0 B14R0.394 C#CCCCCCCCCCCC(=O)O TS43867 [0,0,0,0,0,0|0,0,2]=2 1 B14R0.394 C(CCCCCC(=O)O)CCCCC#N TS21166 [0,0,0,0,0,0|1,0,1]=2 2 B14R0.394 C(CCCCCC(=O)O)CCCCCBr TS54218 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.394 C(CCCCCC(=O)O)CCCCCN TS21909 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.394 C(CCCCCC(=O)O)CCCCCO TS22107 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.394 C=CCCCCCCCCCCC(=O)O TS44228 [0,0,0,0,0,0|0,0,2]=2 6 B14R0.394 CC(=O)OCCCCCCCCCC=C TS44231 [0,0,0,0,0,0|2,0,2]=4 7 B14R0.394 CCCCCCCCC=CCOC(=O)C TS21384 [0,0,0,0,0,0|2,0,2]=4 8 B14R0.394 CCCCCCCCCCC=CC(=O)O TS44233 [0,0,0,0,0,0|0,0,2]=2 9 B14R0.394 CCCCCCCCCCCCC(=O)C TS44248 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.394 CCCCCCCCCCCCC(=O)Cl TS25311 [0,0,0,0,0,0|1,0,0]=1 11 B14R0.394 CCCCCCCCCCCCC(=O)O TS21757 [0,0,0,0,0,0|0,0,0]=0 12 B14R0.394 CCCCCCCCCCCCC(C)Br TS33924 [0,0,0,0,0,0|2,0,1]=3 13 B14R0.394 CCCCCCCCCCCCC(C)C TS21394 [0,0,0,0,0,0|2,0,1]=3 14 B14R0.394 CCCCCCCCCCCCC(C)O TS44581 [0,0,0,0,0,0|1,0,1]=2 15 B14R0.394 CCCCCCCCCCCCN(C)C TS21548 [0,0,0,0,0,0|3,0,0]=3 16 B14R0.394 CCCCCCCCCCCCS(=O)C TS53380 [0,0,0,0,0,0|2,0,0]=2 17 B14R0.394 CCCCCCCCCCCC[N+](=O)[O-] TS21912 [0,0,0,0,0,0|1,0,1]=2 18 B14R0.394 CCCCCCCCCCCOC(=O)C TS21754 [0,0,0,0,0,0|2,0,0]=2 19 B13R0.54 C(CCCCCBr)CCCCC(=O)O TS68927 [1,0,0,0,0,0|1,0,0]=2 20 B13R0.54 C(CCCCCN)CCCCC(=O)O TS19255 [1,0,0,0,0,0|1,0,0]=2 21 B13R0.54 C(CCCCCO)CCCCC(=O)O TS19440 [1,0,0,0,0,0|1,0,0]=2 22 B13R0.54 C(CCCCCS)CCCCC(=O)O TS22494 [1,0,0,0,0,0|1,0,0]=2 23 B13R0.54 C=CCCCCCCCCCC(=O)O TS18691 [1,0,0,0,0,0|0,0,2]=3 24 B13R0.54 CCCCCCC=CCCCC(=O)O TS18694 [1,0,0,0,0,0|0,0,2]=3 25 B13R0.54 CCCCCCCCCC=CC(=O)O TS54086 [1,0,0,0,0,0|0,0,2]=3 26 B13R0.54 CCCCCCCCCCCC(=C)C TS18337 [1,0,0,0,0,0|2,0,0]=3 27 B13R0.54 CCCCCCCCCCCC(=O)C TS18716 [1,0,0,0,0,0|1,0,0]=2 28 B13R0.54 CCCCCCCCCCCC(=O)Cl TS49534 [1,0,0,0,0,0|1,0,0]=2 29 B13R0.54 CCCCCCCCCCCC(=O)N TS37777 [1,0,0,0,0,0|1,0,0]=2 30 B13R0.54 CCCCCCCCCCCC(=O)O TS19259 [1,0,0,0,0,0|0,0,0]=1 31 B13R0.54 CCCCCCCCCCCC(=O)O TS37977 [1,0,0,0,0,0|0,0,0]=1 32 B13R0.54 CCCCCCCCCCCC(=O)O TS68181 [1,0,0,0,0,0|0,0,0]=1 33 B13R0.54 CCCCCCCCCCCC(=O)O TS75367 [1,0,0,0,0,0|0,0,0]=1 34 B13R0.54 CCCCCCCCCCCC(=O)O TS93845 [1,0,0,0,0,0|0,0,0]=1 35 B13R0.54 CCCCCCCCCCCC(=O)O TS94033 [1,0,0,0,0,0|0,0,0]=1 36 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS23524 [1,0,0,0,0,0|0,0,1]=2 37 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS57143 [1,0,0,0,0,0|0,0,1]=2 38 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS69918 [1,0,0,0,0,0|0,0,1]=2 39 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS70296 [1,0,0,0,0,0|0,0,1]=2 40 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS73169 [1,0,0,0,0,0|0,0,1]=2 41 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS75123 [1,0,0,0,0,0|0,0,1]=2 42 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS82656 [1,0,0,0,0,0|0,0,1]=2 43 B13R0.54 CCCCCCCCCCCC(C)Br TS29897 [1,0,0,0,0,0|2,0,1]=4 44 B13R0.54 CCCCCCCCCCCC(C)C TS54110 [1,0,0,0,0,0|2,0,1]=4 45 B13R0.54 CCCCCCCCCCCC(C)N TS37784 [1,0,0,0,0,0|2,0,1]=4 46 B13R0.54 CCCCCCCCCCCC(C)O TS19079 [1,0,0,0,0,0|1,0,1]=3 47 B13R0.54 CCCCCCCCCCOC(=O)Cl TS49889 [1,0,0,0,0,0|2,0,0]=3 48 B13R0.336 C#CCCCCCCCCCCCO TS53734 [1,0,0,0,0,0|0,0,3]=4 49 B13R0.336 C(CCCCCCBr)CCCCCBr TS63499 [1,0,0,0,0,0|2,0,1]=4 50 B13R0.336 C(CCCCCCBr)CCCCCO TS30140 [1,0,0,0,0,0|1,0,1]=3 51 B13R0.336 C(CCCCCCCl)CCCCCCl TS26352 [1,0,0,0,0,0|2,0,1]=4 52 B13R0.336 C(CCCCCCN)CCCCCN TS19088 [1,0,0,0,0,0|2,0,1]=4 53 B13R0.336 C(CCCCCCO)CCCCCO TS59874 [1,0,0,0,0,0|1,0,1]=3 54 B13R0.336 C(CCCCCCS)CCCCCS TS56561 [1,0,0,0,0,0|1,1,1]=4 55 B13R0.336 C=CCCCCCCCCCCC=C TS17945 [1,0,0,0,0,0|1,0,2]=4 56 B13R0.336 CC#CCCCCCCCCCCO TS53733 [1,0,0,0,0,0|0,0,3]=4 57 B13R0.336 CCCCCCCCC=CCCCO TS54097 [1,0,0,0,0,0|0,0,3]=4 58 B13R0.336 CCCCCCCCCCC#CCO TS53735 [1,0,0,0,0,0|0,0,3]=4 59 B13R0.336 CCCCCCCCCCC=CC=O TS53736 [1,0,0,0,0,0|0,0,2]=3 60 B13R0.336 CCCCCCCCCCC=CCO TS54101 [1,0,0,0,0,0|0,0,3]=4 61 B13R0.336 CCCCCCCCCCCCC#C TS17946 [1,0,0,0,0,0|1,0,1]=3 62 B13R0.336 CCCCCCCCCCCCC#N TS52068 [1,0,0,0,0,0|1,0,1]=3 63 B13R0.336 CCCCCCCCCCCCC=C TS18335 [1,0,0,0,0,0|1,0,0]=2 64 B13R0.336 CCCCCCCCCCCCC=O TS54098 [1,0,0,0,0,0|0,0,0]=1 65 B13R0.336 CCCCCCCCCCCCCBr TS29898 [1,0,0,0,0,0|1,0,1]=3 66 B13R0.336 CCCCCCCCCCCCCC TS54111 [1,0,0,0,0,0|1,0,1]=3 67 B13R0.336 CCCCCCCCCCCCCN TS37785 [1,0,0,0,0,0|1,0,1]=3 68 B13R0.336 CCCCCCCCCCCCCO TS19086 [1,0,0,0,0,0|0,0,1]=2 69 B13R0.336 CCCCCCCCCCCCC[SiH3] TS71929 [1,0,0,0,0,0|1,0,1]=3 70 B13R0.336 CCCCCCCCCCCCNC TS37782 [1,0,0,0,0,0|2,0,0]=3 71 B13R0.336 CCCCCCCCCCCCON TS19266 [1,0,0,0,0,0|2,0,0]=3 72 B13R0.336 CCCCCCCCCCCCSC TS49165 [1,0,0,0,0,0|2,0,0]=3 73 B13R0.336 CCCCCCCCCCCN=C=O TS18494 [1,0,0,0,0,0|1,0,1]=3 74 B13R0.336 CCCCCCCCCCCN=C=S TS21544 [1,0,0,0,0,0|1,1,1]=4 75 B13R0.336 CCCCCCCCCCOCCO TS19460 [1,0,0,0,0,0|1,0,1]=3 76 B13R0.336 CCCCCCCCCNCCC#N TS53741 [1,0,0,0,0,0|2,0,1]=4 77 B15R0.69 CCCCCCCCCCC(CC(=O)O)O TS53061 [0,1,0,0,0,0|0,0,0]=1 78 B15R0.81 CCCCCCCCCCCCC(=O)CC TS24257 [0,1,0,0,0,0|1,0,0]=2 79 B15R0.81 CCCCCCCCCCCCC(=O)OC TS52716 [0,1,0,0,0,0|0,0,0]=1 80 B15R0.81 CCCCCCCCCCCCC(C)CC TS24265 [0,1,0,0,0,0|2,0,1]=4 81 B15R0.81 CCCCCCCCCCCCC(CCl)Cl TS30414 [0,1,0,0,0,0|2,0,1]=4 82 B15R0.81 CCCCCCCCCCCCC(CO)O TS24957 [0,1,0,0,0,0|0,0,2]=3 83 B15R0.81 CCCCCCCCCCCC[C@@H](CO)O TS53078 [0,1,0,0,0,0|0,0,2]=3 84 B15R0.81 CCCCCCCCCCCC[C@H](CO)O TS24958 [0,1,0,0,0,0|0,0,2]=3 85 B15R0.81 CCCCCCCCCCCOC(=O)C=C TS52394 [0,1,0,0,0,0|2,0,0]=3 86 B15R0.81 CCCCCCCCCCOCC(CN)O TS25107 [0,1,0,0,0,0|2,0,1]=4 87 B15R0.81 COC(=O)CCCCCCCCCCC#N TS52208 [0,1,0,0,0,0|1,0,1]=3 88 B15R0.84 CCCCCCCCCCCC(C(=O)O)Br TS58378 [0,1,0,0,0,0|0,0,0]=1 89 B15R0.84 CCCCCCCCCCCC(C(=O)O)O TS53062 [0,1,0,0,0,0|0,0,0]=1 90 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O TS24925 [0,1,0,0,0,0|1,0,1]=3 91 B15R0.164 B(O)(O)OCCCCCCCCCCCC TS24841 [0,1,0,0,0,0|1,0,1]=3 92 B15R0.164 CC(=O)OCCCCCCCCCCC=C TS52396 [0,1,0,0,0,0|1,0,2]=4 93 B15R0.164 CCC=CCCCCCCCCOC(=O)C TS52402 [0,1,0,0,0,0|1,0,2]=4 94 B15R0.164 CCCC=CCCCCCCCOC(=O)C TS52391 [0,1,0,0,0,0|1,0,2]=4 95 B15R0.164 CCCC=CCCCCCCCOC(=O)C TS52398 [0,1,0,0,0,0|1,0,2]=4 96 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52383 [0,1,0,0,0,0|0,0,1]=2 97 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52385 [0,1,0,0,0,0|0,0,1]=2 98 B15R0.164 CCCCCCC#CC#CCCCC(=O)O TS49828 [0,1,0,0,0,0|0,0,3]=4 99 B15R0.164 CCCCCCC=CCCCCOC(=O)C TS52397 [0,1,0,0,0,0|1,0,2]=4 100 B15R0.164 CCCCCCCCCC=CCOC(=O)C TS52386 [0,1,0,0,0,0|1,0,2]=4 101 B15R0.164 CCCCCCCCCCCCCC(=C)C TS23898 [0,1,0,0,0,0|2,0,0]=3 102 B15R0.164 CCCCCCCCCCCCCC(=O)Cl TS27545 [0,1,0,0,0,0|1,0,0]=2 103 B15R0.164 CCCCCCCCCCCCCC(=O)N TS24401 [0,1,0,0,0,0|1,0,0]=2 104 B15R0.164 CCCCCCCCCCCCCC(=O)O TS53074 [0,1,0,0,0,0|0,0,0]=1 105 B15R0.164 CCCCCCCCCCCCCC(=O)O TS65246 [0,1,0,0,0,0|0,0,0]=1 106 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS62893 [0,1,0,0,0,0|0,0,1]=2 107 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS72380 [0,1,0,0,0,0|0,0,1]=2 108 B15R0.164 CCCCCCCCCCCCCC(C)C TS24263 [0,1,0,0,0,0|2,0,1]=4 109 B15R0.164 CCCCCCCCCCCCCC(C)O TS24595 [0,1,0,0,0,0|1,0,1]=3 110 B15R0.164 CCCCCCCCCCCCCN(C)C TS24409 [0,1,0,0,0,0|3,0,0]=4 111 B15R0.164 CCCCCCCCCCCCNC(=N)N TS35087 [0,1,0,0,0,0|2,0,0]=3 112 B15R0.164 CCCCCCCCCCCCOC(=O)C TS52722 [0,1,0,0,0,0|1,0,0]=2 113 B15R0.164 CCCCCCCCCCCCOC(=O)Cl TS62665 [0,1,0,0,0,0|1,0,0]=2 114 B15R0.164 CCCCCCCCCCCCSC(=N)N TS34267 [0,1,0,0,0,0|2,0,0]=3 115 B15R0.164 CCCCCCCCCCCSCC(=O)O TS62339 [0,1,0,0,0,0|0,0,0]=1 116 B15R0.164 CCCCCCCCCCOCCC(=O)O