@H]2[C@@H]1C23CCCCC3 Amb28351485 [0,0,0,2,0,0|1,0,0]=3 1879 B14R3.5009 O=C1COCC23CCCCC2C13 Amb27256609 [0,0,0,2,0,0|2,0,0]=4 1880 B14R3.23425 O=C1CCCC2CCC3CC3C12 Amb27176022 [0,0,0,2,0,0|1,0,0]=3 1881 B14R3.722 O=C1CN2CC3CCCC2CC13 Amb27177448 [0,0,0,2,0,0|2,0,0]=4 1882 B14R3.387 O=C1CCC2CC3CCCN2C13 Amb23596967 [0,0,0,2,0,0|2,0,0]=4 1883 B14R3.5016 O=C1CCCC23OCCC2CC13 Amb25767115 [0,0,0,2,0,0|2,0,0]=4 1884 B14R3.7967 O=C1CC23CCCC2CC1CC3 Amb28381178 [0,0,0,2,0,0|1,0,0]=3 1885 B14R3.360 O=C1CCC2C3CCCCC2C13 Amb27175866 [0,0,0,2,0,0|1,0,0]=3 1886 B14R3.8305 O=C1CCCC2CC3CCOC123 Amb27750367 [0,0,0,2,0,0|2,0,0]=4 1887 B14R3.6001 O=C1CC[C@@H]2[C@H]3CCCN2[C@@H]1C3 Amb28142324 [0,0,0,2,0,0|2,0,0]=4 1888 B10R0.86 CC#CCCC(CC)C(C)=O Amb27988392 [0,0,1,0,1,0|0,0,2]=4 1889 B10R0.86 CCCCCC(CC)C(=O)O Amb18791930 [0,0,1,0,1,0|1,0,0]=3 1890 B10R0.86 CCCCCC(OC)C(=O)O Amb32953478 [0,0,1,0,1,0|2,0,0]=4 1891 B10R0.86 CCCCSC(CC)C(=O)O Amb9675509 [0,0,1,0,1,0|2,0,0]=4 1892 B10R0.83 CC#CCCC(C)C(=O)CC Amb27988393 [0,0,1,0,1,0|0,0,2]=4 1893 B10R0.83 CCCCCC(N)C(=O)OC Amb18792090 [0,0,1,0,1,0|2,0,0]=4 1894 B10R0.83 CCCCCC(N)C(=O)OC Amb33552080 [0,0,1,0,1,0|2,0,0]=4 1895 B10R0.83 CCCCCC(O)C(=O)OC Amb18183408 [0,0,1,0,1,0|2,0,0]=4 1896 B10R0.83 CCCCNC(C)C(=O)NC Amb9203275 [0,0,1,0,1,0|2,0,0]=4 1897 B10R1.16 CCCCC1CC(=O)CO1 Amb35718938 [1,0,0,0,1,0|2,0,0]=4 1898 B10R1.16 CCCCC1CCC(=O)O1 Amb8513275 [1,0,0,0,1,0|0,0,0]=2 1899 B10R1.16 CCCCC1CCS(=O)C1 Amb27776452 [1,0,0,0,1,0|2,0,0]=4 1900 B10R1.16 CCCCC1CNC(=O)C1 Amb26346287 [1,0,0,0,1,0|2,0,0]=4 1901 B10R1.16 CCCCC1CNC(=O)O1 Amb27830443 [1,0,0,0,1,0|1,0,0]=3 1902 B10R1.16 CCCCC1COC(=O)N1 Amb24482077 [1,0,0,0,1,0|2,0,0]=4 1903 B10R1.16 CCCC[C@@H]1CCC(=O)N1 Amb28134882 [1,0,0,0,1,0|1,0,0]=3 1904 B10R1.16 CCCC[C@@H]1CNC(=O)C1 Amb27770599 [1,0,0,0,1,0|2,0,0]=4 1905 B10R1.16 CCCC[C@@H]1COC(=O)N1 Amb22225366 [1,0,0,0,1,0|2,0,0]=4 1906 B10R1.16 CCCOC1CCC(=O)C1 Amb28183094 [1,0,0,0,1,0|2,0,0]=4 1907 B10R1.16 CCCOC1CCC(=O)N1 Amb28067614 [1,0,0,0,1,0|2,0,0]=4 1908 B10R1.16 CCNCC1CCC(=O)N1 Amb27839151 [1,0,0,0,1,0|2,0,0]=4 1909 B10R1.16 CCOCC1CCC(=O)C1 Amb26649290 [1,0,0,0,1,0|2,0,0]=4 1910 B10R1.16 CCOCC1COC(=O)O1 Amb27613885 [1,0,0,0,1,0|2,0,0]=4 1911 B10R1.16 CCSCC1CNC(=O)O1 Amb33323377 [1,0,0,0,1,0|2,0,0]=4 1912 B10R1.16 COCCC1CNC(=O)O1 Amb33377305 [1,0,0,0,1,0|2,0,0]=4 1913 B10R1.16 CSCCC1CNC(=O)O1 Amb33203358 [1,0,0,0,1,0|2,0,0]=4 1914 B10R1.16 NCCCC1CCC(=O)O1 Amb27776907 [1,0,0,0,1,0|1,0,0]=3 1915 B10R1.16 O=C1CCC(CCCBr)C1 Amb27768574 [1,0,0,0,1,0|2,0,0]=4 1916 B10R1.16 O=C1CCC(CCCO)O1 Amb27968758 [1,0,0,0,1,0|1,0,0]=3 1917 B10R1.16 O=C1CC[C@H](CCCO)O1 Amb27205711 [1,0,0,0,1,0|1,0,0]=3 1918 B10R1.29 C=CCCC1CCCC1=O Amb26474240 [1,0,0,0,1,0|0,0,2]=4 1919 B10R1.29 CC#CCC1CCCC1=O Amb28388198 [1,0,0,0,1,0|0,0,2]=4 1920 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,0,1,0|0,0,0]=2 1921 B10R1.29 CCCCC1CCCC1N Amb18977599 [1,0,0,0,1,0|1,0,1]=4 1922 B10R1.29 CCCCC1CCCC1O Amb27188610 [1,0,0,0,1,0|0,0,2]=4 1923 B10R1.29 CCCCC1COCC1=O Amb29885828 [1,0,0,0,1,0|1,0,0]=3 1924 B10R1.29 CCCCN1CCCC1=N Amb7777898 [1,0,0,0,1,0|2,0,0]=4 1925 B10R1.29 CCCCN1CCCC1=O Amb4605894 [1,0,0,0,1,0|1,0,0]=3 1926 B10R1.29 CCCCN1CCCC1=S Amb26564122 [1,0,0,0,1,0|1,1,0]=4 1927 B10R1.29 CCCCN1CNCC1=O Amb28139296 [1,0,0,0,1,0|2,0,0]=4 1928 B10R1.29 CCCC[C@@H]1CCC[C@H]1O Amb26393355 [1,0,0,0,1,0|0,0,2]=4 1929 B10R1.29 CCC\C=C1/CCCC1=O Amb25936513 [1,0,0,0,1,0|0,0,2]=4 1930 B10R1.29 CCC\C=C1\CCCC1=O Amb27432602 [1,0,0,0,1,0|0,0,2]=4 1931 B10R1.29 CCOCC1CCCC1=O Amb24431926 [1,0,0,0,1,0|1,0,0]=3 1932 B10R1.29 CCOCC1COCC1=O Amb35639027 [1,0,0,0,1,0|2,0,0]=4 1933 B10R1.29 CNCCN1CCCC1=O Amb18292044 [1,0,0,0,1,0|2,0,0]=4 1934 B10R1.29 CNCCN1CCCC1=O Amb19515123 [1,0,0,0,1,0|2,0,0]=4 1935 B10R1.29 COCCC1CCCC1=O Amb27665846 [1,0,0,0,1,0|1,0,0]=3 1936 B10R1.29 COCCC1CCNC1=O Amb25824666 [1,0,0,0,1,0|2,0,0]=4 