0 B12R0.5 C#CCCCCCCCCCCO TS34609 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.5 C(CCCCC#N)CCCCC#N TS47617 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.5 C(CCCCCBr)CCCCCBr TS76658 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.5 C(CCCCCN)CCCCCN TS48969 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.5 C(CCCCCO)CCCCCBr TS34608 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.5 C(CCCCCO)CCCCCO TS16060 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.5 C(CCCCCO)CCCCCS TS38694 [0,0,0,0,0,0|1,0,0]=1 7 B12R0.5 C(CN)CNCCCNCCCN TS50803 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.5 C(COCCOCCOCCO)N TS17669 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.5 CC#CCCCCCCCCCO TS48330 [0,0,0,0,0,0|0,0,2]=2 10 B12R0.5 CCC=CCCCCCCCCO TS48645 [0,0,0,0,0,0|0,0,2]=2 11 B12R0.5 CCCC=CCCCCCCCO TS48644 [0,0,0,0,0,0|0,0,2]=2 12 B12R0.5 CCCCC#CCCCCCCCl TS19131 [0,0,0,0,0,0|1,0,2]=3 13 B12R0.5 CCCCC=CCCCCCCO TS48647 [0,0,0,0,0,0|0,0,2]=2 14 B12R0.5 CCCCCCCCCC=CC=O TS48324 [0,0,0,0,0,0|0,0,4]=4 15 B12R0.5 CCCCCCCCCC=CCO TS48639 [0,0,0,0,0,0|0,0,2]=2 16 B12R0.5 CCCCCCCCCCCC#C TS47980 [0,0,0,0,0,0|1,0,1]=2 17 B12R0.5 CCCCCCCCCCCC#N TS48132 [0,0,0,0,0,0|1,0,1]=2 18 B12R0.5 CCCCCCCCCCCC=C TS15047 [0,0,0,0,0,0|1,0,1]=2 19 B12R0.5 CCCCCCCCCCCC=O TS48637 [0,0,0,0,0,0|0,0,2]=2 20 B12R0.5 CCCCCCCCCCCCBr TS00034 [0,0,0,0,0,0|1,0,0]=1 21 B12R0.5 CCCCCCCCCCCCC TS15357 [0,0,0,0,0,0|1,0,0]=1 22 B12R0.5 CCCCCCCCCCCCC TS68874 [0,0,0,0,0,0|1,0,0]=1 23 B12R0.5 CCCCCCCCCCCCCl TS38729 [0,0,0,0,0,0|1,0,0]=1 24 B12R0.5 CCCCCCCCCCCCF TS50804 [0,0,0,0,0,0|1,0,0]=1 25 B12R0.5 CCCCCCCCCCCCN TS48782 [0,0,0,0,0,0|1,0,0]=1 26 B12R0.5 CCCCCCCCCCCCN TS50032 [0,0,0,0,0,0|1,0,0]=1 27 B12R0.5 CCCCCCCCCCCCN TS62201 [0,0,0,0,0,0|1,0,0]=1 28 B12R0.5 CCCCCCCCCCCCO TS15700 [0,0,0,0,0,0|0,0,0]=0 29 B12R0.5 CCCCCCCCCCCCS TS19472 [0,0,0,0,0,0|0,1,0]=1 30 B12R0.5 CCCCCCCCCCOC=C TS48642 [0,0,0,0,0,0|2,0,1]=3 31 B12R0.5 CCCCCCCCNCCC#N TS48344 [0,0,0,0,0,0|2,0,1]=3 32 B12R0.5 CCCCCCCCNCCNC TS48970 [0,0,0,0,0,0|3,0,0]=3 33 B12R0.5 CCCCCCNCCCCCC TS48779 [0,0,0,0,0,0|2,0,0]=2 34 B12R0.5 CCCCCCOCCCCCC TS48967 [0,0,0,0,0,0|2,0,0]=2 35 B12R0.5 CCCCCCOCCOCCO TS17148 [0,0,0,0,0,0|2,0,0]=2 36 B12R0.5 CCCCCCSCCCCCC TS19470 [0,0,0,0,0,0|2,0,0]=2 37 B12R0.5 CCCCCC[Hg]CCCCCC TS66855 [0,0,0,0,0,0|2,0,0]=2 38 B11R0.3 C#CCCCCCCCCCO TS44914 [1,0,0,0,0,0|0,0,2]=3 39 B11R0.3 C(CCCCCBr)CCCCBr TS58940 [1,0,0,0,0,0|2,0,0]=3 40 B11R0.3 C(CCCCCBr)CCCCO TS34605 [1,0,0,0,0,0|1,0,0]=2 41 B11R0.3 C(CCCCCCl)CCCCCl TS21104 [1,0,0,0,0,0|2,0,0]=3 42 B11R0.3 C(CCCCCCl)CCCCO TS51578 [1,0,0,0,0,0|1,0,0]=2 43 B11R0.3 C(CCCCCI)CCCCI TS93403 [1,0,0,0,0,0|2,0,0]=3 44 B11R0.3 C(CCCCCN)CCCCN TS45546 [1,0,0,0,0,0|2,0,0]=3 45 B11R0.3 C(CCCCCO)CCCCN TS45677 [1,0,0,0,0,0|1,0,0]=2 46 B11R0.3 C(CCCCCO)CCCCO TS07870 [1,0,0,0,0,0|1,0,0]=2 47 B11R0.3 C(CCCCCS)CCCCS TS20278 [1,0,0,0,0,0|1,1,0]=3 48 B11R0.3 C(CCSCCO)CSCCO TS43873 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.3 C=CCCCCCCCCCBr TS25359 [1,0,0,0,0,0|1,0,2]=4 50 B11R0.3 