0 B9R0.5 CCCCCC(O)CCC HR100209 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 CCCCOC(=O)CC#N HR124420 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.5 CCCCOC(=O)CCS HR144609 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.5 CCOC(=O)CCCCBr HR125890 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.5 CCOC(=O)CCCCN HR148504 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.5 CCOC(=O)COCCCl HR134831 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.5 CCOCCC(=O)OCC HR122912 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.5 CCO\C=C\C(=O)OCC HR108713 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.5 CCO\C=C\C(=O)OCC HR12909 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.5 COCCOC(=O)CC#N HR140049 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.1 CCCC(=O)OCSC HR128277 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCCCC(Br)CCC HR120549 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.1 CCCOC(=O)CCS HR117505 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.1 CCOC(=O)CCCBr HR133499 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.1 CCOC(=O)CCCN HR142861 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.1 CCOC(=O)NCCCl HR139857 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.1 C\C=C\C(=O)CCCC HR108746 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.1 C\C=C\CC(=O)OCC HR142218 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.4 CCCCC#CCCO HR123774 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCCCCCCCBr HR138347 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.4 CCCCCCCCC HR133812 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCCCCCCl HR138099 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.4 CCCCCCCCI HR131564 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.4 CCCCCCCCN HR100583 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 CCCCCCCCN HR125500 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.4 CCCCCCCCO HR101140 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 CCCCCCCCO HR127849 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.4 CCCCNCCCC HR147605 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.4 CCCCOCCC#N HR108305 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.4 CCCCOCCCN HR134450 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 CCCCSCCCC HR138897 [1,0,0,0,0,0|0,1,1]=3 34 B8R0.4 CCCC[SnH4+2]CCCC HR126830 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCC[SnH4+2]CCCC HR135636 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.4 CCCOCCCCCl HR130297 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.4 CCCOCOCCC HR140907 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.4 CCCSSSCCC HR128718 [1,0,0,0,0,0|2,1,0]=4 39 B8R0.4 CCC\C=C\CCCC HR142398 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.4 CC\C=C\CCCCO HR143941 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.4 COCCOCCCN HR141025 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.4 COCCOCCOC HR130221 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.6 C=CC(=O)CCCCC HR128010 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.6 C=CC(=O)OCCOC HR136408 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.6 CCCCCC(=O)CI HR120235 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.6 CCCCCC(=O)SC HR105293 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.6 CCCCCC(O)CC HR112896 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.6 CCCCCC(O)CC HR113840 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.6 CCCCNC(=O)CCl HR147680 