TS53063 [0,1,0,0,0,0|0,0,0]=1 117 B15R0.164 CCCOCCCCCCCCCC(=O)O TS53056 [0,1,0,0,0,0|0,0,0]=1 118 B15R0.164 CNCCCCCCCCCCCC(=O)O TS52890 [0,1,0,0,0,0|0,0,0]=1 119 B15R0.164 COCCCCCCCCCCCC(=O)O TS53064 [0,1,0,0,0,0|0,0,0]=1 120 B15R0.222 C(CCCCCC(=O)Cl)CCCCC(=O)Cl TS30391 [0,1,0,0,0,0|2,0,1]=4 121 B15R0.222 C(CCCCCC(=O)O)CCCCC(=O)O TS53033 [0,1,0,0,0,0|1,0,1]=3 122 B15R0.222 CC(C)CCCCCCCCCCC(=O)O TS52718 [0,1,0,0,0,0|0,0,0]=1 123 B15R0.247 CCC(C)CCCCCCCCCC(=O)O TS52721 [0,1,0,0,0,0|0,0,0]=1 124 B15R0.247 COC(=O)CCCCCCCCCC(=O)O TS53039 [0,1,0,0,0,0|1,0,1]=3 125 B15R0.252 CCCCCCCCCCCCN(=O)(C)C TS24764 [0,1,0,0,0,0|2,0,0]=3 126 B15R0.252 CCCCCCCCCCCCP(=O)(O)O TS62872 [0,1,0,0,0,0|1,0,0]=2 127 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl TS60209 [0,1,0,0,0,0|1,0,1]=3 128 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] TS74279 [0,1,0,0,0,0|1,0,1]=3 129 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS29978 [0,1,0,0,0,0|3,0,0]=4 130 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS66161 [0,1,0,0,0,0|3,0,0]=4 131 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS76268 [0,1,0,0,0,0|3,0,0]=4 132 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl TS68674 [0,1,0,0,0,0|2,1,0]=4 133 B15R0.252 CCCCCCCCCCCC[Si](C)(Cl)Cl TS34557 [0,1,0,0,0,0|2,1,0]=4 134 B15R0.252 CCCCCCCCCCCC[Si](Cl)(Cl)Cl TS59225 [0,1,0,0,0,0|2,1,0]=4 135 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] TS74478 [0,1,0,0,0,0|2,0,1]=4 136 B15R1.34 CCCCCCCCCC1CCC(=O)O1 TS44226 [0,0,0,1,0,0|0,0,0]=1 137 B15R1.1188 CCCCCC1COCCC1OC(=O)C TS21733 [0,0,0,1,0,0|3,0,0]=4 138 B15R1.9199 CCCCCCCCCCCCC1CO1 TS44244 [0,0,0,1,0,0|1,0,1]=3 139 B15R1.9199 CCCCCCCCCCCC[C@@H]1CO1 TS44247 [0,0,0,1,0,0|1,0,1]=3 140 B12R0.5 C#CCCCCCCCCCCO TS34609 [2,0,0,0,0,0|0,0,2]=4 141 B12R0.5 C(CCCCCBr)CCCCCBr TS76658 [2,0,0,0,0,0|2,0,0]=4 142 B12R0.5 C(CCCCCN)CCCCCN TS48969 [2,0,0,0,0,0|2,0,0]=4 143 B12R0.5 C(CCCCCO)CCCCCBr TS34608 [2,0,0,0,0,0|1,0,0]=3 144 B12R0.5 C(CCCCCO)CCCCCO TS16060 [2,0,0,0,0,0|1,0,0]=3 145 B12R0.5 C(CCCCCO)CCCCCS TS38694 [2,0,0,0,0,0|1,0,0]=3 146 B12R0.5 CC#CCCCCCCCCCO TS48330 [2,0,0,0,0,0|0,0,2]=4 147 B12R0.5 CCC=CCCCCCCCCO TS48645 [2,0,0,0,0,0|0,0,2]=4 148 B12R0.5 CCCC=CCCCCCCCO TS48644 [2,0,0,0,0,0|0,0,2]=4 149 B12R0.5 CCCCC=CCCCCCCO TS48647 [2,0,0,0,0,0|0,0,2]=4 150 B12R0.5 CCCCCCCCCC=CC=O TS48324 [2,0,0,0,0,0|0,0,2]=4 151 B12R0.5 CCCCCCCCCC=CCO TS48639 [2,0,0,0,0,0|0,0,2]=4 152 B12R0.5 CCCCCCCCCCCC#C TS47980 [2,0,0,0,0,0|0,0,2]=4 153 B12R0.5 CCCCCCCCCCCC#N TS48132 [2,0,0,0,0,0|1,0,1]=4 