C=CCCCCCCCCCCl TS16102 [1,0,0,0,0,0|1,0,2]=4 51 B11R0.3 C=CCCCCCCCCCN TS45037 [1,0,0,0,0,0|1,0,2]=4 52 B11R0.3 C=CCCCCCCCCCO TS12885 [1,0,0,0,0,0|0,0,2]=3 53 B11R0.3 CCCCCC#CCCCCC TS43148 [1,0,0,0,0,0|0,0,2]=3 54 B11R0.3 CCCCCCC#CCCCC TS43144 [1,0,0,0,0,0|0,0,2]=3 55 B11R0.3 CCCCCCCCC=CCO TS12884 [1,0,0,0,0,0|0,0,2]=3 56 B11R0.3 CCCCCCCCCCC#C TS43145 [1,0,0,0,0,0|0,0,2]=3 57 B11R0.3 CCCCCCCCCCC=C TS12600 [1,0,0,0,0,0|0,0,2]=3 58 B11R0.3 CCCCCCCCCCC=O TS12882 [1,0,0,0,0,0|0,0,2]=3 59 B11R0.3 CCCCCCCCCCCC TS45211 [1,0,0,0,0,0|0,0,0]=1 60 B11R0.3 CCCCCCCCCCCCl TS51219 [1,0,0,0,0,0|1,0,0]=2 61 B11R0.3 CCCCCCCCCCCF TS13565 [1,0,0,0,0,0|1,0,0]=2 62 B11R0.3 CCCCCCCCCCCN TS45371 [1,0,0,0,0,0|1,0,0]=2 63 B11R0.3 CCCCCCCCCCCO TS45537 [1,0,0,0,0,0|0,0,0]=1 64 B11R0.3 CCCCCCCCCCCS TS50816 [1,0,0,0,0,0|0,1,0]=2 65 B11R0.3 CCCCCCCCCCNC TS45367 [1,0,0,0,0,0|1,0,0]=2 66 B11R0.3 CCCCCCCCCCOC TS45542 [1,0,0,0,0,0|1,0,0]=2 67 B11R0.3 CCCCCCCCCC[Mg]Br TS27354 [1,0,0,0,0,0|2,0,0]=3 68 B11R0.3 CCCCCCCCCOC=O TS13219 [1,0,0,0,0,0|1,0,2]=4 69 B11R0.3 CCCCCCCCNCCN TS13245 [1,0,0,0,0,0|2,0,0]=3 70 B11R0.3 CCCCCCCCOCC=C TS45199 [1,0,0,0,0,0|1,0,2]=4 71 B11R0.3 CCCCCCCCOCC=O TS45516 [1,0,0,0,0,0|1,0,2]=4 72 B11R0.3 CCCCCCCCOCCO TS45839 [1,0,0,0,0,0|1,0,0]=2 73 B11R0.3 CCCCCCCCSCCCl TS43568 [1,0,0,0,0,0|2,0,0]=3 74 B11R0.3 CCCCCCCCSCCO TS51196 [1,0,0,0,0,0|1,0,0]=2 75 B11R0.3 CCCCCOCCOCCO TS46149 [1,0,0,0,0,0|2,0,0]=3 76 B11R0.3 CCCCCSSCCCCC TS20279 [1,0,0,0,0,0|2,0,0]=3 77 B11R0.3 CCCCOCCOCCCC TS45833 [1,0,0,0,0,0|2,0,0]=3 78 B11R0.3 CCCCOCCOCCOC TS46151 [1,0,0,0,0,0|3,0,0]=4 79 B11R0.3 CCNCCCCCCNCC TS45547 [1,0,0,0,0,0|2,0,0]=3 80 B11R0.3 CCOCCOCCOCCO TS14214 [1,0,0,0,0,0|3,0,0]=4 81 B13R0.2 CCCCCCCCCC(=O)CCC TS54094 [0,1,0,0,0,0|1,0,1]=3 82 B13R0.2 CCCCCCCCCC(=O)OCC TS19068 [0,1,0,0,0,0|2,0,1]=4 83 B13R0.2 CCCCCCCCCC(CCC)O TS19082 [0,1,0,0,0,0|1,0,0]=2 84 B13R0.2 CCCCCCCCOC(=O)CCS TS49497 [0,1,0,0,0,0|1,1,1]=4 85 B13R0.2 CCOC(=O)CCCCCCCCBr TS68924 [0,1,0,0,0,0|2,0,1]=4 86 B13R0.54 C(CCCCCBr)CCCCC(=O)O TS68927 [0,1,0,0,0,0|1,0,1]=3 87 B13R0.54 C(CCCCCN)CCCCC(=O)O TS19255 [0,1,0,0,0,0|1,0,1]=3 88 B13R0.54 C(CCCCCO)CCCCC(=O)O TS19440 [0,1,0,0,0,0|1,0,1]=3 89 B13R0.54 C(CCCCCS)CCCCC(=O)O TS22494 [0,1,0,0,0,0|1,0,1]=3 90 B13R0.54 C=CCCCCCCCCCC(=O)O TS18691 [0,1,0,0,0,0|0,0,3]=4 91 B13R0.54 CC(C)CCCCCCCCCCO TS19085 [0,1,0,0,0,0|0,0,0]=1 92 B13R0.54 CCCCCCC=CCCCC(=O)O TS18694 [0,1,0,0,0,0|0,0,3]=4 93 B13R0.54 CCCCCCCCCC=CC(=O)O TS54086 [0,1,0,0,0,0|0,0,3]=4 94 B13R0.54 CCCCCCCCCCCC(=C)C TS18337 [0,1,0,0,0,0|1,0,1]=3 95 B13R0.54 CCCCCCCCCCCC(=O)C TS18716 [0,1,0,0,0,0|0,0,2]=3 96 B13R0.54 CCCCCCCCCCCC(=O)Cl TS49534 [0,1,0,0,0,0|0,0,2]=3 97 B13R0.54 CCCCCCCCCCCC(=O)N TS37777 [0,1,0,0,0,0|0,0,2]=3 98 B13R0.54 CCCCCCCCCCCC(=O)O TS19259 [0,1,0,0,0,0|0,0,1]=2 99 B13R0.54 CCCCCCCCCCCC(=O)O TS37977 [0,1,0,0,0,0|0,0,1]=2 100 B13R0.54 CCCCCCCCCCCC(=O)O TS68181 [0,1,0,0,0,0|0,0,1]=2 101 B13R0.54 CCCCCCCCCCCC(=O)O TS75367 [0,1,0,0,0,0|0,0,1]=2 102 B13R0.54 CCCCCCCCCCCC(=O)O TS93845 [0,1,0,0,0,0|0,0,1]=2 103 B13R0.54 CCCCCCCCCCCC(=O)O