1937 B10R1.29 COCCN1CCCC1=O Amb20621492 [1,0,0,0,1,0|2,0,0]=4 1938 B10R1.29 COCOC1CCCC1=O Amb25319346 [1,0,0,0,1,0|2,0,0]=4 1939 B10R1.29 CSCCC1CCCC1=O Amb27794162 [1,0,0,0,1,0|1,0,0]=3 1940 B10R1.29 CSCCC1CCOC1=O Amb27467850 [1,0,0,0,1,0|2,0,0]=4 1941 B10R1.29 CSCCC1CSCC1=O Amb27166207 [1,0,0,0,1,0|2,0,0]=4 1942 B10R1.29 CSCCC1NCCC1=O Amb27192382 [1,0,0,0,1,0|2,0,0]=4 1943 B10R1.29 CSCC[C@@H]1NCCC1=O Amb18830317 [1,0,0,0,1,0|2,0,0]=4 1944 B10R1.29 CSCOC1CCCC1=O Amb25236984 [1,0,0,0,1,0|2,0,0]=4 1945 B10R1.29 N#CCCC1CCCC1=O Amb4477198 [1,0,0,0,1,0|1,0,1]=4 1946 B10R1.29 NCCCC1CCNC1=O Amb27860538 [1,0,0,0,1,0|2,0,0]=4 1947 B10R1.29 NCCCC1CCOC1=O Amb32668910 [1,0,0,0,1,0|2,0,0]=4 1948 B10R1.29 NCCCC1CCOC1=O Amb32674869 [1,0,0,0,1,0|2,0,0]=4 1949 B10R1.29 NCCCN1CCCC1=O Amb534575 [1,0,0,0,1,0|2,0,0]=4 1950 B10R1.29 O=C1CCCC1CCCF Amb26876720 [1,0,0,0,1,0|1,0,0]=3 1951 B10R1.29 O=C1CCCN1CCCCl Amb1141152 [1,0,0,0,1,0|2,0,0]=4 1952 B10R1.29 O=C1CCCN1CCCO Amb3939639 [1,0,0,0,1,0|2,0,0]=4 1953 B10R1.29 O=C1CCCN1CCCS Amb27837899 [1,0,0,0,1,0|2,0,0]=4 1954 B10R1.29 O=C1CCC[C@@H]1CCCBr Amb27233151 [1,0,0,0,1,0|1,0,0]=3 1955 B10R1.29 O=C1CSCC1CCCF Amb27487070 [1,0,0,0,1,0|2,0,0]=4 1956 B10R1.29 O=C1CSCC1CCCO Amb27218665 [1,0,0,0,1,0|2,0,0]=4 1957 B10R1.29 O=C1NCCC1CCCO Amb27460992 [1,0,0,0,1,0|2,0,0]=4 1958 B10R1.29 O=C1NCCC1CCCO Amb32667562 [1,0,0,0,1,0|2,0,0]=4 1959 B10R1.29 O=C1OCCC1CCCO Amb27977861 [1,0,0,0,1,0|2,0,0]=4 1960 B10R1.29 O=C1OCC[C@H]1CCCF Amb27949209 [1,0,0,0,1,0|2,0,0]=4 1961 B10R1.21 BrCCCCC1CCCC1 Amb25317874 [1,0,0,0,1,0|1,0,1]=4 1962 B10R1.21 BrCCCCC1CCCO1 Amb25839950 [1,0,0,0,1,0|1,0,0]=3 1963 B10R1.21 BrCCCCC1OCCO1 Amb22494280 [1,0,0,0,1,0|2,0,0]=4 1964 B10R1.21 BrCCOCC1CCCO1 Amb6256103 [1,0,0,0,1,0|2,0,0]=4 1965 B10R1.21 CCCCCC1=CCCC1 Amb27248740 [1,0,0,0,1,0|0,0,1]=3 1966 B10R1.21 CCCCCC1CCCC1 Amb22731546 [1,0,0,0,1,0|0,0,1]=3 1967 B10R1.21 CCCCCC1CCCN1 Amb20669608 [1,0,0,0,1,0|1,0,0]=3 