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.6 CCCCOC(=O)CO HR135884 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.6 CCCCOC(=O)CS HR123589 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.6 CCC\C=C\C(=O)OC HR101945 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.6 CCC\C=C\C(=O)OC HR138885 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.6 COC(=O)CCCCBr HR132792 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.6 COC(=O)CCCCCl HR117426 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.6 COCCCC(=O)OC HR115734 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.1 CCCCCCC(=O)OCC HR126759 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.1 CCOC(=O)CCCCCBr HR132204 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.1 CCOCCOC(=O)CC#N HR145103 [0,1,0,0,0,0|1,0,1]=3 60 B10R0.2 CCCC(=O)CC(=O)OCC MIJL02701 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.2 CCCC(O)CC(=O)OCC HR135411 [0,1,0,0,0,0|2,0,0]=3 62 B10R0.2 CCOC(=O)OC(=O)OCC HR100350 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.2 CCOC(=O)OC(=O)OCC HR137179 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.2 COCC(=O)OC(=O)COC HR108493 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.3 C=C(C)CCCC(=O)OCC HR109800 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.3 CCCC(=O)OCCC(C)C HR131806 [0,1,0,0,0,0|0,0,0]=1 67 B10R0.3 CCOC(=O)CCCC(C)=O HR116780 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.6 CC(=O)CC(=O)OCCC#N FIJL00502 [0,1,0,0,0,0|1,0,2]=4 69 B10R0.6 CCCCOC(=O)CC(C)C HR122128 [0,1,0,0,0,0|0,0,0]=1 70 B10R0.6 COCCOC(=O)CC(C)=O HR133436 [0,1,0,0,0,0|1,0,1]=3 71 B10R0.19 CCCCC(=O)C(=O)OCC HR137991 [0,1,0,0,0,0|2,0,0]=3 72 B10R0.19 CCCCC(Br)C(=O)OCC HR132160 [0,1,0,0,0,0|2,0,0]=3 73 B10R0.19 CCOC(=O)C(N)CCCN HR134660 [0,1,0,0,0,0|3,0,0]=4 74 B10R0.19 CCOC(=O)C(N)CCCN HR135936 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.19 CCOC(=O)C(N)CCSC HR133032 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.19 CCOC(=O)C(N)CCSC HR133874 [0,1,0,0,0,0|3,0,0]=4 77 B10R0.83 C=C(C#N)C(=O)OCCCC HR111647 [0,1,0,0,0,0|1,0,2]=4 78 B10R0.83 CCCCOC(=O)C(C)CC HR129373 [0,1,0,0,0,0|0,0,0]=1 79 B10R0.91 C#CCOC(=O)NCCCC HR135969 [0,1,0,0,0,0|1,0,2]=4 80 B10R0.91 C=CCOC(=O)CCCCC HR122509 [0,1,0,0,0,0|1,0,2]=4 81 B10R0.91 CCCCOC(=O)CCCC HR144017 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.10 CCCC1CCCC(=O)O1 HR123755 [0,0,0,1,0,0|0,0,0]=1 83 B10R1.10 CCOC1=CC(=O)CCC1 HR144026 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.11 CCOC(=O)C1CCCN1 HR116066 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.11 CCOC(=O)C1CCCO1 HR134451 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.11 CCOC(=O)C1CCNC1 HR114546 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.11 CCOC(=O)C1CCNC1 HR148446 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.11 CCOC(=O)C1CCNC1 HR149036 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.11 N#CCC(=O)C1CCCC1 HR102313 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.25 CCC1CNC(=O)CC1=O HR147910 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.29 CCCCN1CCCC1=O HR130366 [0,0,0,1,0,0|1,0,0]=2 92 B10R1.29 COCCN1CCCC1=O HR103009 [0,0,0,1,0,0|2,0,0]=3 93 B10R1.29 NCCCN1CCCC1=O HR142285 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.29 O=C1CCCN1CCCO HR103322 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.78 O=C1CCCCCCCN1 HR139359 [0,0,0,1,0,0|1,0,0]=2 96 B10R1.137 CCOC(=O)CC1CCO1 HR145749 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.138 CCCC(=O)OCC1CO1 AMSA01602 [0,0,0,1,0,0|1,0,0]=2 98 B10R1.138 CCCC(=O)OCC1CO1 