0 B13R0.2 CCCCCC=CCCC(=O)OCC TS18678 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.2 CCCCCC=CCOC(=O)CCC TS54083 [0,0,0,0,0,0|0,0,2]=2 2 B13R0.2 CCCCCCCC=CC(=O)OCC TS54088 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.2 CCCCCCCCCC(=O)CCC TS54094 [0,0,0,0,0,0|1,0,0]=1 4 B13R0.2 CCCCCCCCCC(=O)OC=C TS54076 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.2 CCCCCCCCCC(=O)OCC TS19068 [0,0,0,0,0,0|2,0,0]=2 6 B13R0.2 CCCCCCCCCC(CCC)O TS19082 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.2 CCCCCCCCOC(=O)CC#N TS53876 [0,0,0,0,0,0|1,0,1]=2 8 B13R0.2 CCCCCCCCOC(=O)CCS TS49497 [0,0,0,0,0,0|1,0,0]=1 9 B13R0.2 CCOC(=O)CCCCCCCCBr TS68924 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.1 CCCCCCC#CC(=O)OCC TS48315 [1,0,0,0,0,0|1,0,2]=4 11 B12R0.1 CCCCCCCCC(=O)CCC TS48635 [1,0,0,0,0,0|0,0,0]=1 12 B12R0.1 CCCCCCCCC(=O)OCC TS48949 [1,0,0,0,0,0|1,0,0]=2 13 B12R0.1 CCCCCCCCC(CCC)O TS15699 [1,0,0,0,0,0|0,0,2]=3 14 B12R0.1 CCCCCCCOC(=O)CCC TS48955 [1,0,0,0,0,0|0,0,0]=1 15 B12R0.1 CCOC(=O)CCCCCCCBr TS56136 [1,0,0,0,0,0|2,0,0]=3 16 B12R0.1 CCOC(=O)CCCCCCCCl TS20295 [1,0,0,0,0,0|2,0,0]=3 17 B12R0.5 CCC=CCCCCCCCCO TS48645 [1,0,0,0,0,0|2,0,1]=4 18 B12R0.5 CCCC=CCCCCCCCO TS48644 [1,0,0,0,0,0|2,0,0]=3 19 B12R0.5 CCCCCCCCCC=CCO TS48639 [1,0,0,0,0,0|2,0,1]=4 20 B12R0.5 CCCCCCCCCCCCBr TS00034 [1,0,0,0,0,0|2,0,1]=4 21 B12R0.5 CCCCCCCCCCCCC TS15357 [1,0,0,0,0,0|1,0,1]=3 22 B12R0.5 CCCCCCCCCCCCC TS68874 [1,0,0,0,0,0|1,0,1]=3 23 B12R0.5 CCCCCCCCCCCCCl TS38729 [1,0,0,0,0,0|2,0,1]=4 24 B12R0.5 CCCCCCCCCCCCF TS50804 [1,0,0,0,0,0|2,0,1]=4 25 B12R0.5 CCCCCCCCCCCCN TS48782 [1,0,0,0,0,0|2,0,1]=4 26 B12R0.5 CCCCCCCCCCCCN TS50032 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.5 CCCCCCCCCCCCN TS62201 [1,0,0,0,0,0|2,0,1]=4 28 B12R0.5 CCCCCCCCCCCCO TS15700 [1,0,0,0,0,0|2,0,1]=4 29 B12R0.5 CCCCCCCCCCCCS TS19472 [1,0,0,0,0,0|2,0,1]=4 30 B12R0.5 CCCCCCCCNCCNC TS48970 [1,0,0,0,0,0|2,0,1]=4 31 B12R0.5 CCCCCCNCCCCCC TS48779 [1,0,0,0,0,0|2,0,1]=4 