TS94033 [0,1,0,0,0,0|0,0,1]=2 104 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS23524 [0,1,0,0,0,0|0,0,2]=3 105 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS57143 [0,1,0,0,0,0|0,0,2]=3 106 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS69918 [0,1,0,0,0,0|0,0,2]=3 107 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS70296 [0,1,0,0,0,0|0,0,2]=3 108 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS73169 [0,1,0,0,0,0|0,0,2]=3 109 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS75123 [0,1,0,0,0,0|0,0,2]=3 110 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS82656 [0,1,0,0,0,0|0,0,2]=3 111 B13R0.54 CCCCCCCCCCCC(C)Br TS29897 [0,1,0,0,0,0|1,0,0]=2 112 B13R0.54 CCCCCCCCCCCC(C)C TS54110 [0,1,0,0,0,0|1,0,0]=2 113 B13R0.54 CCCCCCCCCCCC(C)N TS37784 [0,1,0,0,0,0|1,0,0]=2 114 B13R0.54 CCCCCCCCCCCC(C)O TS19079 [0,1,0,0,0,0|0,0,0]=1 115 B13R0.54 CCCCCCCCCCOC(=O)Cl TS49889 [0,1,0,0,0,0|1,0,2]=4 116 B13R0.66 CCCCCCCCC(=C)CCCC TS18338 [0,1,0,0,0,0|1,0,1]=3 117 B13R0.66 CCCCCCCCC(CCCC)O TS19080 [0,1,0,0,0,0|1,0,0]=2 118 B13R0.66 CCCCCCCCS(=O)CCCCl TS57178 [0,1,0,0,0,0|2,0,0]=3 119 B13R0.66 CCCCCCCNC(=O)CCCO TS19254 [0,1,0,0,0,0|1,0,1]=3 120 B13R0.147 CCCCCCCCCCC(=O)OC TS37967 [0,1,0,0,0,0|2,0,1]=4 121 B13R0.147 CCCCCCCCCCC(C)CC TS54109 [0,1,0,0,0,0|1,0,0]=2 122 B13R0.147 CCCCCCCCCCC(CC)O TS19081 [0,1,0,0,0,0|1,0,0]=2 123 B13R0.147 CCCCCCCCCCC(CCl)Cl TS26351 [0,1,0,0,0,0|1,0,0]=2 124 B13R0.147 CCCCCCCCCCC(CO)O TS19457 [0,1,0,0,0,0|0,0,0]=1 125 B13R0.147 CCCCCCCCCC[C@@H](CO)O TS19459 [0,1,0,0,0,0|0,0,0]=1 126 B13R0.147 CCCCCCCCCC[C@H](CO)O TS19458 [0,1,0,0,0,0|0,0,0]=1 127 B13R0.147 CCCCCCNCCNC(C)CC TS19087 [0,1,0,0,0,0|3,0,0]=4 128 B13R0.147 COC(=O)CCCCCCCCCBr TS68925 [0,1,0,0,0,0|2,0,1]=4 129 B13R0.147 COC(=O)CCCCCCCCCO TS19445 [0,1,0,0,0,0|1,0,1]=3 130 B13R0.165 CCCCCCC(=C)CCCCCC TS18334 [0,1,0,0,0,0|1,0,1]=3 131 B13R0.165 CCCCCCC(=O)CCCCCC TS54096 [0,1,0,0,0,0|1,0,1]=3 132 B13R0.165 CCCCCCC(=O)OCCCCC TS19067 [0,1,0,0,0,0|2,0,1]=4 133 B13R0.165 CCCCCCC(CCCCCC)O TS19084 [0,1,0,0,0,0|1,0,0]=2 134 B13R0.165 CCCCCCN(C)CCCCCC TS37786 [0,1,0,0,0,0|2,0,0]=3 135 B13R0.165 CCCCCOC(C)OCCCCC TS19454 [0,1,0,0,0,0|3,0,0]=4 136 B13R0.165 CCCCOCC(COCCCC)O TS19818 [0,1,0,0,0,0|3,0,0]=4 137 B13R0.336 C#CCCCCCCCCCCCO TS53734 [0,1,0,0,0,0|0,0,1]=2 138 B13R0.336 C(CCCCCC#N)CCCCC#N TS51550 [0,1,0,0,0,0|1,0,2]=4 139 B13R0.336 C(CCCCCCBr)CCCCCBr TS63499 [0,1,0,0,0,0|1,0,0]=2 140 B13R0.336 C(CCCCCCBr)CCCCCO TS30140 [0,1,0,0,0,0|0,0,0]=1 141 B13R0.336 C(CCCCCCCl)CCCCCCl TS26352 [0,1,0,0,0,0|1,0,0]=2 142 B13R0.336 C(CCCCCCN)CCCCCN TS19088 [0,1,0,0,0,0|1,0,0]=2 143 B13R0.336 C(CCCCCCO)CCCCCO TS59874 [0,1,0,0,0,0|0,0,0]=1 144 B13R0.336 C(CCCCCCS)CCCCCS TS56561 [0,1,0,0,0,0|0,1,0]=2 145 B13R0.336 C(CCNCCCN)CNCCCN TS78890 [0,1,0,0,0,0|3,0,0]=4 146 B13R0.336 C(CCOCCCN)COCCCN TS19832 [0,1,0,0,0,0|3,0,0]=4 147 B13R0.336 C=CCCCCCCCCCCC=C TS17945 [0,1,0,0,0,0|1,0,2]=4 148 B13R0.336 CC#CCCCCCCCCCCO TS53733 [0,1,0,0,0,0|0,0,1]=2 149 B13R0.336 CCCCCCC#CCCCCCC TS17947 [0,1,0,0,0,0|1,0,1]=3 