HR129751 [0,0,0,1,0,0|1,0,0]=2 99 B10R1.138 CCCC(=O)OCC1CO1 HR137955 [0,0,0,1,0,0|1,0,0]=2 100 B10R1.138 CCCC(=O)OCC1CO1 HR5780 [0,0,0,1,0,0|1,0,0]=2 101 B10R1.138 CCCC(=O)OCC1CO1 MRXF01107 [0,0,0,1,0,0|1,0,0]=2 102 B10R1.197 CCN1CCNC(=O)CC1 HR113052 [0,0,0,1,0,0|3,0,0]=4 103 B7R0.1 C=CCOCCCC HR129962 [2,0,0,0,0,0|0,0,2]=4 104 B7R0.1 CCCCCCCBr HR134594 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.1 CCCCCCCCl HR120915 [2,0,0,0,0,0|1,0,1]=4 106 B7R0.1 CCCCCCCI HR126873 [2,0,0,0,0,0|1,0,1]=4 107 B7R0.1 CCCCCCCO HR135329 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.1 CCCCCCCS HR126629 [2,0,0,0,0,0|1,0,1]=4 109 B7R0.1 CCCCNCCO HR101726 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.1 CCCCOCCCl HR133392 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.1 CCCNCCCN HR100474 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.1 CCCNCCOC HR103597 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.1 CCCSSCCC HR122302 [2,0,0,0,0,0|1,1,0]=4 114 B7R0.1 CC\C=C\CCCC HR100327 [2,0,0,0,0,0|0,0,1]=3 115 B7R0.1 CC\C=C\CCCO HR144605 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.1 COCCOCCBr HR125362 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.1 COCCOCCO HR127002 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.3 C=CC(=O)OCCC HR144889 [2,0,0,0,0,0|0,0,2]=4 119 B7R0.3 CCCCC(=O)NN HR113250 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.3 CCCCC(O)CC HR100535 [2,0,0,0,0,0|0,0,2]=4 121 B7R0.3 CCCOC(=O)CC HR127273 [2,0,0,0,0,0|0,0,0]=2 122 B7R0.3 COC(=O)CCCBr HR134912 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.3 COC(=O)CCCCl HR131361 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.3 COC(=O)CCCN HR105959 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.3 COCCC(=O)OC HR130750 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.7 C=C(OCC)OCC IVSA07713 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.7 CC#CC(=O)OCC HR127977 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.7 CCCC(=O)OCCl HR123267 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.7 CCCC(=S)OCC HR130469 [2,0,0,0,0,0|0,1,0]=3 130 B7R0.7 CCCC(=S)OCC HR143387 [2,0,0,0,0,0|0,1,0]=3 131 B7R0.7 CCCC(Br)CCC HR101804 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.7 CCCC(N)CCC HR105135 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.7 CCNC(=O)NCC HR128759 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.7 CCOC(=O)CCBr HR132284 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.7 CCOC(=O)CCCl HR147079 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.7 CCOC(=O)CCI HR101944 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.7 CCOC(=O)CCN HR129110 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.7 CCOC(=O)CCS HR135162 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.7 CCOC(=O)CNC HR138266 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.7 CCOC(=O)CNN HR128003 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.7 CCOC(=O)COC HR123443 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.7 CCOC(=O)OCCl HR138904 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.7 CCOS(=O)OCC HR101466 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.7 CCO[PH](=O)OCC HR109664 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.7 O=C(CCCl)CCCl HR2482 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.4 CC(=O)CCCCBr HR125447 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CC(=O)CCCCCl HR124124 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 CC(=O)OCCCCl HR130837 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.4 