0 B11R0.6 CC(=O)OCCC(C)OC(C)=O HR143622 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.6 CC(C)=CCC\C(C)=C/C(=O)O HR143336 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.3 C=C(C)CCCC(C)CCO HR132587 [1,0,0,0,0,0|0,0,3]=4 3 B10R0.3 CC(C)=CCCC(C)CC#N HR129238 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.3 CC(C)=CCCC(C)CCO HR122759 [1,0,0,0,0,0|0,0,1]=2 5 B10R0.3 CC(C)=CCCC(C)CCO HR124108 [1,0,0,0,0,0|0,0,1]=2 6 B10R0.3 CC(C)=CCCC(C)CCO HR145531 [1,0,0,0,0,0|0,0,1]=2 7 B10R0.3 CC(C)=CCC\C(C)=C\C=O HR138673 [1,0,0,0,0,0|0,0,2]=3 8 B10R0.3 CC(C)=CCC\C(C)=C\CO HR131591 [1,0,0,0,0,0|0,0,3]=4 9 B10R0.3 CC(C)=CCC\C(C)=C\CO HR137668 [1,0,0,0,0,0|0,0,3]=4 10 B10R0.97 CC(=O)NCSCCC(=O)O HR120791 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.97 CC(C)CCCCCC(=O)O HR101874 [1,0,0,0,0,0|0,0,2]=3 12 B10R0.97 CC(C)CCCCCC(=O)O HR144807 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.97 O=C(O)CCCCCC(=O)O HR125785 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.96 NC(CCC(=O)O)CC(=O)O HR101130 [0,0,0,0,1,0|3,0,0]=4 15 B9R0.1 C=CC(C)CCC=C(C)C HR131255 [2,0,0,0,0,0|0,0,1]=3 16 B9R0.1 CC(C)=CCCC(C)C=O HR132705 [2,0,0,0,0,0|0,0,0]=2 17 B9R0.1 CNC(C)CCC=C(C)C HR140715 [2,0,0,0,0,0|1,0,1]=4 18 B9R0.2 CCCCCCCC(=O)O HR125696 [2,0,0,0,0,0|0,0,2]=4 19 B9R0.4 CCCCC(C)CC(=O)O HR107516 [2,0,0,0,0,0|0,0,1]=3 20 B11R0.145 C=C(C=O)C(C)CCC=C(C)C HR133816 [1,1,0,0,0,0|0,0,1]=3 21 B11R0.180 CC(CC=O)CCCC(C)(C)O HR128145 [1,1,0,0,0,0|0,0,2]=4 22 B11R0.31 CC(C)(C)CCCCCC(=O)O HR129818 [1,1,0,0,0,0|0,0,2]=4 23 B11R0.111 COC(=O)CCCCCC(=O)O HR148870 [1,1,0,0,0,0|1,0,1]=4 24 B13R0.1592 C=CC(C)(CCC=C(C)C)OC(C)=O HR100011 [0,2,0,0,0,0|2,0,0]=4 25 B11R1.157 CC(C)=CC1CC(C)CCO1 HR137561 [1,0,0,1,0,0|0,0,1]=3 26 B11R1.166 CC(C)=C1CCC(C)CC1=O HR130880 [1,0,0,1,0,0|0,0,0]=2 27 B11R1.166 CC1CCC(C(C)C)C(=O)C1 HR127980 [1,0,0,1,0,0|0,0,2]=4 28 B11R1.166 CC1CCC(C(C)C)C(=O)C1 HR134501 [1,0,0,1,0,0|0,0,2]=4 29 B11R1.230 CCCCC1OC(=O)CC1C HR132798 [1,0,0,1,0,0|0,0,2]=4 30 B11R1.742 O=C(O)CC1CCCCCC1 HR118468 [1,0,0,1,0,0|0,0,2]=4 31 B11R1.178 CC(=O)N1CCCC1C(=O)O HR124080 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.178 CC(=O)N1CCCC1C(=O)O HR141675 [1,0,0,1,0,0|2,0,0]=4 33 B11R1.178 CC(=O)N1CCCC1C(=O)O HR142894 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.497 