150 B13R0.336 CCCCCCCCC=CCCCO TS54097 [0,1,0,0,0,0|0,0,1]=2 151 B13R0.336 CCCCCCCCCCC#CCO TS53735 [0,1,0,0,0,0|0,0,1]=2 152 B13R0.336 CCCCCCCCCCC=CC=O TS53736 [0,1,0,0,0,0|0,0,3]=4 153 B13R0.336 CCCCCCCCCCC=CCO TS54101 [0,1,0,0,0,0|0,0,1]=2 154 B13R0.336 CCCCCCCCCCCCC#C TS17946 [0,1,0,0,0,0|1,0,0]=2 155 B13R0.336 CCCCCCCCCCCCC#N TS52068 [0,1,0,0,0,0|1,0,0]=2 156 B13R0.336 CCCCCCCCCCCCC=C TS18335 [0,1,0,0,0,0|1,0,0]=2 157 B13R0.336 CCCCCCCCCCCCC=O TS54098 [0,1,0,0,0,0|0,0,1]=2 158 B13R0.336 CCCCCCCCCCCCCBr TS29898 [0,1,0,0,0,0|1,0,0]=2 159 B13R0.336 CCCCCCCCCCCCCC TS54111 [0,1,0,0,0,0|1,0,0]=2 160 B13R0.336 CCCCCCCCCCCCCN TS37785 [0,1,0,0,0,0|1,0,0]=2 161 B13R0.336 CCCCCCCCCCCCCO TS19086 [0,1,0,0,0,0|0,0,0]=1 162 B13R0.336 CCCCCCCCCCCCC[SiH3] TS71929 [0,1,0,0,0,0|1,0,0]=2 163 B13R0.336 CCCCCCCCCCCCNC TS37782 [0,1,0,0,0,0|1,0,0]=2 164 B13R0.336 CCCCCCCCCCCCON TS19266 [0,1,0,0,0,0|0,0,0]=1 165 B13R0.336 CCCCCCCCCCCCSC TS49165 [0,1,0,0,0,0|0,1,0]=2 166 B13R0.336 CCCCCCCCCCCN=C=O TS18494 [0,1,0,0,0,0|0,0,2]=3 167 B13R0.336 CCCCCCCCCCCN=C=S TS21544 [0,1,0,0,0,0|0,1,1]=3 168 B13R0.336 CCCCCCCCCCOCCO TS19460 [0,1,0,0,0,0|0,0,0]=1 169 B13R0.336 CCCCCCCCCNCCC#N TS53741 [0,1,0,0,0,0|1,0,1]=3 170 B13R0.336 CCCCCCSSCCCCCC TS56562 [0,1,0,0,0,0|2,0,0]=3 171 B13R0.336 CCCCOCCOCCOCCO TS20208 [0,1,0,0,0,0|2,0,0]=3 172 B13R0.336 COCCOCCOCCOCCO TS20570 [0,1,0,0,0,0|3,0,0]=4 173 B13R0.338 CCCCCCCC(CCCCC)O TS19083 [0,1,0,0,0,0|1,0,0]=2 174 B13R0.338 CCCCCCOC(=O)CCCCC TS37961 [0,1,0,0,0,0|2,0,1]=4 175 B13R1.28 C1CN(CCN1)CCCCCCN TS48778 [0,0,0,1,0,0|3,0,0]=4 176 B13R1.28 CCCCCCCC1CCCCC1 TS15044 [0,0,0,1,0,0|1,0,0]=2 177 B13R1.28 CCCCCCCN1CCNCC1 TS15347 [0,0,0,1,0,0|3,0,0]=4 178 B13R1.119 CCCCCCCCC1CCCC1 TS83435 [0,0,0,1,0,0|1,0,0]=2 179 B13R1.279 C1CCCCCC(=O)CCCCC1 TS48333 [0,0,0,1,0,0|0,0,2]=3 180 B13R1.279 C1CCCCCC(CCCCC1)Br TS62423 [0,0,0,1,0,0|1,0,0]=2 181 B13R1.279 C1CCCCCC(CCCCC1)N TS15173 [0,0,0,1,0,0|1,0,0]=2 182 B13R1.279 C1CCCCCC(CCCCC1)O TS48634 [0,0,0,1,0,0|0,0,0]=1 183 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [0,0,0,1,0,0|1,0,1]=3 184 B13R1.279 C=C1CCCCCCCCCCC1 TS47981 [0,0,0,1,0,0|1,0,1]=3 185 B13R1.654 CCCCCCCC1CCCC1=O TS48328 [0,0,0,1,0,0|0,0,2]=3 186 B13R1.654 CCCCCCCC1CCOC1=O TS15321 [0,0,0,1,0,0|1,0,2]=4 187 B13R1.654 CCCCCCCN1CCCC1=O TS48467 [0,0,0,1,0,0|1,0,2]=4 188 B13R1.659 CCCCCCCCCCC1CO1 TS48630 [0,0,0,1,0,0|0,0,0]=1 189 B13R1.659 CCCCCCCCCC[C@@H]1CO1 TS48641 [0,0,0,1,0,0|0,0,0]=1 190 B13R1.1150 C1CCCC(CCC1)NCCC#N TS14673 [0,0,0,1,0,0|2,0,1]=4 191 B13R1.2883 C1CCCCCCCCCCCC1 TS15043 [0,0,0,1,0,0|1,0,0]=2 192 B10R0.71 C#CCCCCCCCCO TS10479 [2,0,0,0,0,0|0,0,2]=4 193 B10R0.71 C(CCCCI)CCCCI TS67166 [2,0,0,0,0,0|2,0,0]=4 194 B10R0.71 C(CCCCN)CCCCN TS41990 [2,0,0,0,0,0|2,0,0]=4 195 B10R0.71 C(CCCCO)CCCCBr TS50279 [2,0,0,0,0,0|1,0,0]=3 196 B10R0.71 C(CCCCO)CCCCCl TS14310 [2,0,0,0,0,0|1,0,0]=3 197 B10R0.71 C(CCCCO)CCCCO TS42203 [2,0,0,0,0,0|1,0,0]=3 198 B10R0.71 C(CCCCS)CCCCS TS17566 [2,0,0,0,0,0|1,1,0]=4 199 B10R0.71 C=CCCCCCCCCO TS41685 [2,0,0,0,0,0|0,0,2]=4 200 