0 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,0,0,0,0,0|1,0,3]=4 5 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,0,0,0,0,0|1,0,3]=4 6 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,0,0,0,0,0|1,0,3]=4 7 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,0,0,0,0,0|1,0,3]=4 8 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,0,0,0,0,0|3,0,1]=4 13 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,0,0,0,0,0|3,0,1]=4 16 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,0,0,0,0,0|3,0,1]=4 17 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,0,0,0,0,0|3,0,1]=4 19 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,0,0,0,0,0|3,0,1]=4 21 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,0,0,0,0,0|3,0,1]=4 26 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,0,0,0,0,0|3,0,1]=4 28 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,0,0,0,0,0|3,0,1]=4 29 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,0,0,0,0,0|3,0,1]=4 30 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,0,0,0,0,0|3,0,1]=4 31 B12R0.5 C#CCCCCCOCCOC=C 34a_100000033082_100012094781 [0,0,0,0,0,0|2,0,2]=4 32 B12R0.5 C#CCCCCCOCCOC=C 34a_100000766912_100000039644 [0,0,0,0,0,0|2,0,2]=4 33 B12R0.5 C#CCCCCCOCCOC=C 7a_100000766912_100000039644 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.5 C#CCCCCCSCCOC=C 62a_100000039644_100012094781 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.5 C#CCCCCCSCCOC=C 62a_100012094781_100000039644 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,0,0,0,0,0|3,0,1]=4 42 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,0,0,0,0,0|3,0,1]=4 43 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,0,0,0,0,0|3,0,1]=4 44 B12R0.5 C#CCCCCNCCCOC=C 2230a_100000210767_100010269958 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.5 C#CCCCCNCCCOC=C 34a_100000210767_100010269958 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,0,0,0,0,0|3,0,1]=4 49 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,0,0,0,0,0|3,0,1]=4 54 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,0,0,0,0,0|2,0,2]=4 58 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,0,0,0,0,0|3,0,1]=4 60 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,0,0,0,0,0|3,0,1]=4 61 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.5 C#CCCCOCCCCOC=C 34a_100000031558_100000695029 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.5 C#CCCCOCCCCOC=C 7a_100000031558_100011215417 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,0,0,0,0,0|2,0,2]=4 65 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,0,0,0,0,0|2,0,2]=4 66 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,0,0,0,0,0|3,0,1]=4 67 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,0,0,0,0,0|3,0,1]=4 68 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,0,0,0,0,0|3,0,1]=4 70 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,0,0,0,0,0|3,0,1]=4 71 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,0,0,0,0,0|3,0,1]=4 73 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,0,0,0,0,0|3,0,1]=4 74 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,0,0,0,0,0|3,0,1]=4 75 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,0,0,0,0,0|3,0,1]=4 76 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,0,0,0,0,0|3,0,1]=4 77 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,0,0,0,0,0|3,0,1]=4 80 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,0,0,0,0,0|3,0,1]=4 82 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,0,0,0,0,0|3,0,1]=4 83 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,0,0,0,0,0|3,0,0]=3 84 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,0,0,0,0,0|4,0,0]=4 85 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,0,0,0,0,0|4,0,0]=4 86 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,0,0,0,0,0|4,0,0]=4 87 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,0,0,0,0,0|3,0,0]=3 88 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,0,0,0,0,0|4,0,0]=4 89 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,0,0,0,0,0|4,0,0]=4 90 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,0,0,0,0,0|4,0,0]=4 91 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,0,0,0,0,0|4,0,0]=4 92 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,0,0,0,0,0|3,0,0]=3 93 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,0,0,0,0,0|3,0,0]=3 94 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,0,0,0,0,0|3,0,0]=3 95 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,0,0,0,0,0|4,0,0]=4 96 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,0,0,0,0,0|4,0,0]=4 97 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,0,0,0,0,0|4,0,0]=4 98 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,0,0,0,0,0|4,0,0]=4 99 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,0,0,0,0,0|4,0,0]=4 100 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,0,0,0,0,0|4,0,0]=4 101 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,0,0,0,0,0|4,0,0]=4 102 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,0,0,0,0,0|4,0,0]=4 103 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,0,0,0,0,0|4,0,0]=4 104 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,0,0,0,0,0|4,0,0]=4 105 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,0,0,0,0,0|3,0,0]=3 106 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,0,0,0,0,0|3,0,0]=3 107 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,0,0,0,0,0|4,0,0]=4 108 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,0,0,0,0,0|4,0,0]=4 109 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,0,0,0,0,0|4,0,0]=4 110 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,0,0,0,0,0|4,0,0]=4 111 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,0,0,0,0,0|3,0,0]=3 113 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,0,0,0,0,0|3,0,0]=3 115 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,0,0,0,0,0|3,0,0]=3 116 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,0,0,0,0,0|3,0,0]=3 120 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,0,0,0,0,0|3,0,0]=3 123 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,0,0,0,0,0|3,0,0]=3 125 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,0,0,0,0,0|3,0,0]=3 127 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,0,0,0,0,0|3,0,0]=3 128 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,0,0,0,0,0|3,0,0]=3 129 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,0,0,0,0,0|3,0,0]=3 130 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,0,0,0,0,0|3,0,0]=3 131 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,0,0,0,0,0|1,0,3]=4 132 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,0,0,0,0,0|1,0,3]=4 133 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,0,0,0,0,0|3,0,0]=3 134 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,0,0,0,0,0|3,0,0]=3 135 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,0,0,0,0,0|4,0,0]=4 136 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,0,0,0,0,0|4,0,0]=4 137 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,0,0,0,0,0|4,0,0]=4 138 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,0,0,0,0,0|4,0,0]=4 139 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,0,0,0,0,0|4,0,0]=4 140 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,0,0,0,0,0|2,0,2]=4 141 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,0,0,0,0,0|2,0,2]=4 142 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,0,0,0,0,0|4,0,0]=4 143 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,0,0,0,0,0|3,0,0]=3 144 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,0,0,0,0,0|3,0,0]=3 145 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,0,0,0,0,0|3,0,0]=3 146 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,0,0,0,0,0|4,0,0]=4 147 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,0,0,0,0,0|4,0,0]=4 148 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,0,0,0,0,0|4,0,0]=4 149 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,0,0,0,0,0|4,0,0]=4 150 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,0,0,0,0,0|4,0,0]=4 151 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,0,0,0,0,0|4,0,0]=4 152 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,0,0,0,0,0|2,0,2]=4 153 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,0,0,0,0,0|2,0,2]=4 154 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,0,0,0,0,0|3,0,0]=3 155 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,0,0,0,0,0|3,0,0]=3 156 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,0,0,0,0,0|4,0,0]=4 157 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,0,0,0,0,0|4,0,0]=4 158 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,0,0,0,0,0|4,0,0]=4 159 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,0,0,0,0,0|4,0,0]=4 160 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,0,0,0,0,0|4,0,0]=4 161 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,0,0,0,0,0|4,0,0]=4 162 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,0,0,0,0,0|4,0,0]=4 163 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,0,0,0,0,0|4,0,0]=4 164 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,0,0,0,0,0|3,0,0]=3 165 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,0,0,0,0,0|3,0,0]=3 166 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,0,0,0,0,0|4,0,0]=4 167 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,0,0,0,0,0|4,0,0]=4 168 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,0,0,0,0,0|4,0,0]=4 169 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,0,0,0,0,0|4,0,0]=4 170 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,0,0,0,0,0|4,0,0]=4 171 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,0,0,0,0,0|3,0,0]=3 172 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,0,0,0,0,0|3,0,0]=3 173 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,0,0,0,0,0|3,0,0]=3 174 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,0,0,0,0,0|3,0,0]=3 175 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,0,0,0,0,0|4,0,0]=4 176 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,0,0,0,0,0|4,0,0]=4 177 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,0,0,0,0,0|4,0,0]=4 178 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,0,0,0,0,0|4,0,0]=4 179 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,0,0,0,0,0|4,0,0]=4 180 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,0,0,0,0,0|4,0,0]=4 181 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,0,0,0,0,0|4,0,0]=4 182 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,0,0,0,0,0|4,0,0]=4 183 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,0,0,0,0,0|4,0,0]=4 184 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,0,0,0,0,0|4,0,0]=4 185 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,0,0,0,0,0|4,0,0]=4 186 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,0,0,0,0,0|4,0,0]=4 187 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,0,0,0,0,0|4,0,0]=4 188 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,0,0,0,0,0|4,0,0]=4 189 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,0,0,0,0,0|3,0,0]=3 190 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,0,0,0,0,0|3,0,0]=3 191 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,0,0,0,0,0|4,0,0]=4 192 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,0,0,0,0,0|4,0,0]=4 193 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,0,0,0,0,0|4,0,0]=4 194 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,0,0,0,0,0|4,0,0]=4 195 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,0,0,0,0,0|4,0,0]=4 196 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,0,0,0,0,0|4,0,0]=4 197 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,0,0,0,0,0|4,0,0]=4 198 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,0,0,0,0,0|4,0,0]=4 199 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,0,0,0,0,0|4,0,0]=4 200 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,0,0,0,0,0|4,0,0]=4 201 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,0,0,0,0,0|3,0,0]=3 202 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,0,0,0,0,0|4,0,0]=4 203 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,0,0,0,0,0|4,0,0]=4 204 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,0,0,0,0,0|4,0,0]=4 205 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,0,0,0,0,0|4,0,0]=4 206 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,0,0,0,0,0|4,0,0]=4 207 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,0,0,0,0,0|4,0,0]=4 208 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,0,0,0,0,0|4,0,0]=4 209 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,0,0,0,0,0|2,0,2]=4 210 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,0,0,0,0,0|4,0,0]=4 211 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,0,0,0,0,0|3,0,0]=3 212 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,0,0,0,0,0|3,0,0]=3 213 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,0,0,0,0,0|3,0,0]=3 214 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,0,0,0,0,0|3,0,0]=3 215 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,0,0,0,0,0|4,0,0]=4 216 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,0,0,0,0,0|4,0,0]=4 217 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,0,0,0,0,0|4,0,0]=4 218 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,0,0,0,0,0|4,0,0]=4 219 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,0,0,0,0,0|4,0,0]=4 220 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,0,0,0,0,0|4,0,0]=4 221 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,0,0,0,0,0|4,0,0]=4 222 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,0,0,0,0,0|4,0,0]=4 223 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,0,0,0,0,0|4,0,0]=4 224 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,0,0,0,0,0|4,0,0]=4 225 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,0,0,0,0,0|4,0,0]=4 226 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,0,0,0,0,0|4,0,0]=4 227 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,0,0,0,0,0|4,0,0]=4 228 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,0,0,0,0,0|4,0,0]=4 229 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,0,0,0,0,0|4,0,0]=4 230 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,0,0,0,0,0|4,0,0]=4 231 B12R0.5 C=CCCCCCOCCOC=C 34a_100000033082_100000700193 [0,0,0,0,0,0|2,0,2]=4 232 B12R0.5 C=CCCCCCOCCOC=C 34a_100011216702_100000039644 [0,0,0,0,0,0|2,0,2]=4 233 B12R0.5 C=CCCCCCOCCOC=C 7a_100011216702_100000039644 [0,0,0,0,0,0|2,0,2]=4 234 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,0,0,0,0,0|4,0,0]=4 235 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,0,0,0,0,0|4,0,0]=4 236 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,0,0,0,0,0|4,0,0]=4 237 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,0,0,0,0,0|4,0,0]=4 238 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,0,0,0,0,0|4,0,0]=4 239 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,0,0,0,0,0|4,0,0]=4 240 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,0,0,0,0,0|4,0,0]=4 241 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,0,0,0,0,0|4,0,0]=4 242 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,0,0,0,0,0|2,0,2]=4 243 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,0,0,0,0,0|2,0,2]=4 244 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,0,0,0,0,0|3,0,0]=3 246 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,0,0,0,0,0|4,0,0]=4 247 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,0,0,0,0,0|4,0,0]=4 248 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,0,0,0,0,0|4,0,0]=4 249 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,0,0,0,0,0|4,0,0]=4 250 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,0,0,0,0,0|4,0,0]=4 251 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,0,0,0,0,0|4,0,0]=4 252 B12R0.5 C=CCCCCCSCCOC=C 62a_100000039644_100000700193 [0,0,0,0,0,0|2,0,2]=4 253 B12R0.5 C=CCCCCCSCCOC=C 62a_100000700193_100000039644 [0,0,0,0,0,0|2,0,2]=4 254 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,0,0,0,0,0|4,0,0]=4 255 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,0,0,0,0,0|4,0,0]=4 256 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,0,0,0,0,0|4,0,0]=4 257 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,0,0,0,0,0|4,0,0]=4 258 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,0,0,0,0,0|2,0,2]=4 259 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,0,0,0,0,0|3,0,0]=3 260 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,0,0,0,0,0|3,0,0]=3 261 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,0,0,0,0,0|3,0,0]=3 262 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,0,0,0,0,0|4,0,0]=4 263 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,0,0,0,0,0|4,0,0]=4 264 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,0,0,0,0,0|4,0,0]=4 265 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,0,0,0,0,0|4,0,0]=4 266 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,0,0,0,0,0|4,0,0]=4 267 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,0,0,0,0,0|4,0,0]=4 268 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,0,0,0,0,0|4,0,0]=4 269 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,0,0,0,0,0|4,0,0]=4 270 B12R0.5 C=CCCCCNCCCOC=C 2230a_100000210767_100011215482 [0,0,0,0,0,0|2,0,2]=4 271 B12R0.5 C=CCCCCNCCCOC=C 34a_100000210767_100011215482 [0,0,0,0,0,0|2,0,2]=4 272 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,0,0,0,0,0|4,0,0]=4 273 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,0,0,0,0,0|4,0,0]=4 274 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,0,0,0,0,0|4,0,0]=4 275 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,0,0,0,0,0|4,0,0]=4 276 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,0,0,0,0,0|4,0,0]=4 277 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,0,0,0,0,0|4,0,0]=4 278 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,0,0,0,0,0|4,0,0]=4 279 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,0,0,0,0,0|4,0,0]=4 280 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,0,0,0,0,0|4,0,0]=4 281 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,0,0,0,0,0|4,0,0]=4 282 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,0,0,0,0,0|4,0,0]=4 283 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,0,0,0,0,0|2,0,2]=4 284 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,0,0,0,0,0|4,0,0]=4 285 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,0,0,0,0,0|4,0,0]=4 286 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,0,0,0,0,0|3,0,0]=3 287 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,0,0,0,0,0|3,0,0]=3 288 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,0,0,0,0,0|3,0,0]=3 289 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,0,0,0,0,0|3,0,0]=3 290 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,0,0,0,0,0|4,0,0]=4 291 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,0,0,0,0,0|4,0,0]=4 292 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,0,0,0,0,0|4,0,0]=4 293 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,0,0,0,0,0|4,0,0]=4 294 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,0,0,0,0,0|4,0,0]=4 295 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,0,0,0,0,0|4,0,0]=4 296 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,0,0,0,0,0|4,0,0]=4 297 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,0,0,0,0,0|4,0,0]=4 298 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,0,0,0,0,0|4,0,0]=4 299 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,0,0,0,0,0|4,0,0]=4 300 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,0,0,0,0,0|4,0,0]=4 301 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,0,0,0,0,0|4,0,0]=4 302 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,0,0,0,0,0|4,0,0]=4 303 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,0,0,0,0,0|4,0,0]=4 304 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,0,0,0,0,0|4,0,0]=4 305 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,0,0,0,0,0|4,0,0]=4 306 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,0,0,0,0,0|4,0,0]=4 307 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,0,0,0,0,0|4,0,0]=4 308 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,0,0,0,0,0|4,0,0]=4 309 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,0,0,0,0,0|4,0,0]=4 310 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,0,0,0,0,0|4,0,0]=4 311 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,0,0,0,0,0|4,0,0]=4 312 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,0,0,0,0,0|4,0,0]=4 313 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,0,0,0,0,0|4,0,0]=4 314 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,0,0,0,0,0|4,0,0]=4 315 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,0,0,0,0,0|4,0,0]=4 316 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,0,0,0,0,0|4,0,0]=4 317 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,0,0,0,0,0|2,0,2]=4 318 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,0,0,0,0,0|2,0,2]=4 319 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,0,0,0,0,0|3,0,0]=3 320 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,0,0,0,0,0|3,0,0]=3 321 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,0,0,0,0,0|4,0,0]=4 322 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,0,0,0,0,0|4,0,0]=4 323 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,0,0,0,0,0|4,0,0]=4 324 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,0,0,0,0,0|4,0,0]=4 325 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,0,0,0,0,0|4,0,0]=4 326 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,0,0,0,0,0|4,0,0]=4 327 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,0,0,0,0,0|4,0,0]=4 328 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,0,0,0,0,0|4,0,0]=4 329 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,0,0,0,0,0|4,0,0]=4 330 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,0,0,0,0,0|4,0,0]=4 331 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,0,0,0,0,0|4,0,0]=4 332 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,0,0,0,0,0|4,0,0]=4 333 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,0,0,0,0,0|2,0,2]=4 334 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,0,0,0,0,0|3,0,0]=3 335 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,0,0,0,0,0|3,0,0]=3 336 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,0,0,0,0,0|3,0,0]=3 337 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,0,0,0,0,0|4,0,0]=4 338 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,0,0,0,0,0|4,0,0]=4 339 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,0,0,0,0,0|4,0,0]=4 340 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,0,0,0,0,0|4,0,0]=4 341 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,0,0,0,0,0|4,0,0]=4 342 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,0,0,0,0,0|4,0,0]=4 343 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,0,0,0,0,0|4,0,0]=4 344 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,0,0,0,0,0|4,0,0]=4 345 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,0,0,0,0,0|4,0,0]=4 346 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,0,0,0,0,0|4,0,0]=4 347 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,0,0,0,0,0|4,0,0]=4 348 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,0,0,0,0,0|4,0,0]=4 349 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,0,0,0,0,0|4,0,0]=4 350 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,0,0,0,0,0|2,0,2]=4 351 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,0,0,0,0,0|4,0,0]=4 352 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,0,0,0,0,0|4,0,0]=4 353 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,0,0,0,0,0|3,0,0]=3 354 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,0,0,0,0,0|3,0,0]=3 355 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,0,0,0,0,0|3,0,0]=3 356 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,0,0,0,0,0|3,0,0]=3 357 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,0,0,0,0,0|4,0,0]=4 358 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,0,0,0,0,0|4,0,0]=4 359 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,0,0,0,0,0|4,0,0]=4 360 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,0,0,0,0,0|4,0,0]=4 361 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,0,0,0,0,0|4,0,0]=4 362 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,0,0,0,0,0|4,0,0]=4 363 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,0,0,0,0,0|4,0,0]=4 364 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,0,0,0,0,0|4,0,0]=4 365 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,0,0,0,0,0|4,0,0]=4 366 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,0,0,0,0,0|4,0,0]=4 367 B12R0.5 C=CCCCOCCCCOC=C 34a_100000031558_100000757094 [0,0,0,0,0,0|2,0,2]=4 368 B12R0.5 C=CCCCOCCCCOC=C 7a_100000031558_100000757094 [0,0,0,0,0,0|2,0,2]=4 369 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,0,0,0,0,0|4,0,0]=4 370 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,0,0,0,0,0|4,0,0]=4 371 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,0,0,0,0,0|4,0,0]=4 372 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,0,0,0,0,0|4,0,0]=4 373 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,0,0,0,0,0|4,0,0]=4 374 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,0,0,0,0,0|4,0,0]=4 375 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,0,0,0,0,0|2,0,2]=4 376 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,0,0,0,0,0|2,0,2]=4 377 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,0,0,0,0,0|3,0,0]=3 378 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,0,0,0,0,0|3,0,0]=3 379 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,0,0,0,0,0|4,0,0]=4 380 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,0,0,0,0,0|4,0,0]=4 381 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,0,0,0,0,0|4,0,0]=4 382 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,0,0,0,0,0|4,0,0]=4 383 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,0,0,0,0,0|4,0,0]=4 384 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,0,0,0,0,0|4,0,0]=4 385 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,0,0,0,0,0|3,0,0]=3 386 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,0,0,0,0,0|3,0,0]=3 387 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,0,0,0,0,0|3,0,0]=3 388 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,0,0,0,0,0|4,0,0]=4 389 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,0,0,0,0,0|4,0,0]=4 390 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,0,0,0,0,0|4,0,0]=4 391 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,0,0,0,0,0|4,0,0]=4 392 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,0,0,0,0,0|4,0,0]=4 393 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,0,0,0,0,0|4,0,0]=4 394 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,0,0,0,0,0|4,0,0]=4 395 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,0,0,0,0,0|4,0,0]=4 396 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,0,0,0,0,0|3,0,0]=3 397 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,0,0,0,0,0|3,0,0]=3 398 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,0,0,0,0,0|3,0,0]=3 399 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,0,0,0,0,0|4,0,0]=4 400 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,0,0,0,0,0|4,0,0]=4 401 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,0,0,0,0,0|4,0,0]=4 402 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,0,0,0,0,0|4,0,0]=4 403 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,0,0,0,0,0|4,0,0]=4 404 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,0,0,0,0,0|4,0,0]=4 405 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,0,0,0,0,0|4,0,0]=4 406 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,0,0,0,0,0|4,0,0]=4 407 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,0,0,0,0,0|4,0,0]=4 408 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,0,0,0,0,0|4,0,0]=4 409 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,0,0,0,0,0|3,0,0]=3 410 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,0,0,0,0,0|3,0,0]=3 411 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,0,0,0,0,0|4,0,0]=4 412 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,0,0,0,0,0|4,0,0]=4 413 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,0,0,0,0,0|4,0,0]=4 414 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,0,0,0,0,0|4,0,0]=4 415 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,0,0,0,0,0|3,0,0]=3 416 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,0,0,0,0,0|3,0,0]=3 417 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,0,0,0,0,0|3,0,0]=3 418 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,0,0,0,0,0|4,0,0]=4 419 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,0,0,0,0,0|4,0,0]=4 420 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,0,0,0,0,0|4,0,0]=4 421 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,0,0,0,0,0|4,0,0]=4 422 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,0,0,0,0,0|4,0,0]=4 423 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,0,0,0,0,0|3,0,0]=3 424 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,0,0,0,0,0|3,0,0]=3 425 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,0,0,0,0,0|3,0,0]=3 426 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,0,0,0,0,0|4,0,0]=4 427 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,0,0,0,0,0|4,0,0]=4 428 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,0,0,0,0,0|4,0,0]=4 429 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,0,0,0,0,0|4,0,0]=4 430 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,0,0,0,0,0|4,0,0]=4 431 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,0,0,0,0,0|4,0,0]=4 432 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,0,0,0,0,0|4,0,0]=4 433 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,0,0,0,0,0|4,0,0]=4 434 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,0,0,0,0,0|4,0,0]=4 435 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,0,0,0,0,0|4,0,0]=4 436 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,0,0,0,0,0|4,0,0]=4 437 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,0,0,0,0,0|3,0,0]=3 438 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,0,0,0,0,0|4,0,0]=4 439 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,0,0,0,0,0|4,0,0]=4 440 B12R0.5 C=COCCCCOC/C=C\CC 34a_100000031558_100103147603 [0,0,0,0,0,0|2,0,2]=4 441 B12R0.5 C=COCCCCOC/C=C\CC 7a_100000031558_100103147603 [0,0,0,0,0,0|2,0,2]=4 442 B12R0.5 C=COCCCCOCC#CCC 34a_100000031558_100009813939 [0,0,0,0,0,0|2,0,2]=4 443 B12R0.5 C=COCCCCOCC#CCC 7a_100000031558_100009813939 [0,0,0,0,0,0|2,0,2]=4 444 B12R0.5 C=COCCCCOCCCC#N 7a_100000031558_100000687738 [0,0,0,0,0,0|3,0,1]=4 445 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,0,0,0,0,0|3,0,1]=4 446 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,0,0,0,0,0|2,0,0]=2 447 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,0,0,0,0,0|2,0,0]=2 448 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,0,0,0,0,0|3,0,0]=3 449 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,0,0,0,0,0|3,0,0]=3 450 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,0,0,0,0,0|3,0,0]=3 451 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,0,0,0,0,0|3,0,0]=3 452 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,0,0,0,0,0|3,0,0]=3 453 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,0,0,0,0,0|3,0,0]=3 454 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,0,0,0,0,0|3,0,0]=3 455 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,0,0,0,0,0|3,0,0]=3 456 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,0,0,0,0,0|3,0,0]=3 457 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,0,0,0,0,0|3,0,0]=3 458 B12R0.5 C=COCCCNCC/C=C\CC 2230a_100000210767_100015370543 [0,0,0,0,0,0|2,0,2]=4 459 B12R0.5 C=COCCCNCC/C=C\CC 34a_100000210767_100015370543 [0,0,0,0,0,0|2,0,2]=4 460 B12R0.5 C=COCCCNCCCCC#N 2230a_100000210767_100000211819 [0,0,0,0,0,0|3,0,1]=4 461 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,0,0,0,0,0|3,0,1]=4 462 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,0,0,0,0,0|2,0,0]=2 463 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,0,0,0,0,0|2,0,0]=2 464 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,0,0,0,0,0|3,0,0]=3 465 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,0,0,0,0,0|3,0,0]=3 466 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,0,0,0,0,0|3,0,0]=3 