154 B12R0.5 CCCCCCCCCCCC=C TS15047 [2,0,0,0,0,0|0,0,1]=3 155 B12R0.5 CCCCCCCCCCCC=O TS48637 [2,0,0,0,0,0|0,0,0]=2 156 B12R0.5 CCCCCCCCCCCCBr TS00034 [2,0,0,0,0,0|1,0,0]=3 157 B12R0.5 CCCCCCCCCCCCC TS15357 [2,0,0,0,0,0|0,0,1]=3 158 B12R0.5 CCCCCCCCCCCCC TS68874 [2,0,0,0,0,0|0,0,1]=3 159 B12R0.5 CCCCCCCCCCCCCl TS38729 [2,0,0,0,0,0|1,0,0]=3 160 B12R0.5 CCCCCCCCCCCCF TS50804 [2,0,0,0,0,0|1,0,0]=3 161 B12R0.5 CCCCCCCCCCCCN TS48782 [2,0,0,0,0,0|1,0,0]=3 162 B12R0.5 CCCCCCCCCCCCN TS50032 [2,0,0,0,0,0|1,0,0]=3 163 B12R0.5 CCCCCCCCCCCCN TS62201 [2,0,0,0,0,0|1,0,0]=3 164 B12R0.5 CCCCCCCCCCCCO TS15700 [2,0,0,0,0,0|0,0,0]=2 165 B12R0.5 CCCCCCCCCCCCS TS19472 [2,0,0,0,0,0|0,1,0]=3 166 B12R0.5 CCCCCCCCCCOC=C TS48642 [2,0,0,0,0,0|1,0,1]=4 167 B12R0.5 CCCCCCNCCCCCC TS48779 [2,0,0,0,0,0|1,0,1]=4 168 B12R0.5 CCCCCCOCCCCCC TS48967 [2,0,0,0,0,0|1,0,1]=4 169 B12R0.5 CCCCCCOCCOCCO TS17148 [2,0,0,0,0,0|2,0,0]=4 170 B12R0.5 CCCCCCSCCCCCC TS19470 [2,0,0,0,0,0|1,0,1]=4 171 B12R0.5 CCCCCC[Hg]CCCCCC TS66855 [2,0,0,0,0,0|1,0,1]=4 172 B12R0.234 B(CCCCCCCCCC)(O)O TS15553 [2,0,0,0,0,0|1,0,1]=4 173 B12R0.234 C#CCCCCCCCCC(=O)O TS15017 [2,0,0,0,0,0|0,0,2]=4 174 B12R0.234 C(CCCCC(=O)O)CCCCBr TS28167 [2,0,0,0,0,0|1,0,0]=3 175 B12R0.234 C(CCCCC(=O)O)CCCCO TS50772 [2,0,0,0,0,0|1,0,0]=3 176 B12R0.234 C=CCCCCCCCCC(=O)O TS34607 [2,0,0,0,0,0|0,0,2]=4 177 B12R0.234 CC#CCCCCCCCC(=O)O TS48314 [2,0,0,0,0,0|0,0,2]=4 178 B12R0.234 CCCCCCCCC=CC(=O)O TS48605 [2,0,0,0,0,0|0,0,2]=4 179 B12R0.234 CCCCCCCCCCC(=C)C TS15042 [2,0,0,0,0,0|2,0,0]=4 180 B12R0.234 CCCCCCCCCCC(=O)C TS48629 [2,0,0,0,0,0|1,0,0]=3 181 B12R0.234 CCCCCCCCCCC(=O)Cl TS38726 [2,0,0,0,0,0|1,0,0]=3 182 B12R0.234 CCCCCCCCCCC(=O)O TS15677 [2,0,0,0,0,0|0,0,0]=2 183 B12R0.234 CCCCCCCCCCC(C)O TS15701 [2,0,0,0,0,0|1,0,1]=4 184 B12R0.234 CCCCCCCCCCS(=O)C TS38695 [2,0,0,0,0,0|2,0,0]=4 185 B12R0.234 CCCCCCCCCOC(=O)C TS48960 [2,0,0,0,0,0|2,0,0]=4 186 B12R0.234 CCCCCCCCCOC(=O)Cl TS20294 [2,0,0,0,0,0|2,0,0]=4 187 B14R0.68 C(CCCCC(=O)O)CCCCC(=O)O TS22080 [1,1,0,0,0,0|1,0,1]=4 188 B14R0.68 CC(C)CCCCCCCCCC(=O)O TS21755 [1,1,0,0,0,0|0,0,0]=2 189 B14R0.88 CCCCCCCCCCCN(=O)(C)C TS21920 [1,1,0,0,0,0|2,0,0]=4 190 B14R0.231 CCCCCC(=O)CCCCCC(=O)O TS21734 [1,1,0,0,0,0|0,0,1]=3 191 B14R0.305 CCC(C)CCCCCCCCC(=O)O TS21752 [1,1,0,0,0,0|0,0,0]=2 192 B14R0.305 COC(=O)CCCCCCCCC(=O)O TS22085 [1,1,0,0,0,0|1,0,1]=4 193 B14R0.337 CCCCCCCCCCCC(=O)NN TS21761 [1,1,0,0,0,0|1,0,0]=3 194 B14R0.337 CCCCCCCCCCCC(=O)OC TS21749 [1,1,0,0,0,0|0,0,0]=2 195 B14R0.337 CCCCCCCCCCCC(CC)O TS21767 [1,1,0,0,0,0|1,0,1]=4 