B10R0.71 CCC=CCCCCCCO TS10743 [2,0,0,0,0,0|0,0,2]=4 201 B10R0.71 CCCCC=CCCCCO TS10746 [2,0,0,0,0,0|0,0,2]=4 202 B10R0.71 CCCCC=CCCCCO TS10765 [2,0,0,0,0,0|0,0,2]=4 203 B10R0.71 CCCCCC#CCCCC TS10232 [2,0,0,0,0,0|0,0,2]=4 204 B10R0.71 CCCCCC=CCCCO TS10760 [2,0,0,0,0,0|0,0,2]=4 205 B10R0.71 CCCCCCC#CCCC TS10234 [2,0,0,0,0,0|0,0,2]=4 206 B10R0.71 CCCCCCC#CCCO TS41425 [2,0,0,0,0,0|0,0,2]=4 207 B10R0.71 CCCCCCCC#CCC TS41206 [2,0,0,0,0,0|0,0,2]=4 208 B10R0.71 CCCCCCCC#CCO TS10482 [2,0,0,0,0,0|0,0,2]=4 209 B10R0.71 CCCCCCCC=CCO TS41687 [2,0,0,0,0,0|0,0,2]=4 210 B10R0.71 CCCCCCCCCC#C TS41204 [2,0,0,0,0,0|0,0,2]=4 211 B10R0.71 CCCCCCCCCC#N TS10352 [2,0,0,0,0,0|1,0,1]=4 212 B10R0.71 CCCCCCCCCC=C TS10512 [2,0,0,0,0,0|0,0,2]=4 213 B10R0.71 CCCCCCCCCC=O TS09040 [2,0,0,0,0,0|0,0,2]=4 214 B10R0.71 CCCCCCCCCCBr TS00033 [2,0,0,0,0,0|1,0,0]=3 215 B10R0.71 CCCCCCCCCCC TS10779 [2,0,0,0,0,0|0,0,0]=2 216 B10R0.71 CCCCCCCCCCCl TS92952 [2,0,0,0,0,0|1,0,0]=3 217 B10R0.71 CCCCCCCCCCF TS42224 [2,0,0,0,0,0|1,0,0]=3 218 B10R0.71 CCCCCCCCCCI TS93518 [2,0,0,0,0,0|1,0,0]=3 219 B10R0.71 CCCCCCCCCCN TS41819 [2,0,0,0,0,0|1,0,0]=3 220 B10R0.71 CCCCCCCCCCO TS41975 [2,0,0,0,0,0|0,0,0]=2 221 B10R0.71 CCCCCCCCCCS TS13579 [2,0,0,0,0,0|0,1,0]=3 222 B10R0.71 CCCCCCCCCOC TS11057 [2,0,0,0,0,0|1,0,0]=3 223 B10R0.71 CCCCCCCCCSC TS13577 [2,0,0,0,0,0|1,0,0]=3 224 B10R0.71 CCCCCCCCNCC TS41820 [2,0,0,0,0,0|1,0,0]=3 225 B10R0.71 CCCCCCCCOCCl TS14311 [2,0,0,0,0,0|2,0,0]=4 226 B10R0.71 CCCCCCCCSCC TS13580 [2,0,0,0,0,0|1,0,0]=3 227 B10R0.71 CCCCCCCOCCO TS11305 [2,0,0,0,0,0|1,0,0]=3 228 B10R0.71 CCCCCNCCCCC TS41815 [2,0,0,0,0,0|1,0,0]=3 229 B10R0.71 CCCCCSCCCCC TS13578 [2,0,0,0,0,0|1,0,0]=3 230 B10R0.71 CCCCOCCOCCO TS11577 [2,0,0,0,0,0|2,0,0]=4 231 B10R0.71 CCCCOCOCCCC TS11308 [2,0,0,0,0,0|2,0,0]=4 232 B12R0.1 CCCCCCCCC(=O)CCC TS48635 [1,1,0,0,0,0|0,0,1]=3 233 B12R0.1 CCCCCCCCC(=O)OCC TS48949 [1,1,0,0,0,0|1,0,1]=4 234 B12R0.1 CCCCCCCCC(CCC)O TS15699 [1,1,0,0,0,0|0,0,0]=2 235 B12R0.1 CCCCCCCOC(=O)CCC TS48955 [1,1,0,0,0,0|1,0,1]=4 236 B12R0.47 CCCCCC(=O)OCCCCC TS48950 [1,1,0,0,0,0|1,0,1]=4 237 B12R0.47 CCCCCCC(=O)CCCCC TS48646 [1,1,0,0,0,0|0,0,1]=3 238 B12R0.47 CCCCCCC(CCCCC)O TS48966 [1,1,0,0,0,0|0,0,0]=2 239 B12R0.206 CCCCCCCC(=O)CCCC TS48633 [1,1,0,0,0,0|0,0,1]=3 240 B12R0.206 CCCCCCCC(=O)OCCC TS48953 [1,1,0,0,0,0|1,0,1]=4 241 B12R0.206 CCCCCCCC(CCCC)O TS48964 [1,1,0,0,0,0|0,0,0]=2 242 B12R0.234 B(CCCCCCCCCC)(O)O TS15553 [1,1,0,0,0,0|1,0,0]=3 243 B12R0.234 C(CCCCC(=O)O)CCCCBr TS28167 [1,1,0,0,0,0|1,0,1]=4 244 B12R0.234 C(CCCCC(=O)O)CCCCO TS50772 [1,1,0,0,0,0|1,0,1]=4 245 B12R0.234 CCCCCCCCCCC(=C)C TS15042 [1,1,0,0,0,0|0,0,1]=3 246 B12R0.234 CCCCCCCCCCC(=O)C TS48629 [1,1,0,0,0,0|0,0,1]=3 247 B12R0.234 CCCCCCCCCCC(=O)Cl TS38726 [1,1,0,0,0,0|0,0,2]=4 248 B12R0.234 CCCCCCCCCCC(=O)O TS15677 [1,1,0,0,0,0|0,0,1]=3 249 B12R0.234 CCCCCCCCCCC(C)Br TS62703 [1,1,0,0,0,0|0,0,0]=2 250 B12R0.234 CCCCCCCCCCC(C)C TS15358 [1,1,0,0,0,0|0,0,0]=2 251 B12R0.234 CCCCCCCCCCC(C)O TS15701 [1,1,0,0,0,0|0,0,0]=2 252 B12R0.234 CCCCCCCCCCN(C)C TS48781 [1,1,0,0,0,0|1,0,0]=3 