467 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,0,0,0,0,0|3,0,0]=3 468 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,0,0,0,0,0|3,0,0]=3 469 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,0,0,0,0,0|3,0,0]=3 470 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,0,0,0,0,0|3,0,0]=3 471 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,0,0,0,0,0|3,0,0]=3 472 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,0,0,0,0,0|3,0,0]=3 473 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,0,0,0,0,0|3,0,0]=3 474 B12R0.5 C=COCCCNCCOCCO 2230a_100000210767_100011215305 [0,0,0,0,0,0|4,0,0]=4 475 B12R0.5 C=COCCCNCCOCCO 34a_100000210767_100000692535 [0,0,0,0,0,0|4,0,0]=4 476 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,0,0,0,0,0|3,0,0]=3 477 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,0,0,0,0,0|3,0,0]=3 478 B12R0.5 C=COCCCNCOCCOC 2230a_100000210767_100000231047 [0,0,0,0,0,0|4,0,0]=4 479 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,0,0,0,0,0|2,0,0]=2 480 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,0,0,0,0,0|3,0,0]=3 481 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,0,0,0,0,0|3,0,0]=3 482 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,0,0,0,0,0|3,0,0]=3 483 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,0,0,0,0,0|3,0,0]=3 484 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,0,0,0,0,0|3,0,0]=3 485 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,0,0,0,0,0|3,0,0]=3 486 B12R0.5 C=COCCNCCOCCOC 2230a_100000745349_100000039644 [0,0,0,0,0,0|4,0,0]=4 487 B12R0.5 C=COCCNCCOCCOC 34a_100000745349_100000039644 [0,0,0,0,0,0|4,0,0]=4 488 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,0,0,0,0,0|3,0,0]=3 489 B12R0.5 C=COCCOC/C=C/CCCC 34a_200016272032_100000039644 [0,0,0,0,0,0|2,0,2]=4 490 B12R0.5 C=COCCOC/C=C/CCCC 7a_200016272032_100000039644 [0,0,0,0,0,0|2,0,2]=4 491 B12R0.5 C=COCCOCC#CCCCC 34a_200000034558_100000039644 [0,0,0,0,0,0|2,0,2]=4 492 B12R0.5 C=COCCOCC#CCCCC 7a_200000034558_100000039644 [0,0,0,0,0,0|2,0,2]=4 493 B12R0.5 C=COCCOCCC#CCCC 34a_100000042726_100000039644 [0,0,0,0,0,0|2,0,2]=4 494 B12R0.5 C=COCCOCCC#CCCC 7a_100000042726_100000039644 [0,0,0,0,0,0|2,0,2]=4 495 B12R0.5 C=COCCOCCC/C=C/CC 34a_100016287902_100000039644 [0,0,0,0,0,0|2,0,2]=4 496 B12R0.5 C=COCCOCCC/C=C/CC 7a_100016287902_100000039644 [0,0,0,0,0,0|2,0,2]=4 497 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,0,0,0,0,0|3,0,0]=3 498 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,0,0,0,0,0|3,0,0]=3 499 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,0,0,0,0,0|2,0,0]=2 500 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,0,0,0,0,0|2,0,0]=2 501 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,0,0,0,0,0|2,0,0]=2 502 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,0,0,0,0,0|3,0,0]=3 503 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,0,0,0,0,0|3,0,0]=3 504 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,0,0,0,0,0|3,0,0]=3 505 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,0,0,0,0,0|3,0,0]=3 506 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,0,0,0,0,0|3,0,0]=3 507 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,0,0,0,0,0|3,0,0]=3 508 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,0,0,0,0,0|3,0,0]=3 509 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,0,0,0,0,0|3,0,0]=3 510 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,0,0,0,0,0|3,0,0]=3 511 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,0,0,0,0,0|3,0,0]=3 512 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,0,0,0,0,0|3,0,0]=3 513 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,0,0,0,0,0|3,0,0]=3 514 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,0,0,0,0,0|3,0,0]=3 515 B12R0.5 C=COCCOCCOCCCF 34a_100000039918_100011934791 [0,0,0,0,0,0|4,0,0]=4 516 B12R0.5 C=COCCOCCOCCCF 7a_100000039918_100011934791 [0,0,0,0,0,0|4,0,0]=4 517 B12R0.5 C=COCCOCCOCCCO 34a_100000039918_100000230001 [0,0,0,0,0,0|4,0,0]=4 518 B12R0.5 C=COCCOCCOCCCO 7a_100000039918_100011215043 [0,0,0,0,0,0|4,0,0]=4 519 B12R0.5 C=COCCOCCOCCNC 34a_100000228057_100000039644 [0,0,0,0,0,0|4,0,0]=4 520 B12R0.5 C=COCCOCCOCCOC 34a_100000033082_100000695917 [0,0,0,0,0,0|4,0,0]=4 521 B12R0.5 C=COCCOCCOCCOC 34a_100000039918_100011201679 [0,0,0,0,0,0|4,0,0]=4 522 B12R0.5 C=COCCOCCOCCOC 34a_100011215163_100000039644 [0,0,0,0,0,0|4,0,0]=4 523 B12R0.5 C=COCCOCCOCCOC 7a_100000039918_100000233755 [0,0,0,0,0,0|4,0,0]=4 524 B12R0.5 C=COCCOCCOCCOC 7a_100011215163_100000039644 [0,0,0,0,0,0|4,0,0]=4 525 B12R0.5 C=COCCOCCOCCSC 34a_100000039918_100000212216 [0,0,0,0,0,0|4,0,0]=4 526 B12R0.5 C=COCCOCCOCCSC 7a_100000039918_100000212216 [0,0,0,0,0,0|4,0,0]=4 527 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,0,0,0,0,0|3,0,0]=3 528 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,0,0,0,0,0|3,0,0]=3 529 B12R0.5 C=COCCSCCCCCC#N 62a_100000039644_100009813376 [0,0,0,0,0,0|3,0,1]=4 530 B12R0.5 C=COCCSCCCCCC#N 62a_100009813376_100000039644 [0,0,0,0,0,0|3,0,1]=4 531 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,0,0,0,0,0|3,0,1]=4 532 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,0,0,0,0,0|3,0,1]=4 533 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,0,0,0,0,0|2,0,0]=2 534 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,0,0,0,0,0|2,0,0]=2 535 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,0,0,0,0,0|3,0,0]=3 536 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,0,0,0,0,0|3,0,0]=3 537 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,0,0,0,0,0|3,0,0]=3 538 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,0,0,0,0,0|3,0,0]=3 539 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,0,0,0,0,0|3,0,0]=3 540 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,0,0,0,0,0|3,0,0]=3 541 B12R0.5 C=COCCSCCOCCOC 62a_100000039644_100000695917 [0,0,0,0,0,0|4,0,0]=4 542 B12R0.5 C=COCCSCCOCCOC 62a_100000695917_100000039644 [0,0,0,0,0,0|4,0,0]=4 543 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,0,0,0,0,0|3,0,1]=4 544 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,0,0,0,0,0|3,0,1]=4 545 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,0,0,0,0,0|3,0,1]=4 546 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,0,0,0,0,0|3,0,1]=4 547 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,0,0,0,0,0|3,0,1]=4 548 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,0,0,0,0,0|3,0,1]=4 549 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,0,0,0,0,0|3,0,1]=4 550 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,0,0,0,0,0|3,0,1]=4 551 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,0,0,0,0,0|3,0,1]=4 552 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,0,0,0,0,0|3,0,1]=4 553 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,0,0,0,0,0|2,0,2]=4 554 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,0,0,0,0,0|2,0,2]=4 555 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,0,0,0,0,0|2,0,2]=4 556 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,0,0,0,0,0|2,0,2]=4 557 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,0,0,0,0,0|2,0,2]=4 558 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,0,0,0,0,0|2,0,2]=4 559 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,0,0,0,0,0|2,0,2]=4 560 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,0,0,0,0,0|2,0,2]=4 561 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,0,0,0,0,0|3,0,1]=4 562 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,0,0,0,0,0|3,0,0]=3 563 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,0,0,0,0,0|4,0,0]=4 564 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,0,0,0,0,0|4,0,0]=4 565 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,0,0,0,0,0|4,0,0]=4 566 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,0,0,0,0,0|4,0,0]=4 567 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,0,0,0,0,0|4,0,0]=4 568 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,0,0,0,0,0|4,0,0]=4 569 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,0,0,0,0,0|3,0,0]=3 570 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,0,0,0,0,0|3,0,0]=3 571 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,0,0,0,0,0|4,0,0]=4 572 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,0,0,0,0,0|4,0,0]=4 573 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,0,0,0,0,0|4,0,0]=4 574 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,0,0,0,0,0|4,0,0]=4 575 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,0,0,0,0,0|4,0,0]=4 576 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,0,0,0,0,0|4,0,0]=4 577 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,0,0,0,0,0|3,0,0]=3 578 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,0,0,0,0,0|3,0,0]=3 579 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,0,0,0,0,0|4,0,0]=4 580 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,0,0,0,0,0|4,0,0]=4 581 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,0,0,0,0,0|4,0,0]=4 582 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,0,0,0,0,0|4,0,0]=4 583 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,0,0,0,0,0|4,0,0]=4 584 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,0,0,0,0,0|4,0,0]=4 585 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,0,0,0,0,0|4,0,0]=4 586 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,0,0,0,0,0|4,0,0]=4 587 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,0,0,0,0,0|3,0,0]=3 588 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,0,0,0,0,0|3,0,0]=3 589 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,0,0,0,0,0|4,0,0]=4 590 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,0,0,0,0,0|4,0,0]=4 591 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,0,0,0,0,0|4,0,0]=4 592 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,0,0,0,0,0|4,0,0]=4 593 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [0,0,0,0,0,0|1,0,3]=4 594 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,0,0,0,0,0|2,0,2]=4 595 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [0,0,0,0,0,0|2,0,2]=4 596 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [0,0,0,0,0,0|2,0,2]=4 597 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,0,0,0,0,0|2,0,2]=4 598 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [0,0,0,0,0,0|2,0,2]=4 599 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [0,0,0,0,0,0|2,0,2]=4 600 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [0,0,0,0,0,0|1,0,3]=4 601 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [0,0,0,0,0,0|1,0,3]=4 602 B12R0.5 CCCC/C=C/CCCCOCF 34a_200020645093_100015361967 [0,0,0,0,0,0|1,0,3]=4 603 B12R0.5 CCCC/C=C/CCCCOCF 7a_200020645093_100015361967 [0,0,0,0,0,0|1,0,3]=4 604 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [0,0,0,0,0,0|2,0,2]=4 605 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [0,0,0,0,0,0|1,0,3]=4 606 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [0,0,0,0,0,0|1,0,3]=4 607 B12R0.5 CCCCC#CCCCCOCF 34a_200000066234_100015361967 [0,0,0,0,0,0|1,0,3]=4 608 B12R0.5 CCCCC#CCCCCOCF 7a_200000066234_100015361967 [0,0,0,0,0,0|1,0,3]=4 609 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [0,0,0,0,0,0|2,0,2]=4 610 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [0,0,0,0,0,0|2,0,2]=4 611 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [0,0,0,0,0,0|2,0,2]=4 612 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [0,0,0,0,0,0|1,0,3]=4 613 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [0,0,0,0,0,0|1,0,3]=4 614 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [0,0,0,0,0,0|1,0,3]=4 615 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [0,0,0,0,0,0|1,0,3]=4 616 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [0,0,0,0,0,0|2,0,2]=4 617 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [0,0,0,0,0,0|2,0,2]=4 618 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [0,0,0,0,0,0|2,0,2]=4 619 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [0,0,0,0,0,0|2,0,2]=4 620 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,0,0,0,0,0|2,0,2]=4 621 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,0,0,0,0,0|2,0,2]=4 622 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [0,0,0,0,0,0|1,0,3]=4 623 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [0,0,0,0,0,0|1,0,3]=4 624 B12R0.5 CCCCCCC#CCCOCF 34a_200000033163_100015361967 [0,0,0,0,0,0|1,0,3]=4 625 B12R0.5 CCCCCCC#CCCOCF 7a_200000033163_100015361967 [0,0,0,0,0,0|1,0,3]=4 626 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [0,0,0,0,0,0|2,0,2]=4 627 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [0,0,0,0,0,0|2,0,2]=4 628 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [0,0,0,0,0,0|1,0,3]=4 629 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [0,0,0,0,0,0|1,0,3]=4 630 B12R0.5 CCCCCCCC#CCOCF 34a_200000061759_100015361967 [0,0,0,0,0,0|1,0,3]=4 631 B12R0.5 CCCCCCCC#CCOCF 7a_200000061759_100015361967 [0,0,0,0,0,0|1,0,3]=4 632 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,0,0,0,0,0|3,0,0]=3 633 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,0,0,0,0,0|3,0,0]=3 634 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,0,0,0,0,0|3,0,0]=3 635 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,0,0,0,0,0|3,0,0]=3 636 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,0,0,0,0,0|3,0,0]=3 637 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,0,0,0,0,0|3,0,0]=3 638 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,0,0,0,0,0|3,0,0]=3 639 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,0,0,0,0,0|3,0,0]=3 640 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,0,0,0,0,0|3,0,0]=3 641 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,0,0,0,0,0|3,0,0]=3 642 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,0,0,0,0,0|3,0,0]=3 643 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,0,0,0,0,0|3,0,0]=3 644 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,0,0,0,0,0|3,0,0]=3 645 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,0,0,0,0,0|3,0,0]=3 646 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,0,0,0,0,0|2,0,1]=3 647 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,0,0,0,0,0|2,0,1]=3 648 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,0,0,0,0,0|2,0,1]=3 649 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,0,0,0,0,0|2,0,1]=3 650 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,0,0,0,0,0|1,0,1]=2 651 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,0,0,0,0,0|1,0,1]=2 652 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,0,0,0,0,0|1,0,1]=2 653 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,0,0,0,0,0|1,0,1]=2 654 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,0,0,0,0,0|1,0,1]=2 655 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,0,0,0,0,0|1,1,1]=3 656 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,0,0,0,0,0|1,1,1]=3 657 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,0,0,0,0,0|3,0,1]=4 658 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,0,0,0,0,0|2,0,0]=2 659 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,0,0,0,0,0|2,0,0]=2 660 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,0,0,0,0,0|3,0,1]=4 661 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,0,0,0,0,0|3,0,1]=4 662 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,0,0,0,0,0|3,0,1]=4 663 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,0,0,0,0,0|3,0,1]=4 664 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,0,0,0,0,0|3,0,1]=4 665 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,0,0,0,0,0|2,0,2]=4 666 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,0,0,0,0,0|2,0,2]=4 667 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,0,0,0,0,0|2,0,2]=4 668 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,0,0,0,0,0|2,0,2]=4 669 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,0,0,0,0,0|4,0,0]=4 670 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,0,0,0,0,0|4,0,0]=4 671 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,0,0,0,0,0|4,0,0]=4 672 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,0,0,0,0,0|3,0,1]=4 673 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,0,0,0,0,0|2,0,0]=2 674 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,0,0,0,0,0|2,0,0]=2 675 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,0,0,0,0,0|3,0,1]=4 676 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,0,0,0,0,0|3,0,1]=4 677 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,0,0,0,0,0|3,0,1]=4 678 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,0,0,0,0,0|3,0,1]=4 679 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,0,0,0,0,0|3,0,1]=4 680 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,0,0,0,0,0|3,0,1]=4 681 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,0,0,0,0,0|3,0,1]=4 682 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,0,0,0,0,0|2,0,2]=4 683 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,0,0,0,0,0|2,0,2]=4 684 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,0,0,0,0,0|4,0,0]=4 685 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,0,0,0,0,0|3,0,1]=4 686 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,0,0,0,0,0|2,0,0]=2 687 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,0,0,0,0,0|3,0,1]=4 688 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,0,0,0,0,0|3,0,1]=4 689 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,0,0,0,0,0|2,0,2]=4 690 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,0,0,0,0,0|4,0,0]=4 691 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,0,0,0,0,0|4,0,0]=4 692 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,0,0,0,0,0|3,0,1]=4 693 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,0,0,0,0,0|3,0,1]=4 694 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,0,0,0,0,0|3,0,1]=4 695 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,0,0,0,0,0|3,0,1]=4 696 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,0,0,0,0,0|3,0,1]=4 697 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,0,0,0,0,0|3,0,1]=4 698 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,0,0,0,0,0|3,0,1]=4 699 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,0,0,0,0,0|3,0,1]=4 700 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,0,0,0,0,0|3,0,1]=4 701 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,0,0,0,0,0|2,0,2]=4 702 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,0,0,0,0,0|2,0,2]=4 703 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,0,0,0,0,0|4,0,0]=4 704 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,0,0,0,0,0|4,0,0]=4 705 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,0,0,0,0,0|4,0,0]=4 706 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,0,0,0,0,0|4,0,0]=4 707 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,0,0,0,0,0|4,0,0]=4 708 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,0,0,0,0,0|4,0,0]=4 709 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,0,0,0,0,0|3,0,1]=4 710 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,0,0,0,0,0|3,0,1]=4 711 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,0,0,0,0,0|3,0,1]=4 712 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,0,0,0,0,0|3,0,1]=4 713 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,0,0,0,0,0|3,0,1]=4 714 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,0,0,0,0,0|3,0,1]=4 715 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,0,0,0,0,0|3,0,1]=4 716 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,0,0,0,0,0|3,0,1]=4 717 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,0,0,0,0,0|3,0,1]=4 718 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,0,0,0,0,0|3,0,1]=4 719 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,0,0,0,0,0|3,0,1]=4 720 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,0,0,0,0,0|2,0,2]=4 721 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,0,0,0,0,0|2,0,2]=4 722 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,0,0,0,0,0|4,0,0]=4 723 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,0,0,0,0,0|4,0,0]=4 724 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,0,0,0,0,0|4,0,0]=4 725 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,0,0,0,0,0|4,0,0]=4 726 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,0,0,0,0,0|4,0,0]=4 727 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,0,0,0,0,0|4,0,0]=4 728 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,0,0,0,0,0|4,0,0]=4 729 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,0,0,0,0,0|4,0,0]=4 730 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,0,0,0,0,0|3,0,1]=4 731 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,0,0,0,0,0|3,0,1]=4 732 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,0,0,0,0,0|3,0,1]=4 733 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,0,0,0,0,0|3,0,1]=4 734 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,0,0,0,0,0|3,0,1]=4 735 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,0,0,0,0,0|3,0,1]=4 736 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,0,0,0,0,0|2,0,2]=4 737 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,0,0,0,0,0|2,0,2]=4 738 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,0,0,0,0,0|4,0,0]=4 739 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,0,0,0,0,0|4,0,0]=4 740 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,0,0,0,0,0|4,0,0]=4 741 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,0,0,0,0,0|4,0,0]=4 742 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,0,0,0,0,0|2,0,1]=3 743 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,0,0,0,0,0|2,0,1]=3 744 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,0,0,0,0,0|2,1,1]=4 745 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,0,0,0,0,0|2,1,1]=4 746 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,0,0,0,0,0|3,0,1]=4 747 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,0,0,0,0,0|2,0,0]=2 748 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,0,0,0,0,0|3,0,1]=4 749 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,0,0,0,0,0|3,0,1]=4 750 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,0,0,0,0,0|3,0,1]=4 751 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,0,0,0,0,0|2,0,2]=4 752 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,0,0,0,0,0|2,0,2]=4 753 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,0,0,0,0,0|2,0,2]=4 754 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,0,0,0,0,0|4,0,0]=4 755 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,0,0,0,0,0|4,0,0]=4 756 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,0,0,0,0,0|4,0,0]=4 757 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,0,0,0,0,0|2,0,1]=3 758 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,0,0,0,0,0|2,0,1]=3 759 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,0,0,0,0,0|2,0,1]=3 760 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,0,0,0,0,0|2,1,1]=4 761 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,0,0,0,0,0|2,1,1]=4 762 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,0,0,0,0,0|3,0,1]=4 763 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,0,0,0,0,0|2,0,0]=2 764 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,0,0,0,0,0|3,0,1]=4 765 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,0,0,0,0,0|3,0,1]=4 766 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,0,0,0,0,0|3,0,1]=4 767 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,0,0,0,0,0|3,0,1]=4 768 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,0,0,0,0,0|3,0,1]=4 769 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,0,0,0,0,0|3,0,1]=4 770 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,0,0,0,0,0|3,0,1]=4 771 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,0,0,0,0,0|3,0,1]=4 772 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,0,0,0,0,0|3,0,1]=4 773 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,0,0,0,0,0|3,0,1]=4 774 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,0,0,0,0,0|3,0,1]=4 775 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,0,0,0,0,0|3,0,1]=4 776 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,0,0,0,0,0|3,0,1]=4 777 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,0,0,0,0,0|2,0,2]=4 778 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,0,0,0,0,0|2,0,2]=4 779 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,0,0,0,0,0|4,0,0]=4 780 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,0,0,0,0,0|4,0,0]=4 781 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,0,0,0,0,0|4,0,0]=4 782 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,0,0,0,0,0|4,0,0]=4 783 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,0,0,0,0,0|4,0,0]=4 784 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,0,0,0,0,0|4,0,0]=4 785 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,0,0,0,0,0|2,0,1]=3 786 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,0,0,0,0,0|2,0,1]=3 787 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,0,0,0,0,0|2,0,1]=3 788 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,0,0,0,0,0|2,0,1]=3 789 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,0,0,0,0,0|2,1,1]=4 790 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,0,0,0,0,0|2,1,1]=4 791 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,0,0,0,0,0|2,1,1]=4 792 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,0,0,0,0,0|2,1,1]=4 793 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,0,0,0,0,0|3,0,1]=4 794 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,0,0,0,0,0|3,0,1]=4 795 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,0,0,0,0,0|2,0,0]=2 796 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,0,0,0,0,0|2,0,0]=2 797 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,0,0,0,0,0|3,0,1]=4 798 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,0,0,0,0,0|3,0,1]=4 799 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,0,0,0,0,0|3,0,1]=4 800 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,0,0,0,0,0|3,0,1]=4 801 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,0,0,0,0,0|2,0,2]=4 802 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,0,0,0,0,0|2,0,2]=4 803 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,0,0,0,0,0|4,0,0]=4 804 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,0,0,0,0,0|4,0,0]=4 805 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,0,0,0,0,0|2,0,1]=3 806 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,0,0,0,0,0|2,0,1]=3 807 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,0,0,0,0,0|2,1,1]=4 808 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,0,0,0,0,0|2,1,1]=4 809 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,0,0,0,0,0|2,1,1]=4 810 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,0,0,0,0,0|2,1,1]=4 811 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,0,0,0,0,0|3,0,1]=4 812 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,0,0,0,0,0|2,0,0]=2 813 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,0,0,0,0,0|3,0,1]=4 814 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,0,0,0,0,0|3,0,1]=4 815 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,0,0,0,0,0|2,0,2]=4 816 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,0,0,0,0,0|2,0,2]=4 817 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,0,0,0,0,0|2,0,2]=4 818 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,0,0,0,0,0|4,0,0]=4 819 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,0,0,0,0,0|4,0,0]=4 820 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,0,0,0,0,0|2,0,1]=3 821 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,0,0,0,0,0|2,0,1]=3 822 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,0,0,0,0,0|2,0,1]=3 823 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,0,0,0,0,0|3,0,1]=4 824 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,0,0,0,0,0|2,0,0]=2 825 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,0,0,0,0,0|3,0,1]=4 826 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,0,0,0,0,0|3,0,1]=4 827 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,0,0,0,0,0|3,0,1]=4 828 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,0,0,0,0,0|3,0,1]=4 829 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,0,0,0,0,0|3,0,1]=4 830 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,0,0,0,0,0|3,0,1]=4 831 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,0,0,0,0,0|3,0,1]=4 832 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,0,0,0,0,0|3,0,1]=4 833 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,0,0,0,0,0|3,0,1]=4 834 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,0,0,0,0,0|3,0,1]=4 835 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,0,0,0,0,0|3,0,1]=4 836 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,0,0,0,0,0|2,0,2]=4 837 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,0,0,0,0,0|2,0,2]=4 838 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,0,0,0,0,0|4,0,0]=4 839 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,0,0,0,0,0|4,0,0]=4 840 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,0,0,0,0,0|4,0,0]=4 841 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,0,0,0,0,0|4,0,0]=4 842 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,0,0,0,0,0|4,0,0]=4 843 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,0,0,0,0,0|2,0,1]=3 844 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,0,0,0,0,0|2,0,1]=3 845 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,0,0,0,0,0|2,0,1]=3 846 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,0,0,0,0,0|2,0,1]=3 847 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,0,0,0,0,0|2,1,1]=4 848 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,0,0,0,0,0|2,1,1]=4 849 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,0,0,0,0,0|3,0,0]=3 850 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,0,0,0,0,0|3,0,0]=3 851 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,0,0,0,0,0|3,0,1]=4 852 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,0,0,0,0,0|3,0,1]=4 853 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,0,0,0,0,0|2,0,0]=2 854 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,0,0,0,0,0|2,0,0]=2 855 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,0,0,0,0,0|3,0,1]=4 856 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,0,0,0,0,0|3,0,1]=4 857 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,0,0,0,0,0|3,0,1]=4 858 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,0,0,0,0,0|2,0,2]=4 859 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,0,0,0,0,0|2,0,2]=4 860 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,0,0,0,0,0|4,0,0]=4 861 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,0,0,0,0,0|4,0,0]=4 862 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,0,0,0,0,0|2,0,1]=3 863 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,0,0,0,0,0|2,0,1]=3 864 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,0,0,0,0,0|3,0,1]=4 865 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,0,0,0,0,0|2,0,0]=2 866 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,0,0,0,0,0|3,0,1]=4 867 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,0,0,0,0,0|2,0,2]=4 868 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,0,0,0,0,0|2,0,2]=4 869 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,0,0,0,0,0|2,0,2]=4 870 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,0,0,0,0,0|4,0,0]=4 871 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,0,0,0,0,0|4,0,0]=4 872 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,0,0,0,0,0|4,0,0]=4 873 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,0,0,0,0,0|3,0,1]=4 874 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,0,0,0,0,0|2,0,0]=2 875 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,0,0,0,0,0|3,0,1]=4 876 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,0,0,0,0,0|3,0,1]=4 877 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,0,0,0,0,0|3,0,1]=4 878 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,0,0,0,0,0|3,0,1]=4 879 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,0,0,0,0,0|3,0,1]=4 880 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,0,0,0,0,0|3,0,1]=4 881 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,0,0,0,0,0|3,0,1]=4 882 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,0,0,0,0,0|3,0,1]=4 883 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,0,0,0,0,0|3,0,1]=4 884 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,0,0,0,0,0|2,0,2]=4 