196 B14R0.337 CCCCCCCCCCNC(=O)C=C TS44053 [1,1,0,0,0,0|2,0,0]=4 197 B14R0.337 CCCCCCCCCCOC(=O)C=C TS44235 [1,1,0,0,0,0|2,0,0]=4 198 B14R0.337 CCCCCCCCCCOC(=O)CC TS21758 [1,1,0,0,0,0|2,0,0]=4 199 B14R0.337 CCCCCCCCCCOC(=O)CS TS53374 [1,1,0,0,0,0|1,1,0]=4 200 B14R0.337 COC(=O)CCCCCCCCCCBr TS54217 [1,1,0,0,0,0|1,0,0]=3 201 B14R0.340 CCCCCCCCCCC(C(=O)O)Br TS54215 [1,1,0,0,0,0|0,0,0]=2 202 B14R0.340 CCCCCCCCCCC(C(=O)O)N TS21908 [1,1,0,0,0,0|0,0,0]=2 203 B14R0.340 CCCCCCCCCC[C@@H](C(=O)O)N TS21906 [1,1,0,0,0,0|0,0,0]=2 204 B14R0.340 CCCCCCCCCC[C@H](C(=O)O)N TS21907 [1,1,0,0,0,0|0,0,0]=2 205 B14R0.391 CCCCCCCCCC(CC(=O)O)O TS22109 [1,1,0,0,0,0|0,0,0]=2 206 B14R0.145 CCCCCCCC(CCCCCC)O TS21765 [1,1,0,0,0,0|1,0,1]=4 207 B14R0.179 CCCCCCCCC(CCCCC)O TS21766 [1,1,0,0,0,0|1,0,1]=4 208 B14R0.392 C#CCCCCCCCCCCCCO TS21004 [1,1,0,0,0,0|0,0,2]=4 209 B14R0.392 C(CCCCCCO)CCCCCCBr TS54225 [1,1,0,0,0,0|0,0,1]=3 210 B14R0.392 C(CCCCCCO)CCCCCCO TS46751 [1,1,0,0,0,0|0,0,1]=3 211 B14R0.392 CCC=CCCCCCCCCCC=O TS20999 [1,1,0,0,0,0|0,0,1]=3 212 B14R0.392 CCC=CCCCCCCCCCC=O TS43871 [1,1,0,0,0,0|0,0,1]=3 213 B14R0.392 CCC=CCCCCCCCCCCO TS44246 [1,1,0,0,0,0|0,0,2]=4 214 B14R0.392 CCCCC#CCCCCCCCCO TS21003 [1,1,0,0,0,0|0,0,2]=4 215 B14R0.392 CCCCC=CCCCCCCCC=O TS21005 [1,1,0,0,0,0|0,0,1]=3 216 B14R0.392 CCCCC=CCCCCCCCCO TS44245 [1,1,0,0,0,0|0,0,2]=4 217 B14R0.392 CCCCCCC#CCCCCCCO TS43872 [1,1,0,0,0,0|0,0,2]=4 218 B14R0.392 CCCCCCC=CCCCCCC=O TS21002 [1,1,0,0,0,0|0,0,1]=3 219 B14R0.392 CCCCCCCCCCC#CCCO TS21001 [1,1,0,0,0,0|0,0,2]=4 220 B14R0.392 CCCCCCCCCCCC=CC=O TS21000 [1,1,0,0,0,0|0,0,1]=3 221 B14R0.392 CCCCCCCCCCCCCC#C TS20648 [1,1,0,0,0,0|1,0,1]=4 222 B14R0.392 CCCCCCCCCCCCCC#N TS20787 [1,1,0,0,0,0|1,0,1]=4 223 B14R0.392 CCCCCCCCCCCCCC=C TS43882 [1,1,0,0,0,0|1,0,0]=3 224 B14R0.392 CCCCCCCCCCCCCCBr TS00042 [1,1,0,0,0,0|1,0,1]=4 225 B14R0.392 CCCCCCCCCCCCCCC TS21396 [1,1,0,0,0,0|1,0,1]=4 226 B14R0.392 CCCCCCCCCCCCCCCl TS25312 [1,1,0,0,0,0|1,0,1]=4 227 B14R0.392 CCCCCCCCCCCCCCF TS49162 [1,1,0,0,0,0|1,0,1]=4 228 B14R0.392 CCCCCCCCCCCCCCI TS61813 [1,1,0,0,0,0|1,0,1]=4 229 B14R0.392 CCCCCCCCCCCCCCN TS21547 [1,1,0,0,0,0|1,0,1]=4 230 B14R0.392 CCCCCCCCCCCCCCO TS44583 [1,1,0,0,0,0|0,0,1]=3 231 B14R0.392 CCCCCCCCCCCCCCS TS24969 [1,1,0,0,0,0|0,1,1]=4 232 B14R0.392 CCCCCCCCCCCCN=C=O TS44052 [1,1,0,0,0,0|0,0,1]=3 233 B14R0.392 CCCCCCCCCCCCOC=C TS44242 [1,1,0,0,0,0|1,0,0]=3 234 B14R0.392 CCCCCCCCCCCCSC#N TS24405 [1,1,0,0,0,0|1,0,1]=4 235 B14R0.392 CCCCCCCCCCOCCCN TS21918 [1,1,0,0,0,0|1,0,1]=4 236 B14R0.392 CCCCCCCCOCCOCCO