253 B12R0.234 CCCCCCCCCCS(=O)C TS38695 [1,1,0,0,0,0|1,0,0]=3 254 B12R0.234 CCCCCCCCCC[Si](C)C TS19096 [1,1,0,0,0,0|0,1,0]=3 255 B12R0.234 CCCCCCCCCOC(=O)C TS48960 [1,1,0,0,0,0|1,0,1]=4 256 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [1,1,0,0,0,0|0,0,1]=3 257 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [1,1,0,0,0,0|1,0,1]=4 258 B12R0.248 CCCCCCCCCC(C)C=O TS48631 [1,1,0,0,0,0|0,0,2]=4 259 B12R0.248 CCCCCCCCCC(C)CO TS15702 [1,1,0,0,0,0|0,0,0]=2 260 B12R0.248 CCCCCCCCCC(CC)O TS48965 [1,1,0,0,0,0|0,0,0]=2 261 B12R0.248 CCCCCCCCCC(CCl)Cl TS23981 [1,1,0,0,0,0|1,0,0]=3 262 B12R0.248 CCCCCNCCNC(C)CC TS48973 [1,1,0,0,0,0|2,0,0]=4 263 B12R0.248 COC(=O)CCCCCCCCO TS50771 [1,1,0,0,0,0|1,0,1]=4 264 B14R0.391 CCCCCCCCCC(CC(=O)O)O TS22109 [0,2,0,0,0,0|0,0,1]=3 265 B14R0.393 CCCCCCCCCCC(=O)CCC TS44249 [0,2,0,0,0,0|1,0,0]=3 266 B14R0.393 CCCCCCCCCCC(=O)OCC TS21753 [0,2,0,0,0,0|1,0,1]=4 267 B14R0.393 CCCCCCCCCCC(C)CCC TS21395 [0,2,0,0,0,0|1,0,0]=3 268 B14R0.493 CCCCCCCCCC(=O)CCCC TS21386 [0,2,0,0,0,0|1,0,0]=3 269 B14R0.493 CCCCCCCCCC(=O)OCCC TS21745 [0,2,0,0,0,0|1,0,1]=4 270 B14R0.68 CC(C)CCCCCCCCCC(=O)O TS21755 [0,2,0,0,0,0|0,0,1]=3 271 B14R0.88 CCCCCCCCCCCN(=O)(C)C TS21920 [0,2,0,0,0,0|1,0,1]=4 272 B14R0.231 CCCCCC(=O)CCCCCC(=O)O TS21734 [0,2,0,0,0,0|0,0,2]=4 273 B14R0.305 CCC(C)CCCCCCCCC(=O)O TS21752 [0,2,0,0,0,0|0,0,1]=3 274 B14R0.337 CCCCCCCCCCCC(=O)NN TS21761 [0,2,0,0,0,0|0,0,2]=4 275 B14R0.337 CCCCCCCCCCCC(=O)OC TS21749 [0,2,0,0,0,0|0,0,1]=3 276 B14R0.337 CCCCCCCCCCCC(CC)O TS21767 [0,2,0,0,0,0|0,0,0]=2 277 B14R0.337 CCCCCCCCCCCC(CCl)Cl TS28463 [0,2,0,0,0,0|1,0,0]=3 278 B14R0.337 CCCCCCCCCCOC(=O)CC TS21758 [0,2,0,0,0,0|1,0,1]=4 279 B14R0.337 CCCCCCCCCCOC(=O)CS TS53374 [0,2,0,0,0,0|0,1,1]=4 280 B14R0.337 COC(=O)CCCCCCCCCCBr TS54217 [0,2,0,0,0,0|1,0,1]=4 281 B14R0.340 CCCCCCCCCCC(C(=O)O)Br TS54215 [0,2,0,0,0,0|0,0,1]=3 282 B14R0.340 CCCCCCCCCCC(C(=O)O)N TS21908 [0,2,0,0,0,0|0,0,1]=3 283 B14R0.340 CCCCCCCCCC[C@@H](C(=O)O)N TS21906 [0,2,0,0,0,0|0,0,1]=3 284 B14R0.340 CCCCCCCCCC[C@H](C(=O)O)N TS21907 [0,2,0,0,0,0|0,0,1]=3 285 B14R0.394 C#CCCCCCCCCCCC(=O)O TS43867 [0,2,0,0,0,0|0,0,2]=4 286 B14R0.394 C(CCCCCC(=O)O)CCCCC#N TS21166 [0,2,0,0,0,0|0,0,2]=4 287 B14R0.394 C(CCCCCC(=O)O)CCCCCBr TS54218 [0,2,0,0,0,0|0,0,1]=3 288 B14R0.394 C(CCCCCC(=O)O)CCCCCN TS21909 [0,2,0,0,0,0|0,0,1]=3 289 B14R0.394 C(CCCCCC(=O)O)CCCCCO TS22107 [0,2,0,0,0,0|0,0,1]=3 290 B14R0.394 C=CCCCCCCCCCCC(=O)O TS44228 [0,2,0,0,0,0|0,0,2]=4 291 B14R0.394 CC(C)CCCCCCCOCCCN TS21919 [0,2,0,0,0,0|1,0,0]=3 292 B14R0.394 CCCCCCCCCCC=CC(=O)O TS44233 [0,2,0,0,0,0|0,0,2]=4 293 B14R0.394 CCCCCCCCCCCCC(=O)C TS44248 [0,2,0,0,0,0|0,0,1]=3 294 B14R0.394 CCCCCCCCCCCCC(=O)Cl TS25311 [0,2,0,0,0,0|0,0,1]=3 295 B14R0.394 CCCCCCCCCCCCC(=O)O TS21757 [0,2,0,0,0,0|0,0,0]=2 296 B14R0.394 CCCCCCCCCCCCC(C)Br TS33924 [0,2,0,0,0,0|1,0,0]=3 297 B14R0.394 CCCCCCCCCCCCC(C)C TS21394 [0,2,0,0,0,0|1,0,0]=3 298 B14R0.394 CCCCCCCCCCCCC(C)O TS44581 [0,2,0,0,0,0|0,0,0]=2 299 B14R0.394 CCCCCCCCCCCCN(C)C TS21548 [0,2,0,0,0,0|1,0,0]=3 300 