885 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,0,0,0,0,0|2,0,2]=4 886 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,0,0,0,0,0|4,0,0]=4 887 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,0,0,0,0,0|3,0,1]=4 888 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,0,0,0,0,0|3,0,1]=4 889 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,0,0,0,0,0|2,0,0]=2 890 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,0,0,0,0,0|2,0,0]=2 891 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,0,0,0,0,0|3,0,1]=4 892 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,0,0,0,0,0|3,0,1]=4 893 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,0,0,0,0,0|2,0,2]=4 894 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,0,0,0,0,0|2,0,2]=4 895 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,0,0,0,0,0|3,0,1]=4 896 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,0,0,0,0,0|3,0,1]=4 897 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,0,0,0,0,0|2,0,2]=4 898 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,0,0,0,0,0|2,0,2]=4 899 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,0,0,0,0,0|2,0,2]=4 900 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,0,0,0,0,0|2,0,2]=4 901 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,0,0,0,0,0|4,0,0]=4 902 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,0,0,0,0,0|4,0,0]=4 903 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,0,0,0,0,0|3,0,0]=3 904 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [0,0,0,0,0,0|3,0,1]=4 905 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [0,0,0,0,0,0|3,0,1]=4 906 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [0,0,0,0,0,0|3,0,1]=4 907 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [0,0,0,0,0,0|3,0,1]=4 908 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,0,0,0,0,0|3,0,1]=4 909 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,0,0,0,0,0|3,0,1]=4 910 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,0,0,0,0,0|3,0,1]=4 911 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,0,0,0,0,0|3,0,1]=4 912 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,0,0,0,0,0|2,0,2]=4 913 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,0,0,0,0,0|2,0,2]=4 914 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,0,0,0,0,0|4,0,0]=4 915 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,0,0,0,0,0|4,0,0]=4 916 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,0,0,0,0,0|4,0,0]=4 917 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,0,0,0,0,0|4,0,0]=4 918 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,0,0,0,0,0|3,0,0]=3 919 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,0,0,0,0,0|3,0,0]=3 920 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [0,0,0,0,0,0|3,0,1]=4 921 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [0,0,0,0,0,0|3,0,1]=4 922 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,0,0,0,0,0|3,0,0]=3 923 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [0,0,0,0,0,0|3,0,1]=4 924 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [0,0,0,0,0,0|3,0,1]=4 925 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [0,0,0,0,0,0|3,0,1]=4 926 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [0,0,0,0,0,0|3,0,1]=4 927 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [0,0,0,0,0,0|3,0,1]=4 928 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [0,0,0,0,0,0|3,0,1]=4 929 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [0,0,0,0,0,0|3,0,1]=4 930 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [0,0,0,0,0,0|3,0,1]=4 931 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [0,0,0,0,0,0|3,0,1]=4 932 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [0,0,0,0,0,0|3,0,1]=4 933 B12R0.5 CCCCOCCOCCOCF 34a_100011215186_100015361967 [0,0,0,0,0,0|3,0,1]=4 934 B12R0.5 CCCCOCCOCCOCF 7a_100011215186_100015361967 [0,0,0,0,0,0|3,0,1]=4 935 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,0,0,0,0,0|3,0,0]=3 936 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,0,0,0,0,0|3,0,0]=3 937 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [0,0,0,0,0,0|3,0,1]=4 938 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [0,0,0,0,0,0|3,0,1]=4 939 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [0,0,0,0,0,0|3,0,1]=4 940 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [0,0,0,0,0,0|3,0,1]=4 941 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [0,0,0,0,0,0|3,0,1]=4 942 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,0,0,0,0,0|3,0,0]=3 943 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,0,0,0,0,0|3,0,0]=3 944 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [0,0,0,0,0,0|3,0,1]=4 945 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [0,0,0,0,0,0|3,0,1]=4 946 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,0,0,0,0,0|3,0,1]=4 947 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,0,0,0,0,0|3,0,1]=4 948 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,0,0,0,0,0|2,0,2]=4 949 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,0,0,0,0,0|2,0,2]=4 950 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,0,0,0,0,0|4,0,0]=4 951 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,0,0,0,0,0|4,0,0]=4 952 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,0,0,0,0,0|3,0,0]=3 953 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [0,0,0,0,0,0|3,0,1]=4 954 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,0,0,0,0,0|3,0,0]=3 955 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [0,0,0,0,0,0|3,0,1]=4 956 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [0,0,0,0,0,0|3,0,1]=4 957 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [0,0,0,0,0,0|3,0,1]=4 958 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [0,0,0,0,0,0|3,0,1]=4 959 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,0,0,0,0,0|2,0,2]=4 960 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,0,0,0,0,0|2,0,2]=4 961 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,0,0,0,0,0|4,0,0]=4 962 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,0,0,0,0,0|3,0,1]=4 963 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,0,0,0,0,0|3,0,1]=4 964 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,0,0,0,0,0|3,0,1]=4 965 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,0,0,0,0,0|3,0,1]=4 966 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,0,0,0,0,0|3,0,1]=4 967 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,0,0,0,0,0|2,0,2]=4 968 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,0,0,0,0,0|3,0,0]=3 969 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [0,0,0,0,0,0|3,0,1]=4 970 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [0,0,0,0,0,0|3,0,1]=4 971 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,0,0,0,0,0|3,0,0]=3 972 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [0,0,0,0,0,0|3,0,1]=4 973 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [0,0,0,0,0,0|3,0,1]=4 974 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [0,0,0,0,0,0|3,0,1]=4 975 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [0,0,0,0,0,0|3,0,1]=4 976 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,0,0,0,0,0|3,0,0]=3 977 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [0,0,0,0,0,0|3,0,1]=4 978 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [0,0,0,0,0,0|3,0,1]=4 979 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [0,0,0,0,0,0|3,0,1]=4 980 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [0,0,0,0,0,0|3,0,1]=4 981 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [0,0,0,0,0,0|4,0,0]=4 982 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [0,0,0,0,0,0|4,0,0]=4 983 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,0,0,0,0,0|3,0,0]=3 984 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,0,0,0,0,0|3,0,0]=3 985 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [0,0,0,0,0,0|3,0,1]=4 986 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [0,0,0,0,0,0|3,0,1]=4 987 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,0,0,0,0,0|2,0,2]=4 988 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,0,0,0,0,0|2,0,2]=4 989 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,0,0,0,0,0|3,0,0]=3 990 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [0,0,0,0,0,0|3,0,1]=4 991 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,0,0,0,0,0|3,0,0]=3 992 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [0,0,0,0,0,0|3,0,1]=4 993 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [0,0,0,0,0,0|3,0,1]=4 994 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,0,0,0,0,0|2,0,2]=4 995 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,0,0,0,0,0|2,0,2]=4 996 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,0,0,0,0,0|2,0,2]=4 997 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,0,0,0,0,0|2,0,1]=3 998 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,0,0,0,0,0|2,0,1]=3 999 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1000 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1001 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,0,0,0,0,0|2,0,1]=3 1002 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,0,0,0,0,0|2,0,1]=3 1003 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,0,0,0,0,0|3,0,0]=3 1004 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,0,0,0,0,0|3,0,1]=4 1005 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,0,0,0,0,0|3,0,1]=4 1006 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,0,0,0,0,0|3,0,1]=4 1007 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,0,0,0,0,0|3,0,1]=4 1008 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,0,0,0,0,0|3,0,1]=4 1009 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,0,0,0,0,0|3,0,1]=4 1010 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,0,0,0,0,0|3,0,1]=4 1011 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,0,0,0,0,0|3,0,1]=4 1012 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [0,0,0,0,0,0|3,0,1]=4 1013 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [0,0,0,0,0,0|3,0,1]=4 1014 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,0,0,0,0,0|3,0,0]=3 1015 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,0,0,0,0,0|3,0,1]=4 1016 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,0,0,0,0,0|3,0,1]=4 1017 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,0,0,0,0,0|3,0,1]=4 1018 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,0,0,0,0,0|3,0,1]=4 1019 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,0,0,0,0,0|3,0,1]=4 1020 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,0,0,0,0,0|3,0,1]=4 1021 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,0,0,0,0,0|3,0,1]=4 1022 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,0,0,0,0,0|3,0,1]=4 1023 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,0,0,0,0,0|3,0,1]=4 1024 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,0,0,0,0,0|3,0,1]=4 1025 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,0,0,0,0,0|3,0,1]=4 1026 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,0,0,0,0,0|3,0,1]=4 1027 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,0,0,0,0,0|3,0,1]=4 1028 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,0,0,0,0,0|3,0,1]=4 1029 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,0,0,0,0,0|3,0,1]=4 1030 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,0,0,0,0,0|3,0,1]=4 1031 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [0,0,0,0,0,0|3,0,1]=4 1032 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [0,0,0,0,0,0|3,0,1]=4 1033 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [0,0,0,0,0,0|3,0,1]=4 1034 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [0,0,0,0,0,0|3,0,1]=4 1035 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,0,0,0,0,0|3,0,0]=3 1036 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,0,0,0,0,0|3,0,0]=3 1037 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,0,0,0,0,0|3,0,1]=4 1038 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,0,0,0,0,0|3,0,1]=4 1039 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,0,0,0,0,0|3,0,1]=4 1040 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,0,0,0,0,0|3,0,1]=4 1041 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,0,0,0,0,0|3,0,1]=4 1042 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,0,0,0,0,0|3,0,1]=4 1043 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [0,0,0,0,0,0|3,0,1]=4 1044 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,0,0,0,0,0|3,0,0]=3 1045 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,0,0,0,0,0|3,0,1]=4 1046 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,0,0,0,0,0|3,0,1]=4 1047 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,0,0,0,0,0|3,0,1]=4 1048 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,0,0,0,0,0|3,0,1]=4 1049 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,0,0,0,0,0|3,0,1]=4 1050 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,0,0,0,0,0|3,0,1]=4 1051 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,0,0,0,0,0|3,0,1]=4 1052 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,0,0,0,0,0|3,0,1]=4 1053 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,0,0,0,0,0|3,0,0]=3 1054 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,0,0,0,0,0|3,0,1]=4 1055 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,0,0,0,0,0|3,0,1]=4 1056 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,0,0,0,0,0|3,0,1]=4 1057 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,0,0,0,0,0|3,0,1]=4 1058 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,0,0,0,0,0|3,0,1]=4 1059 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,0,0,0,0,0|3,0,1]=4 1060 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,0,0,0,0,0|3,0,1]=4 1061 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,0,0,0,0,0|3,0,1]=4 1062 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,0,0,0,0,0|3,0,1]=4 1063 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,0,0,0,0,0|3,0,1]=4 1064 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,0,0,0,0,0|3,0,1]=4 1065 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,0,0,0,0,0|3,0,1]=4 1066 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,0,0,0,0,0|3,0,0]=3 1067 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,0,0,0,0,0|3,0,0]=3 1068 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,0,0,0,0,0|3,0,1]=4 1069 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,0,0,0,0,0|3,0,1]=4 1070 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,0,0,0,0,0|3,0,1]=4 1071 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,0,0,0,0,0|3,0,1]=4 1072 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,0,0,0,0,0|3,0,1]=4 1073 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,0,0,0,0,0|3,0,1]=4 1074 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,0,0,0,0,0|3,0,1]=4 1075 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,0,0,0,0,0|3,0,1]=4 1076 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,0,0,0,0,0|2,0,2]=4 1077 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,0,0,0,0,0|2,0,2]=4 1078 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,0,0,0,0,0|3,0,0]=3 1079 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,0,0,0,0,0|3,0,0]=3 1080 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,0,0,0,0,0|3,0,0]=3 1081 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,0,0,0,0,0|3,0,0]=3 1082 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,0,0,0,0,0|3,0,0]=3 1083 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,0,0,0,0,0|2,0,2]=4 1084 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,0,0,0,0,0|2,0,2]=4 1085 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,0,0,0,0,0|2,0,2]=4 1086 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,0,0,0,0,0|2,0,2]=4 1087 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,0,0,0,0,0|2,0,2]=4 1088 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,0,0,0,0,0|3,0,1]=4 1089 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,0,0,0,0,0|3,0,1]=4 1090 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,0,0,0,0,0|3,0,1]=4 1091 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,0,0,0,0,0|3,0,1]=4 1092 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,0,0,0,0,0|3,0,1]=4 1093 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,0,0,0,0,0|2,0,2]=4 1094 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,0,0,0,0,0|3,0,0]=3 1095 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,0,0,0,0,0|3,0,0]=3 1096 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,0,0,0,0,0|3,0,0]=3 1097 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,0,0,0,0,0|4,0,0]=4 1098 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,0,0,0,0,0|4,0,0]=4 1099 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,0,0,0,0,0|3,0,0]=3 1100 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,0,0,0,0,0|3,0,0]=3 1101 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,0,0,0,0,0|4,0,0]=4 1102 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,0,0,0,0,0|4,0,0]=4 1103 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,0,0,0,0,0|4,0,0]=4 1104 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,0,0,0,0,0|4,0,0]=4 1105 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,0,0,0,0,0|4,0,0]=4 1106 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,0,0,0,0,0|4,0,0]=4 1107 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,0,0,0,0,0|2,0,2]=4 1108 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,0,0,0,0,0|2,0,2]=4 1109 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,0,0,0,0,0|3,0,0]=3 1110 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,0,0,0,0,0|3,0,0]=3 1111 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,0,0,0,0,0|3,0,0]=3 1112 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,0,0,0,0,0|2,0,1]=3 1113 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,0,0,0,0,0|2,0,1]=3 1114 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,0,0,0,0,0|2,0,1]=3 1115 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,0,0,0,0,0|2,0,1]=3 1116 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,0,0,0,0,0|3,0,1]=4 1117 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,0,0,0,0,0|3,0,1]=4 1118 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,0,0,0,0,0|3,0,1]=4 1119 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,0,0,0,0,0|3,0,1]=4 1120 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,0,0,0,0,0|3,0,1]=4 1121 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,0,0,0,0,0|3,0,1]=4 1122 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,0,0,0,0,0|2,0,1]=3 1123 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,0,0,0,0,0|3,0,0]=3 1124 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,0,0,0,0,0|4,0,0]=4 1125 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,0,0,0,0,0|3,0,0]=3 1126 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,0,0,0,0,0|3,0,0]=3 1127 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,0,0,0,0,0|3,0,0]=3 1128 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,0,0,0,0,0|3,0,1]=4 1129 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,0,0,0,0,0|3,0,1]=4 1130 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,0,0,0,0,0|3,0,0]=3 1131 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,0,0,0,0,0|3,0,0]=3 1132 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,0,0,0,0,0|3,0,0]=3 1133 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,0,0,0,0,0|3,0,0]=3 1134 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,0,0,0,0,0|3,0,0]=3 1135 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,0,0,0,0,0|4,0,0]=4 1136 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,0,0,0,0,0|4,0,0]=4 1137 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,0,0,0,0,0|3,0,0]=3 1138 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,0,0,0,0,0|3,0,0]=3 1139 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,0,0,0,0,0|3,0,0]=3 1140 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,0,0,0,0,0|4,0,0]=4 1141 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,0,0,0,0,0|4,0,0]=4 1142 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,0,0,0,0,0|4,0,0]=4 1143 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,0,0,0,0,0|4,0,0]=4 1144 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,0,0,0,0,0|3,0,1]=4 1145 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,0,0,0,0,0|3,0,0]=3 1146 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,0,0,0,0,0|3,0,0]=3 1147 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,0,0,0,0,0|3,0,0]=3 1148 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,0,0,0,0,0|3,0,0]=3 1149 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,0,0,0,0,0|4,0,0]=4 1150 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,0,0,0,0,0|4,0,0]=4 1151 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,0,0,0,0,0|3,0,0]=3 1152 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,0,0,0,0,0|3,0,0]=3 1153 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,0,0,0,0,0|3,0,0]=3 1154 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,0,0,0,0,0|3,0,0]=3 1155 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,0,0,0,0,0|3,0,0]=3 1156 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,0,0,0,0,0|3,0,0]=3 1157 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,0,0,0,0,0|3,0,0]=3 1158 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,0,0,0,0,0|3,0,0]=3 1159 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,0,0,0,0,0|3,0,0]=3 1160 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,0,0,0,0,0|3,0,0]=3 1161 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,0,0,0,0,0|3,0,0]=3 1162 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,0,0,0,0,0|3,0,0]=3 1163 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,0,0,0,0,0|3,0,0]=3 1164 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,0,0,0,0,0|3,0,0]=3 1165 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,0,0,0,0,0|3,0,0]=3 1166 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,0,0,0,0,0|3,0,0]=3 1167 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,0,0,0,0,0|3,0,1]=4 1168 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,0,0,0,0,0|2,1,1]=4 1169 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,0,0,0,0,0|2,1,1]=4 1170 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,0,0,0,0,0|2,0,2]=4 1171 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,0,0,0,0,0|2,0,2]=4 1172 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,0,0,0,0,0|3,0,1]=4 1173 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,0,0,0,0,0|3,0,1]=4 1174 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,0,0,0,0,0|3,0,1]=4 1175 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,0,0,0,0,0|3,0,1]=4 1176 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,0,0,0,0,0|3,0,1]=4 1177 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,0,0,0,0,0|2,0,2]=4 1178 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,0,0,0,0,0|2,0,2]=4 1179 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,0,0,0,0,0|0,0,3]=4 1180 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,0,0,0,0,0|0,0,3]=4 1181 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,0,0,0,0,0|0,0,3]=4 1182 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,0,0,0,0,0|0,0,3]=4 1183 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [1,0,0,0,0,0|2,0,1]=4 1184 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1185 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,0,0,0,0,0|2,0,1]=4 1186 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1187 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [1,0,0,0,0,0|2,0,1]=4 1188 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1189 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,0,0,0,0,0|1,0,2]=4 1190 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,0,0,0,0,0|1,0,2]=4 1191 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [1,0,0,0,0,0|2,0,1]=4 1192 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [1,0,0,0,0,0|2,0,1]=4 1193 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [1,0,0,0,0,0|2,0,1]=4 1194 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,0,0,0,0,0|1,0,2]=4 1195 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,0,0,0,0,0|1,0,2]=4 1196 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [1,0,0,0,0,0|2,0,1]=4 1197 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [1,0,0,0,0,0|2,0,1]=4 1198 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [1,0,0,0,0,0|2,0,1]=4 1199 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [1,0,0,0,0,0|2,0,1]=4 1200 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,0,0,0,0,0|2,0,1]=4 1201 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,0,0,0,0,0|2,0,1]=4 1202 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,0,0,0,0,0|2,0,1]=4 1203 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,0,0,0,0,0|2,0,1]=4 1204 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [1,0,0,0,0,0|2,0,1]=4 1205 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [1,0,0,0,0,0|2,0,1]=4 1206 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,0,0,0,0,0|1,0,2]=4 1207 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [1,0,0,0,0,0|2,0,1]=4 1208 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [1,0,0,0,0,0|2,0,1]=4 1209 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [1,0,0,0,0,0|2,0,1]=4 1210 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,0,0,0,0,0|1,0,2]=4 1211 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [1,0,0,0,0,0|2,0,1]=4 1212 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [1,0,0,0,0,0|2,0,1]=4 1213 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [1,0,0,0,0,0|2,0,1]=4 1214 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [1,0,0,0,0,0|2,0,1]=4 1215 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,0,0,0,0,0|1,0,2]=4 1216 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,0,0,0,0,0|1,0,2]=4 1217 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [1,0,0,0,0,0|2,0,1]=4 1218 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [1,0,0,0,0,0|2,0,1]=4 1219 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [1,0,0,0,0,0|2,0,1]=4 1220 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [1,0,0,0,0,0|2,0,1]=4 1221 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,0,0,0,0,0|1,0,2]=4 1222 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,0,0,0,0,0|2,0,1]=4 1223 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,0,0,0,0,0|2,0,1]=4 1224 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,0,0,0,0,0|2,0,1]=4 1225 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,0,0,0,0,0|2,0,1]=4 1226 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,0,0,0,0,0|1,0,2]=4 1227 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,0,0,0,0,0|1,0,2]=4 1228 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [1,0,0,0,0,0|2,0,1]=4 1229 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [1,0,0,0,0,0|2,0,1]=4 1230 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [1,0,0,0,0,0|2,0,1]=4 1231 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [1,0,0,0,0,0|2,0,1]=4 1232 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [1,0,0,0,0,0|2,0,1]=4 1233 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [1,0,0,0,0,0|2,0,1]=4 1234 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [1,0,0,0,0,0|2,0,1]=4 1235 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,0,0,0,0,0|1,0,2]=4 1236 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,0,0,0,0,0|1,0,2]=4 1237 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [1,0,0,0,0,0|2,0,1]=4 1238 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [1,0,0,0,0,0|2,0,1]=4 1239 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [1,0,0,0,0,0|2,0,1]=4 1240 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [1,0,0,0,0,0|2,0,1]=4 1241 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [1,0,0,0,0,0|2,0,1]=4 1242 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,0,0,0,0,0|2,0,1]=4 1243 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,0,0,0,0,0|2,0,1]=4 1244 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,0,0,0,0,0|2,0,1]=4 1245 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [1,0,0,0,0,0|2,0,1]=4 1246 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,0,0,0,0,0|2,0,1]=4 1247 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 1248 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,0,0,0,0,0|2,0,1]=4 1249 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 1250 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,0,0,0,0,0|1,0,2]=4 1251 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,0,0,0,0,0|1,0,2]=4 1252 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,0,0,0,0,0|2,0,1]=4 1253 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,0,0,0,0,0|2,0,1]=4 1254 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 1255 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,0,0,0,0,0|2,0,0]=3 1256 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,0,0,0,0,0|2,0,0]=3 1257 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 1258 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,0,0,0,0,0|2,0,0]=3 1259 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,0,0,0,0,0|2,0,0]=3 1260 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 1261 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,0,0,0,0,0|2,0,0]=3 1262 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,0,0,0,0,0|2,0,0]=3 1263 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,0,0,0,0,0|2,0,0]=3 1264 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,0,0,0,0,0|2,0,0]=3 1265 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,0,0,0,0,0|2,0,0]=3 1266 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,0,0,0,0,0|2,0,0]=3 1267 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,0,0,0,0|2,0,0]=3 1268 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,0,0,0,0|2,0,0]=3 1269 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,0,0,0,0|2,0,0]=3 1270 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,0,0,0,0,0|3,0,0]=4 1271 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,0,0,0,0,0|3,0,0]=4 1272 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,0,0,0,0,0|2,0,0]=3 1273 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,0,0,0,0,0|2,0,0]=3 1274 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,0,0,0,0,0|3,0,0]=4 1275 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,0,0,0,0,0|3,0,0]=4 1276 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,0,0,0,0,0|3,0,0]=4 1277 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,0,0,0,0,0|3,0,0]=4 1278 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,0,0,0,0,0|3,0,0]=4 1279 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,0,0,0,0,0|1,0,2]=4 1280 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,0,0,0,0,0|1,0,2]=4 1281 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,0,0,0,0,0|3,0,0]=4 1282 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,0,0,0,0,0|2,0,0]=3 1283 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,0,0,0,0,0|2,0,0]=3 1284 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,0,0,0,0,0|2,0,0]=3 1285 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,0,0,0,0,0|3,0,0]=4 1286 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,0,0,0,0,0|3,0,0]=4 1287 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,0,0,0,0,0|3,0,0]=4 1288 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,0,0,0,0,0|3,0,0]=4 1289 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,0,0,0,0,0|3,0,0]=4 1290 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,0,0,0,0,0|3,0,0]=4 1291 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,0,0,0,0,0|1,0,2]=4 1292 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,0,0,0,0,0|1,0,2]=4 1293 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,0,0,0,0,0|2,0,0]=3 1294 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1295 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1296 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,0,0,0,0,0|3,0,0]=4 1297 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,0,0,0,0,0|3,0,0]=4 1298 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1299 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,0,0,0,0,0|3,0,0]=4 1300 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1301 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1302 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,0,0,0,0,0|3,0,0]=4 