CCCCNC(N)=O HR125670 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.4 CCCCOC(N)=O HR123655 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.4 CCCCO[P+](=O)O HR109028 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 CCC\C=C\C(C)=O HR30170 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.4 O=C(Cl)OCCCCl HR136628 [2,0,0,0,0,0|2,0,0]=4 155 B9R0.4 CCCOC(=O)CC(C)C HR123585 [1,1,0,0,0,0|0,0,0]=2 156 B9R0.8 CCCOC(=O)C(C)CC HR142970 [1,1,0,0,0,0|0,0,0]=2 157 B9R0.8 C\C=C(\C)C(=O)OCCC HR129262 [1,1,0,0,0,0|0,0,2]=4 158 B9R0.18 CCCCC(=O)CCCC HR140614 [1,1,0,0,0,0|0,0,0]=2 159 B9R0.18 CCCC[P+](=O)CCCC HR118819 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.18 CCCNC(=O)NCCC HR105462 [1,1,0,0,0,0|1,0,0]=3 161 B9R0.18 O=C(CCCCl)CCCCl HR135367 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.34 CCCC(=O)CC(=O)OC HR142969 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.34 CCCC(C)CC(C)CC HR100997 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.34 CCOC(=O)CC(=O)CC HR131188 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.34 CCOC(=O)CC(C)CC HR102263 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.34 CCOC(=O)CC(O)CBr HR123965 [1,1,0,0,0,0|2,0,0]=4 167 B9R0.34 CCOC(=O)CC(O)CBr HR124224 [1,1,0,0,0,0|2,0,0]=4 168 B9R0.34 CCOC(=O)CC(O)CCl HR107822 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.34 CCOC(=O)CC(O)CCl HR123432 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.34 CCOC(=O)CC(O)CCl HR123697 [1,1,0,0,0,0|2,0,0]=4 171 B9R0.35 CCCC(=O)C(=O)OCC HR137737 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.35 CCCC(=O)C(O)CCC HR106180 [1,1,0,0,0,0|0,0,0]=2 173 B9R0.35 CCCC(Br)C(=O)OCC HR135641 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.35 CCCC(C)C(=O)OCC HR130749 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.35 CCCC(N)C(=O)OCC HR128528 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.35 CCOC(=O)C(Br)CCBr HR138648 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.35 CCOC(=O)C(Cl)OCC HR113792 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.48 CC(C)COC(=O)CC#N HR125981 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.48 CCCC(=O)OCC(C)C HR119768 [1,1,0,0,0,0|0,0,0]=2 180 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.48 CCOC(=O)CCC(C)Cl HR102899 [1,1,0,0,0,0|1,0,0]=3 182 B9R0.48 C\C=C\C(=O)OCC(C)C HR133085 [1,1,0,0,0,0|0,0,2]=4 183 B9R0.2 CCCCCCCC(C)O HR140839 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.45 CCCCCCCCCBr HR131831 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.45 CCCCCCCCCI HR142563 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.45 CCCCCCCCCN HR127652 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.45 CCCCCCCCCO HR119697 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.45 CCCCCCCCCO HR129625 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.45 CCCCCCCCCS HR128817 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.45 CCCCCCCCSC HR129003 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.45 CCCCCCCNCC HR104307 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.45 CCCCSSCCCC HR122833 [1,1,0,0,0,0|0,1,1]=4 193 B9R0.45 CCOCCOCCOC HR136512 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.45 CC\C=C\CCCCCO HR109963 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.24 CCC(=O)CCC(=O)CC HR111827 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.24 CCC(=O)OCC(C)CC HR123055 [1,1,0,0,0,0|0,0,0]=2 197 B9R0.24 O=C(CS)OCC(O)CO HR101354 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.47 C=C(C)C(=O)OCCOC HR129605 