B14R0.394 CCCCCCCCCCCCS(=O)C TS53380 [0,2,0,0,0,0|0,0,1]=3 301 B14R0.394 CCCCCCCCCCCC[N+](=O)[O-] TS21912 [0,2,0,0,0,0|0,0,1]=3 302 B14R0.394 CCCCCCCCCCCOC(=O)C TS21754 [0,2,0,0,0,0|0,0,2]=4 303 B14R0.80 CCCCC(CC)COCCOCCO TS49494 [0,2,0,0,0,0|2,0,0]=4 304 B14R0.80 CCCCCCCCC(CCCC)CO TS21768 [0,2,0,0,0,0|1,0,0]=3 305 B14R0.179 CCCCCCCCC(CCCCC)O TS21766 [0,2,0,0,0,0|1,0,0]=3 306 B14R0.140 CCCCCCCC(=O)OCC(CO)O TS49460 [0,2,0,0,0,0|1,0,1]=4 307 B14R0.197 C(CCCC(CCl)Cl)CCCC(CCl)Cl TS35664 [0,2,0,0,0,0|2,0,0]=4 308 B14R0.2297 CCCCCCCCCCC(CC)CO TS44585 [0,2,0,0,0,0|0,0,0]=2 309 B14R0.2297 CCCCCCCCCCC(OC)OC TS49159 [0,2,0,0,0,0|2,0,0]=4 310 B14R0.145 CCCCCCCC(CCCCCC)O TS21765 [0,2,0,0,0,0|1,0,0]=3 311 B14R0.145 CCCCCCOC(=O)CCCCCN TS67422 [0,2,0,0,0,0|1,0,1]=4 312 B14R0.953 CCCCCCC(CCCCCC)CO TS44584 [0,2,0,0,0,0|1,0,0]=3 313 B14R0.953 CCCCCCN(CCCCCC)N=O TS21760 [0,2,0,0,0,0|2,0,0]=4 314 B14R0.2151 CCCCCCS(=O)(=O)CCCCCC TS56553 [0,2,0,0,0,0|2,0,0]=4 315 B14R0.2151 CCCCCC[Si](CCCCCC)(Cl)Cl TS73896 [0,2,0,0,0,0|1,1,0]=4 316 B14R0.392 C#CCCCCCCCCCCCCO TS21004 [0,2,0,0,0,0|0,0,0]=2 317 B14R0.392 C(CCCCCCO)CCCCCCBr TS54225 [0,2,0,0,0,0|0,0,0]=2 318 B14R0.392 C(CCCCCCO)CCCCCCO TS46751 [0,2,0,0,0,0|0,0,0]=2 319 B14R0.392 C(CCCNCCCCCCN)CCN TS44718 [0,2,0,0,0,0|1,0,0]=3 320 B14R0.392 CC=CCC=CCCCCCCCCO TS20998 [0,2,0,0,0,0|0,0,2]=4 321 B14R0.392 CCC=CCCCCCCCCCC=O TS20999 [0,2,0,0,0,0|0,0,2]=4 322 B14R0.392 CCC=CCCCCCCCCCC=O TS43871 [0,2,0,0,0,0|0,0,2]=4 323 B14R0.392 CCC=CCCCCCCCCCCO TS44246 [0,2,0,0,0,0|0,0,0]=2 324 B14R0.392 CCCCC#CCCCCCCCCO TS21003 [0,2,0,0,0,0|0,0,0]=2 325 B14R0.392 CCCCC=CCCCCCCCC=O TS21005 [0,2,0,0,0,0|0,0,2]=4 326 B14R0.392 CCCCC=CCCCCCCCCO TS44245 [0,2,0,0,0,0|0,0,0]=2 327 B14R0.392 CCCCCCC#CCCCCCCO TS43872 [0,2,0,0,0,0|0,0,0]=2 328 B14R0.392 CCCCCCC=CCCCCCC=O TS21002 [0,2,0,0,0,0|0,0,2]=4 329 B14R0.392 CCCCCCCC=CCCCCCC TS43881 [0,2,0,0,0,0|1,0,0]=3 330 B14R0.392 CCCCCCCCCCC#CCCO TS21001 [0,2,0,0,0,0|0,0,0]=2 331 B14R0.392 CCCCCCCCCCCC=CC=O TS21000 [0,2,0,0,0,0|0,0,2]=4 332 B14R0.392 CCCCCCCCCCCCCC#C TS20648 [0,2,0,0,0,0|1,0,0]=3 333 B14R0.392 CCCCCCCCCCCCCC#N TS20787 [0,2,0,0,0,0|1,0,0]=3 334 B14R0.392 CCCCCCCCCCCCCC=C TS43882 [0,2,0,0,0,0|1,0,0]=3 335 B14R0.392 CCCCCCCCCCCCCCBr TS00042 [0,2,0,0,0,0|1,0,0]=3 336 B14R0.392 CCCCCCCCCCCCCCC TS21396 [0,2,0,0,0,0|1,0,0]=3 337 B14R0.392 CCCCCCCCCCCCCCCl TS25312 [0,2,0,0,0,0|1,0,0]=3 338 B14R0.392 CCCCCCCCCCCCCCF TS49162 [0,2,0,0,0,0|1,0,0]=3 339 B14R0.392 CCCCCCCCCCCCCCI TS61813 [0,2,0,0,0,0|1,0,0]=3 340 B14R0.392 CCCCCCCCCCCCCCN TS21547 [0,2,0,0,0,0|1,0,0]=3 341 B14R0.392 CCCCCCCCCCCCCCO TS44583 [0,2,0,0,0,0|0,0,0]=2 342 B14R0.392 CCCCCCCCCCCCCCS TS24969 [0,2,0,0,0,0|0,1,0]=3 343 B14R0.392 CCCCCCCCCCCCN=C=O TS44052 [0,2,0,0,0,0|0,0,1]=3 344 B14R0.392 CCCCCCCCCCCCOC=C TS44242 [0,2,0,0,0,0|0,0,0]=2 345 B14R0.392 CCCCCCCCCCCCSC#N TS24405 [0,2,0,0,0,0|0,1,0]=3 346 B14R0.392 CCCCCCCCCCOCCCN TS21918 [0,2,0,0,0,0|1,0,0]=3 347 B14R0.392 CCCCCCCCOCCOCCO TS49495 [0,2,0,0,0,0|0,0,0]=2 348 B14R0.392 CCCCCCCNCCCCCCC TS21546 [0,2,0,0,0,0|1,0,0]=3 