1303 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,0,0,0,0,0|2,0,0]=3 1304 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,0,0,0,0,0|2,0,0]=3 1305 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,0,0,0,0,0|3,0,0]=4 1306 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,0,0,0,0,0|3,0,0]=4 1307 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,0,0,0,0,0|3,0,0]=4 1308 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,0,0,0,0,0|3,0,0]=4 1309 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,0,0,0,0,0|3,0,0]=4 1310 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,0,0,0,0,0|2,0,0]=3 1311 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,0,0,0,0,0|2,0,0]=3 1312 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,0,0,0,0,0|2,0,0]=3 1313 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,0,0,0,0,0|2,0,0]=3 1314 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,0,0,0,0,0|3,0,0]=4 1315 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,0,0,0,0,0|3,0,0]=4 1316 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,0,0,0,0,0|3,0,0]=4 1317 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,0,0,0,0,0|3,0,0]=4 1318 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,0,0,0,0,0|3,0,0]=4 1319 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,0,0,0,0,0|3,0,0]=4 1320 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,0,0,0,0,0|3,0,0]=4 1321 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,0,0,0,0,0|3,0,0]=4 1322 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,0,0,0,0,0|3,0,0]=4 1323 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,0,0,0,0,0|3,0,0]=4 1324 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 1325 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 1326 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,0,0,0,0,0|3,0,0]=4 1327 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,0,0,0,0,0|3,0,0]=4 1328 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,0,0,0,0,0|2,0,0]=3 1329 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,0,0,0,0,0|2,0,0]=3 1330 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,0,0,0,0,0|3,0,0]=4 1331 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,0,0,0,0,0|3,0,0]=4 1332 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,0,0,0,0,0|3,0,0]=4 1333 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,0,0,0,0,0|3,0,0]=4 1334 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,0,0,0,0,0|3,0,0]=4 1335 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,0,0,0,0,0|3,0,0]=4 1336 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,0,0,0,0,0|3,0,0]=4 1337 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,0,0,0,0,0|3,0,0]=4 1338 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [1,0,0,0,0,0|3,0,0]=4 1339 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [1,0,0,0,0,0|3,0,0]=4 1340 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,0,0,0,0,0|1,0,2]=4 1341 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,0,0,0,0,0|2,0,0]=3 1342 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,0,0,0,0,0|2,0,0]=3 1343 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,0,0,0,0,0|2,0,0]=3 1344 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1345 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1346 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,0,0,0,0,0|3,0,0]=4 1347 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1348 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,0,0,0,0,0|3,0,0]=4 1349 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1350 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 1351 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,0,0,0,0,0|3,0,0]=4 1352 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,0,0,0,0,0|3,0,0]=4 1353 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,0,0,0,0,0|3,0,0]=4 1354 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [1,0,0,0,0,0|3,0,0]=4 1355 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [1,0,0,0,0,0|3,0,0]=4 1356 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [1,0,0,0,0,0|3,0,0]=4 1357 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [1,0,0,0,0,0|3,0,0]=4 1358 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [1,0,0,0,0,0|3,0,0]=4 1359 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [1,0,0,0,0,0|3,0,0]=4 1360 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [1,0,0,0,0,0|3,0,0]=4 1361 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,0,0,0,0,0|1,0,2]=4 1362 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,0,0,0,0,0|3,0,0]=4 1363 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,0,0,0,0,0|2,0,0]=3 1364 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,0,0,0,0,0|2,0,0]=3 1365 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,0,0,0,0,0|2,0,0]=3 1366 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,0,0,0,0,0|2,0,0]=3 1367 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1368 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1369 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,0,0,0,0,0|3,0,0]=4 1370 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,0,0,0,0,0|3,0,0]=4 1371 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,0,0,0,0,0|3,0,0]=4 1372 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,0,0,0,0,0|3,0,0]=4 1373 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,0,0,0,0,0|3,0,0]=4 1374 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,0,0,0,0,0|3,0,0]=4 1375 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,0,0,0,0,0|3,0,0]=4 1376 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,0,0,0,0,0|3,0,0]=4 1377 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,0,0,0,0,0|3,0,0]=4 1378 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,0,0,0,0,0|3,0,0]=4 1379 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 1380 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,0,0,0,0,0|3,0,0]=4 1381 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 1382 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,0,0,0,0,0|3,0,0]=4 1383 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [1,0,0,0,0,0|3,0,0]=4 1384 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [1,0,0,0,0,0|3,0,0]=4 1385 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [1,0,0,0,0,0|3,0,0]=4 1386 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [1,0,0,0,0,0|3,0,0]=4 1387 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [1,0,0,0,0,0|3,0,0]=4 1388 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [1,0,0,0,0,0|3,0,0]=4 1389 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [1,0,0,0,0,0|3,0,0]=4 1390 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [1,0,0,0,0,0|3,0,0]=4 1391 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,0,0,0,0,0|1,0,2]=4 1392 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,0,0,0,0,0|1,0,2]=4 1393 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,0,0,0,0,0|2,0,0]=3 1394 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,0,0,0,0,0|2,0,0]=3 1395 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,0,0,0,0,0|3,0,0]=4 1396 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,0,0,0,0,0|3,0,0]=4 1397 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,0,0,0,0,0|3,0,0]=4 1398 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,0,0,0,0,0|3,0,0]=4 1399 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,0,0,0,0,0|3,0,0]=4 1400 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,0,0,0,0,0|3,0,0]=4 1401 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [1,0,0,0,0,0|3,0,0]=4 1402 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [1,0,0,0,0,0|3,0,0]=4 1403 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [1,0,0,0,0,0|3,0,0]=4 1404 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [1,0,0,0,0,0|3,0,0]=4 1405 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,0,0,0,0,0|1,0,2]=4 1406 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,0,0,0,0,0|2,0,0]=3 1407 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,0,0,0,0,0|2,0,0]=3 1408 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,0,0,0,0,0|2,0,0]=3 1409 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,0,0,0,0,0|3,0,0]=4 1410 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,0,0,0,0,0|3,0,0]=4 1411 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,0,0,0,0,0|3,0,0]=4 1412 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,0,0,0,0,0|3,0,0]=4 1413 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,0,0,0,0,0|3,0,0]=4 1414 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,0,0,0,0,0|3,0,0]=4 1415 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,0,0,0,0,0|3,0,0]=4 1416 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,0,0,0,0,0|3,0,0]=4 1417 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [1,0,0,0,0,0|3,0,0]=4 1418 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [1,0,0,0,0,0|3,0,0]=4 1419 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [1,0,0,0,0,0|3,0,0]=4 1420 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [1,0,0,0,0,0|3,0,0]=4 1421 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [1,0,0,0,0,0|3,0,0]=4 1422 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [1,0,0,0,0,0|3,0,0]=4 1423 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [1,0,0,0,0,0|3,0,0]=4 1424 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [1,0,0,0,0,0|3,0,0]=4 1425 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [1,0,0,0,0,0|3,0,0]=4 1426 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [1,0,0,0,0,0|3,0,0]=4 1427 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [1,0,0,0,0,0|3,0,0]=4 1428 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,0,0,0,0,0|1,0,2]=4 1429 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,0,0,0,0,0|3,0,0]=4 1430 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,0,0,0,0,0|3,0,0]=4 1431 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,0,0,0,0|2,0,0]=3 1432 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,0,0,0,0|2,0,0]=3 1433 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,0,0,0,0|2,0,0]=3 1434 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,0,0,0,0|2,0,0]=3 1435 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1436 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1437 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,0,0,0,0,0|3,0,0]=4 1438 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,0,0,0,0,0|3,0,0]=4 1439 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,0,0,0,0,0|3,0,0]=4 1440 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,0,0,0,0,0|3,0,0]=4 1441 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,0,0,0,0,0|3,0,0]=4 1442 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,0,0,0,0,0|3,0,0]=4 1443 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,0,0,0,0,0|3,0,0]=4 1444 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,0,0,0,0,0|3,0,0]=4 1445 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,0,0,0,0,0|3,0,0]=4 1446 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,0,0,0,0,0|3,0,0]=4 1447 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 1448 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,0,0,0,0,0|3,0,0]=4 1449 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [1,0,0,0,0,0|3,0,0]=4 1450 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [1,0,0,0,0,0|3,0,0]=4 1451 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [1,0,0,0,0,0|3,0,0]=4 1452 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [1,0,0,0,0,0|3,0,0]=4 1453 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [1,0,0,0,0,0|3,0,0]=4 1454 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [1,0,0,0,0,0|3,0,0]=4 1455 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [1,0,0,0,0,0|3,0,0]=4 1456 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [1,0,0,0,0,0|3,0,0]=4 1457 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [1,0,0,0,0,0|3,0,0]=4 1458 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [1,0,0,0,0,0|3,0,0]=4 1459 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [1,0,0,0,0,0|3,0,0]=4 1460 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [1,0,0,0,0,0|3,0,0]=4 1461 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [1,0,0,0,0,0|3,0,0]=4 1462 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,0,0,0,0,0|1,0,2]=4 1463 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,0,0,0,0,0|1,0,2]=4 1464 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,0,0,0,0,0|2,0,0]=3 1465 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,0,0,0,0,0|2,0,0]=3 1466 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,0,0,0,0,0|3,0,0]=4 1467 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,0,0,0,0,0|3,0,0]=4 1468 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,0,0,0,0,0|3,0,0]=4 1469 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,0,0,0,0,0|3,0,0]=4 1470 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,0,0,0,0,0|3,0,0]=4 1471 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,0,0,0,0,0|3,0,0]=4 1472 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [1,0,0,0,0,0|3,0,0]=4 1473 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [1,0,0,0,0,0|3,0,0]=4 1474 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [1,0,0,0,0,0|3,0,0]=4 1475 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [1,0,0,0,0,0|3,0,0]=4 1476 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [1,0,0,0,0,0|3,0,0]=4 1477 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [1,0,0,0,0,0|3,0,0]=4 1478 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,0,0,0,0,0|1,0,2]=4 1479 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,0,0,0,0,0|2,0,0]=3 1480 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,0,0,0,0,0|2,0,0]=3 1481 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,0,0,0,0,0|3,0,0]=4 1482 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1483 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,0,0,0,0,0|3,0,0]=4 1484 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1485 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1486 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,0,0,0,0,0|3,0,0]=4 1487 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,0,0,0,0,0|3,0,0]=4 1488 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,0,0,0,0,0|3,0,0]=4 1489 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,0,0,0,0,0|3,0,0]=4 1490 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,0,0,0,0,0|3,0,0]=4 1491 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,0,0,0,0,0|3,0,0]=4 1492 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,0,0,0,0,0|3,0,0]=4 1493 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,0,0,0,0,0|2,0,0]=3 1494 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,0,0,0,0,0|2,0,0]=3 1495 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,0,0,0,0,0|2,0,0]=3 1496 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1497 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1498 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,0,0,0,0,0|3,0,0]=4 1499 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,0,0,0,0,0|3,0,0]=4 1500 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,0,0,0,0,0|3,0,0]=4 1501 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,0,0,0,0,0|3,0,0]=4 1502 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,0,0,0,0,0|3,0,0]=4 1503 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,0,0,0,0,0|3,0,0]=4 1504 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1505 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,0,0,0,0,0|3,0,0]=4 1506 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1507 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,0,0,0,0,0|3,0,0]=4 1508 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,0,0,0,0,0|3,0,0]=4 1509 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,0,0,0,0,0|1,0,2]=4 1510 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,0,0,0,0,0|1,0,2]=4 1511 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,0,0,0,0,0|2,0,0]=3 1512 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,0,0,0,0,0|2,0,0]=3 1513 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,0,0,0,0,0|3,0,0]=4 1514 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,0,0,0,0,0|3,0,0]=4 1515 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,0,0,0,0,0|3,0,0]=4 1516 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,0,0,0,0,0|3,0,0]=4 1517 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,0,0,0,0,0|3,0,0]=4 1518 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,0,0,0,0,0|3,0,0]=4 1519 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,0,0,0,0|2,0,0]=3 1520 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,0,0,0,0|2,0,0]=3 1521 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,0,0,0,0|2,0,0]=3 1522 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,0,0,0,0,0|3,0,0]=4 1523 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,0,0,0,0,0|3,0,0]=4 1524 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,0,0,0,0,0|3,0,0]=4 1525 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,0,0,0,0,0|3,0,0]=4 1526 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,0,0,0,0,0|3,0,0]=4 1527 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,0,0,0,0,0|3,0,0]=4 1528 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,0,0,0,0,0|3,0,0]=4 1529 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,0,0,0,0,0|3,0,0]=4 1530 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,0,0,0,0|2,0,0]=3 1531 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,0,0,0,0|2,0,0]=3 1532 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,0,0,0,0|2,0,0]=3 1533 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,0,0,0,0,0|3,0,0]=4 1534 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,0,0,0,0,0|3,0,0]=4 1535 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,0,0,0,0,0|3,0,0]=4 1536 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1537 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,0,0,0,0,0|3,0,0]=4 1538 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,0,0,0,0,0|3,0,0]=4 1539 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,0,0,0,0,0|3,0,0]=4 1540 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,0,0,0,0,0|3,0,0]=4 1541 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,0,0,0,0,0|3,0,0]=4 1542 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,0,0,0,0,0|3,0,0]=4 1543 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,0,0,0,0,0|3,0,0]=4 1544 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,0,0,0,0,0|3,0,0]=4 1545 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,0,0,0,0|2,0,0]=3 1546 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,0,0,0,0|2,0,0]=3 1547 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,0,0,0,0,0|3,0,0]=4 1548 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,0,0,0,0,0|3,0,0]=4 1549 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,0,0,0,0,0|3,0,0]=4 1550 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,0,0,0,0,0|3,0,0]=4 1551 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,0,0,0,0,0|2,0,0]=3 1552 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,0,0,0,0,0|2,0,0]=3 1553 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [1,0,0,0,0,0|3,0,0]=4 1554 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [1,0,0,0,0,0|3,0,0]=4 1555 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [1,0,0,0,0,0|3,0,0]=4 1556 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [1,0,0,0,0,0|3,0,0]=4 1557 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [1,0,0,0,0,0|3,0,0]=4 1558 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [1,0,0,0,0,0|3,0,0]=4 1559 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [1,0,0,0,0,0|3,0,0]=4 1560 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [1,0,0,0,0,0|3,0,0]=4 1561 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,0,0,0,0,0|2,0,0]=3 1562 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,0,0,0,0,0|2,0,0]=3 1563 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [1,0,0,0,0,0|3,0,0]=4 1564 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [1,0,0,0,0,0|3,0,0]=4 1565 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [1,0,0,0,0,0|3,0,0]=4 1566 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [1,0,0,0,0,0|3,0,0]=4 1567 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [1,0,0,0,0,0|3,0,0]=4 1568 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [1,0,0,0,0,0|3,0,0]=4 1569 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [1,0,0,0,0,0|3,0,0]=4 1570 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [1,0,0,0,0,0|3,0,0]=4 1571 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [1,0,0,0,0,0|3,0,0]=4 1572 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [1,0,0,0,0,0|3,0,0]=4 1573 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,0,0,0,0,0|2,0,0]=3 1574 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [1,0,0,0,0,0|3,0,0]=4 1575 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [1,0,0,0,0,0|3,0,0]=4 1576 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [1,0,0,0,0,0|3,0,0]=4 1577 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [1,0,0,0,0,0|3,0,0]=4 1578 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [1,0,0,0,0,0|3,0,0]=4 1579 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [1,0,0,0,0,0|3,0,0]=4 1580 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [1,0,0,0,0,0|3,0,0]=4 1581 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [1,0,0,0,0,0|3,0,0]=4 1582 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [1,0,0,0,0,0|3,0,0]=4 1583 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,0,0,0,0,0|2,0,0]=3 1584 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,0,0,0,0,0|2,0,0]=3 1585 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,0,0,0,0,0|2,0,0]=3 1586 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [1,0,0,0,0,0|3,0,0]=4 1587 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [1,0,0,0,0,0|3,0,0]=4 1588 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [1,0,0,0,0,0|3,0,0]=4 1589 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [1,0,0,0,0,0|3,0,0]=4 1590 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [1,0,0,0,0,0|3,0,0]=4 1591 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [1,0,0,0,0,0|3,0,0]=4 1592 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [1,0,0,0,0,0|3,0,0]=4 1593 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [1,0,0,0,0,0|3,0,0]=4 1594 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [1,0,0,0,0,0|3,0,0]=4 1595 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [1,0,0,0,0,0|3,0,0]=4 1596 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [1,0,0,0,0,0|3,0,0]=4 1597 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [1,0,0,0,0,0|3,0,0]=4 1598 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [1,0,0,0,0,0|3,0,0]=4 1599 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [1,0,0,0,0,0|3,0,0]=4 1600 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [1,0,0,0,0,0|3,0,0]=4 1601 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [1,0,0,0,0,0|3,0,0]=4 1602 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [1,0,0,0,0,0|3,0,0]=4 1603 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [1,0,0,0,0,0|3,0,0]=4 1604 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [1,0,0,0,0,0|3,0,0]=4 1605 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [1,0,0,0,0,0|3,0,0]=4 1606 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [1,0,0,0,0,0|3,0,0]=4 1607 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [1,0,0,0,0,0|3,0,0]=4 1608 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [1,0,0,0,0,0|3,0,0]=4 1609 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [1,0,0,0,0,0|3,0,0]=4 1610 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,0,0,0,0,0|2,0,0]=3 1611 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,0,0,0,0,0|2,0,0]=3 1612 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [1,0,0,0,0,0|3,0,0]=4 1613 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [1,0,0,0,0,0|3,0,0]=4 1614 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [1,0,0,0,0,0|3,0,0]=4 1615 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [1,0,0,0,0,0|3,0,0]=4 1616 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [1,0,0,0,0,0|3,0,0]=4 1617 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [1,0,0,0,0,0|3,0,0]=4 1618 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [1,0,0,0,0,0|3,0,0]=4 1619 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [1,0,0,0,0,0|3,0,0]=4 1620 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [1,0,0,0,0,0|3,0,0]=4 1621 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [1,0,0,0,0,0|3,0,0]=4 1622 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [1,0,0,0,0,0|3,0,0]=4 1623 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [1,0,0,0,0,0|3,0,0]=4 1624 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [1,0,0,0,0,0|1,0,2]=4 1625 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [1,0,0,0,0,0|1,0,2]=4 1626 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [1,0,0,0,0,0|1,0,2]=4 1627 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,0,0,0,0,0|1,0,2]=4 1628 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,0,0,0,0,0|1,0,2]=4 1629 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,0,0,0,0,0|1,0,2]=4 1630 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [1,0,0,0,0,0|1,0,2]=4 1631 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [1,0,0,0,0,0|1,0,2]=4 1632 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [1,0,0,0,0,0|1,0,2]=4 1633 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [1,0,0,0,0,0|1,0,2]=4 1634 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,0,0,0,0,0|2,0,1]=4 1635 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,0,0,0,0,0|2,0,1]=4 1636 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 1637 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 1638 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,0,0,0,0,0|1,0,2]=4 1639 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,0,0,0,0,0|1,0,2]=4 1640 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,0,0,0,0,0|2,0,1]=4 1641 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,0,0,0,0,0|2,0,1]=4 1642 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [1,0,0,0,0,0|0,0,3]=4 1643 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [1,0,0,0,0,0|1,0,2]=4 1644 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [1,0,0,0,0,0|1,0,2]=4 1645 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [1,0,0,0,0,0|1,0,2]=4 1646 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [1,0,0,0,0,0|1,0,2]=4 1647 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [1,0,0,0,0,0|1,0,2]=4 1648 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,0,0,0,0,0|0,0,3]=4 1649 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,0,0,0,0,0|0,0,3]=4 1650 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,0,0,0,0,0|0,0,3]=4 1651 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,0,0,0,0,0|0,0,3]=4 1652 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,0,0,0,0,0|1,0,2]=4 1653 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,0,0,0,0,0|1,0,2]=4 1654 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [1,0,0,0,0,0|0,0,3]=4 1655 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [1,0,0,0,0,0|0,0,3]=4 1656 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [1,0,0,0,0,0|0,0,3]=4 1657 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [1,0,0,0,0,0|0,0,3]=4 1658 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,0,0,0,0,0|1,0,2]=4 1659 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,0,0,0,0,0|1,0,2]=4 1660 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,0,0,0,0,0|1,0,2]=4 1661 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,0,0,0,0,0|1,0,2]=4 1662 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,0,0,0,0,0|0,0,3]=4 1663 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,0,0,0,0,0|0,0,3]=4 1664 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,0,0,0,0,0|0,0,3]=4 1665 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,0,0,0,0,0|0,0,3]=4 1666 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,0,0,0,0,0|1,0,2]=4 1667 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,0,0,0,0,0|1,0,2]=4 1668 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,0,0,0,0,0|1,0,2]=4 1669 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,0,0,0,0,0|1,0,2]=4 1670 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [1,0,0,0,0,0|0,0,3]=4 1671 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [1,0,0,0,0,0|0,0,3]=4 1672 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [1,0,0,0,0,0|0,0,3]=4 1673 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [1,0,0,0,0,0|0,0,3]=4 1674 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [1,0,0,0,0,0|0,0,3]=4 1675 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [1,0,0,0,0,0|0,0,3]=4 1676 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [1,0,0,0,0,0|0,0,3]=4 1677 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [1,0,0,0,0,0|0,0,3]=4 1678 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,0,0,0,0|1,0,1]=3 1679 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,0,0,0,0|1,0,1]=3 1680 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,0,0,0,0|1,0,1]=3 1681 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,0,0,0,0|1,0,1]=3 1682 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,0,0,0,0|1,0,1]=3 1683 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,0,0,0,0|1,0,1]=3 1684 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,0,0,0,0|1,0,1]=3 1685 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,0,0,0,0|0,0,1]=2 1686 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,0,0,0,0|0,0,1]=2 1687 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,0,0,0,0|0,0,1]=2 1688 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,0,0,0,0|0,0,1]=2 1689 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,0,0,0,0|0,0,1]=2 1690 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,0,0,0,0|0,1,1]=3 1691 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,0,0,0,0|0,1,1]=3 1692 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,0,0,0,0,0|2,0,1]=4 1693 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,0,0,0,0,0|2,0,1]=4 1694 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,0,0,0,0,0|2,0,1]=4 1695 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,0,0,0,0,0|2,0,1]=4 1696 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,0,0,0,0|1,0,1]=3 1697 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,0,0,0,0|1,0,1]=3 1698 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,0,0,0,0|1,0,1]=3 1699 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,0,0,0,0,0|1,0,1]=3 1700 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,0,0,0,0,0|1,0,1]=3 1701 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,0,0,0,0,0|1,1,1]=4 1702 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,0,0,0,0,0|1,1,1]=4 1703 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [1,0,0,0,0,0|2,0,1]=4 1704 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,0,0,0,0|1,0,0]=2 1705 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,0,0,0,0|1,0,0]=2 1706 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,0,0,0,0|2,0,1]=4 1707 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,0,0,0,0|2,0,1]=4 1708 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,0,0,0,0,0|2,0,1]=4 1709 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,0,0,0,0,0|2,0,1]=4 1710 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,0,0,0,0,0|2,0,1]=4 1711 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,0,0,0,0|1,0,2]=4 1712 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,0,0,0,0|1,0,2]=4 1713 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,0,0,0,0|1,0,2]=4 1714 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,0,0,0,0|1,0,2]=4 1715 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,0,0,0,0,0|1,0,1]=3 1716 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,0,0,0,0,0|1,1,1]=4 1717 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,0,0,0,0,0|1,1,1]=4 1718 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,0,0,0,0,0|2,0,1]=4 1719 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,0,0,0,0|1,0,0]=2 1720 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,0,0,0,0|1,0,0]=2 