1968 B10R1.21 CCCCCC1CCCN1 Amb3788114 [1,0,0,0,1,0|1,0,0]=3 1969 B10R1.21 CCCCCC1CCNC1 Amb25726522 [1,0,0,0,1,0|1,0,1]=4 1970 B10R1.21 CCCCCN1CCCN1 Amb27874449 [1,0,0,0,1,0|2,0,0]=4 1971 B10R1.21 CCCCCN1CCCO1 Amb28139187 [1,0,0,0,1,0|1,0,0]=3 1972 B10R1.21 CCCCC[C@@H]1CCNC1 Amb27950140 [1,0,0,0,1,0|1,0,1]=4 1973 B10R1.21 CCCCC[C@H]1CCCN1 Amb28050068 [1,0,0,0,1,0|1,0,0]=3 1974 B10R1.21 CCCCC[C@H]1CCNC1 Amb28041520 [1,0,0,0,1,0|1,0,1]=4 1975 B10R1.21 CCCCNC1C=CCC1 Amb27252122 [1,0,0,0,1,0|1,0,1]=4 1976 B10R1.21 CCCCNC1CCCC1 Amb2111931 [1,0,0,0,1,0|1,0,1]=4 1977 B10R1.21 CCCCNC1CCCC1 Amb6690971 [1,0,0,0,1,0|1,0,1]=4 1978 B10R1.21 CCCCSC1CCCC1 Amb28345161 [1,0,0,0,1,0|1,0,1]=4 1979 B10R1.21 CCCNCC1CCCC1 Amb9214739 [1,0,0,0,1,0|1,0,1]=4 1980 B10R1.21 CCCNCC1CCCN1 Amb17231950 [1,0,0,0,1,0|2,0,0]=4 1981 B10R1.21 CCCNCC1CCCO1 Amb9751758 [1,0,0,0,1,0|1,0,0]=3 1982 B10R1.21 CCCNC[C@@H]1CCCN1 Amb27404235 [1,0,0,0,1,0|2,0,0]=4 1983 B10R1.21 CCCNC[C@@H]1CCCO1 Amb27605440 [1,0,0,0,1,0|1,0,0]=3 1984 B10R1.21 CCCNC[C@H]1CCCN1 Amb27606064 [1,0,0,0,1,0|2,0,0]=4 1985 B10R1.21 CCCNC[C@H]1CCCO1 Amb27466411 [1,0,0,0,1,0|1,0,0]=3 1986 B10R1.21 CCCOCC1CCCN1 Amb27816067 [1,0,0,0,1,0|2,0,0]=4 1987 B10R1.21 CCCOC[C@@H]1CCCN1 Amb17083725 [1,0,0,0,1,0|2,0,0]=4 1988 B10R1.21 CCCSCC1CCCC1 Amb27775688 [1,0,0,0,1,0|1,0,1]=4 1989 B10R1.21 CCCSC[C@@H]1CCCN1 Amb27222876 [1,0,0,0,1,0|2,0,0]=4 1990 B10R1.21 CCCSC[C@H]1CCCN1 Amb28142509 [1,0,0,0,1,0|2,0,0]=4 1991 B10R1.21 CCOCCC1CCCN1 Amb4134991 [1,0,0,0,1,0|2,0,0]=4 1992 B10R1.21 CCSCCC1CCCN1 Amb25261952 [1,0,0,0,1,0|2,0,0]=4 1993 B10R1.21 CNCCCC1=CCCC1 Amb28135278 [1,0,0,0,1,0|1,0,1]=4 1994 B10R1.21 CNCCCC1CCCC1 Amb22586912 [1,0,0,0,1,0|1,0,1]=4 1995 B10R1.21 CNCCCC1CCCC1 Amb8853673 [1,0,0,0,1,0|1,0,1]=4 1996 B10R1.21 CNCCCC1CCCO1 Amb10607820 [1,0,0,0,1,0|1,0,0]=3 1997 B10R1.21 CNCCCC1CCCS1 Amb27482007 [1,0,0,0,1,0|1,1,0]=4 1998 B10R1.21 COCCCC1CCCN1 Amb19023186 [1,0,0,0,1,0|2,0,0]=4 1999 B10R1.21 CONCCC1CCCO1 Amb27834332 [1,0,0,0,1,0|2,0,0]=4 2000 B10R1.21 CSCCCC1CCCN1 Amb18311378 [1,0,0,0,1,0|2,0,0]=4 2001 B10R1.21 CSCSCC1CCCO1 Amb27203510 [1,0,0,0,1,0|2,0,0]=4 2002 B10R1.21 ClCCCCC1CCCC1 Amb24480526 [1,0,0,0,1,0|1,0,1]=4 2003 B10R1.21 ClCCCCC1CCCO1 Amb25318134 [1,0,0,0,1,0|1,0,0]=3 2004 B10R1.21 ClCCCCC1OCCO1 Amb22228112 [1,0,0,0,1,0|2,0,0]=4 2005 B10R1.21 ClCCNCC1CCCO1 Amb17334589 [1,0,0,0,1,0|2,0,0]=4 2006 B10R1.21 NCCCCC1CCCC1 Amb17569962 [1,0,0,0,1,0|1,0,1]=4 2007 B10R1.21 NCCCCC1CCCO1 Amb10607819 [1,0,0,0,1,0|1,0,0]=3 2008 B10R1.21 NCCCCC1CCCO1 Amb22587022 [1,0,0,0,1,0|1,0,0]=3 2009 B10R1.21 NCCCCC1CCCS1 Amb33416799 [1,0,0,0,1,0|1,1,0]=4 2010 B10R1.21 NCCCOC1CCCO1 Amb33341887 [1,0,0,0,1,0|2,0,0]=4 2011 B10R1.21 NCCNCC1CCCO1 Amb17091022 [1,0,0,0,1,0|2,0,0]=4 2012 B10R1.21 NCCNC[C@@H]1CCCO1 Amb27172733 [1,0,0,0,1,0|2,0,0]=4 2013 B10R1.21 NCCOCC1CCCO1 Amb9711203 [1,0,0,0,1,0|2,0,0]=4 2014 B10R1.21 NCCSCC1CCCO1 Amb6270725 [1,0,0,0,1,0|2,0,0]=4 2015 B10R1.21 NNCCCC1CCCO1 Amb28255945 [1,0,0,0,1,0|2,0,0]=4 2016 B10R1.21 O=CCCCC1CCCO1 Amb25714393 [1,0,0,0,1,0|1,0,1]=4 2017 B10R1.21 OCCCCC1=CCCC1 Amb28077745 [1,0,0,0,1,0|1,0,1]=4 2018 B10R1.21 OCCCCC1C=CCC1 Amb28139719 [1,0,0,0,1,0|1,0,1]=4 2019 B10R1.21 OCCCCC1CCCC1 Amb25228243 [1,0,0,0,1,0|1,0,1]=4 2020 B10R1.21 OCCCCC1CCCO1 Amb25321554 [1,0,0,0,1,0|1,0,0]=3 2021 B10R1.21 OCCCCC1CCCS1 Amb27766950 [1,0,0,0,1,0|1,1,0]=4 2022 B10R1.21 OCCNCC1CCCO1 Amb6713921 [1,0,0,0,1,0|2,0,0]=4 2023 B10R1.21 OCCOCC1CCCO1 Amb19960018 [1,0,0,0,1,0|2,0,0]=4 2024 B10R1.21 SCCCCC1CCCC1 Amb33377954 [1,0,0,0,1,0|1,0,1]=4 2025 B10R1.24 O=C1CC(CCCCO)O1 Amb28079077 [0,0,0,0,2,0|1,0,0]=3 2026 B10R1.24 O=C1CC(CSCCO)O1 Amb28050783 [0,0,0,0,2,0|2,0,0]=4 2027 B10R1.24 O=CCCCC1CC(=O)O1 Amb27854923 [0,0,0,0,2,0|1,0,1]=4 2028 B10R1.37 CCCCCC1CCC1O Amb32945102 [0,0,0,0,2,0|0,0,2]=4 2029 B10R1.37 CNCCCN1CCC1=O Amb27619422 [0,0,0,0,2,0|2,0,0]=4