O=C1CCCCC(C(=O)O)C1 HR145688 [1,0,0,1,0,0|1,0,1]=4 35 B11R1.20 CN1CCC(CC(=O)O)CC1 HR149331 [0,0,0,1,1,0|1,0,0]=3 36 B11R1.20 CN1CCC(CC(N)=O)CC1 HR117612 [0,0,0,1,1,0|2,0,0]=4 37 B11R1.20 CN1CCN(CC(=O)O)CC1 HR110177 [0,0,0,1,1,0|2,0,0]=4 38 B11R1.730 CC1(C)CC(C(=O)O)CCO1 HR114645 [0,0,0,1,1,0|1,0,1]=4 39 B13R1.165 CC1CCC(C(C)C)C(C(=O)O)C1 HR101886 [0,0,0,1,0,1|0,0,2]=4 40 B13R1.585 CC(=O)N1CCC(CC(=O)O)CC1 HR113679 [0,1,0,1,0,0|2,0,0]=4 41 B13R1.585 CC(C)N1CCC(CC(=O)O)CC1 HR149410 [0,1,0,1,0,0|1,0,1]=4 42 B13R2.5151 CC1=COC(=O)C2C(C)CCC12 HR117998 [0,0,0,2,0,0|0,0,2]=4 43 B9R0.47 CCCCCC(C)C(=O)O HR134298 [1,0,0,0,1,0|0,0,2]=4 44 B9R0.55 CC(=O)CCCCC(=O)O HR100799 [1,0,0,0,1,0|1,0,0]=3 45 B9R0.55 CC(=O)NCCCC(=O)O HR115016 [1,0,0,0,1,0|2,0,0]=4 46 B9R0.55 CC(C)CCCCC(=O)O HR141572 [1,0,0,0,1,0|0,0,1]=3 47 B9R0.55 CC(C)CCCCC(=O)[O-] HR103452 [1,0,0,0,1,0|0,0,2]=4 48 B9R0.55 CC(C)CCCCC(=O)[O-] HR143901 [1,0,0,0,1,0|0,0,2]=4 49 B9R0.55 O=C(O)CCCCC(=O)O HR127775 [1,0,0,0,1,0|2,0,0]=4 50 B9R0.55 O=C(O)CCCCC(=O)O HR137867 [1,0,0,0,1,0|2,0,0]=4 51 B9R0.7 CC(=O)SCC(C)C(=O)O HR133969 [0,0,0,0,2,0|2,0,0]=4 52 B9R0.7 CC(=O)SCC(C)C(=O)O HR145506 [0,0,0,0,2,0|2,0,0]=4 53 B9R0.7 CC(C)CCC(N)C(=O)O HR144426 [0,0,0,0,2,0|1,0,1]=4 54 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [0,0,0,0,2,0|2,0,0]=4 55 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [0,0,0,0,2,0|2,0,0]=4 56 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [0,0,0,0,2,0|2,0,0]=4 57 B9R0.7 C[S+](C)CCC(N)C(=O)O HR141889 [0,0,0,0,2,0|2,0,0]=4 58 B9R0.53 CC(C)CC(N)CC(=O)O HR135813 [0,0,0,0,2,0|1,0,1]=4 59 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [0,0,0,0,2,0|2,0,0]=4 60 B11R0.46 CCCCCC(C)CCC(=O)O HR142870 [1,0,0,0,0,1|0,0,2]=4 61 B11R0.30 CC(=O)NCCCCCC(=O)O HR129072 [1,0,0,0,0,1|1,0,1]=4 62 B11R0.30 CC(C)CCCCCCC(=O)O HR100536 [1,0,0,0,0,1|0,0,2]=4 63 B13R0.1398 CC(=O)CCCC(C)CCC=C(C)C HR145355 [0,0,0,0,0,2|1,0,0]=3 64 B13R0.1398 CC(=O)CC\C=C(\C)CCC=C(C)C HR133049 [0,0,0,0,0,2|1,0,1]=4 65 B13R0.1398 CC(=O)CC\C=C(\C)CCC=C(C)C HR135098 [0,0,0,0,0,2|1,0,1]=4 66 B13R0.1398 CC(=O)OCCC(C)CCC=C(C)C HR131408 [0,0,0,0,0,2|1,0,0]=3 67 B13R0.1398 CC(=O)OC\C=C(\C)CCC=C(C)C HR135145 [0,0,0,0,0,2|1,0,1]=4 68 B13R0.1398 CC(=O)OC\C=C(\C)CCC=C(C)C HR138710 [0,0,0,0,0,2|1,0,1]=4