1721 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,0,0,0,0,0|2,0,1]=4 1722 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,0,0,0,0|2,0,1]=4 1723 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,0,0,0,0|2,0,1]=4 1724 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,0,0,0,0|2,0,1]=4 1725 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,0,0,0,0,0|2,0,1]=4 1726 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,0,0,0,0,0|2,0,1]=4 1727 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,0,0,0,0,0|2,0,1]=4 1728 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,0,0,0,0|1,0,2]=4 1729 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,0,0,0,0|1,0,2]=4 1730 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,0,0,0,0|1,1,1]=4 1731 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [1,0,0,0,0,0|2,0,1]=4 1732 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [1,0,0,0,0,0|2,0,1]=4 1733 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,0,0,0,0|1,0,0]=2 1734 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,0,0,0,0|1,0,0]=2 1735 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,0,0,0,0|2,0,1]=4 1736 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,0,0,0,0|2,0,1]=4 1737 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,0,0,0,0,0|2,0,1]=4 1738 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,0,0,0,0,0|2,0,1]=4 1739 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,0,0,0,0|1,0,2]=4 1740 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,0,0,0,0|1,0,2]=4 1741 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,0,0,0,0,0|1,0,1]=3 1742 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,0,0,0,0,0|1,0,1]=3 1743 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,0,0,0,0,0|1,1,1]=4 1744 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,0,0,0,0,0|1,1,1]=4 1745 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [1,0,0,0,0,0|2,0,1]=4 1746 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,0,0,0,0,0|2,0,1]=4 1747 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,0,0,0,0,0|2,0,1]=4 1748 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,0,0,0,0,0|2,0,1]=4 1749 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,0,0,0,0,0|2,0,1]=4 1750 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,0,0,0,0,0|2,0,1]=4 1751 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,0,0,0,0,0|2,0,1]=4 1752 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,0,0,0,0,0|1,0,2]=4 1753 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,0,0,0,0,0|1,0,1]=3 1754 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,0,0,0,0,0|1,0,1]=3 1755 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,0,0,0,0,0|1,1,1]=4 1756 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,0,0,0,0,0|1,1,1]=4 1757 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [1,0,0,0,0,0|2,0,1]=4 1758 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,0,0,0,0,0|2,0,1]=4 1759 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 1760 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,0,0,0,0,0|2,0,1]=4 1761 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 1762 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,0,0,0,0,0|2,0,1]=4 1763 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,0,0,0,0,0|2,0,1]=4 1764 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,0,0,0,0,0|2,0,1]=4 1765 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,0,0,0,0,0|2,0,1]=4 1766 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,0,0,0,0,0|2,0,1]=4 1767 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,0,0,0,0,0|2,0,1]=4 1768 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,0,0,0,0,0|1,0,2]=4 1769 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,0,0,0,0,0|1,0,2]=4 1770 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,0,0,0,0,0|1,0,1]=3 1771 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,0,0,0,0,0|1,0,1]=3 1772 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,0,0,0,0,0|1,0,1]=3 1773 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,0,0,0,0,0|2,0,0]=3 1774 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,0,0,0,0,0|1,1,1]=4 1775 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,0,0,0,0,0|1,1,1]=4 1776 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,0,0,0,0,0|1,1,1]=4 1777 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,0,0,0,0,0|1,1,1]=4 1778 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [1,0,0,0,0,0|2,0,1]=4 1779 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [1,0,0,0,0,0|2,0,1]=4 1780 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,0,0,0,0,0|2,0,1]=4 1781 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,0,0,0,0,0|2,0,1]=4 1782 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,0,0,0,0,0|2,0,1]=4 1783 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,0,0,0,0,0|2,0,1]=4 1784 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,0,0,0,0,0|1,0,2]=4 1785 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,0,0,0,0,0|1,0,2]=4 1786 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,0,0,0,0,0|1,0,1]=3 1787 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,0,0,0,0,0|1,0,1]=3 1788 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,0,0,0,0,0|1,1,1]=4 1789 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,0,0,0,0,0|1,1,1]=4 1790 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,0,0,0,0,0|2,0,1]=4 1791 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,0,0,0,0,0|2,0,1]=4 1792 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [1,0,0,0,0,0|2,0,1]=4 1793 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,0,0,0,0|1,0,0]=2 1794 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,0,0,0,0,0|2,0,1]=4 1795 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,0,0,0,0,0|2,0,1]=4 1796 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,0,0,0,0,0|2,0,1]=4 1797 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,0,0,0,0,0|1,0,2]=4 1798 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,0,0,0,0,0|1,0,2]=4 1799 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,0,0,0,0,0|1,0,2]=4 1800 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,0,0,0,0,0|1,0,1]=3 1801 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,0,0,0,0,0|1,0,1]=3 1802 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,0,0,0,0,0|1,1,1]=4 1803 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,0,0,0,0,0|2,0,1]=4 1804 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,0,0,0,0,0|2,0,1]=4 1805 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,0,0,0,0,0|2,0,1]=4 1806 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,0,0,0,0,0|2,0,1]=4 1807 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|1,0,0]=2 1808 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,0,0,0,0,0|2,0,1]=4 1809 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 1810 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|2,0,1]=4 1811 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 1812 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|2,0,1]=4 1813 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 1814 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 1815 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 1816 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 1817 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 1818 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 1819 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,0,0,0,0,0|2,0,1]=4 1820 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,0,0,0,0,0|2,0,1]=4 1821 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,0,0,0,0,0|1,0,2]=4 1822 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,0,0,0,0,0|1,0,2]=4 1823 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,0,0,0,0,0|2,0,1]=4 1824 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,0,0,0,0,0|1,0,1]=3 1825 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,0,0,0,0,0|1,0,1]=3 1826 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,0,0,0,0,0|1,0,1]=3 1827 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,0,0,0,0,0|1,1,1]=4 1828 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,0,0,0,0,0|1,1,1]=4 1829 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 1830 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,0,0,0,0,0|2,0,1]=4 1831 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 1832 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 1833 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,0,0,0,0,0|2,0,1]=4 1834 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 1835 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,0,0,0,0,0|2,0,1]=4 1836 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,0,0,0,0,0|2,0,1]=4 1837 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [1,0,0,0,0,0|2,0,1]=4 1838 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [1,0,0,0,0,0|2,0,1]=4 1839 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,0,0,0,0|1,0,0]=2 1840 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,0,0,0,0|1,0,0]=2 1841 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,0,0,0,0,0|2,0,1]=4 1842 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,0,0,0,0,0|2,0,1]=4 1843 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,0,0,0,0,0|2,0,1]=4 1844 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,0,0,0,0,0|2,0,1]=4 1845 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,0,0,0,0,0|1,0,2]=4 1846 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,0,0,0,0,0|1,0,2]=4 1847 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,0,0,0,0,0|1,0,1]=3 1848 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,0,0,0,0,0|1,0,1]=3 1849 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,0,0,0,0,0|2,0,1]=4 1850 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,0,0,0,0,0|2,0,1]=4 1851 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [1,0,0,0,0,0|2,0,1]=4 1852 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,0,0,0,0|1,0,0]=2 1853 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,0,0,0,0,0|2,0,1]=4 1854 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,0,0,0,0,0|1,0,2]=4 1855 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,0,0,0,0,0|1,0,2]=4 1856 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,0,0,0,0,0|1,0,2]=4 1857 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,0,0,0,0,0|1,0,1]=3 1858 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,0,0,0,0,0|2,0,1]=4 1859 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,0,0,0,0,0|2,0,1]=4 1860 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,0,0,0,0,0|2,0,1]=4 1861 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,0,0,0,0,0|2,0,0]=3 1862 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [1,0,0,0,0,0|2,0,1]=4 1863 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [1,0,0,0,0,0|2,0,1]=4 1864 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,0,0,0,0|1,0,0]=2 1865 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,0,0,0,0,0|2,0,1]=4 1866 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,0,0,0,0,0|2,0,1]=4 1867 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,0,0,0,0,0|2,0,1]=4 1868 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,0,0,0,0,0|2,0,1]=4 1869 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 1870 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 1871 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,0,0,0,0,0|2,0,1]=4 1872 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,0,0,0,0,0|2,0,1]=4 1873 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,0,0,0,0,0|2,0,1]=4 1874 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,0,0,0,0,0|1,0,2]=4 1875 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,0,0,0,0,0|1,0,2]=4 1876 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,0,0,0,0,0|1,0,1]=3 1877 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,0,0,0,0,0|1,0,1]=3 1878 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,0,0,0,0,0|1,0,1]=3 1879 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,0,0,0,0,0|1,1,1]=4 1880 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,0,0,0,0,0|1,1,1]=4 1881 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 1882 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,0,0,0,0,0|2,0,1]=4 1883 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 1884 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,0,0,0,0,0|2,0,1]=4 1885 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,0,0,0,0,0|2,0,0]=3 1886 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,0,0,0,0,0|2,0,0]=3 1887 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [1,0,0,0,0,0|2,0,1]=4 1888 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [1,0,0,0,0,0|2,0,1]=4 1889 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,0,0,0,0|1,0,0]=2 1890 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,0,0,0,0|1,0,0]=2 1891 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,0,0,0,0,0|2,0,1]=4 1892 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,0,0,0,0,0|2,0,1]=4 1893 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,0,0,0,0,0|1,0,2]=4 1894 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,0,0,0,0,0|1,0,2]=4 1895 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,0,0,0,0,0|1,0,1]=3 1896 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,0,0,0,0,0|1,0,1]=3 1897 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,0,0,0,0,0|2,0,1]=4 1898 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,0,0,0,0,0|2,0,1]=4 1899 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [1,0,0,0,0,0|2,0,1]=4 1900 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [1,0,0,0,0,0|2,0,1]=4 1901 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1902 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [1,0,0,0,0,0|2,0,1]=4 1903 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,0,0,0,0|1,0,0]=2 1904 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,0,0,0,0|1,0,0]=2 1905 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1906 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,0,0,0,0,0|2,0,1]=4 1907 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,0,0,0,0,0|1,0,2]=4 1908 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,0,0,0,0,0|1,0,2]=4 1909 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,0,0,0,0,0|1,0,2]=4 1910 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,0,0,0,0,0|1,0,2]=4 1911 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,0,0,0,0,0|1,0,1]=3 1912 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,0,0,0,0,0|1,0,1]=3 1913 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,0,0,0,0,0|2,0,1]=4 1914 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,0,0,0,0,0|2,0,1]=4 1915 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [1,0,0,0,0,0|2,0,1]=4 1916 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [1,0,0,0,0,0|2,0,1]=4 1917 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [1,0,0,0,0,0|2,0,1]=4 1918 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [1,0,0,0,0,0|2,0,1]=4 1919 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,0,0,0,0,0|2,0,1]=4 1920 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,0,0,0,0|1,0,0]=2 1921 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,0,0,0,0,0|2,0,1]=4 1922 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,0,0,0,0,0|2,0,1]=4 1923 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,0,0,0,0,0|2,0,1]=4 1924 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,0,0,0,0,0|2,0,1]=4 1925 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,0,0,0,0,0|2,0,1]=4 1926 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,0,0,0,0,0|2,0,1]=4 1927 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,0,0,0,0,0|2,0,1]=4 1928 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,0,0,0,0,0|2,0,1]=4 1929 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,0,0,0,0,0|2,0,1]=4 1930 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,0,0,0,0,0|1,0,2]=4 1931 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,0,0,0,0,0|1,0,2]=4 1932 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,0,0,0,0,0|2,0,1]=4 1933 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,0,0,0,0,0|2,0,1]=4 1934 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,0,0,0,0,0|2,0,1]=4 1935 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,0,0,0,0,0|2,0,1]=4 1936 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,0,0,0,0,0|2,0,1]=4 1937 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,0,0,0,0,0|2,0,0]=3 1938 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,0,0,0,0,0|2,0,0]=3 1939 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [1,0,0,0,0,0|2,0,1]=4 1940 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,0,0,0,0,0|2,0,0]=3 1941 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,0,0,0,0,0|2,0,0]=3 1942 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [1,0,0,0,0,0|2,0,1]=4 1943 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [1,0,0,0,0,0|2,0,1]=4 1944 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [1,0,0,0,0,0|2,0,1]=4 1945 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [1,0,0,0,0,0|2,0,1]=4 1946 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [1,0,0,0,0,0|2,0,1]=4 1947 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [1,0,0,0,0,0|2,0,1]=4 1948 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [1,0,0,0,0,0|2,0,1]=4 1949 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [1,0,0,0,0,0|2,0,1]=4 1950 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [1,0,0,0,0,0|2,0,1]=4 1951 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [1,0,0,0,0,0|2,0,1]=4 1952 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [1,0,0,0,0,0|3,0,0]=4 1953 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [1,0,0,0,0,0|2,0,1]=4 1954 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [1,0,0,0,0,0|2,0,1]=4 1955 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [1,0,0,0,0,0|2,0,1]=4 1956 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [1,0,0,0,0,0|2,0,1]=4 1957 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [1,0,0,0,0,0|2,0,1]=4 1958 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [1,0,0,0,0,0|2,0,1]=4 1959 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,0,0,0,0,0|2,0,0]=3 1960 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,0,0,0,0,0|2,0,0]=3 1961 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [1,0,0,0,0,0|2,0,1]=4 1962 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [1,0,0,0,0,0|2,0,1]=4 1963 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [1,0,0,0,0,0|2,0,1]=4 1964 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [1,0,0,0,0,0|2,0,1]=4 1965 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,0,0,0,0|1,0,0]=2 1966 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,0,0,0,0|1,0,0]=2 1967 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,0,0,0,0,0|2,0,1]=4 1968 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,0,0,0,0,0|2,0,1]=4 1969 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,0,0,0,0,0|1,0,2]=4 1970 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,0,0,0,0,0|1,0,2]=4 1971 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [1,0,0,0,0,0|2,0,1]=4 1972 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [1,0,0,0,0,0|2,0,1]=4 1973 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [1,0,0,0,0,0|2,0,1]=4 1974 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [1,0,0,0,0,0|2,0,1]=4 1975 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [1,0,0,0,0,0|2,0,1]=4 1976 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,0,0,0,0,0|1,0,2]=4 1977 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,0,0,0,0,0|1,0,2]=4 1978 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [1,0,0,0,0,0|2,0,1]=4 1979 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [1,0,0,0,0,0|2,0,1]=4 1980 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,0,0,0,0,0|2,0,1]=4 1981 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,0,0,0,0,0|2,0,1]=4 1982 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,0,0,0,0,0|2,0,1]=4 1983 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,0,0,0,0,0|1,0,2]=4 1984 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,0,0,0,0,0|1,0,1]=3 1985 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,0,0,0,0,0|1,0,1]=3 1986 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,0,0,0,0,0|1,0,1]=3 1987 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [1,0,0,0,0,0|2,0,1]=4 1988 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [1,0,0,0,0,0|2,0,1]=4 1989 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [1,0,0,0,0,0|2,0,1]=4 1990 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,0,0,0,0,0|2,0,0]=3 1991 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [1,0,0,0,0,0|2,0,1]=4 1992 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [1,0,0,0,0,0|2,0,1]=4 1993 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [1,0,0,0,0,0|2,0,1]=4 1994 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,0,0,0,0,0|2,0,0]=3 1995 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [1,0,0,0,0,0|2,0,1]=4 1996 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [1,0,0,0,0,0|2,0,1]=4 1997 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [1,0,0,0,0,0|2,0,1]=4 1998 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,0,0,0,0,0|2,0,0]=3 1999 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,0,0,0,0,0|2,0,0]=3 2000 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [1,0,0,0,0,0|2,0,1]=4 2001 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [1,0,0,0,0,0|2,0,1]=4 2002 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [1,0,0,0,0,0|2,0,1]=4 2003 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [1,0,0,0,0,0|2,0,1]=4 2004 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,0,0,0,0,0|1,0,2]=4 2005 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,0,0,0,0,0|1,0,2]=4 2006 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,0,0,0,0,0|1,0,1]=3 2007 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,0,0,0,0,0|1,0,1]=3 2008 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [1,0,0,0,0,0|2,0,1]=4 2009 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [1,0,0,0,0,0|2,0,1]=4 2010 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,0,0,0,0,0|2,0,0]=3 2011 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [1,0,0,0,0,0|2,0,1]=4 2012 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,0,0,0,0,0|2,0,0]=3 2013 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [1,0,0,0,0,0|2,0,1]=4 2014 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [1,0,0,0,0,0|2,0,1]=4 2015 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,0,0,0,0,0|1,0,2]=4 2016 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,0,0,0,0,0|1,0,2]=4 2017 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,0,0,0,0,0|1,0,2]=4 2018 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,0,0,0,0,0|2,0,1]=4 2019 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,0,0,0,0,0|2,0,1]=4 2020 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,0,0,0,0,0|2,0,1]=4 2021 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,0,0,0,0,0|2,0,1]=4 2022 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,0,0,0,0,0|2,0,1]=4 2023 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,0,0,0,0,0|1,0,2]=4 2024 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,0,0,0,0,0|2,0,0]=3 2025 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,0,0,0,0,0|2,0,1]=4 2026 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,0,0,0,0,0|2,0,1]=4 2027 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,0,0,0,0,0|2,0,1]=4 2028 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,0,0,0,0,0|2,0,0]=3 2029 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,0,0,0,0,0|2,0,1]=4 2030 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,0,0,0,0,0|2,0,1]=4 2031 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,0,0,0,0,0|2,0,1]=4 2032 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,0,0,0,0,0|2,0,1]=4 2033 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,0,0,0,0,0|2,0,1]=4 2034 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,0,0,0,0,0|2,0,0]=3 2035 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,0,0,0,0,0|2,0,0]=3 2036 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,0,0,0,0,0|2,0,1]=4 2037 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,0,0,0,0,0|2,0,1]=4 2038 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,0,0,0,0,0|2,0,0]=3 2039 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,0,0,0,0,0|2,0,1]=4 2040 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,0,0,0,0,0|2,0,1]=4 2041 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,0,0,0,0,0|2,0,0]=3 2042 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,0,0,0,0,0|2,0,1]=4 2043 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,0,0,0,0,0|2,0,1]=4 2044 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,0,0,0,0,0|2,0,1]=4 2045 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [1,0,0,0,0,0|3,0,0]=4 2046 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [1,0,0,0,0,0|3,0,0]=4 2047 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,0,0,0,0,0|3,0,0]=4 2048 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,0,0,0,0,0|3,0,0]=4 2049 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [1,0,0,0,0,0|3,0,0]=4 2050 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [1,0,0,0,0,0|3,0,0]=4 2051 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,0,0,0,0,0|2,0,0]=3 2052 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,0,0,0,0,0|2,0,0]=3 2053 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,0,0,0,0,0|2,0,1]=4 2054 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,0,0,0,0,0|2,0,1]=4 2055 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,0,0,0,0,0|2,0,0]=3 2056 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,0,0,0,0,0|2,0,0]=3 2057 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,0,0,0,0,0|1,0,2]=4 2058 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,0,0,0,0,0|1,0,2]=4 2059 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,0,0,0,0,0|2,0,0]=3 2060 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [1,0,0,0,0,0|2,0,1]=4 2061 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [1,0,0,0,0,0|2,0,1]=4 2062 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,0,0,0,0,0|2,0,0]=3 2063 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [1,0,0,0,0,0|2,0,1]=4 2064 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,0,0,0,0,0|2,0,0]=3 2065 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [1,0,0,0,0,0|2,0,1]=4 2066 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [1,0,0,0,0,0|2,0,1]=4 2067 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [1,0,0,0,0,0|2,0,1]=4 2068 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,0,0,0,0,0|2,0,0]=3 2069 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,0,0,0,0,0|2,0,0]=3 2070 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [1,0,0,0,0,0|2,0,1]=4 2071 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [1,0,0,0,0,0|2,0,1]=4 2072 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,0,0,0,0,0|1,0,2]=4 2073 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,0,0,0,0,0|1,0,2]=4 2074 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,0,0,0,0,0|1,0,2]=4 2075 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,0,0,0,0,0|1,0,2]=4 2076 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,0,0,0,0,0|1,0,2]=4 2077 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [1,0,0,0,0,0|2,0,1]=4 2078 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [1,0,0,0,0,0|2,0,1]=4 2079 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,0,0,0,0,0|1,0,1]=3 2080 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,0,0,0,0,0|1,0,1]=3 2081 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,0,0,0,0,0|1,0,1]=3 2082 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,0,0,0,0,0|1,0,1]=3 2083 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,0,0,0,0,0|1,0,1]=3 2084 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,0,0,0,0,0|1,0,1]=3 2085 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [1,0,0,0,0,0|2,0,1]=4 2086 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,0,0,0,0,0|2,0,1]=4 2087 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,0,0,0,0,0|2,0,1]=4 2088 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,0,0,0,0|2,0,0]=3 2089 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,0,0,0,0|2,0,0]=3 2090 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,0,0,0,0,0|2,0,1]=4 2091 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,0,0,0,0,0|2,0,1]=4 2092 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,0,0,0,0,0|2,0,1]=4 2093 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,0,0,0,0,0|2,0,1]=4 2094 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 2095 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 2096 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [1,0,0,0,0,0|2,0,1]=4 2097 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,0,0,0,0|2,0,0]=3 2098 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,0,0,0,0|2,0,0]=3 2099 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [1,0,0,0,0,0|2,0,1]=4 2100 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [1,0,0,0,0,0|2,0,1]=4 2101 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,0,0,0,0,0|2,0,1]=4 2102 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,0,0,0,0,0|2,0,1]=4 2103 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [1,0,0,0,0,0|2,0,1]=4 2104 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [1,0,0,0,0,0|2,0,1]=4 2105 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [1,0,0,0,0,0|2,0,1]=4 2106 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [1,0,0,0,0,0|2,0,1]=4 2107 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [1,0,0,0,0,0|2,0,1]=4 2108 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [1,0,0,0,0,0|2,0,1]=4 2109 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 2110 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 2111 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [1,0,0,0,0,0|2,0,1]=4 2112 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [1,0,0,0,0,0|2,0,1]=4 2113 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [1,0,0,0,0,0|2,0,1]=4 2114 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [1,0,0,0,0,0|2,0,1]=4 2115 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,0,0,0,0,0|2,0,1]=4 2116 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,0,0,0,0,0|2,0,1]=4 2117 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [1,0,0,0,0,0|2,0,1]=4 2118 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [1,0,0,0,0,0|2,0,1]=4 2119 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [1,0,0,0,0,0|2,0,1]=4 2120 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [1,0,0,0,0,0|2,0,1]=4 2121 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [1,0,0,0,0,0|2,0,1]=4 2122 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [1,0,0,0,0,0|2,0,1]=4 2123 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [1,0,0,0,0,0|2,0,1]=4 2124 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [1,0,0,0,0,0|2,0,1]=4 2125 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [1,0,0,0,0,0|2,0,1]=4 2126 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [1,0,0,0,0,0|2,0,1]=4 2127 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,0,0,0,0,0|2,0,1]=4 2128 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [1,0,0,0,0,0|2,0,1]=4 2129 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [1,0,0,0,0,0|2,0,1]=4 2130 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [1,0,0,0,0,0|2,0,1]=4 2131 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [1,0,0,0,0,0|2,0,1]=4 2132 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,0,0,0,0,0|2,0,0]=3 2133 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,0,0,0,0,0|2,0,0]=3 2134 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [1,0,0,0,0,0|2,0,1]=4 2135 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [1,0,0,0,0,0|2,0,1]=4 2136 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,0,0,0,0,0|2,0,1]=4 2137 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,0,0,0,0,0|2,0,1]=4 2138 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [1,0,0,0,0,0|2,0,1]=4 2139 