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.47 CCCCNC(=O)N(C)C HR145345 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.47 CCCCOC(=O)C(C)=O HR124899 [1,1,0,0,0,0|0,0,1]=3 201 B9R0.47 CCCCOC(=O)C(C)C HR144880 [1,1,0,0,0,0|0,0,0]=2 202 B9R0.47 CCCCOC(=O)C(C)O HR123058 [1,1,0,0,0,0|0,0,0]=2 203 B11R0.4 CCCCCCCC(=O)OCC HR135703 [0,2,0,0,0,0|2,0,0]=4 204 B11R0.4 CCCCCCOC(=O)CCC HR111803 [0,2,0,0,0,0|0,0,0]=2 205 B11R0.4 CCOC(=O)CCCCCCBr HR123277 [0,2,0,0,0,0|2,0,0]=4 206 B11R0.4 CCOC(=O)CCCCCCN HR125644 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.4 CC\C=C\CCOC(=O)CCC HR132492 [0,2,0,0,0,0|0,0,0]=2 208 B11R0.81 CCCCCOC(=O)CCCC HR111176 [0,2,0,0,0,0|0,0,0]=2 209 B11R0.155 CCCCCC(=O)C(=O)OCC HR115198 [0,2,0,0,0,0|1,0,1]=4 210 B11R0.155 CCCCCC(Br)C(=O)OCC HR101626 [0,2,0,0,0,0|2,0,0]=4 211 B11R0.155 CCOC(=O)C(N)CCCCN HR136498 [0,2,0,0,0,0|2,0,0]=4 212 B11R0.1 C\C=C\C(=O)OC(C)CC(C)C HR108384 [0,2,0,0,0,0|0,0,2]=4 213 B11R0.6 CC(C)CCOC(=O)CC(C)C HR132069 [0,2,0,0,0,0|0,0,0]=2 214 B11R0.145 CCC(C)C(=O)OCCC(C)C HR123321 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.147 CCCCC(=O)OCCC(C)C HR110855 [0,2,0,0,0,0|0,0,0]=2 216 B11R0.180 CCCC(=O)SCC[N+](C)(C)C HR116425 [0,2,0,0,0,0|1,1,0]=4 217 B11R0.107 CCC(C)COC(=O)CC(C)C HR144506 [0,2,0,0,0,0|0,0,0]=2 218 B11R0.247 CCCCC(F)(F)C(=O)OCC HR118709 [0,2,0,0,0,0|2,0,0]=4 219 B11R0.87 CCCCOC(=O)C(F)(F)CC HR102332 [0,2,0,0,0,0|0,0,0]=2 220 B11R0.120 CCC(C)COC(=O)C(C)CC HR129889 [0,2,0,0,0,0|0,0,0]=2 221 B11R0.46 CCCCCC(=O)OCC(C)C HR142362 [0,2,0,0,0,0|1,0,0]=3 222 B11R0.46 CCCCOC(=O)CCC(C)=O HR130764 [0,2,0,0,0,0|0,0,0]=2 223 B11R0.46 COCCOC(=O)COC(C)=O HR142024 [0,2,0,0,0,0|1,0,1]=4 224 B11R0.140 CCCCCC(=O)CCCCC HR123160 [0,2,0,0,0,0|1,0,0]=3 225 B11R0.140 CCCCCC(=O)OCCCC HR103210 [0,2,0,0,0,0|0,0,0]=2 226 B11R0.140 CCCCNC(=O)NCCCC HR140330 [0,2,0,0,0,0|1,0,0]=3 227 B11R0.140 CCCCNC(=S)NCCCC HR122272 [0,2,0,0,0,0|1,1,0]=4 228 B11R0.140 C\C=C\C=C\C(=O)OCCCC HR122289 [0,2,0,0,0,0|0,0,2]=4 229 B9R1.2 CCC1CC(=O)CCO1 HR120478 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.2 CCC1CCCC(=O)N1 HR146355 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.2 CCC1CCCC(=O)O1 HR115799 [1,0,0,1,0,0|0,0,0]=2 232 B9R1.2 O=C1CCCC(CO)C1 HR121488 [1,0,0,1,0,0|1,0,0]=3 233 B9R1.2 O=C1CCCC(CO)N1 HR145838 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.2 O=C1CCCC(CO)N1 HR145841 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.2 O=C1CCCC(CO)N1 HR145844 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.8 CCCC1CCCCN1 HR117183 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.8 CCOC1=CCCCC1 HR107315 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.8 NCCC1=CCCCC1 HR113892 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.12 CCCCN1CCCC1 HR134206 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.15 COC1CCCNC1=O HR120913 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.15 COC1COCCC1=O HR108975 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.27 CCC1C(=O)CCC1=O HR124455 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.33 CCCN1CCCC1=O HR125417 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.33 NCCN1CCCC1=O HR106125 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.33 O=C1CCCN1CCO HR133780 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.49 CN1CCCC(=O)CC1 HR115762 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.49 CN1CCCC(=O)CC1 HR2443 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.49 CN1CCNC(=O)CC1 HR112731 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.49 CN1CCNC(=O)CC1 HR146772 