32 B12R0.5 CCCCCCOCCCCCC TS48967 [1,0,0,0,0,0|2,0,1]=4 33 B12R0.5 CCCCCCSCCCCCC TS19470 [1,0,0,0,0,0|2,0,1]=4 34 B12R0.5 CCCCCC[Hg]CCCCCC TS66855 [1,0,0,0,0,0|2,0,1]=4 35 B12R0.248 CCCCC=CCCOC(=O)CC TS48616 [1,0,0,0,0,0|0,0,2]=3 36 B12R0.248 CCCCCCCC=CC(=O)OC TS48606 [1,0,0,0,0,0|2,0,1]=4 37 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [1,0,0,0,0,0|1,0,0]=2 38 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [1,0,0,0,0,0|2,0,0]=3 39 B12R0.248 CCCCCCCCCC(CC)O TS48965 [1,0,0,0,0,0|1,0,2]=4 40 B12R0.248 CCCCCCCCOC(=O)C=C TS48619 [1,0,0,0,0,0|0,0,2]=3 41 B12R0.248 CCCCCCCCOC(=O)CBr TS28166 [1,0,0,0,0,0|1,0,0]=2 42 B12R0.248 CCCCCCCCOC(=O)CN TS23756 [1,0,0,0,0,0|1,0,0]=2 43 B12R0.248 COC(=O)CCCCCCCCO TS50771 [1,0,0,0,0,0|3,0,0]=4 44 B14R0.83 CCCCCCCCC(C(=O)OCC)Br TS54216 [0,1,0,0,0,0|2,0,0]=3 45 B14R0.181 CCCCCCCCOC(=O)C(C)CC TS21756 [0,1,0,0,0,0|0,0,0]=1 46 B14R0.391 CCCCCCCCCC(=O)OC(C)C TS21751 [0,1,0,0,0,0|2,0,0]=3 47 B14R0.391 CCCCCCCCOC(=O)CC(=O)C TS21735 [0,1,0,0,0,0|0,0,1]=2 48 B14R0.393 CCCCCCCCC#CC(=O)OCC TS20982 [0,1,0,0,0,0|2,0,0]=3 49 B14R0.393 CCCCCCCCCCC(=O)CCC TS44249 [0,1,0,0,0,0|1,0,0]=2 50 B14R0.393 CCCCCCCCCCC(=O)OCC TS21753 [0,1,0,0,0,0|2,0,0]=3 51 B14R0.393 CCCCCCCCCCC(C)CCC TS21395 [0,1,0,0,0,0|2,0,1]=4 52 B14R0.393 CCOC(=O)CCCCCCCCC=C TS44232 [0,1,0,0,0,0|2,0,1]=4 53 B14R0.432 CC(C)CCCCCCOC(=O)CCS TS53375 [0,1,0,0,0,0|1,0,0]=2 54 B14R0.493 CCCCCCCCCC(=O)CCCC TS21386 [0,1,0,0,0,0|1,0,0]=2 55 B14R0.493 CCCCCCCCCC(=O)OCCC TS21745 [0,1,0,0,0,0|1,0,0]=2 56 B14R1.26 CCCCCCCC1CCCC(=O)O1 TS18684 [0,0,0,1,0,0|0,0,0]=1 57 B14R1.216 CCCCCC=CCC1CCCC1=O TS51910 [0,0,0,1,0,0|1,0,2]=4 58 B14R1.216 CCCCCCCCN1CCCC1=O TS60154 [0,0,0,1,0,0|1,0,0]=2 59 B14R1.4408 C1CCCCCC(=O)NCCCCC1 TS18492 [0,0,0,1,0,0|1,0,0]=2 60 B14R1.7343 CCOC(=O)C=C1CCCCCCC1 TS18310 [0,0,0,1,0,0|2,0,1]=4 61 B11R0.3 CCCCCCCCC=CCO TS12884 [2,0,0,0,0,0|1,0,1]=4 62 B11R0.3 CCCCCCCCCCCC TS45211 [2,0,0,0,0,0|0,0,1]=3 63 B11R0.3 CCCCCCCCCCCCl TS51219 [2,0,0,0,0,0|1,0,1]=4 64 B11R0.3 CCCCCCCCCCCF TS13565 [2,0,0,0,0,0|1,0,1]=4 65 B11R0.3 CCCCCCCCCCCN TS45371 [2,0,0,0,0,0|1,0,1]=4 66 B11R0.3 CCCCCCCCCCCO TS45537 [2,0,0,0,0,0|1,0,1]=4 67 B11R0.3 CCCCCCCCCCCS TS50816 [2,0,0,0,0,0|1,0,1]=4 68 B11R0.3 CCCCCCCCCCNC TS45367 [2,0,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCCCOC TS45542 [2,0,0,0,0,0|1,0,1]=4 70 B11R0.3 CCCCCCCCNCCN TS13245 [2,0,0,0,0,0|2,0,0]=4 71 B11R0.3 CCCCCCCCOCC=C TS45199 [2,0,0,0,0,0|0,0,2]=4 72 B11R0.3 CCCCCCCCOCC=O TS45516 [2,0,0,0,0,0|1,0,1]=4 73 B11R0.3 CCCCCCCCOCCO TS45839 [2,0,0,0,0,0|1,0,0]=3 74 B11R0.3 CCCCCCCCSCCCl TS43568 [2,0,0,0,0,0|1,1,0]=4 75 B11R0.3 CCCCCCCCSCCO TS51196 [2,0,0,0,0,0|1,1,0]=4 76 B11R0.3 CCCCCOCCOCCO TS46149 [2,0,0,0,0,0|2,0,0]=4 77 B11R0.3 CCCCOCCOCCCC TS45833 [2,0,0,0,0,0|1,0,1]=4 78 B11R0.4 CCCC(=O)OCCC=CCC TS12852 [2,0,0,0,0,0|0,0,2]=4 79 B11R0.4 CCCC=CCOC(=O)CCC TS45154 [2,0,0,0,0,0|0,0,2]=4 80 B11R0.4 CCCCCCCC(=O)OCC TS45501 [2,0,0,0,0,0|1,0,0]=3 81 B11R0.4 CCCCCCCC(CCC)O TS45536 [2,0,0,0,0,0|0,0,2]=4 82 B11R0.4 CCCCCCOC(=O)CCC TS45526 [2,0,0,0,0,0|0,0,0]=2 83 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [2,0,0,0,0,0|2,0,0]=4 84 B11R0.4 CCOC(=O)CCCCCCN TS20825 [2,0,0,0,0,0|2,0,0]=4 85 B11R0.4 CCOC(=O)CCCCCCN TS45672 [2,0,0,0,0,0|2,0,0]=4 86 B11R0.40 CCCCCCCCC(=O)CC TS12886 [2,0,0,0,0,0|0,0,0]=2 87 B11R0.40 CCCCCCCCC(=O)OC TS45510 [2,0,0,0,0,0|1,0,0]=3 88 B11R0.40 CCCCCCCCC(CC)O TS45539 [2,0,0,0,0,0|0,0,2]=4 89 B11R0.148 CC(=O)OCCCCCCC=C TS12859 [2,0,0,0,0,0|0,0,2]=4 90 B11R0.148 CCCCCC=CCOC(=O)C TS45165 [2,0,0,0,0,0|0,0,2]=4 91 B11R0.148 CCCCCCCCCC(=C)C TS12605 [2,0,0,0,0,0|2,0,0]=4 92 B11R0.148 CCCCCCCCCC(=O)C TS45200 [2,0,0,0,0,0|1,0,0]=3 93 B11R0.148 CCCCCCCCCC(=O)N TS13057 [2,0,0,0,0,0|2,0,0]=4 94 B11R0.148 CCCCCCCCCC(=O)O TS45503 [2,0,0,0,0,0|2,0,0]=4 95 B11R0.148 CCCCCCCCCC(=O)[O-] TS69521 [2,0,0,0,0,0|2,0,0]=4 96 B11R0.148 CCCCCCCCCC(=O)[O-] TS84361 [2,0,0,0,0,0|2,0,0]=4 97 B11R0.148 CCCCCCCCCC(=O)[O-] TS92951 [2,0,0,0,0,0|2,0,0]=4 98 B11R0.148 CCCCCCCCOC(=O)C TS45519 [2,0,0,0,0,0|0,0,0]=2 99 B11R0.148 CCCCCCCCOC(=O)Cl TS51574 [2,0,0,0,0,0|1,0,0]=3 100 B11R0.148 CCOCCOCCOC(=O)C TS46094 [2,0,0,0,0,0|2,0,0]=4 101 B13R0.66 CCCCCCCCC(=C)CCCC TS18338 [1,1,0,0,0,0|1,0,0]=3 102 B13R0.66 CCCCCCCCC(=O)OCC=C TS54075 [1,1,0,0,0,0|0,0,2]=4 103 B13R0.66 CCCCCCCCC(CCCC)O TS19080 [1,1,0,0,0,0|0,0,2]=4 104 B13R0.66 CCCCCCCCS(=O)CCCCl TS57178 [1,1,0,0,0,0|1,0,0]=3 105 B13R0.66 CCCCCCCNC(=O)CCCO TS19254 [1,1,0,0,0,0|1,0,0]=3 106 B13R0.88 CC(C)CCCCCOC(=O)CCS TS22493 [1,1,0,0,0,0|1,0,0]=3 107 B13R0.330 CCCCCCC(C)OC(=O)CC#N TS09402 [1,1,0,0,0,0|1,0,1]=4 108 B13R0.335 CCCCCCCOC(=O)CC(=O)C TS37949 [1,1,0,0,0,0|0,0,1]=3 109 B13R0.367 CCCC(=O)OCCOC(=O)CCC TS38279 [1,1,0,0,0,0|1,0,1]=4 110 B13R0.367 CCOC(=O)CCCCC(CCCl)Cl TS02267 [1,1,0,0,0,0|2,0,0]=4 111 B13R0.367 CCOC(=O)CCCCC(CCCl)O TS23593 [1,1,0,0,0,0|2,0,0]=4 112 B13R0.54 CCCCCCCCCCCC(C)Br TS29897 [1,1,0,0,0,0|1,0,1]=4 113 B13R0.54 CCCCCCCCCCCC(C)C TS54110 [1,1,0,0,0,0|1,0,1]=4 114 B13R0.54 CCCCCCCCCCCC(C)N TS37784 [1,1,0,0,0,0|1,0,1]=4 115 B13R0.54 CCCCCCCCCCCC(C)O TS19079 [1,1,0,0,0,0|1,0,1]=4 116 B13R0.147 CCCCCCCCCCC(C)CC TS54109 [1,1,0,0,0,0|1,0,1]=4 117 B13R0.147 CCCCCCCCCCC(CC)O TS19081 [1,1,0,0,0,0|1,0,1]=4 118 B13R0.165 CCCCCCC(CCCCCC)O TS19084 [1,1,0,0,0,0|1,0,1]=4 119 B13R0.165 CCCCOCC(COCCCC)O TS19818 [1,1,0,0,0,0|1,0,1]=4 120 B13R0.336 CCCCCCCCC=CCCCO TS54097 [1,1,0,0,0,0|1,0,0]=3 121 B13R0.336 CCCCCCCCCCCCCBr TS29898 [1,1,0,0,0,0|1,0,1]=4 122 B13R0.336 CCCCCCCCCCCCCC TS54111 [1,1,0,0,0,0|1,0,1]=4 123 B13R0.336 CCCCCCCCCCCCCN TS37785 [1,1,0,0,0,0|1,0,1]=4 124 B13R0.336 CCCCCCCCCCCCCO TS19086 [1,1,0,0,0,0|1,0,1]=4 125 B13R0.336 CCCCCCCCCCCCC[SiH3] TS71929 [1,1,0,0,0,0|1,0,1]=4 126 B13R0.336 CCCCCCCCCCCCNC TS37782 [1,1,0,0,0,0|1,0,1]=4 127 B13R0.336 CCCCCCCCCCCCSC TS49165 [1,1,0,0,0,0|1,0,1]=4 128 B13R0.338 CCCCCCCC(CCCCC)O TS19083 [1,1,0,0,0,0|1,0,1]=4 129 B13R0.150 CCCCCCCCCC(=O)N(C)C