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [1,0,0,0,0,0|2,0,1]=4 2140 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [1,0,0,0,0,0|2,0,1]=4 2141 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 2142 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 2143 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,0,0,0,0,0|2,0,1]=4 2144 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,0,0,0,0,0|2,0,1]=4 2145 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,0,0,0,0,0|2,0,1]=4 2146 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,0,0,0,0,0|2,0,1]=4 2147 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,0,0,0,0,0|2,0,1]=4 2148 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,0,0,0,0,0|2,0,1]=4 2149 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,0,0,0,0,0|2,0,1]=4 2150 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,0,0,0,0,0|2,0,1]=4 2151 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 2152 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,0,0,0,0,0|2,0,1]=4 2153 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [1,0,0,0,0,0|2,0,1]=4 2154 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [1,0,0,0,0,0|2,0,1]=4 2155 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,0,0,0,0,0|2,0,0]=3 2156 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,0,0,0,0,0|2,0,0]=3 2157 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [1,0,0,0,0,0|2,0,1]=4 2158 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [1,0,0,0,0,0|2,0,1]=4 2159 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,0,0,0,0,0|2,0,1]=4 2160 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,0,0,0,0,0|2,0,1]=4 2161 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,0,0,0,0,0|2,0,0]=3 2162 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [1,0,0,0,0,0|2,0,1]=4 2163 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,0,0,0,0,0|2,0,1]=4 2164 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 2165 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 2166 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [1,0,0,0,0,0|2,0,1]=4 2167 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [1,0,0,0,0,0|2,0,1]=4 2168 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [1,0,0,0,0,0|2,0,1]=4 2169 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [1,0,0,0,0,0|2,0,1]=4 2170 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [1,0,0,0,0,0|2,0,1]=4 2171 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [1,0,0,0,0,0|2,0,1]=4 2172 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [1,0,0,0,0,0|2,0,1]=4 2173 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 2174 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,0,0,0,0,0|2,0,1]=4 2175 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [1,0,0,0,0,0|3,0,0]=4 2176 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [1,0,0,0,0,0|3,0,0]=4 2177 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [1,0,0,0,0,0|3,0,0]=4 2178 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [1,0,0,0,0,0|3,0,0]=4 2179 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [1,0,0,0,0,0|3,0,0]=4 2180 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [1,0,0,0,0,0|3,0,0]=4 2181 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,0,0,0,0,0|2,0,0]=3 2182 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,0,0,0,0,0|2,0,0]=3 2183 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [1,0,0,0,0,0|2,0,1]=4 2184 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [1,0,0,0,0,0|2,0,1]=4 2185 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,0,0,0,0,0|2,0,1]=4 2186 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,0,0,0,0,0|2,0,1]=4 2187 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,0,0,0,0,0|2,0,1]=4 2188 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,0,0,0,0,0|2,0,1]=4 2189 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,0,0,0,0,0|2,0,1]=4 2190 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,0,0,0,0|1,0,2]=4 2191 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,0,0,0,0|1,0,2]=4 2192 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,0,0,0,0,0|2,0,0]=3 2193 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,0,0,0,0,0|2,0,0]=3 2194 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,0,0,0,0|2,0,0]=3 2195 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,0,0,0,0,0|2,0,0]=3 2196 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,0,0,0,0,0|2,0,0]=3 2197 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,0,0,0,0,0|2,0,0]=3 2198 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,0,0,0,0,0|2,0,0]=3 2199 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,0,0,0,0,0|2,0,1]=4 2200 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,0,0,0,0,0|2,0,1]=4 2201 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 2202 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 2203 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,0,0,0,0,0|2,0,1]=4 2204 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,0,0,0,0,0|2,0,1]=4 2205 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,0,0,0,0,0|2,0,1]=4 2206 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,0,0,0,0,0|2,0,1]=4 2207 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,0,0,0,0,0|2,0,1]=4 2208 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,0,0,0,0,0|2,0,1]=4 2209 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,0,0,0,0,0|2,0,1]=4 2210 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,0,0,0,0,0|2,0,1]=4 2211 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,0,0,0,0,0|2,0,1]=4 2212 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 2213 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 2214 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [1,0,0,0,0,0|3,0,0]=4 2215 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [1,0,0,0,0,0|3,0,0]=4 2216 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,0,0,0,0,0|2,0,0]=3 2217 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,0,0,0,0,0|2,0,0]=3 2218 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,0,0,0,0,0|2,0,0]=3 2219 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,0,0,0,0,0|2,0,0]=3 2220 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,0,0,0,0,0|2,0,0]=3 2221 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,0,0,0,0,0|2,0,0]=3 2222 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 2223 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,0,0,0,0,0|2,0,0]=3 2224 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,0,0,0,0,0|2,0,1]=4 2225 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,0,0,0,0,0|2,0,1]=4 2226 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,0,0,0,0,0|2,0,0]=3 2227 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,0,0,0,0,0|2,0,0]=3 2228 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,0,0,0,0,0|2,0,0]=3 2229 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 2230 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,0,0,0,0,0|2,0,0]=3 2231 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [1,0,0,0,0,0|3,0,0]=4 2232 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [1,0,0,0,0,0|3,0,0]=4 2233 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,0,0,0,0,0|2,0,0]=3 2234 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 2235 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,0,0,0,0,0|2,0,0]=3 2236 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [1,0,0,0,0,0|3,0,0]=4 2237 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 2238 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [1,0,0,0,0,0|3,0,0]=4 2239 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [1,0,0,0,0,0|3,0,0]=4 2240 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,0,0,0,0,0|2,0,0]=3 2241 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,0,0,0,0,0|2,0,0]=3 2242 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 2243 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,0,0,0,0,0|2,0,0]=3 2244 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 2245 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [1,0,0,0,0,0|3,0,0]=4 2246 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,0,0,0,0|2,0,0]=3 2247 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 2248 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [1,0,0,0,0,0|3,0,0]=4 2249 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 2250 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,0,0,0,0|2,0,0]=3 2251 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 2252 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 2253 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,0,0,0,0|2,0,0]=3 2254 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,0,0,0,0,0|1,0,2]=4 2255 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,0,0,0,0,0|1,0,2]=4 2256 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,0,0,0,0,0|1,0,1]=3 2257 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,0,0,0,0,0|1,0,1]=3 2258 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,0,0,0,0,0|1,0,1]=3 2259 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,0,0,0,0,0|1,0,1]=3 2260 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,0,0,0,0,0|1,0,1]=3 2261 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,0,0,0,0|1,0,2]=4 2262 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,0,0,0,0|1,0,2]=4 2263 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,1,0,0,0,0|3,0,0]=4 2264 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,1,0,0,0,0|2,0,1]=4 2265 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,1,0,0,0,0|2,0,1]=4 2266 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,1,0,0,0,0|3,0,0]=4 2267 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,1,0,0,0,0|3,0,0]=4 2268 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,1,0,0,0,0|2,0,1]=4 2269 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,1,0,0,0,0|2,0,1]=4 2270 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,1,0,0,0,0|3,0,0]=4 2271 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,1,0,0,0,0|3,0,0]=4 2272 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,1,0,0,0,0|3,0,0]=4 2273 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,1,0,0,0,0|3,0,0]=4 2274 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,1,0,0,0,0|3,0,0]=4 2275 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,1,0,0,0,0|3,0,0]=4 2276 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,1,0,0,0,0|3,0,0]=4 2277 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,1,0,0,0,0|3,0,0]=4 2278 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,1,0,0,0,0|3,0,0]=4 2279 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,1,0,0,0,0|3,0,0]=4 2280 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,1,0,0,0,0|3,0,0]=4 2281 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,1,0,0,0,0|3,0,0]=4 2282 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,1,0,0,0,0|3,0,0]=4 2283 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,1,0,0,0,0|3,0,0]=4 2284 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,1,0,0,0,0|3,0,0]=4 2285 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,1,0,0,0,0|3,0,0]=4 2286 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,1,0,0,0,0|3,0,0]=4 2287 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,1,0,0,0,0|3,0,0]=4 2288 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,1,0,0,0,0|3,0,0]=4 2289 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,1,0,0,0,0|3,0,0]=4 2290 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,1,0,0,0,0|3,0,0]=4 2291 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,1,0,0,0,0|3,0,0]=4 2292 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,1,0,0,0,0|3,0,0]=4 2293 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,1,0,0,0,0|3,0,0]=4 2294 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,1,0,0,0,0|3,0,0]=4 2295 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,1,0,0,0,0|3,0,0]=4 2296 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,1,0,0,0,0|2,0,1]=4 2297 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,1,0,0,0,0|2,0,1]=4 2298 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,1,0,0,0,0|2,0,1]=4 2299 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,1,0,0,0,0|2,0,1]=4 2300 B13R0.2 C=COCCCCOCC(=O)CCC 7a_100000031558_100000747444 [0,1,0,0,0,0|2,0,1]=4 2301 B13R0.2 C=COCCCCOCC(C)CCC 34a_100000031558_100011216630 [0,1,0,0,0,0|2,0,0]=3 2302 B13R0.2 C=COCCCCOCC(C)CCC 7a_100000031558_100011216630 [0,1,0,0,0,0|2,0,0]=3 2303 B13R0.2 C=COCCCCOCC(O)COC 34a_100000031558_100011215053 [0,1,0,0,0,0|3,0,0]=4 2304 B13R0.2 C=COCCCCOCC(O)COC 7a_100000031558_100011215053 [0,1,0,0,0,0|3,0,0]=4 2305 B13R0.2 C=COCCOCCCC(C)CCC 34a_100011713154_100000039644 [0,1,0,0,0,0|2,0,0]=3 2306 B13R0.2 C=COCCOCCCC(C)CCC 7a_100011713154_100000039644 [0,1,0,0,0,0|2,0,0]=3 2307 B13R0.2 C=COCCOCCOC(C)CCC 34a_100000039918_100000766640 [0,1,0,0,0,0|3,0,0]=4 2308 B13R0.2 C=COCCOCCOC(C)CCC 7a_100000039918_100000766640 [0,1,0,0,0,0|3,0,0]=4 2309 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,1,0,0,0,0|2,0,1]=4 2310 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,1,0,0,0,0|2,0,1]=4 2311 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,1,0,0,0,0|2,0,1]=4 2312 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,1,0,0,0,0|2,0,0]=3 2313 B13R0.2 CCCC(C)CCCOCCOCC 34a_100011713154_100000210147 [0,1,0,0,0,0|2,0,1]=4 2314 B13R0.2 CCCC(C)CCCOCCOCC 7a_100011713154_100011215890 [0,1,0,0,0,0|2,0,1]=4 2315 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,1,0,0,0,0|2,0,0]=3 2316 B13R0.2 CCCC(C)CCOCCCOCC 34a_100011217855_100012232248 [0,1,0,0,0,0|2,0,1]=4 2317 B13R0.2 CCCC(C)CCOCCCOCC 7a_100011217855_100012232248 [0,1,0,0,0,0|2,0,1]=4 2318 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,1,0,0,0,0|2,0,0]=3 2319 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,1,0,0,0,0|2,0,0]=3 2320 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,1,0,0,0,0|2,0,0]=3 2321 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,1,0,0,0,0|2,0,1]=4 2322 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,1,0,0,0,0|2,0,1]=4 2323 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,1,0,0,0,0|2,0,1]=4 2324 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,1,0,0,0,0|3,0,0]=4 2325 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,1,0,0,0,0|2,0,1]=4 2326 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,1,0,0,0,0|1,0,1]=3 2327 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,1,0,0,0,0|1,0,1]=3 2328 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,1,0,0,0,0|1,0,1]=3 2329 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,1,0,0,0,0|1,0,1]=3 2330 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,1,0,0,0,0|2,0,0]=3 2331 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,1,0,0,0,0|2,0,0]=3 2332 B13R0.2 CCC[C@H](N)CCOCCCOCC 34a_100015193777_100012232248 [0,1,0,0,0,0|2,0,1]=4 2333 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [0,1,0,0,0,0|3,0,0]=4 2334 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [0,1,0,0,0,0|3,0,0]=4 2335 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [0,1,0,0,0,0|3,0,0]=4 2336 B13R0.54 C#CCCCCCCOCOC(=O)C 34a_100011217361_100009813279 [0,1,0,0,0,0|1,0,2]=4 2337 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100000076356_100012276617 [0,1,0,0,0,0|1,0,2]=4 2338 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100012276617_100000076356 [0,1,0,0,0,0|1,0,2]=4 2339 B13R0.54 C#CCCCCCOCCOC(=O)C 34a_100000766912_100009814007 [0,1,0,0,0,0|1,0,2]=4 2340 B13R0.54 C#CCCCCCOCCOC(=O)C 7a_100000766912_100009814007 [0,1,0,0,0,0|1,0,2]=4 2341 B13R0.54 C#CCCCCCOCCOC(=O)N 34a_100000766912_200011214921 [0,1,0,0,0,0|1,0,2]=4 2342 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766696_100012094781 [0,1,0,0,0,0|1,0,2]=4 2343 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766912_200011214921 [0,1,0,0,0,0|1,0,2]=4 2344 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100009814007_100012094781 [0,1,0,0,0,0|1,0,2]=4 2345 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100012094781_100009814007 [0,1,0,0,0,0|1,0,2]=4 2346 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_100012094781_200011214921 [0,1,0,0,0,0|1,0,2]=4 2347 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_200011214921_100012094781 [0,1,0,0,0,0|1,0,2]=4 2348 B13R0.54 C#CCCCCNCCCOC(=O)C 34a_100000706060_100000042594 [0,1,0,0,0,0|1,0,2]=4 2349 B13R0.54 C#CCCCCOCCCOC(=O)C 34a_100000766709_100000042594 [0,1,0,0,0,0|1,0,2]=4 2350 B13R0.54 C#CCCCCOCCCOC(=O)C 7a_100000766709_100000042594 [0,1,0,0,0,0|1,0,2]=4 2351 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100000042594_100010269958 [0,1,0,0,0,0|1,0,2]=4 2352 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100010269958_100000042594 [0,1,0,0,0,0|1,0,2]=4 2353 B13R0.54 C#CCCCNCCCCOC(=O)C 34a_100000718082_100000033659 [0,1,0,0,0,0|1,0,2]=4 2354 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000073216_100000695029 [0,1,0,0,0,0|1,0,2]=4 2355 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000215630_100000033659 [0,1,0,0,0,0|1,0,2]=4 2356 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000073216_100011215417 [0,1,0,0,0,0|1,0,2]=4 2357 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000215630_100000033659 [0,1,0,0,0,0|1,0,2]=4 2358 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100000033659_100011215417 [0,1,0,0,0,0|1,0,2]=4 2359 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100011215417_100000033659 [0,1,0,0,0,0|1,0,2]=4 2360 B13R0.54 C#CCCNCCCCCOC(=O)C 34a_100000755551_100000033007 [0,1,0,0,0,0|1,0,2]=4 2361 B13R0.54 C#CCCOCCCCCOC(=O)C 34a_100011215631_100000033007 [0,1,0,0,0,0|1,0,2]=4 2362 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000033007_100000688953 [0,1,0,0,0,0|1,0,2]=4 2363 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000688953_100000033007 [0,1,0,0,0,0|1,0,2]=4 2364 B13R0.54 C/C=C/CCOCCCCCC(C)C 34a_100016278192_100000210682 [0,1,0,0,0,0|3,0,0]=4 2365 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,1,0,0,0,0|1,0,2]=4 2366 B13R0.54 C/C=C/CNCCCCCCC(C)C 34a_100000211014_100102629194 [0,1,0,0,0,0|3,0,0]=4 2367 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,1,0,0,0,0|1,0,2]=4 2368 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,1,0,0,0,0|1,0,2]=4 2369 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,1,0,0,0,0|1,0,2]=4 2370 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,1,0,0,0,0|3,0,0]=4 2371 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,1,0,0,0,0|3,0,0]=4 2372 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,1,0,0,0,0|3,0,0]=4 2373 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,1,0,0,0,0|3,0,0]=4 2374 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,1,0,0,0,0|3,0,0]=4 2375 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,1,0,0,0,0|3,0,0]=4 2376 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,1,0,0,0,0|3,0,0]=4 2377 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,1,0,0,0,0|3,0,0]=4 2378 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,1,0,0,0,0|3,0,0]=4 2379 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,1,0,0,0,0|3,0,0]=4 2380 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,1,0,0,0,0|3,0,0]=4 2381 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,1,0,0,0,0|3,0,0]=4 2382 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,1,0,0,0,0|3,0,0]=4 2383 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,1,0,0,0,0|3,0,0]=4 2384 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,1,0,0,0,0|3,0,0]=4 2385 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,1,0,0,0,0|3,0,0]=4 2386 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,1,0,0,0,0|3,0,0]=4 2387 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,1,0,0,0,0|1,0,2]=4 2388 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,1,0,0,0,0|3,0,0]=4 2389 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,1,0,0,0,0|3,0,0]=4 2390 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,1,0,0,0,0|3,0,0]=4 2391 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,1,0,0,0,0|3,0,0]=4 2392 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,1,0,0,0,0|3,0,0]=4 2393 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,1,0,0,0,0|3,0,0]=4 2394 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,1,0,0,0,0|3,0,0]=4 2395 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,1,0,0,0,0|3,0,0]=4 2396 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,1,0,0,0,0|3,0,0]=4 2397 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,1,0,0,0,0|3,0,0]=4 2398 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,1,0,0,0,0|3,0,0]=4 2399 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,1,0,0,0,0|3,0,0]=4 2400 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,1,0,0,0,0|3,0,0]=4 2401 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,1,0,0,0,0|3,0,0]=4 2402 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,1,0,0,0,0|3,0,0]=4 2403 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,1,0,0,0,0|3,0,0]=4 2404 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,1,0,0,0,0|3,0,0]=4 2405 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,1,0,0,0,0|3,0,0]=4 2406 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,1,0,0,0,0|3,0,0]=4 2407 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,1,0,0,0,0|3,0,0]=4 2408 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,1,0,0,0,0|3,0,0]=4 2409 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,1,0,0,0,0|3,0,0]=4 2410 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,1,0,0,0,0|3,0,0]=4 2411 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,1,0,0,0,0|3,0,0]=4 2412 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,1,0,0,0,0|3,0,0]=4 2413 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,1,0,0,0,0|3,0,0]=4 2414 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,1,0,0,0,0|3,0,0]=4 2415 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,1,0,0,0,0|3,0,0]=4 2416 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,1,0,0,0,0|3,0,0]=4 2417 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,1,0,0,0,0|3,0,0]=4 2418 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,1,0,0,0,0|3,0,0]=4 2419 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,1,0,0,0,0|3,0,0]=4 2420 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,1,0,0,0,0|3,0,0]=4 2421 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,1,0,0,0,0|3,0,0]=4 2422 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,1,0,0,0,0|3,0,0]=4 2423 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,1,0,0,0,0|3,0,0]=4 2424 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,1,0,0,0,0|3,0,0]=4 2425 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,1,0,0,0,0|1,0,2]=4 2426 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,1,0,0,0,0|3,0,0]=4 2427 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,1,0,0,0,0|3,0,0]=4 2428 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,1,0,0,0,0|3,0,0]=4 2429 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,1,0,0,0,0|3,0,0]=4 2430 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,1,0,0,0,0|1,0,2]=4 2431 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,1,0,0,0,0|1,0,2]=4 2432 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,1,0,0,0,0|3,0,0]=4 2433 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,1,0,0,0,0|3,0,0]=4 2434 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,1,0,0,0,0|3,0,0]=4 2435 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,1,0,0,0,0|3,0,0]=4 2436 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,1,0,0,0,0|3,0,0]=4 2437 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,1,0,0,0,0|3,0,0]=4 2438 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,1,0,0,0,0|3,0,0]=4 2439 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,1,0,0,0,0|3,0,0]=4 2440 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,1,0,0,0,0|1,0,2]=4 2441 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,1,0,0,0,0|1,0,2]=4 2442 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,1,0,0,0,0|1,0,2]=4 2443 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,1,0,0,0,0|1,0,2]=4 2444 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,1,0,0,0,0|1,0,2]=4 2445 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,1,0,0,0,0|3,0,0]=4 2446 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,1,0,0,0,0|3,0,0]=4 2447 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,1,0,0,0,0|3,0,0]=4 2448 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,1,0,0,0,0|3,0,0]=4 2449 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,1,0,0,0,0|1,0,2]=4 2450 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,1,0,0,0,0|1,0,2]=4 2451 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,1,0,0,0,0|1,0,2]=4 2452 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,1,0,0,0,0|1,0,2]=4 2453 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,1,0,0,0,0|3,0,0]=4 2454 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,1,0,0,0,0|3,0,0]=4 2455 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,1,0,0,0,0|1,0,2]=4 2456 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,1,0,0,0,0|3,0,0]=4 2457 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,1,0,0,0,0|3,0,0]=4 2458 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,1,0,0,0,0|3,0,0]=4 2459 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,1,0,0,0,0|3,0,0]=4 2460 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,1,0,0,0,0|1,0,2]=4 2461 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,1,0,0,0,0|1,0,2]=4 2462 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,1,0,0,0,0|3,0,0]=4 2463 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,1,0,0,0,0|3,0,0]=4 2464 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,1,0,0,0,0|1,0,2]=4 2465 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,1,0,0,0,0|1,0,2]=4 2466 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,1,0,0,0,0|3,0,0]=4 2467 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,1,0,0,0,0|3,0,0]=4 2468 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,1,0,0,0,0|3,0,0]=4 2469 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,1,0,0,0,0|3,0,0]=4 2470 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,1,0,0,0,0|1,0,2]=4 2471 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,1,0,0,0,0|3,0,0]=4 2472 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,1,0,0,0,0|3,0,0]=4 2473 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,1,0,0,0,0|3,0,0]=4 2474 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,1,0,0,0,0|3,0,0]=4 2475 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,1,0,0,0,0|1,0,2]=4 2476 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,1,0,0,0,0|1,0,2]=4 2477 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,1,0,0,0,0|1,0,2]=4 2478 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,1,0,0,0,0|1,0,2]=4 2479 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,1,0,0,0,0|3,0,0]=4 2480 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,1,0,0,0,0|3,0,0]=4 2481 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,1,0,0,0,0|1,0,2]=4 2482 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,1,0,0,0,0|1,0,2]=4 2483 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,1,0,0,0,0|3,0,0]=4 2484 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,1,0,0,0,0|3,0,0]=4 2485 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,1,0,0,0,0|1,0,2]=4 2486 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,1,0,0,0,0|1,0,2]=4 2487 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,1,0,0,0,0|1,0,2]=4 2488 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,1,0,0,0,0|1,0,2]=4 2489 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,1,0,0,0,0|3,0,0]=4 2490 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,1,0,0,0,0|3,0,0]=4 2491 B13R0.54 C=COCCCCOCCCC(=O)C 34a_100000031558_100000685027 [0,1,0,0,0,0|2,0,1]=4 2492 B13R0.54 C=COCCCCOCCCC(=O)C 7a_100000031558_100011215641 [0,1,0,0,0,0|2,0,1]=4 2493 B13R0.54 C=COCCCCOCCCC(C)C 34a_100000031558_100011214892 [0,1,0,0,0,0|2,0,0]=3 2494 B13R0.54 C=COCCCCOCCCC(C)C 7a_100000031558_100011214892 [0,1,0,0,0,0|2,0,0]=3 2495 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,1,0,0,0,0|2,0,0]=3 2496 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,1,0,0,0,0|2,0,0]=3 2497 B13R0.54 C=COCCCCOCCCN(C)C 7a_100000031558_100000757444 [0,1,0,0,0,0|3,0,0]=4 2498 B13R0.54 C=COCCCCOCCOC(C)C 34a_100000031558_100000211751 [0,1,0,0,0,0|3,0,0]=4 2499 B13R0.54 C=COCCCCOCCOC(C)C 7a_100000031558_100000211751 [0,1,0,0,0,0|3,0,0]=4 2500 B13R0.54 C=COCCCCOCCSC(C)C 34a_100000031558_100000730970 [0,1,0,0,0,0|3,0,0]=4 2501 B13R0.54 C=COCCCCOCCSC(C)C 7a_100000031558_100000730970 [0,1,0,0,0,0|3,0,0]=4 2502 B13R0.54 C=COCCCNCCCCC(=O)C 34a_100000210767_100009817362 [0,1,0,0,0,0|2,0,1]=4 2503 B13R0.54 C=COCCCNCCCCC(C)C 2230a_100000210767_100011216152 [0,1,0,0,0,0|2,0,0]=3 2504 B13R0.54 C=COCCCNCCCCC(C)C 34a_100000210767_100011216152 [0,1,0,0,0,0|2,0,0]=3 2505 B13R0.54 C=COCCNCCCCCC(C)C 2230a_100011290863_100000039644 [0,1,0,0,0,0|2,0,0]=3 2506 B13R0.54 C=COCCNCCCCCC(C)C 34a_100011290863_100000039644 [0,1,0,0,0,0|2,0,0]=3 2507 B13R0.54 C=COCCNCCCOCC(C)C 2230a_100000205972_100000039644 [0,1,0,0,0,0|3,0,0]=4 2508 B13R0.54 C=COCCNCCCOCC(C)C 34a_100000205972_100000039644 [0,1,0,0,0,0|3,0,0]=4 2509 B13R0.54 C=COCCOCCCCCC(C)C 34a_100000033082_100000210682 [0,1,0,0,0,0|2,0,0]=3 2510 B13R0.54 C=COCCOCCCCCC(C)C 34a_100011995859_100000039644 [0,1,0,0,0,0|2,0,0]=3 2511 B13R0.54 C=COCCOCCCCCC(C)C 7a_100011995859_100000039644 [0,1,0,0,0,0|2,0,0]=3 2512 B13R0.54 C=COCCOCCCCNC(C)C 34a_100011521146_100000039644 [0,1,0,0,0,0|3,0,0]=4 2513 B13R0.54 C=COCCOCCOCCC(C)C 34a_100000039918_100000210312 [0,1,0,0,0,0|3,0,0]=4 2514 B13R0.54 C=COCCOCCOCCC(C)C 7a_100000039918_100000210626 [0,1,0,0,0,0|3,0,0]=4 2515 B13R0.54 C=COCCOCCOCCC(C)O 34a_100000039918_100012276601 [0,1,0,0,0,0|3,0,0]=4 2516 B13R0.54 C=COCCOCCOCCC(C)O 7a_100000039918_100012276601 [0,1,0,0,0,0|3,0,0]=4 2517 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000039644_100000210682 [0,1,0,0,0,0|2,0,0]=3 2518 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000210682_100000039644 [0,1,0,0,0,0|2,0,0]=3 2519 B13R0.54 CC#CCCOCCCCOC(=O)C 34a_100000750427_100000033659 [0,1,0,0,0,0|1,0,2]=4 2520 B13R0.54 CC#CCNCCCCCOC(=O)C 2230a_100000685387_100009813381 [0,1,0,0,0,0|1,0,2]=4 2521 B13R0.54 CC#CCNCCCCCOC(=O)C 34a_100000685387_100000033007 [0,1,0,0,0,0|1,0,2]=4 2522 B13R0.54 CC#CCOCCCCCOC(=O)C 34a_100000761923_100000033007 [0,1,0,0,0,0|1,0,2]=4 2523 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000033007_100000748600 [0,1,0,0,0,0|1,0,2]=4 2524 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000748600_100000033007 [0,1,0,0,0,0|1,0,2]=4 2525 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,0,0,0,0|2,0,0]=3 2526 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,1,0,0,0,0|3,0,0]=4 2527 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,1,0,0,0,0|3,0,0]=4 2528 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,1,0,0,0,0|3,0,0]=4 2529 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,1,0,0,0,0|3,0,0]=4 2530 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,1,0,0,0,0|3,0,0]=4 2531 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,1,0,0,0,0|3,0,0]=4 2532 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,1,0,0,0,0|3,0,0]=4 2533 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,1,0,0,0,0|3,0,0]=4 2534 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,1,0,0,0,0|2,0,1]=4 2535 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,1,0,0,0,0|2,0,1]=4 2536 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,1,0,0,0,0|3,0,0]=4 2537 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,1,0,0,0,0|3,0,0]=4 2538 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,1,0,0,0,0|3,0,0]=4 2539 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,1,0,0,0,0|3,0,0]=4 2540 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,1,0,0,0,0|3,0,0]=4 2541 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,1,0,0,0,0|2,0,1]=4 2542 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,1,0,0,0,0|3,0,0]=4 2543 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,1,0,0,0,0|3,0,0]=4 2544 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,1,0,0,0,0|3,0,0]=4 2545 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,1,0,0,0,0|3,0,0]=4 2546 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,1,0,0,0,0|3,0,0]=4 