TS49495 [1,1,0,0,0,0|1,0,1]=4 237 B14R0.392 CCCCCCCNCCCCCCC TS21546 [1,1,0,0,0,0|1,0,1]=4 238 B14R0.392 CCCCCCCOCCCCCCC TS44586 [1,1,0,0,0,0|1,0,1]=4 239 B14R0.392 CCCCCCCSCCCCCCC TS24968 [1,1,0,0,0,0|1,0,1]=4 240 B14R0.393 CCCCCCCCCCC(C)CCC TS21395 [1,1,0,0,0,0|1,0,1]=4 241 B16R0.60 C(CCCCC(=O)O)CCCC(CC(=O)O)Cl TS68890 [0,2,0,0,0,0|1,0,1]=4 242 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O TS27215 [0,2,0,0,0,0|0,0,0]=2 243 B16R0.61 CCCCCCCCCCCCC(=O)OCC TS57755 [0,2,0,0,0,0|0,0,0]=2 244 B16R0.61 CCCCCCCCCCCCC(CCC)O TS57770 [0,2,0,0,0,0|1,0,1]=4 245 B16R0.164 COC(=O)CCCCCCCCCC(=O)OC TS62048 [0,2,0,0,0,0|1,0,1]=4 246 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O TS57762 [0,2,0,0,0,0|0,0,0]=2 247 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O TS62042 [0,2,0,0,0,0|0,0,1]=3 248 B16R0.221 CCCCC=CCCCCCCCC(=O)OC TS57434 [0,2,0,0,0,0|0,0,1]=3 249 B16R0.221 CCCCC=CCCCCCCCC(=O)OC TS57449 [0,2,0,0,0,0|0,0,1]=3 250 B16R0.221 CCCCCCCCCCCCCC(=O)CC TS26582 [0,2,0,0,0,0|1,0,0]=3 251 B16R0.221 CCCCCCCCCCCCCC(=O)OC TS57757 [0,2,0,0,0,0|0,0,0]=2 252 B16R0.221 CCCCCCCCCCCCOC(=O)C=C TS57445 [0,2,0,0,0,0|1,0,0]=3 253 B16R0.221 CCCCCCCCCCCCOC(=O)CN TS34159 [0,2,0,0,0,0|1,0,0]=3 254 B16R0.221 CCCCCCCCCCCCOC(=O)CS TS68421 [0,2,0,0,0,0|0,1,0]=3 255 B16R0.224 CCCCCCCCCCCCC(C(=O)O)Br TS60651 [0,2,0,0,0,0|0,0,0]=2 256 B16R0.224 CCCCCCCCCCCCC(C(=O)O)O TS27214 [0,2,0,0,0,0|0,0,0]=2 257 B16R0.224 CCCCCCCCCCCOC(=O)C(=C)C TS57439 [0,2,0,0,0,0|2,0,0]=4 258 B16R0.3292 CCCCCCCCCCCCC(C=O)(Cl)Cl TS54416 [0,2,0,0,0,0|1,0,1]=4 259 B16R0.274 B(CCCCCCCCCCCCCC)(O)O TS57662 [0,2,0,0,0,0|1,0,1]=4 260 B16R0.274 CCCCC=CCCCCCCCCC(=O)O TS57448 [0,2,0,0,0,0|0,0,0]=2 261 B16R0.274 CCCCCCCCC=CCCCOC(=O)C TS57441 [0,2,0,0,0,0|1,0,1]=4 262 B16R0.274 CCCCCCCCC=CCCCOC(=O)C TS57447 [0,2,0,0,0,0|1,0,1]=4 263 B16R0.274 CCCCCCCCCCC#CC#CC(=O)O TS56525 [0,2,0,0,0,0|0,0,2]=4 264 B16R0.274 CCCCCCCCCCC=CCOC(=O)C TS57443 [0,2,0,0,0,0|1,0,1]=4 265 B16R0.274 CCCCCCCCCCCCCCC(=O)C TS26585 [0,2,0,0,0,0|1,0,0]=3 266 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl TS68439 [0,2,0,0,0,0|1,0,0]=3 267 B16R0.274 CCCCCCCCCCCCCCC(=O)O TS57761 [0,2,0,0,0,0|0,0,0]=2 268 B16R0.274 CCCCCCCCCCCCCCC(C)O TS57772 [0,2,0,0,0,0|1,0,1]=4 269 B16R0.274 CCCCCCCCCCCCCOC(=O)C TS57758 [0,2,0,0,0,0|1,0,0]=3 270 B16R0.1188 CCCCCCCCCCCCCN(=O)(C)C TS27056 [0,2,0,0,0,0|2,0,0]=4 271 B16R0.1188 CCCCCCCCCCCCOP(=O)([O-])[O-] TS29500 [0,2,0,0,0,0|1,0,1]=4 272 B16R0.1188 CCCCCCCCCCCCOP(=O)([O-])[O-] TS73527 [0,2,0,0,0,0|1,0,1]=4 273 