349 B14R0.392 CCCCCCCOCCCCCCC TS44586 [0,2,0,0,0,0|1,0,0]=3 350 B14R0.392 CCCCCCCSCCCCCCC TS24968 [0,2,0,0,0,0|1,0,0]=3 351 B14R0.392 CCCCCOCCOCCOCCO TS23142 [0,2,0,0,0,0|1,0,0]=3 352 B14R0.392 CCCCOCCOCCOCCCC TS49496 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.8 C1CCC(CC1)NCCCCO TS13054 [1,0,0,1,0,0|1,0,0]=3 354 B12R1.8 C1CCOC(C1)OCCCCCl TS51573 [1,0,0,1,0,0|2,0,0]=4 355 B12R1.8 CCCCCCC1CCCCC1 TS12601 [1,0,0,1,0,0|0,0,0]=2 356 B12R1.8 CCCCCCN1CCNCC1 TS12896 [1,0,0,1,0,0|2,0,0]=4 357 B12R1.37 CCCCCCCC1OCCO1 TS13214 [1,0,0,1,0,0|1,0,0]=3 358 B12R1.121 CCC1CCCCN1CCCN TS12889 [1,0,0,1,0,0|2,0,0]=4 359 B12R1.150 C1CCCCC(=O)C(CCC1)O TS45158 [1,0,0,1,0,0|1,0,1]=4 360 B12R1.215 C1CCCCCC(=O)CCCC1 TS44920 [1,0,0,1,0,0|0,0,2]=4 361 B12R1.372 CCCCCCC1CCCC1=O TS44928 [1,0,0,1,0,0|0,0,2]=4 362 B12R1.550 C1CCCCCC=CCCCC1 TS43143 [1,0,0,1,0,0|0,0,2]=4 363 B12R1.550 C1CCCCCCCCCCC1 TS12604 [1,0,0,1,0,0|0,0,0]=2 364 B14R1.26 CCCCCCCC1CCCC(=O)O1 TS18684 [0,1,0,1,0,0|0,0,1]=3 365 B14R1.216 CCCCCCCCN1CCCC1=O TS60154 [0,1,0,1,0,0|0,0,2]=4 366 B14R1.4408 C1CCCCCC(=O)NCCCCC1 TS18492 [0,1,0,1,0,0|0,0,2]=4 367 B14R1.122 CCCCCCCCC1CCC(=O)O1 TS18693 [0,1,0,1,0,0|0,0,1]=3 368 B14R1.122 CCCCCCCCC1CCC(=O)O1 TS54090 [0,1,0,1,0,0|0,0,1]=3 369 B14R1.221 CCCCCCCCCCC[C@@H]1CO1 TS54099 [0,1,0,1,0,0|0,0,0]=2 370 B14R1.422 C1CCC(CC1)CCCCCC(=O)O TS18679 [0,1,0,1,0,0|0,0,1]=3 371 B14R1.6414 C1CCCCCC(CCCC1)C(=O)O TS54092 [0,1,0,1,0,0|0,0,1]=3 372 B14R1.123 C1CCOC(C1)OCCCCCCBr TS68928 [0,1,0,1,0,0|1,0,0]=3 373 B14R1.123 CCCCCCCCC1CCCCC1 TS18336 [0,1,0,1,0,0|1,0,0]=3 374 B14R1.123 CCCCCCCCN1CCNCC1 TS59673 [0,1,0,1,0,0|2,0,0]=4 375 B14R1.123 CCCCNCCNC1CCCCC1 TS54105 [0,1,0,1,0,0|2,0,0]=4 376 B14R1.247 C1CCCCCC(=O)C(CCCC1)Cl TS22148 [0,1,0,1,0,0|0,0,2]=4 377 B14R1.247 C1CCCCCC(C(CCCC1)O)O TS37959 [0,1,0,1,0,0|0,0,0]=2 378 B14R1.247 C1CCCCC[C@@H]([C@H](CCCC1)O)O TS37955 [0,1,0,1,0,0|0,0,0]=2 379 B14R1.247 C1CCCCC[C@H]([C@@H](CCCC1)O)O TS37963 [0,1,0,1,0,0|0,0,0]=2 380 B14R1.845 CNC1CCCCCCCCCCC1 TS18501 [0,1,0,1,0,0|1,0,0]=3 381 B14R1.845 COC1CCCCCCCCCCC1 TS54100 [0,1,0,1,0,0|0,0,0]=2 382 B14R1.62 CCCCCCCC1CCCC1=NO TS18493 [0,1,0,1,0,0|0,0,1]=3 383 B14R1.2874 C1CCCCCCCCCCCCC1 TS18333 [0,1,0,1,0,0|1,0,0]=3 384 B14R1.158 C1CCC(CC1)NC(=O)CCCCO TS37766 [0,1,0,1,0,0|1,0,1]=4 385 B14R2.6 B(C1CCCCC1)C2CCCCC2 TS93376 [0,0,0,2,0,0|2,0,0]=4 386 B14R2.6 C1CCC(CC1)NC2CCCCC2 TS24592 [0,0,0,2,0,0|2,0,0]=4 387 B14R2.6 C1CCC(CC1)NC2CCCCC2 TS48133 [0,0,0,2,0,0|2,0,0]=4 388 B14R2.6 C1CCC(CC1)PC2CCCCC2 TS21259 [0,0,0,2,0,0|2,0,0]=4 389 B14R2.6 C1CCC(CC1)PC2CCCCC2 TS55851 [0,0,0,2,0,0|2,0,0]=4 390 B14R2.6 C1CCC(CC1)[N-]C2CCCCC2 TS50590 [0,0,0,2,0,0|2,0,0]=4 391 B14R2.24 C1CCC(CC1)C2CCCCC2=O TS14667 [0,0,0,2,0,0|0,0,2]=4 392 B14R2.24 C1CCC(CC1)C2CCCCC2N TS48134 [0,0,0,2,0,0|1,0,0]=3 393 B14R2.24 C1CCC(CC1)C2CCCCC2O TS48332 [0,0,0,2,0,0|0,0,0]=2 394 B14R2.24 C1CCN(CC1)C2CCCCC2O TS48471 [0,0,0,2,0,0|1,0,0]=3 395 B14R2.101 C1CCOC(C1)OCC2CCCO2 TS48913 [0,0,0,2,0,0|2,0,0]=4 396 B14R2.2841 C1CCCCCC2C(O2)CCCC1 TS48327 [0,0,0,2,0,0|0,0,0]=2