2547 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,1,0,0,0,0|3,0,0]=4 2548 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,1,0,0,0,0|3,0,0]=4 2549 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,1,0,0,0,0|3,0,0]=4 2550 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,1,0,0,0,0|3,0,0]=4 2551 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,1,0,0,0,0|3,0,0]=4 2552 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,1,0,0,0,0|3,0,0]=4 2553 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,1,0,0,0,0|2,0,1]=4 2554 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,1,0,0,0,0|2,0,1]=4 2555 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,1,0,0,0,0|3,0,0]=4 2556 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,1,0,0,0,0|3,0,0]=4 2557 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,1,0,0,0,0|3,0,0]=4 2558 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,1,0,0,0,0|3,0,0]=4 2559 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,1,0,0,0,0|3,0,0]=4 2560 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,1,0,0,0,0|3,0,0]=4 2561 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,1,0,0,0,0|3,0,0]=4 2562 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,1,0,0,0,0|3,0,0]=4 2563 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,1,0,0,0,0|3,0,0]=4 2564 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,0,0,0,0|3,0,0]=4 2565 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,0,0,0,0|2,0,0]=3 2566 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 2567 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 2568 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 2569 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 2570 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 2571 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 2572 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 2573 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 2574 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 2575 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 2576 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,1,0,0,0,0|3,0,0]=4 2577 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,1,0,0,0,0|3,0,0]=4 2578 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,1,0,0,0,0|3,0,0]=4 2579 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,1,0,0,0,0|3,0,0]=4 2580 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,1,0,0,0,0|3,0,0]=4 2581 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,1,0,0,0,0|3,0,0]=4 2582 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,1,0,0,0,0|3,0,0]=4 2583 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,1,0,0,0,0|3,0,0]=4 2584 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,1,0,0,0,0|3,0,0]=4 2585 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,1,0,0,0,0|3,0,0]=4 2586 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 2587 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,1,0,0,0,0|3,0,0]=4 2588 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,1,0,0,0,0|3,0,0]=4 2589 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,1,0,0,0,0|3,0,0]=4 2590 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,1,0,0,0,0|3,0,0]=4 2591 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,1,0,0,0,0|3,0,0]=4 2592 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,1,0,0,0,0|3,0,0]=4 2593 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 2594 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,1,0,0,0,0|2,0,0]=3 2595 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,1,0,0,0,0|2,0,0]=3 2596 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,1,0,0,0,0|2,0,0]=3 2597 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,1,0,0,0,0|2,0,0]=3 2598 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,1,0,0,0,0|2,0,0]=3 2599 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,1,0,0,0,0|2,0,0]=3 2600 B13R0.54 CC(=O)OCCCCCOCCON 34a_100000700252_100000033007 [0,1,0,0,0,0|3,0,0]=4 2601 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100000033007_100011215226 [0,1,0,0,0,0|2,0,1]=4 2602 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100011215226_100000033007 [0,1,0,0,0,0|2,0,1]=4 2603 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,1,0,0,0,0|2,0,0]=3 2604 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,1,0,0,0,0|2,0,0]=3 2605 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,1,0,0,0,0|2,0,0]=3 2606 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,1,0,0,0,0|2,0,0]=3 2607 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,1,0,0,0,0|2,0,0]=3 2608 B13R0.54 CC(=O)OCCCCOCCCC#N 7a_100000073216_100000687738 [0,1,0,0,0,0|2,0,1]=4 2609 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,1,0,0,0,0|2,0,1]=4 2610 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,1,0,0,0,0|2,0,0]=3 2611 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,1,0,0,0,0|2,0,0]=3 2612 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,1,0,0,0,0|2,0,0]=3 2613 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,1,0,0,0,0|2,0,0]=3 2614 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,1,0,0,0,0|2,0,0]=3 2615 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,1,0,0,0,0|2,0,0]=3 2616 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,1,0,0,0,0|2,0,0]=3 2617 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,1,0,0,0,0|2,0,0]=3 2618 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,1,0,0,0,0|2,0,0]=3 2619 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,1,0,0,0,0|2,0,0]=3 2620 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,1,0,0,0,0|2,0,0]=3 2621 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000033659_100000687738 [0,1,0,0,0,0|2,0,1]=4 2622 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000687738_100000033659 [0,1,0,0,0,0|2,0,1]=4 2623 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,1,0,0,0,0|2,0,1]=4 2624 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,1,0,0,0,0|2,0,1]=4 2625 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,1,0,0,0,0|2,0,0]=3 2626 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,1,0,0,0,0|2,0,0]=3 2627 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,1,0,0,0,0|2,0,0]=3 2628 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,1,0,0,0,0|2,0,0]=3 2629 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,1,0,0,0,0|2,0,0]=3 2630 B13R0.54 CC(=O)OCCCNCCOCCO 34a_100000211614_100000042594 [0,1,0,0,0,0|3,0,0]=4 2631 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,1,0,0,0,0|2,0,0]=3 2632 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,1,0,0,0,0|2,0,0]=3 2633 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,1,0,0,0,0|2,0,0]=3 2634 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,1,0,0,0,0|2,0,0]=3 2635 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,1,0,0,0,0|2,0,0]=3 2636 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,1,0,0,0,0|2,0,0]=3 2637 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,1,0,0,0,0|2,0,0]=3 2638 B13R0.54 CC(=O)OCCCOCCOCCBr 34a_100000692535_100000042594 [0,1,0,0,0,0|3,0,0]=4 2639 B13R0.54 CC(=O)OCCCOCCOCCBr 7a_100000692535_100000042594 [0,1,0,0,0,0|3,0,0]=4 2640 B13R0.54 CC(=O)OCCCOCCOCCCl 34a_100011215305_100000042594 [0,1,0,0,0,0|3,0,0]=4 2641 B13R0.54 CC(=O)OCCCOCCOCCCl 7a_100011215305_100000042594 [0,1,0,0,0,0|3,0,0]=4 2642 B13R0.54 CC(=O)OCCCOCCOCCF 34a_200015357709_100000042594 [0,1,0,0,0,0|3,0,0]=4 2643 B13R0.54 CC(=O)OCCCOCCOCCF 7a_200015357709_100000042594 [0,1,0,0,0,0|3,0,0]=4 2644 B13R0.54 CC(=O)OCCCOCCOCCI 34a_100012149058_100000042594 [0,1,0,0,0,0|3,0,0]=4 2645 B13R0.54 CC(=O)OCCCOCCOCCI 7a_100012149058_100000042594 [0,1,0,0,0,0|3,0,0]=4 2646 B13R0.54 CC(=O)OCCCOCCOCCN 34a_100000211614_100000042594 [0,1,0,0,0,0|3,0,0]=4 2647 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100000042594_100000211819 [0,1,0,0,0,0|2,0,1]=4 2648 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100011219923_100000042594 [0,1,0,0,0,0|2,0,1]=4 2649 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,1,0,0,0,0|2,0,1]=4 2650 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,1,0,0,0,0|2,0,1]=4 2651 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,1,0,0,0,0|2,0,0]=3 2652 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,1,0,0,0,0|2,0,0]=3 2653 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,1,0,0,0,0|2,0,0]=3 2654 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,1,0,0,0,0|2,0,0]=3 2655 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100000042594_100011215305 [0,1,0,0,0,0|3,0,0]=4 2656 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100011215305_100000042594 [0,1,0,0,0,0|3,0,0]=4 2657 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,1,0,0,0,0|2,0,0]=3 2658 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,1,0,0,0,0|2,0,0]=3 2659 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,1,0,0,0,0|2,0,0]=3 2660 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,1,0,0,0,0|2,0,0]=3 2661 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,1,0,0,0,0|2,0,0]=3 2662 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,1,0,0,0,0|2,0,0]=3 2663 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,1,0,0,0,0|2,0,0]=3 2664 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,1,0,0,0,0|2,0,0]=3 2665 B13R0.54 CC(=O)OCCOCCNCCCF 2230a_100015189416_200000083610 [0,1,0,0,0,0|3,0,0]=4 2666 B13R0.54 CC(=O)OCCOCCNCCCF 34a_100015189416_200000083610 [0,1,0,0,0,0|3,0,0]=4 2667 B13R0.54 CC(=O)OCCOCCOCCCBr 34a_100011217188_200000083610 [0,1,0,0,0,0|3,0,0]=4 2668 B13R0.54 CC(=O)OCCOCCOCCCCl 34a_100000230001_200000083610 [0,1,0,0,0,0|3,0,0]=4 2669 B13R0.54 CC(=O)OCCOCCOCCCF 34a_100000759539_200000083610 [0,1,0,0,0,0|3,0,0]=4 2670 B13R0.54 CC(=O)OCCOCCOCCCN 34a_100000182051_200000083610 [0,1,0,0,0,0|3,0,0]=4 2671 B13R0.54 CC(=O)OCCOCCSCCCF 62a_100011934791_200000083610 [0,1,0,0,0,0|3,0,0]=4 2672 B13R0.54 CC(=O)OCCOCCSCCCF 62a_200000083610_100011934791 [0,1,0,0,0,0|3,0,0]=4 2673 B13R0.54 CC(=O)OCCOCCSCCCO 62a_100011215043_200000083610 [0,1,0,0,0,0|3,0,0]=4 2674 B13R0.54 CC(=O)OCCOCCSCCCO 62a_200000083610_100011215043 [0,1,0,0,0,0|3,0,0]=4 2675 B13R0.54 CC(=O)OCCOCNCCCCO 34a_100000750430_100000076355 [0,1,0,0,0,0|3,0,0]=4 2676 B13R0.54 CC(=O)OCCOCOCCCCBr 34a_100011216708_100000076355 [0,1,0,0,0,0|3,0,0]=4 2677 B13R0.54 CC(=O)OCCOCOCCCCCl 34a_100000210776_100000076355 [0,1,0,0,0,0|3,0,0]=4 2678 B13R0.54 CC(=O)OCCOCOCCCCF 34a_100011995726_100000076355 [0,1,0,0,0,0|3,0,0]=4 2679 B13R0.54 CC(=O)OCCOCOCCCCI 34a_200012148704_100000076355 [0,1,0,0,0,0|3,0,0]=4 2680 B13R0.54 CC(=O)OCCOCOCCCCN 34a_100000750430_100000076355 [0,1,0,0,0,0|3,0,0]=4 2681 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000076355_100000729493 [0,1,0,0,0,0|3,0,0]=4 2682 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000729493_100000076355 [0,1,0,0,0,0|3,0,0]=4 2683 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000076355_100000210776 [0,1,0,0,0,0|3,0,0]=4 2684 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000210776_100000076355 [0,1,0,0,0,0|3,0,0]=4 2685 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009813376_100009814007 [0,1,0,0,0,0|2,0,1]=4 2686 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009814007_100009813376 [0,1,0,0,0,0|2,0,1]=4 2687 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,1,0,0,0,0|2,0,1]=4 2688 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,1,0,0,0,0|2,0,1]=4 2689 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,1,0,0,0,0|2,0,0]=3 2690 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,1,0,0,0,0|2,0,0]=3 2691 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,1,0,0,0,0|2,0,0]=3 2692 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,1,0,0,0,0|2,0,0]=3 2693 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,1,0,0,0,0|2,0,0]=3 2694 B13R0.54 CC(=O)OCNCCCOCCCO 34a_100011310245_100009813279 [0,1,0,0,0,0|3,0,0]=4 2695 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,1,0,0,0,0|2,0,0]=3 2696 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,1,0,0,0,0|2,0,0]=3 2697 B13R0.54 CC(=O)OCOCCCOCCCN 34a_100011310245_100009813279 [0,1,0,0,0,0|3,0,0]=4 2698 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100000076356_100009813337 [0,1,0,0,0,0|2,0,1]=4 2699 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100009813337_100000076356 [0,1,0,0,0,0|2,0,1]=4 2700 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,1,0,0,0,0|2,0,0]=3 2701 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,1,0,0,0,0|2,0,0]=3 2702 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,1,0,0,0,0|2,1,0]=4 2703 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,1,0,0,0,0|2,1,0]=4 2704 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,1,0,0,0,0|2,1,0]=4 2705 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,1,0,0,0,0|2,1,0]=4 2706 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,1,0,0,0,0|2,1,0]=4 2707 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,1,0,0,0,0|2,1,0]=4 2708 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,1,0,0,0,0|2,1,0]=4 2709 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,1,0,0,0,0|2,1,0]=4 2710 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,1,0,0,0,0|2,1,0]=4 2711 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,1,0,0,0,0|2,1,0]=4 2712 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,1,0,0,0,0|2,1,0]=4 2713 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,1,0,0,0,0|2,1,0]=4 2714 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,1,0,0,0,0|2,1,0]=4 2715 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,1,0,0,0,0|2,1,0]=4 2716 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,1,0,0,0,0|2,1,0]=4 2717 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,1,0,0,0,0|2,1,0]=4 2718 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,1,0,0,0,0|2,1,0]=4 2719 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,1,0,0,0,0|2,1,0]=4 2720 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,1,0,0,0,0|2,1,0]=4 2721 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,1,0,0,0,0|2,1,0]=4 2722 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,1,0,0,0,0|2,1,0]=4 2723 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,1,0,0,0,0|2,1,0]=4 2724 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,1,0,0,0,0|2,1,0]=4 2725 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,1,0,0,0,0|2,1,0]=4 2726 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,1,0,0,0,0|2,1,0]=4 2727 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,1,0,0,0,0|2,1,0]=4 2728 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,1,0,0,0,0|2,1,0]=4 2729 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,1,0,0,0,0|2,1,0]=4 2730 B13R0.54 CC(=S)OCCCOCCCCCBr 34a_100000746331_200135323944 [0,1,0,0,0,0|2,1,0]=4 2731 B13R0.54 CC(=S)OCCCOCCCCCBr 7a_100000746331_200135323944 [0,1,0,0,0,0|2,1,0]=4 2732 B13R0.54 CC(=S)OCCCOCCCCCCl 34a_100000746330_200135323944 [0,1,0,0,0,0|2,1,0]=4 2733 B13R0.54 CC(=S)OCCCOCCCCCCl 7a_100000746330_200135323944 [0,1,0,0,0,0|2,1,0]=4 2734 B13R0.54 CC(=S)OCCCOCCCCCI 34a_200012148887_200135323944 [0,1,0,0,0,0|2,1,0]=4 2735 B13R0.54 CC(=S)OCCCOCCCCCI 7a_200012148887_200135323944 [0,1,0,0,0,0|2,1,0]=4 2736 B13R0.54 CC(=S)OCCCOCCCCCN 34a_100000762737_200135323944 [0,1,0,0,0,0|2,1,0]=4 2737 B13R0.54 CC(=S)OCCCSCCCCCF 62a_100000729378_200135323944 [0,1,0,0,0,0|2,1,0]=4 2738 B13R0.54 CC(=S)OCCCSCCCCCF 62a_200135323944_100000729378 [0,1,0,0,0,0|2,1,0]=4 2739 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,1,0,0,0,0|2,1,0]=4 2740 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,1,0,0,0,0|2,1,0]=4 2741 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,1,0,0,0,0|2,0,0]=3 2742 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,1,0,0,0,0|2,0,0]=3 2743 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,1,0,0,0,0|2,0,0]=3 2744 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,1,0,0,0,0|2,0,0]=3 2745 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,1,0,0,0,0|2,0,0]=3 2746 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,1,0,0,0,0|2,0,0]=3 2747 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,1,0,0,0,0|2,0,0]=3 2748 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,1,0,0,0,0|2,0,0]=3 2749 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,1,0,0,0,0|2,0,0]=3 2750 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,1,0,0,0,0|2,0,0]=3 2751 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,1,0,0,0,0|2,0,0]=3 2752 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,1,0,0,0,0|2,0,0]=3 2753 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,1,0,0,0,0|2,0,0]=3 2754 B13R0.54 CC(C)COCCCNCCCC=O 2230a_100000205972_200011292268 [0,1,0,0,0,0|3,0,0]=4 2755 B13R0.54 CC(C)COCCOCCCCC=O 7a_100000703358_100000139335 [0,1,0,0,0,0|3,0,0]=4 2756 B13R0.54 CC(C)CSCCOCCCCC=O 7a_200000230437_100000139335 [0,1,0,0,0,0|3,0,0]=4 2757 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,1,0,0,0,0|2,0,1]=4 2758 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,1,0,0,0,0|2,0,1]=4 2759 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,1,0,0,0,0|2,0,1]=4 2760 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,1,0,0,0,0|2,0,1]=4 2761 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,1,0,0,0,0|2,0,1]=4 2762 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,1,0,0,0,0|2,0,1]=4 2763 B13R0.54 CC(C)OCCCNCCCCC=O 2230a_100000737246_100000139335 [0,1,0,0,0,0|3,0,0]=4 2764 B13R0.54 CC(C)OCCNCCCCCC=O 2230a_100000701111_100000139337 [0,1,0,0,0,0|3,0,0]=4 2765 B13R0.54 CC(C)OCCOCCCCCC=O 7a_100000211219_100000139337 [0,1,0,0,0,0|3,0,0]=4 2766 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000139337_100000211751 [0,1,0,0,0,0|3,0,0]=4 2767 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000211751_100000139337 [0,1,0,0,0,0|3,0,0]=4 2768 B13R0.54 CC(C)SCCNCCCCCC=O 2230a_100000731138_100000139337 [0,1,0,0,0,0|3,0,0]=4 2769 B13R0.54 CC(C)SCCOCCCCCC=O 7a_200011212901_100000139337 [0,1,0,0,0,0|3,0,0]=4 2770 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000139337_100000730970 [0,1,0,0,0,0|3,0,0]=4 2771 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000730970_100000139337 [0,1,0,0,0,0|3,0,0]=4 2772 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,1,0,0,0,0|2,0,0]=3 2773 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,1,0,0,0,0|2,0,0]=3 2774 B13R0.54 CC/C=C/CCCOCCOC(=O)C 34a_100016287902_100009814007 [0,1,0,0,0,0|1,0,2]=4 2775 B13R0.54 CC/C=C/CCCOCCOC(=O)C 7a_100016287902_100009814007 [0,1,0,0,0,0|1,0,2]=4 2776 B13R0.54 CC/C=C/CCCOCCOC(=O)N 34a_100016287902_200011214921 [0,1,0,0,0,0|1,0,2]=4 2777 B13R0.54 CC/C=C/CCCOCCOC(=O)N 7a_100016287902_200011214921 [0,1,0,0,0,0|1,0,2]=4 2778 B13R0.54 CC/C=C\CCCCOCOC(=O)C 34a_100016287862_100009813279 [0,1,0,0,0,0|1,0,2]=4 2779 B13R0.54 CC/C=C\CCOCCCOC(=O)C 34a_100016288707_100000042594 [0,1,0,0,0,0|1,0,2]=4 2780 B13R0.54 CC/C=C\CCOCCCOC(=O)C 7a_100016288707_100000042594 [0,1,0,0,0,0|1,0,2]=4 2781 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100000042594_100015370543 [0,1,0,0,0,0|1,0,2]=4 2782 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100015370543_100000042594 [0,1,0,0,0,0|1,0,2]=4 2783 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100000073216_100103147603 [0,1,0,0,0,0|1,0,2]=4 2784 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100016268518_100000033659 [0,1,0,0,0,0|1,0,2]=4 2785 B13R0.54 CC/C=C\COCCCCOC(=O)C 7a_100000073216_100103147603 [0,1,0,0,0,0|1,0,2]=4 2786 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100000033659_100103147603 [0,1,0,0,0,0|1,0,2]=4 2787 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100103147603_100000033659 [0,1,0,0,0,0|1,0,2]=4 2788 B13R0.54 CC=CCCCOCCCCC(C)C 34a_100020645299_100011216152 [0,1,0,0,0,0|3,0,0]=4 2789 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,1,0,0,0,0|1,0,2]=4 2790 B13R0.54 CC=CCNCCCCCCC(C)C 2230a_100000211014_100000070051 [0,1,0,0,0,0|3,0,0]=4 2791 B13R0.54 CC=CCNCCCCCCC(C)C 34a_100000211014_100000070051 [0,1,0,0,0,0|3,0,0]=4 2792 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,1,0,0,0,0|1,0,2]=4 2793 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,1,0,0,0,0|1,0,2]=4 2794 B13R0.54 CCC#CCCOCCCOC(=O)C 34a_100000036655_100000042594 [0,1,0,0,0,0|1,0,2]=4 2795 B13R0.54 CCC#CCCOCCCOC(=O)C 7a_100000036655_100000042594 [0,1,0,0,0,0|1,0,2]=4 2796 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000032950_100000033659 [0,1,0,0,0,0|1,0,2]=4 2797 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000073216_100009813939 [0,1,0,0,0,0|1,0,2]=4 2798 B13R0.54 CCC#CCOCCCCOC(=O)C 7a_100000073216_100009813939 [0,1,0,0,0,0|1,0,2]=4 2799 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100000033659_100009813939 [0,1,0,0,0,0|1,0,2]=4 2800 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100009813939_100000033659 [0,1,0,0,0,0|1,0,2]=4 2801 B13R0.54 CCC/C=C/COCCCOC(=O)C 34a_100016278788_100000042594 [0,1,0,0,0,0|1,0,2]=4 2802 B13R0.54 CCC/C=C/COCCCOC(=O)C 7a_100016278788_100000042594 [0,1,0,0,0,0|1,0,2]=4 2803 B13R0.54 CCCC#CCCOCCOC(=O)C 34a_100000042726_100009814007 [0,1,0,0,0,0|1,0,2]=4 2804 B13R0.54 CCCC#CCCOCCOC(=O)C 7a_100000042726_100009814007 [0,1,0,0,0,0|1,0,2]=4 2805 B13R0.54 CCCC#CCCOCCOC(=O)N 34a_100000042726_200011214921 [0,1,0,0,0,0|1,0,2]=4 2806 B13R0.54 CCCC#CCCOCCOC(=O)N 7a_100000042726_200011214921 [0,1,0,0,0,0|1,0,2]=4 2807 B13R0.54 CCCC#CCOCCCOC(=O)C 34a_100000034806_100000042594 [0,1,0,0,0,0|1,0,2]=4 2808 B13R0.54 CCCC#CCOCCCOC(=O)C 7a_100000034806_100000042594 [0,1,0,0,0,0|1,0,2]=4 2809 B13R0.54 CCCC/C=C/COCCOC(=O)C 34a_200016272032_100009814007 [0,1,0,0,0,0|1,0,2]=4 2810 B13R0.54 CCCC/C=C/COCCOC(=O)C 7a_200016272032_100009814007 [0,1,0,0,0,0|1,0,2]=4 2811 B13R0.54 CCCC/C=C/COCCOC(=O)N 34a_200016272032_200011214921 [0,1,0,0,0,0|1,0,2]=4 2812 B13R0.54 CCCC/C=C/COCCOC(=O)N 7a_200016272032_200011214921 [0,1,0,0,0,0|1,0,2]=4 2813 B13R0.54 CCCC/C=C\CCOCOC(=O)C 34a_200016286491_100009813279 [0,1,0,0,0,0|1,0,2]=4 2814 B13R0.54 CCCCC#CCCOCOC(=O)C 34a_100000037610_100009813279 [0,1,0,0,0,0|1,0,2]=4 2815 B13R0.54 CCCCC#CCOCCOC(=O)C 34a_200000034558_100009814007 [0,1,0,0,0,0|1,0,2]=4 2816 B13R0.54 CCCCC#CCOCCOC(=O)C 7a_200000034558_100009814007 [0,1,0,0,0,0|1,0,2]=4 2817 B13R0.54 CCCCC#CCOCCOC(=O)N 34a_200000034558_200011214921 [0,1,0,0,0,0|1,0,2]=4 2818 B13R0.54 CCCCC#CCOCCOC(=O)N 7a_200000034558_200011214921 [0,1,0,0,0,0|1,0,2]=4 2819 B13R0.54 CCCCC/C=C/COCOC(=O)C 34a_100016258190_100009813279 [0,1,0,0,0,0|1,0,2]=4 2820 B13R0.54 CCCCCC#CCOCOC(=O)C 34a_200000033628_100009813279 [0,1,0,0,0,0|1,0,2]=4 2821 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100000076356_100009816472 [0,1,0,0,0,0|1,0,2]=4 2822 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100009816472_100000076356 [0,1,0,0,0,0|1,0,2]=4 2823 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,1,0,0,0,0|2,0,1]=4 2824 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,1,0,0,0,0|1,0,1]=3 2825 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,1,0,0,0,0|1,0,1]=3 2826 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,0,0,0,0|1,0,0]=2 2827 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,0,0,0,0|1,0,0]=2 2828 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,0,0,0,0|1,0,0]=2 2829 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,1,0,0,0,0|3,0,0]=4 2830 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,1,0,0,0,0|3,0,0]=4 2831 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 2832 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 2833 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 2834 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,0,0,0,0|1,0,0]=2 2835 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 2836 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 2837 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 2838 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 2839 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,1,0,0,0,0|1,0,1]=3 2840 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,1,0,0,0,0|1,0,1]=3 2841 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,1,0,0,0,0|1,0,1]=3 2842 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,0,0,0,0|2,0,0]=3 2843 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,0,0,0,0|2,0,0]=3 2844 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,0,0,0,0|2,0,0]=3 2845 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,0,0,0,0|2,0,0]=3 2846 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,0,0,0,0|2,0,0]=3 2847 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,1,0,0,0,0|3,0,0]=4 2848 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,0,0,0,0|2,0,0]=3 2849 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,0,0,0,0|2,0,0]=3 2850 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,0,0,0,0|2,0,0]=3 2851 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,0,0,0,0|2,0,0]=3 2852 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,1,0,0,0,0|3,0,0]=4 2853 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,0,0,0,0|2,0,0]=3 2854 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,0,0,0,0|2,0,0]=3 2855 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,1,0,0,0,0|3,0,0]=4 2856 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,1,0,0,0,0|3,0,0]=4 2857 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,1,0,0,0,0|3,0,0]=4 2858 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,0,0,0,0|2,0,0]=3 2859 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,0,0,0,0|2,0,0]=3 2860 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,1,0,0,0,0|1,0,0]=2 2861 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [0,1,0,0,0,0|2,0,1]=4 2862 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [0,1,0,0,0,0|2,0,1]=4 2863 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,0,0,0,0|3,0,0]=4 2864 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,1,0,0,0,0|3,0,0]=4 2865 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,1,0,0,0,0|3,0,0]=4 2866 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,1,0,0,0,0|3,0,0]=4 2867 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,0,0,0,0|2,0,0]=3 2868 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,0,0,0,0|2,0,0]=3 2869 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,0,0,0,0|2,0,0]=3 2870 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,0,0,0,0|2,0,0]=3 2871 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,0,0,0,0|2,0,0]=3 2872 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,0,0,0,0|2,0,0]=3 2873 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,0,0,0,0|2,0,0]=3 2874 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,1,0,0,0,0|1,0,0]=2 2875 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [0,1,0,0,0,0|2,0,1]=4 2876 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,0,0,0,0|2,0,0]=3 2877 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,0,0,0,0|2,0,0]=3 2878 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,0,0,0,0|2,0,0]=3 2879 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,0,0,0,0|2,0,0]=3 2880 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,1,0,0,0,0|1,0,0]=2 2881 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,1,0,0,0,0|1,0,0]=2 2882 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [0,1,0,0,0,0|2,0,1]=4 2883 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [0,1,0,0,0,0|2,0,1]=4 2884 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,1,0,0,0,0|3,0,0]=4 2885 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,1,0,0,0,0|3,0,0]=4 2886 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,0,0,0,0|2,0,0]=3 2887 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,1,0,0,0,0|3,0,0]=4 2888 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,1,0,0,0,0|2,0,0]=3 2889 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,1,0,0,0,0|2,0,0]=3 2890 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,1,0,0,0,0|2,0,0]=3 2891 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,1,0,0,0,0|2,0,0]=3 2892 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [0,1,0,0,0,0|2,0,1]=4 2893 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [0,1,0,0,0,0|2,0,1]=4 2894 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [0,1,0,0,0,0|2,0,1]=4 2895 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,1,0,0,0,0|3,0,0]=4 2896 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,1,0,0,0,0|3,0,0]=4 2897 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,1,0,0,0,0|3,0,0]=4 2898 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,1,0,0,0,0|3,0,0]=4 2899 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,0,0,0,0|2,0,0]=3 2900 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,0,0,0,0|2,0,0]=3 2901 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,0,0,0,0|2,0,0]=3 2902 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,0,0,0,0|2,0,0]=3 2903 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,0,0,0,0|2,0,0]=3 2904 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,0,0,0,0|2,0,0]=3 2905 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,1,0,0,0,0|3,0,0]=4 2906 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,1,0,0,0,0|2,0,0]=3 2907 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,1,0,0,0,0|2,0,0]=3 2908 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,1,0,0,0,0|2,0,0]=3 2909 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,1,0,0,0,0|2,0,0]=3 2910 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,1,0,0,0,0|1,0,0]=2 2911 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,1,0,0,0,0|1,0,0]=2 2912 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,1,0,0,0,0|1,0,0]=2 2913 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,1,0,0,0,0|1,0,0]=2 2914 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,1,0,0,0,0|1,0,0]=2 2915 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,1,0,0,0,0|2,0,1]=4 2916 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,1,0,0,0,0|2,0,1]=4 2917 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,1,0,0,0,0|2,0,1]=4 2918 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,1,0,0,0,0|2,0,1]=4 2919 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,1,0,0,0,0|3,0,0]=4 2920 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,1,0,0,0,0|3,0,0]=4 2921 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,0,0,0,0|2,0,0]=3 2922 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,0,0,0,0|2,0,0]=3 2923 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,0,0,0,0|2,0,0]=3 2924 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,0,0,0,0|2,0,0]=3 2925 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,1,0,0,0,0|2,0,0]=3 2926 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,1,0,0,0,0|2,0,0]=3 2927 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,1,0,0,0,0|2,0,0]=3 2928 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,1,0,0,0,0|2,0,0]=3 2929 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,1,0,0,0,0|1,0,0]=2 2930 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,1,0,0,0,0|1,0,0]=2 2931 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,1,0,0,0,0|1,0,0]=2 2932 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,1,0,0,0,0|1,0,0]=2 2933 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [0,1,0,0,0,0|2,0,1]=4 2934 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [0,1,0,0,0,0|2,0,1]=4 2935 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,0,0,0,0|2,0,0]=3 2936 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,1,0,0,0,0|2,0,0]=3 2937 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,1,0,0,0,0|1,1,0]=3 2938 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [0,1,0,0,0,0|2,0,1]=4 2939 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [0,1,0,0,0,0|2,0,1]=4 2940 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,1,0,0,0,0|1,1,0]=3 2941 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,1,0,0,0,0|3,0,0]=4 2942 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,0,0,0,0|3,0,0]=4 2943 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,0,0,0,0|2,0,0]=3 2944 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,0,0,0,0|2,0,0]=3 2945 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,0,0,0,0|2,0,0]=3 2946 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,0,0,0,0|2,0,0]=3 2947 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,1,0,0,0,0|3,0,0]=4 2948 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,1,0,0,0,0|3,0,0]=4 