TS37778 [1,1,0,0,0,0|2,0,0]=4 130 B13R0.274 CCCCCCCC(CC(=O)OC)O TS19446 [1,1,0,0,0,0|2,0,0]=4 131 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC TS24399 [0,2,0,0,0,0|2,0,0]=4 132 B15R0.3221 CCCCCCCCOC(=O)CC(=O)CCl TS62660 [0,2,0,0,0,0|0,0,1]=3 133 B15R0.366 CCCCCCCCCCCC(=O)OCC TS52723 [0,2,0,0,0,0|2,0,0]=4 134 B15R0.366 CCCCCCCCCCOC(=O)CCC TS52719 [0,2,0,0,0,0|0,0,0]=2 135 B15R0.366 CCOC(=O)CCCCCCCCCCBr TS58376 [0,2,0,0,0,0|2,0,0]=4 136 B15R0.110 CCCC(=O)OCCC(C)CCC=C(C)C TS52401 [0,2,0,0,0,0|0,0,2]=4 137 B15R0.88 CCCCCCCCCC(=O)OCC(C)C TS52715 [0,2,0,0,0,0|1,0,0]=3 138 B15R0.322 CCCCCCCC=CC(=O)OCCCC TS52387 [0,2,0,0,0,0|1,0,1]=4 139 B15R0.322 CCCCCCCCCC(=O)CCCCC TS24256 [0,2,0,0,0,0|1,0,0]=3 140 B13R1.6 CCC=CCCC1CCCC(=O)O1 TS48316 [1,0,0,1,0,0|0,0,2]=4 141 B13R1.6 CCCCCCC1CCCC(=O)O1 TS48608 [1,0,0,1,0,0|0,0,0]=2 142 B13R1.6 CCCCCCC1CCCC(C1)C TS15045 [1,0,0,1,0,0|1,0,1]=4 143 B13R1.42 CCOC(=O)CCN1CCCCC1 TS15479 [1,0,0,1,0,0|2,0,0]=4 144 B13R1.119 CCCCCCCCC1CCCC1 TS83435 [1,0,0,1,0,0|1,0,1]=4 145 B13R1.279 C1CCCCCC(=O)CCCCC1 TS48333 [1,0,0,1,0,0|0,0,0]=2 146 B13R1.279 C1CCCCCC(CCCCC1)Br TS62423 [1,0,0,1,0,0|1,0,1]=4 147 B13R1.279 C1CCCCCC(CCCCC1)N TS15173 [1,0,0,1,0,0|1,0,1]=4 148 B13R1.279 C1CCCCCC(CCCCC1)O TS48634 [1,0,0,1,0,0|0,0,2]=4 149 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [1,0,0,1,0,0|0,0,0]=2 150 B13R1.279 C=C1CCCCCCCCCCC1 TS47981 [1,0,0,1,0,0|1,0,0]=3 151 B13R1.654 CCCCCCCC1CCCC1=O TS48328 [1,0,0,1,0,0|0,0,0]=2 152 B13R1.654 CCCCCCCC1CCOC1=O TS15321 [1,0,0,1,0,0|1,0,0]=3 153 B13R1.654 CCCCCCCN1CCCC1=O TS48467 [1,0,0,1,0,0|1,0,0]=3 154 B13R1.1575 CCOC(=O)CC1CCCCCC1 TS48618 [1,0,0,1,0,0|1,0,0]=3 155 B13R1.28 CCCCCCCC1CCCCC1 TS15044 [1,0,0,1,0,0|1,0,1]=4 156 B13R1.2883 C1CCCCCCCCCCCC1 TS15043 [1,0,0,1,0,0|1,0,1]=4 157 B13R1.27 CCCCCCCC1CCC(=O)O1 TS15334 [1,0,0,1,0,0|0,0,0]=2 158 B15R1.843 CCCCN1CCCCC1C(=O)OCC TS44388 [0,1,0,1,0,0|2,0,0]=4 159 B15R2.7124 C1CCCC(CC1)N2CCCC(=O)C2 TS46939 [0,0,0,2,0,0|2,0,0]=4