0 B7R0.4 CC(C)CCCC=O HR117171 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCOCC=C(C)C HR111947 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 CCO[SiH2]C=C(C)C HR136449 [0,0,0,0,0,0|1,1,1]=3 3 B6R0.4 C=CCOC(C)=S HR100810 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CC(C)=NNC=O HR117540 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 CC(C)CCC=O HR118427 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.4 CN(C)\C=C\C=O HR126291 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 O=CCCC(=O)O HR134907 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C=COCCCC PAJB01004 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 O=CCCCC=O HR141217 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 O=CO[Co]OC=O HR143707 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 O=CO[Cu]OC=O HR117180 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.5 CCOC(=O)C=C(C)C HR123584 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.28 CC(=O)OCC=C(C)C HR128839 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.28 CC(=O)O[Cr]OC(C)=O HR101689 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.28 CC(=O)O[Cu]OC(C)=O HR147597 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.28 CC(=O)O[PbH2]OC(C)=O HR100545 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.28 CC(=O)O[Rh]OC(C)=O HR115559 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.28 CC(=O)O[Rh]OC(C)=O HR132892 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.28 CC(C)CCOC(=O)Cl HR143844 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.1 CC1=CN=C(C=O)N1 HR107317 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.1 Cc1csc(C=O)n1 HR121106 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.19 CC1(C)CCCC1=O HR113458 [0,0,0,1,0,0|1,0,2]=4 46 B5R0.1 C=C(C)CCO HR139358 [2,0,0,0,0,0|0,0,2]=4 47 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 C=CCN(C)C HR103500 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 C=CC[SiH](C)C HR121456 [2,0,0,0,0,0|1,1,0]=4 50 B5R0.1 C=COC(C)C HR122658 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CC(=O)NCO HR105862 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(=O)OC=O HR100841 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CC(=O)\C=N\O HR126710 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(C)=CC=O HR138342 [2,0,0,0,0,0|0,0,0]=2 56 B5R0.1 CC(C)=CCBr HR133883 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CC(C)=CCCl HR127820 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 CC(C)=CCN HR114772 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 CC(C)=CCO HR138609 [2,0,0,0,0,0|0,0,0]=2 60 B5R0.1 CC(C)=CCS HR143870 [2,0,0,0,0,0|0,1,0]=3 61 B5R0.1 CC(C)=C[Mg]Br HR109568 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 CC(C)=C[SiH2]Cl HR107199 [2,0,0,0,0,0|1,1,0]=4 63 B5R0.1 CC(C)O[AlH3]=O HR145538 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 CN(C)CCO HR147675 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.2 C=CCCC=C HR145060 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|0,0,2]=4 70 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 C\C=C\OCC HR128979 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.2 NOC\C=C\Cl HR136847 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 O=CCCC=O HR100601 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 O=COCCO HR145529 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.2 COC(=O)C=C(C)C HR125078 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.6 C=C(C)COC(C)=O HR110682 [1,1,0,0,0,0|0,0,1]=3 78 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.6 CC(=O)CNC(C)=O HR146276 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.6 CC(=O)COC(C)=O HR123551 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.6 CC(=O)NCC(=O)O HR138579 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.6 CC(C)=CC=C(C)C HR147224 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.6 CC(C)=CC=C(Cl)Cl HR111834 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.6 CC(C)=CCC(=O)O HR108591 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.6 CC(C)=NNC(N)=O AZXF00311 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.6 CC(C)CCC(=O)Cl HR101969 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.6 CC(C)CCC(=O)O HR141883 [1,1,0,0,0,0|0,0,2]=4 93 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [1,1,0,0,0,0|0,0,2]=4 94 B7R0.6 CN(C)CCC(=O)O HR114553 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.6 CN(C)CCC(=O)O HR147791 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.6 C[S+](C)CCC(=O)O HR107679 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.1 CC\C=C\C=C\C=O HR130022 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.1 O=COCCOC=O HR101581 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.7 C=COC(=O)\C=C\C HR129020 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.1 C=CC(=C)CCC=C(C)C HR126538 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.1 C=CC(=O)OCCN(C)C HR125499 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.1 C=CC(C)CCC=C(C)C HR131255 [0,2,0,0,0,0|2,0,0]=4 104 B9R0.1 CC(C)=CCCC(C)C=O HR132705 [0,2,0,0,0,0|1,0,0]=3 105 B9R0.1 CC\C(C)=C/CCC(C)=O HR145625 [0,2,0,0,0,0|1,0,0]=3 106 B9R0.1 COC(C)CCOC(=O)Cl HR144813 [0,2,0,0,0,0|0,0,2]=4 107 B9R0.55 CC(=O)OCCOC(C)=O HR119575 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.7 CN(C)C(=O)CCC(=O)O HR103778 [0,2,0,0,0,0|2,0,0]=4 109 B9R0.56 CC(=O)OCC[N+](C)(C)C HR111937 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.56 CC(=O)OCC[N+](C)(C)C HR125961 [0,2,0,0,0,0|1,0,1]=4 111 B9R0.56 CC(=O)OCC[N+](C)(C)C HR136481 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.56 CC(=O)OCC[Si](C)(C)Cl HR111882 [0,2,0,0,0,0|0,1,1]=4 113 B7R1.2 CC1=CC(=O)CC1 HR137516 [1,0,0,1,0,0|0,0,2]=4 114 B7R1.2 CC1=CC(=O)CO1 HR119186 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.2 CC1=CC(=O)OC1 HR118210 [1,0,0,1,0,0|0,0,1]=3 116 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.2 CC1=COC(N)=N1 HR115657 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 CC1=NNC(=O)C1 HR133577 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.2 Cc1coc(C)n1 HR130593 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.2 NC1COC(=O)C1 HR14757 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.2 NC1COC(=O)C1 HR14758 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.2 O=C1C=C(O)CO1 HR100679 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.2 O=C1CC(O)CO1 HR126625 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.2 O=C1CC(O)CO1 HR127054 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.2 O=C1CCC(=O)C1 HR130125 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.2 O=C1COC(=O)C1 HR100364 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.2 O=C1COC(=O)N1 HR103401 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 CC1=CCC=CC1 HR142661 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.4 C=C1CCOC1=O HR130328 [1,0,0,1,0,0|0,0,2]=4 138 B7R1.4 CC1=C(C)ON=C1 HR105616 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.4 O=C1CCC=C1O HR148600 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.4 O=C1OCC=C1Br HR102966 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.41 CC(=O)C1CCOC1=O HTXM01002 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.41 CC(=O)N1C=COC1=O HR111374 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.53 CC(=O)OC1CC(=O)C1 HR120188 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.53 CC(=O)OC1CC(=O)N1 HR124739 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.53 CC(=O)OC1CC(=O)N1 HR137214 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,1,0,0|0,0,2]=4 149 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,1,0,1,0,0|0,0,2]=4 150 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,1,0,1,0,0|0,0,2]=4