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS66875 [0,2,0,0,0,0|1,0,0]=3 274 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS67421 [0,2,0,0,0,0|1,0,0]=3 275 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O TS69745 [0,2,0,0,0,0|1,0,0]=3 276 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] TS33394 [0,2,0,0,0,0|1,0,1]=4 277 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] TS35151 [0,2,0,0,0,0|1,0,1]=4 278 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] TS83801 [0,2,0,0,0,0|1,0,1]=4 279 B16R0.3288 C(CCCCCC(=O)O)CCCCCC(=O)O TS00287 [0,2,0,0,0,0|0,0,1]=3 280 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O TS57759 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.26 CCCCCCCC1CCCC(=O)O1 TS18684 [1,0,0,1,0,0|0,0,0]=2 282 B14R1.122 CCCCCCCCC1CCC(=O)O1 TS18693 [1,0,0,1,0,0|0,0,0]=2 283 B14R1.122 CCCCCCCCC1CCC(=O)O1 TS54090 [1,0,0,1,0,0|0,0,0]=2 284 B14R1.221 CCCCCCCCCCC[C@@H]1CO1 TS54099 [1,0,0,1,0,0|1,0,1]=4 285 B14R1.422 C1CCC(CC1)CCCCCC(=O)O TS18679 [1,0,0,1,0,0|0,0,0]=2 286 B14R1.4408 C1CCCCCC(=O)NCCCCC1 TS18492 [1,0,0,1,0,0|1,0,0]=3 287 B14R1.6414 C1CCCCCC(CCCC1)C(=O)O TS54092 [1,0,0,1,0,0|0,0,0]=2 288 B14R1.62 CCCCCCCC1CCCC1=NO TS18493 [1,0,0,1,0,0|1,0,1]=4 289 B14R1.123 CCCCCCCCC1CCCCC1 TS18336 [1,0,0,1,0,0|1,0,1]=4 290 B14R1.216 CCCCCC=CCC1CCCC1=O TS51910 [1,0,0,1,0,0|0,0,2]=4 291 B14R1.216 CCCCCCCCN1CCCC1=O TS60154 [1,0,0,1,0,0|1,0,0]=3 292 B14R1.247 C1CCCCCC(=O)C(CCCC1)Cl TS22148 [1,0,0,1,0,0|1,0,0]=3 293 B14R1.247 C1CCCCCC(C(CCCC1)O)O TS37959 [1,0,0,1,0,0|1,0,1]=4 294 B14R1.247 C1CCCCC[C@@H]([C@H](CCCC1)O)O TS37955 [1,0,0,1,0,0|1,0,1]=4 295 B14R1.247 C1CCCCC[C@H]([C@@H](CCCC1)O)O TS37963 [1,0,0,1,0,0|1,0,1]=4 296 B14R1.845 CNC1CCCCCCCCCCC1 TS18501 [1,0,0,1,0,0|2,0,0]=4 297 B14R1.845 COC1CCCCCCCCCCC1 TS54100 [1,0,0,1,0,0|2,0,0]=4 298 B14R1.2874 C1CCCCCCCCCCCCC1 TS18333 [1,0,0,1,0,0|1,0,1]=4 299 B16R1.18167 CC(=O)OC1CCCCCCCCCCC1 TS52384 [0,1,0,1,0,0|1,0,0]=3 300 B16R1.8816 C1CCCCCC(=O)CCC=CCCCC1 TS50207 [0,1,0,1,0,0|1,0,1]=4 301 B16R1.8816 C1CCCCCCCC(=O)CCCCCC1 TS50543 [0,1,0,1,0,0|1,0,0]=3 302 B16R1.8816 C1CCCCCCCC(CCCCCC1)O TS24252 [0,1,0,1,0,0|1,0,1]=4 303 B16R1.3895 CCCCCCCN1CC(C[C@H]1C(=O)O)O TS52870 [0,1,0,1,0,0|1,0,0]=3 304 B16R1.18213 C1CCC(CC1)CCCC(=O)NCC(=O)O TS24387 [0,1,0,1,0,0|1,0,1]=4 305 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 TS52388 [0,1,0,1,0,0|0,0,0]=2 306 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 TS24251 [0,1,0,1,0,0|1,0,1]=4 307 B16R2.464 C1CCC(CC1)CN2CCCC2C(=O)O TS27675 [0,0,0,2,0,0|1,0,0]=3