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.50 NC1CCCCCCC1 HR140139 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.50 O=C1CCCCCCC1 HR129393 [1,0,0,1,0,0|0,0,0]=2 253 B9R1.50 O=C1CCCCCCN1 HR128374 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.50 O=C1CCNCCCN1 HR116529 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.50 OC1CCCCCCC1 HR105676 [1,0,0,1,0,0|0,0,2]=4 256 B9R1.73 CCOC(=O)C1CCC1 HR127166 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.73 CCOC(=O)C1CNC1 HR139224 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.75 CCCC(=O)OC1CO1 PRCQ00205 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.75 CCOC(=O)CC1CC1 HR119908 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.100 CCCNC(=O)C1CC1 HR141530 [1,0,0,1,0,0|1,0,0]=3 261 B9R1.83 CCCCOCC1CO1 HR123131 [1,0,0,1,0,0|1,0,1]=4 262 B9R1.1 CCC1CCC(=O)CC1 HR135707 [1,0,0,1,0,0|1,0,0]=3 263 B9R1.1 CCN1CCC(=O)CC1 HR123520 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.1 CNC1CCC(=O)CC1 HR117712 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.1 COC1CCC(=O)CC1 HR107140 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.1 O=C1CCC(CO)CC1 HR104770 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.1 O=C1CCC(CO)CN1 HR120133 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.11 COC(=O)C1CCCC1 HR103520 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.11 O=C(CCl)C1CCCC1 HR120563 [1,0,0,1,0,0|2,0,0]=4 270 B11R1.16 CCOC(=O)C1CCCCC1 HR127700 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.16 CCOC(=O)C1CCCCN1 HR141821 [0,1,0,1,0,0|2,0,0]=4 272 B11R1.16 CCOC(=O)C1CCCCN1 HR7720 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.16 CCOC(=O)C1CCCNC1 HR122459 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.16 CCOC(=O)C1CCCNC1 HR122723 [0,1,0,1,0,0|2,0,0]=4 275 B11R1.16 CCOC(=O)C1CCCNC1 HR125333 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.16 CCOC(=O)C1CCCNC1 HR130346 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.16 CCOC(=O)C1CCCNC1 HR138549 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.16 CCOC(=O)C1CCNCC1 HR114915 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.16 CCOC(=O)C1CCNCC1 HR150956 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.16 CCOC(=O)C1CCNCC1 IBCQ00402 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.16 CCOC(=O)C1CNCCO1 HR104761 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.16 CCOC(=O)N1CCNCC1 HR126170 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.30 CCOC(=O)CC1CCCN1 HR146017 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.30 CCOC(=O)CC1CCCO1 HR15629 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.101 O=C1CCCCCCCCC1 HR103181 [0,1,0,1,0,0|1,0,0]=3 286 B11R1.180 COCCCN1CCCC1=O HR102697 [0,1,0,1,0,0|1,0,0]=3 287 B11R1.199 CCOC(=O)C1CCCC1O HR108336 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.230 CCCCC1OC(=O)CC1C HR132798 [0,1,0,1,0,0|0,0,0]=2 289 B11R1.34 CCCC1CC(=O)CC(=O)C1 HR119391 [0,1,0,1,0,0|1,0,1]=4 290 B11R1.301 CCC\C=C\C(=O)NC1CC1 HR107907 [0,1,0,1,0,0|1,0,1]=4 291 B11R1.301 CCC\C=C\C(=O)NC1CC1 HR121015 [0,1,0,1,0,0|1,0,1]=4 292 B11R1.17 CCCCC1CCCCC1=O HR135708 [0,1,0,1,0,0|1,0,0]=3 293 B11R1.381 CCN1CCCCC(N)C1=O HR101610 [0,1,0,1,0,0|2,0,0]=4 294 B11R1.819 CCOC(=O)C1(N)CCCC1 HR146183 [0,1,0,1,0,0|2,0,0]=4 295 B11R1.819 CCOC(=O)C1(N)CCCC1 HR146184 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.819 CCOC(=O)C1(O)CCCC1 HR117731 [0,1,0,1,0,0|2,0,0]=4 297 B11R2.106 O=C1CCCN2CCCC12 HR117651 [0,0,0,2,0,0|2,0,0]=4 298 B11R2.678 O=C1CC2CCCC(C1)N2 HR121004 [0,0,0,2,0,0|2,0,0]=4