2949 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,1,0,0,0,0|2,0,0]=3 2950 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,1,0,0,0,0|1,0,0]=2 2951 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,1,0,0,0,0|1,0,0]=2 2952 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,1,0,0,0,0|1,1,0]=3 2953 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,1,0,0,0,0|1,1,0]=3 2954 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,1,0,0,0,0|1,1,0]=3 2955 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,1,0,0,0,0|1,1,0]=3 2956 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,1,0,0,0,0|3,0,0]=4 2957 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,1,0,0,0,0|3,0,0]=4 2958 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,1,0,0,0,0|3,0,0]=4 2959 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,1,0,0,0,0|3,0,0]=4 2960 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,1,0,0,0,0|3,0,0]=4 2961 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,0,0,0,0|2,0,0]=3 2962 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,0,0,0,0|2,0,0]=3 2963 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,1,0,0,0,0|1,0,0]=2 2964 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,1,0,0,0,0|1,0,0]=2 2965 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,1,0,0,0,0|1,1,0]=3 2966 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,1,0,0,0,0|1,1,0]=3 2967 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,1,0,0,0,0|1,1,0]=3 2968 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,1,0,0,0,0|1,1,0]=3 2969 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,1,0,0,0,0|3,0,0]=4 2970 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,1,0,0,0,0|3,0,0]=4 2971 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,0,0,0,0|2,0,0]=3 2972 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,1,0,0,0,0|2,0,0]=3 2973 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,1,0,0,0,0|2,0,0]=3 2974 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,1,0,0,0,0|1,1,0]=3 2975 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,1,0,0,0,0|3,0,0]=4 2976 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,1,0,0,0,0|2,0,0]=3 2977 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,0,0,0,0|2,0,0]=3 2978 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,0,0,0,0|2,0,0]=3 2979 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,0,0,0,0|2,0,0]=3 2980 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,0,0,0,0|2,0,0]=3 2981 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,0,0,0,0|2,0,0]=3 2982 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,1,0,0,0,0|1,0,0]=2 2983 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,1,0,0,0,0|1,0,0]=2 2984 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,1,0,0,0,0|1,0,0]=2 2985 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,1,0,0,0,0|1,0,0]=2 2986 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,1,0,0,0,0|2,0,0]=3 2987 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,1,0,0,0,0|2,0,0]=3 2988 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,1,0,0,0,0|1,1,0]=3 2989 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,1,0,0,0,0|1,1,0]=3 2990 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,1,0,0,0,0|3,0,0]=4 2991 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,1,0,0,0,0|3,0,0]=4 2992 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,1,0,0,0,0|3,0,0]=4 2993 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,1,0,0,0,0|2,0,0]=3 2994 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,1,0,0,0,0|2,0,0]=3 2995 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,0,0,0,0|2,0,0]=3 2996 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,0,0,0,0|2,0,0]=3 2997 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,1,0,0,0,0|1,0,0]=2 2998 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,1,0,0,0,0|1,0,0]=2 2999 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,1,0,0,0,0|2,0,0]=3 3000 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,1,0,0,0,0|1,1,0]=3 3001 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,1,0,0,0,0|1,1,0]=3 3002 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,1,0,0,0,0|2,0,0]=3 3003 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,1,0,0,0,0|2,0,0]=3 3004 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,1,0,0,0,0|2,0,0]=3 3005 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,1,0,0,0,0|2,0,0]=3 3006 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,1,0,0,0,0|1,0,0]=2 3007 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,1,0,0,0,0|1,0,0]=2 3008 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,1,0,0,0,0|3,0,0]=4 3009 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,1,0,0,0,0|3,0,0]=4 3010 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,1,0,0,0,0|2,0,0]=3 3011 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,1,0,0,0,0|2,0,0]=3 3012 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,1,0,0,0,0|1,0,0]=2 3013 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,1,0,0,0,0|1,0,0]=2 3014 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,1,0,0,0,0|3,0,0]=4 3015 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,1,0,0,0,0|3,0,0]=4 3016 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,1,0,0,0,0|3,0,0]=4 3017 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,1,0,0,0,0|3,0,0]=4 3018 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,1,0,0,0,0|3,0,0]=4 3019 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,1,0,0,0,0|2,0,0]=3 3020 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,1,0,0,0,0|3,0,0]=4 3021 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,1,0,0,0,0|3,0,0]=4 3022 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,1,0,0,0,0|3,0,0]=4 3023 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,1,0,0,0,0|2,0,0]=3 3024 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,1,0,0,0,0|3,0,0]=4 3025 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,1,0,0,0,0|3,0,0]=4 3026 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,1,0,0,0,0|3,0,0]=4 3027 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,1,0,0,0,0|3,0,0]=4 3028 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,1,0,0,0,0|3,0,0]=4 3029 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,1,0,0,0,0|3,0,0]=4 3030 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,1,0,0,0,0|3,0,0]=4 3031 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,1,0,0,0,0|3,0,0]=4 3032 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,1,0,0,0,0|3,0,0]=4 3033 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,1,0,0,0,0|3,0,0]=4 3034 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,1,0,0,0,0|3,0,0]=4 3035 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,1,0,0,0,0|3,0,0]=4 3036 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,1,0,0,0,0|3,0,0]=4 3037 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,1,0,0,0,0|2,0,0]=3 3038 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,1,0,0,0,0|2,0,0]=3 3039 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,1,0,0,0,0|2,0,0]=3 3040 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,1,0,0,0,0|2,0,0]=3 3041 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,1,0,0,0,0|2,0,0]=3 3042 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,1,0,0,0,0|2,0,0]=3 3043 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,1,0,0,0,0|2,0,0]=3 3044 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,1,0,0,0,0|3,0,0]=4 3045 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,1,0,0,0,0|3,0,0]=4 3046 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,1,0,0,0,0|3,0,0]=4 3047 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,1,0,0,0,0|3,0,0]=4 3048 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,1,0,0,0,0|3,0,0]=4 3049 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,1,0,0,0,0|3,0,0]=4 3050 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,1,0,0,0,0|3,0,0]=4 3051 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,1,0,0,0,0|3,0,0]=4 3052 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,1,0,0,0,0|2,0,0]=3 3053 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,1,0,0,0,0|2,0,0]=3 3054 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,1,0,0,0,0|2,0,0]=3 3055 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,1,0,0,0,0|2,0,0]=3 3056 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,1,0,0,0,0|3,0,0]=4 3057 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,1,0,0,0,0|3,0,0]=4 3058 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,1,0,0,0,0|3,0,0]=4 3059 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,1,0,0,0,0|3,0,0]=4 3060 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,1,0,0,0,0|3,0,0]=4 3061 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,1,0,0,0,0|3,0,0]=4 3062 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,1,0,0,0,0|2,0,0]=3 3063 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,1,0,0,0,0|2,0,0]=3 3064 B13R0.54 CCCCOCSCCCOC(=S)C 62a_100011995733_200135323944 [0,1,0,0,0,0|2,1,0]=4 3065 B13R0.54 CCCCOCSCCCOC(=S)C 62a_200135323944_100011995733 [0,1,0,0,0,0|2,1,0]=4 3066 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,1,0,0,0,0|2,1,0]=4 3067 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,1,0,0,0,0|2,1,0]=4 3068 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,1,0,0,0,0|1,0,0]=2 3069 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,1,0,0,0,0|1,0,0]=2 3070 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,1,0,0,0,0|3,0,0]=4 3071 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,1,0,0,0,0|3,0,0]=4 3072 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,1,0,0,0,0|3,0,0]=4 3073 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,1,0,0,0,0|3,0,0]=4 3074 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,1,0,0,0,0|3,0,0]=4 3075 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,1,0,0,0,0|3,0,0]=4 3076 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,1,0,0,0,0|3,0,0]=4 3077 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,1,0,0,0,0|3,0,0]=4 3078 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,1,0,0,0,0|2,0,0]=3 3079 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,1,0,0,0,0|2,0,0]=3 3080 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,1,0,0,0,0|2,0,0]=3 3081 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,1,0,0,0,0|2,0,0]=3 3082 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,1,0,0,0,0|2,0,0]=3 3083 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,1,0,0,0,0|2,0,0]=3 3084 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 3085 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 3086 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,1,0,0,0,0|3,0,0]=4 3087 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,1,0,0,0,0|3,0,0]=4 3088 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,1,0,0,0,0|3,0,0]=4 3089 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,1,0,0,0,0|3,0,0]=4 3090 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,1,0,0,0,0|2,0,0]=3 3091 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,1,0,0,0,0|2,0,0]=3 3092 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,1,0,0,0,0|3,0,0]=4 3093 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,1,0,0,0,0|3,0,0]=4 3094 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,1,0,0,0,0|3,0,0]=4 3095 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,1,0,0,0,0|2,0,0]=3 3096 B13R0.54 CCCOCCNCCCOC(=S)C 2230a_100161115042_200135323944 [0,1,0,0,0,0|2,1,0]=4 3097 B13R0.54 CCCOCCNCCCOC(=S)C 34a_100161115042_200135323944 [0,1,0,0,0,0|2,1,0]=4 3098 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,1,0,0,0,0|2,1,0]=4 3099 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,1,0,0,0,0|2,1,0]=4 3100 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,1,0,0,0,0|3,0,0]=4 3101 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,1,0,0,0,0|3,0,0]=4 3102 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,1,0,0,0,0|3,0,0]=4 3103 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,1,0,0,0,0|3,0,0]=4 3104 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,1,0,0,0,0|3,0,0]=4 3105 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,1,0,0,0,0|2,0,0]=3 3106 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,1,0,0,0,0|2,0,0]=3 3107 B13R0.54 CCCOCCOCCCOC(=S)C 34a_100000752267_200135323944 [0,1,0,0,0,0|2,1,0]=4 3108 B13R0.54 CCCOCCOCCCOC(=S)C 7a_100000752267_200135323944 [0,1,0,0,0,0|2,1,0]=4 3109 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,1,0,0,0,0|2,1,0]=4 3110 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,1,0,0,0,0|2,1,0]=4 3111 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,1,0,0,0,0|3,0,0]=4 3112 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,1,0,0,0,0|3,0,0]=4 3113 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,1,0,0,0,0|2,0,0]=3 3114 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,1,0,0,0,0|2,0,0]=3 3115 B13R0.54 CCCOCCSCCCOC(=S)C 62a_100011215938_200135323944 [0,1,0,0,0,0|2,1,0]=4 3116 B13R0.54 CCCOCCSCCCOC(=S)C 62a_200135323944_100011215938 [0,1,0,0,0,0|2,1,0]=4 3117 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,1,0,0,0,0|2,1,0]=4 3118 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,1,0,0,0,0|2,1,0]=4 3119 B13R0.54 CCCSCCNCCCOC(=S)C 2230a_100020603323_200135323944 [0,1,0,0,0,0|2,1,0]=4 3120 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,1,0,0,0,0|2,1,0]=4 3121 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,1,0,0,0,0|3,0,0]=4 3122 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,1,0,0,0,0|3,0,0]=4 3123 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,1,0,0,0,0|2,0,0]=3 3124 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,1,0,0,0,0|2,0,0]=3 3125 B13R0.54 CCCSCCOCCCOC(=S)C 34a_200000230433_200135323944 [0,1,0,0,0,0|2,1,0]=4 3126 B13R0.54 CCCSCCOCCCOC(=S)C 7a_200000230433_200135323944 [0,1,0,0,0,0|2,1,0]=4 3127 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,1,0,0,0,0|2,1,0]=4 3128 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,1,0,0,0,0|2,1,0]=4 3129 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,1,0,0,0,0|3,0,0]=4 3130 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,1,0,0,0,0|3,0,0]=4 3131 B13R0.54 CCOCCCNCCCCC(C)C 2230a_100000210961_100011216152 [0,1,0,0,0,0|2,0,1]=4 3132 B13R0.54 CCOCCCNCCCCC(C)C 34a_100000210961_100011216152 [0,1,0,0,0,0|2,0,1]=4 3133 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,1,0,0,0,0|3,0,0]=4 3134 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,1,0,0,0,0|2,0,0]=3 3135 B13R0.54 CCOCCCNCCCOC(=S)C 2230a_100000210961_200135323944 [0,1,0,0,0,0|2,1,0]=4 3136 B13R0.54 CCOCCCNCCCOC(=S)C 34a_100000210961_200135323944 [0,1,0,0,0,0|2,1,0]=4 3137 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,1,0,0,0,0|2,1,0]=4 3138 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,1,0,0,0,0|2,1,0]=4 3139 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,1,0,0,0,0|3,0,0]=4 3140 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,1,0,0,0,0|3,0,0]=4 3141 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,1,0,0,0,0|3,0,0]=4 3142 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,1,0,0,0,0|3,0,0]=4 3143 B13R0.54 CCOCCCOCCCCC(C)C 34a_100000757476_100011216152 [0,1,0,0,0,0|2,0,1]=4 3144 B13R0.54 CCOCCCOCCCCC(C)C 34a_100011214890_100012232248 [0,1,0,0,0,0|2,0,1]=4 3145 B13R0.54 CCOCCCOCCCCC(C)C 7a_100000757476_100011216152 [0,1,0,0,0,0|2,0,1]=4 3146 B13R0.54 CCOCCCOCCCCC(C)C 7a_100011214890_100012232248 [0,1,0,0,0,0|2,0,1]=4 3147 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,1,0,0,0,0|3,0,0]=4 3148 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,1,0,0,0,0|2,0,0]=3 3149 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,1,0,0,0,0|2,0,0]=3 3150 B13R0.54 CCOCCCOCCCOC(=S)C 34a_100000757476_200135323944 [0,1,0,0,0,0|2,1,0]=4 3151 B13R0.54 CCOCCCOCCCOC(=S)C 7a_100000757476_200135323944 [0,1,0,0,0,0|2,1,0]=4 3152 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,1,0,0,0,0|2,1,0]=4 3153 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,1,0,0,0,0|2,1,0]=4 3154 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,1,0,0,0,0|3,0,0]=4 3155 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,1,0,0,0,0|3,0,0]=4 3156 B13R0.54 CCOCCCSCCCCC(C)C 62a_100011216152_100012232248 [0,1,0,0,0,0|2,0,1]=4 3157 B13R0.54 CCOCCCSCCCCC(C)C 62a_100012232248_100011216152 [0,1,0,0,0,0|2,0,1]=4 3158 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,1,0,0,0,0|2,0,0]=3 3159 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,1,0,0,0,0|2,0,0]=3 3160 B13R0.54 CCOCCCSCCCOC(=S)C 62a_100012232248_200135323944 [0,1,0,0,0,0|2,1,0]=4 3161 B13R0.54 CCOCCCSCCCOC(=S)C 62a_200135323944_100012232248 [0,1,0,0,0,0|2,1,0]=4 3162 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,1,0,0,0,0|2,1,0]=4 3163 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,1,0,0,0,0|2,1,0]=4 3164 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,1,0,0,0,0|3,0,0]=4 3165 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,1,0,0,0,0|3,0,0]=4 3166 B13R0.54 CCOCCNCCCCCC(C)C 2230a_100011290863_100011215890 [0,1,0,0,0,0|2,0,1]=4 3167 B13R0.54 CCOCCNCCCCCC(C)C 2230a_102516460346_100000210682 [0,1,0,0,0,0|2,0,1]=4 3168 B13R0.54 CCOCCNCCCCCC(C)C 34a_100011290863_100000210147 [0,1,0,0,0,0|2,0,1]=4 3169 B13R0.54 CCOCCNCCCCCC(C)C 34a_102516460346_100000210682 [0,1,0,0,0,0|2,0,1]=4 3170 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,1,0,0,0,0|3,0,0]=4 3171 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,1,0,0,0,0|3,0,0]=4 3172 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,1,0,0,0,0|2,0,0]=3 3173 B13R0.54 CCOCCNCCCCO[N+](=O)[O-] 34a_102516460346_100015694321 [0,1,0,0,0,0|3,0,0]=4 3174 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,1,0,0,0,0|2,1,0]=4 3175 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,1,0,0,0,0|2,1,0]=4 3176 B13R0.54 CCOCCNCOCCOC(=O)C 34a_102516460346_100000076355 [0,1,0,0,0,0|3,0,0]=4 3177 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,1,0,0,0,0|3,0,0]=4 3178 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,1,0,0,0,0|3,0,0]=4 3179 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,1,0,0,0,0|3,0,0]=4 3180 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,1,0,0,0,0|3,0,0]=4 3181 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,1,0,0,0,0|3,0,0]=4 3182 B13R0.54 CCOCCOCCCCCC(C)C 34a_100000210136_100000210682 [0,1,0,0,0,0|2,0,1]=4 3183 B13R0.54 CCOCCOCCCCCC(C)C 34a_100011995859_100000210147 [0,1,0,0,0,0|2,0,1]=4 3184 B13R0.54 CCOCCOCCCCCC(C)C 7a_100000210136_100000210682 [0,1,0,0,0,0|2,0,1]=4 3185 B13R0.54 CCOCCOCCCCCC(C)C 7a_100011995859_100011215890 [0,1,0,0,0,0|2,0,1]=4 3186 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,1,0,0,0,0|2,0,0]=3 3187 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,1,0,0,0,0|2,0,0]=3 3188 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,1,0,0,0,0|2,0,0]=3 3189 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,1,0,0,0,0|2,0,0]=3 3190 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 34a_100000210136_100015694321 [0,1,0,0,0,0|3,0,0]=4 3191 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 7a_100000210136_100015694321 [0,1,0,0,0,0|3,0,0]=4 3192 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,1,0,0,0,0|2,1,0]=4 3193 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,1,0,0,0,0|2,1,0]=4 3194 B13R0.54 CCOCCOCCNCOC(=O)C 34a_100102712874_100009813279 [0,1,0,0,0,0|3,0,0]=4 3195 B13R0.54 CCOCCOCCOCOC(=O)C 34a_100000210240_100009813279 [0,1,0,0,0,0|3,0,0]=4 3196 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100000076356_100011211534 [0,1,0,0,0,0|3,0,0]=4 3197 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100011211534_100000076356 [0,1,0,0,0,0|3,0,0]=4 3198 B13R0.54 CCOCCOCOCCOC(=O)C 34a_100000210136_100000076355 [0,1,0,0,0,0|3,0,0]=4 3199 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,1,0,0,0,0|3,0,0]=4 3200 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,1,0,0,0,0|3,0,0]=4 3201 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210147_100000210682 [0,1,0,0,0,0|2,0,1]=4 3202 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210682_100011215890 [0,1,0,0,0,0|2,0,1]=4 3203 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,1,0,0,0,0|2,0,0]=3 3204 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,1,0,0,0,0|2,0,0]=3 3205 B13R0.54 CCOCCSCCCCO[N+](=O)[O-] 62a_100000210147_100015694321 [0,1,0,0,0,0|3,0,0]=4 3206 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,1,0,0,0,0|2,1,0]=4 3207 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,1,0,0,0,0|2,1,0]=4 3208 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000076355_100011215890 [0,1,0,0,0,0|3,0,0]=4 3209 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000210147_100000076355 [0,1,0,0,0,0|3,0,0]=4 3210 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,1,0,0,0,0|2,0,0]=3 3211 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,1,0,0,0,0|2,0,0]=3 3212 B13R0.54 CCOCSCCOCCOC(=O)C 62a_100000739092_200000083610 [0,1,0,0,0,0|3,0,0]=4 3213 B13R0.54 CCOCSCCOCCOC(=O)C 62a_200000083610_100000739092 [0,1,0,0,0,0|3,0,0]=4 3214 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,1,0,0,0,0|3,0,0]=4 3215 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,1,0,0,0,0|3,0,0]=4 3216 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,1,0,0,0,0|2,0,0]=3 3217 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,1,0,0,0,0|2,0,0]=3 3218 B13R0.54 CCSCCCOCCCOC(=S)C 34a_100011216438_200135323944 [0,1,0,0,0,0|2,1,0]=4 3219 B13R0.54 CCSCCCOCCCOC(=S)C 7a_100011216438_200135323944 [0,1,0,0,0,0|2,1,0]=4 3220 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,1,0,0,0,0|2,1,0]=4 3221 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,1,0,0,0,0|2,1,0]=4 3222 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,1,0,0,0,0|3,0,0]=4 3223 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 3224 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 3225 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,1,0,0,0,0|2,1,0]=4 3226 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,1,0,0,0,0|3,0,0]=4 3227 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,1,0,0,0,0|3,0,0]=4 3228 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,1,0,0,0,0|3,0,0]=4 3229 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,1,0,0,0,0|3,0,0]=4 3230 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,1,0,0,0,0|3,0,0]=4 3231 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,1,0,0,0,0|2,0,0]=3 3232 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,1,0,0,0,0|2,0,0]=3 3233 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,1,0,0,0,0|2,0,0]=3 3234 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,1,0,0,0,0|2,0,0]=3 3235 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 34a_100000212035_100015694321 [0,1,0,0,0,0|3,0,0]=4 3236 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 7a_100000212035_100015694321 [0,1,0,0,0,0|3,0,0]=4 3237 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,1,0,0,0,0|2,1,0]=4 3238 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,1,0,0,0,0|2,1,0]=4 3239 B13R0.54 CCSCCOCOCCOC(=O)C 34a_100000212035_100000076355 [0,1,0,0,0,0|3,0,0]=4 3240 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,1,0,0,0,0|3,0,0]=4 3241 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,1,0,0,0,0|3,0,0]=4 3242 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,1,0,0,0,0|2,0,0]=3 3243 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,1,0,0,0,0|2,0,0]=3 3244 B13R0.54 CCSCCSCCCCO[N+](=O)[O-] 62a_100000757381_100015694321 [0,1,0,0,0,0|3,0,0]=4 3245 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,1,0,0,0,0|2,1,0]=4 3246 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,1,0,0,0,0|2,1,0]=4 3247 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000076355_100000757381 [0,1,0,0,0,0|3,0,0]=4 3248 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000757381_100000076355 [0,1,0,0,0,0|3,0,0]=4 3249 B13R0.54 CN(C)CCCCSCCCCC=O 62a_100000139335_100000690147 [0,1,0,0,0,0|3,0,0]=4 3250 B13R0.54 CN(C)CCCSCCCCCC=O 62a_100000139337_100000757444 [0,1,0,0,0,0|3,0,0]=4 3251 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,1,0,0,0,0|3,0,0]=4 3252 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,1,0,0,0,0|3,0,0]=4 3253 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,1,0,0,0,0|2,0,0]=3 3254 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,1,0,0,0,0|2,0,0]=3 3255 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,1,0,0,0,0|3,0,0]=4 3256 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,1,0,0,0,0|2,0,0]=3 3257 B13R0.54 CNCCCOCCCCO[N+](=O)[O-] 34a_100000213112_100015694321 [0,1,0,0,0,0|3,0,0]=4 3258 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,1,0,0,0,0|2,1,0]=4 3259 B13R0.54 CNCCCOCOCCOC(=O)C 34a_100000213112_100000076355 [0,1,0,0,0,0|3,0,0]=4 3260 B13R0.54 CNCCOCCOCCOC(=O)C 34a_100000228057_100009814007 [0,1,0,0,0,0|3,0,0]=4 3261 B13R0.54 CNCCOCCOCCOC(=O)N 34a_100000228057_200011214921 [0,1,0,0,0,0|3,0,0]=4 3262 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,1,0,0,0,0|3,0,0]=4 3263 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,1,0,0,0,0|3,0,0]=4 3264 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,1,0,0,0,0|3,0,0]=4 3265 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,1,0,0,0,0|3,0,0]=4 3266 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,1,0,0,0,0|3,0,0]=4 3267 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,1,0,0,0,0|3,0,0]=4 3268 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,1,0,0,0,0|3,0,0]=4 3269 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,1,0,0,0,0|2,0,0]=3 3270 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,1,0,0,0,0|3,0,0]=4 3271 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,1,0,0,0,0|3,0,0]=4 3272 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,1,0,0,0,0|3,0,0]=4 3273 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,1,0,0,0,0|3,0,0]=4 3274 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,1,0,0,0,0|2,0,0]=3 3275 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,1,0,0,0,0|2,0,0]=3 3276 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,1,0,0,0,0|3,0,0]=4 3277 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,1,0,0,0,0|3,0,0]=4 3278 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,1,0,0,0,0|3,0,0]=4 3279 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,1,0,0,0,0|3,0,0]=4 3280 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,1,0,0,0,0|2,0,0]=3 3281 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,1,0,0,0,0|2,0,0]=3 3282 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,1,0,0,0,0|3,0,0]=4 3283 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,1,0,0,0,0|3,0,0]=4 3284 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,1,0,0,0,0|3,0,0]=4 3285 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,1,0,0,0,0|3,0,0]=4 3286 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,1,0,0,0,0|3,0,0]=4 3287 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,1,0,0,0,0|3,0,0]=4 3288 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,1,0,0,0,0|2,0,0]=3 3289 B13R0.54 COCCCCOCCCOC(=S)C 34a_100000740925_200135323944 [0,1,0,0,0,0|2,1,0]=4 3290 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,1,0,0,0,0|2,1,0]=4 3291 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,1,0,0,0,0|3,0,0]=4 3292 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,1,0,0,0,0|3,0,0]=4 3293 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,1,0,0,0,0|2,0,0]=3 3294 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,1,0,0,0,0|2,0,0]=3 3295 B13R0.54 COCCCCSCCCOC(=S)C 62a_100000730899_200135323944 [0,1,0,0,0,0|2,1,0]=4 3296 B13R0.54 COCCCCSCCCOC(=S)C 62a_200135323944_100000730899 [0,1,0,0,0,0|2,1,0]=4 3297 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,1,0,0,0,0|2,1,0]=4 3298 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,1,0,0,0,0|2,1,0]=4 3299 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,1,0,0,0,0|3,0,0]=4 3300 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 3301 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 3302 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,1,0,0,0,0|2,0,0]=3 3303 B13R0.54 COCCCNCCCCO[N+](=O)[O-] 34a_100150723488_100015694321 [0,1,0,0,0,0|3,0,0]=4 3304 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,1,0,0,0,0|2,1,0]=4 3305 B13R0.54 COCCCNCOCCOC(=O)C 34a_100150723488_100000076355 [0,1,0,0,0,0|3,0,0]=4 3306 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,1,0,0,0,0|3,0,0]=4 3307 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,1,0,0,0,0|3,0,0]=4 3308 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,1,0,0,0,0|3,0,0]=4 3309 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,1,0,0,0,0|3,0,0]=4 3310 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,1,0,0,0,0|2,0,0]=3 3311 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,1,0,0,0,0|2,0,0]=3 3312 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,1,0,0,0,0|2,0,0]=3 3313 B13R0.54 COCCCOCCCCO[N+](=O)[O-] 34a_100000740835_100015694321 [0,1,0,0,0,0|3,0,0]=4 3314 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,1,0,0,0,0|2,1,0]=4 3315 B13R0.54 COCCCOCOCCOC(=O)C 34a_100000740835_100000076355 [0,1,0,0,0,0|3,0,0]=4 3316 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,1,0,0,0,0|3,0,0]=4 3317 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,1,0,0,0,0|3,0,0]=4 3318 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,1,0,0,0,0|2,0,0]=3 3319 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,1,0,0,0,0|2,0,0]=3 3320 B13R0.54 COCCCSCCCCO[N+](=O)[O-] 62a_100000709357_100015694321 [0,1,0,0,0,0|3,0,0]=4 3321 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,1,0,0,0,0|2,1,0]=4 3322 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,1,0,0,0,0|2,1,0]=4 3323 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000076355_100000709357 [0,1,0,0,0,0|3,0,0]=4 3324 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000709357_100000076355 [0,1,0,0,0,0|3,0,0]=4 3325 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 3326 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 3327 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,1,0,0,0,0|2,0,0]=3 3328 B13R0.54 COCCNCCOCCOC(=O)C 2230a_100000209980_200000083610 [0,1,0,0,0,0|3,0,0]=4 3329 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,1,0,0,0,0|2,0,0]=3 3330 B13R0.54 COCCOCCCNCOC(=O)C 34a_100000206027_100009813279 [0,1,0,0,0,0|3,0,0]=4 3331 B13R0.54 COCCOCCCSCOC(=O)C 62a_100000076356_100011216529 [0,1,0,0,0,0|3,0,0]=4 3332 B13R0.54 COCCOCCCSCOC(=O)C 62a_100011216529_100000076356 [0,1,0,0,0,0|3,0,0]=4 3333 B13R0.54 COCCOCCNCCOC(=O)C 34a_100000745349_100009814007 [0,1,0,0,0,0|3,0,0]=4 3334 B13R0.54 COCCOCCNCCOC(=O)N 34a_100000745349_200011214921 [0,1,0,0,0,0|3,0,0]=4 3335 B13R0.54 COCCOCCOCCOC(=O)C 34a_100000210237_200000083610 [0,1,0,0,0,0|3,0,0]=4 3336 B13R0.54 COCCOCCOCCOC(=O)C 34a_100011215163_100009814007 [0,1,0,0,0,0|3,0,0]=4 3337 B13R0.54 COCCOCCOCCOC(=O)C 7a_100011215163_100009814007 [0,1,0,0,0,0|3,0,0]=4 3338 B13R0.54 COCCOCCOCCOC(=O)N 34a_100011215163_200011214921 [0,1,0,0,0,0|3,0,0]=4 3339 B13R0.54 COCCOCCOCCOC(=O)N 7a_100000766696_100000695917 [0,1,0,0,0,0|3,0,0]=4 3340 B13R0.54 COCCOCCOCCOC(=O)N 7a_100011215163_200011214921 [0,1,0,0,0,0|3,0,0]=4 3341 B13R0.54 COCCOCCSCCOC(=O)C 62a_100000695917_100009814007 [0,1,0,0,0,0|3,0,0]=4 3342 B13R0.54 COCCOCCSCCOC(=O)C 62a_100009814007_100000695917 [0,1,0,0,0,0|3,0,0]=4 3343 B13R0.54 COCCOCCSCCOC(=O)N 62a_100000695917_200011214921 [0,1,0,0,0,0|3,0,0]=4 3344 B13R0.54 COCCOCCSCCOC(=O)N 62a_200011214921_100000695917 [0,1,0,0,0,0|3,0,0]=4 3345 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000042594_100000231047 [0,1,0,0,0,0|3,0,0]=4 3346 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000231047_100000042594 [0,1,0,0,0,0|3,0,0]=4 3347 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,1,0,0,0,0|2,0,0]=3 3348 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,1,0,0,0,0|2,0,0]=3 3349 B13R0.54 COCCSCCOCCOC(=O)C 62a_100000233755_200000083610 [0,1,0,0,0,0|3,0,0]=4 3350 B13R0.54 COCCSCCOCCOC(=O)C 62a_200000083610_100000233755 [0,1,0,0,0,0|3,0,0]=4 3351 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,1,0,0,0,0|3,0,0]=4 3352 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,1,0,0,0,0|3,0,0]=4 3353 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,1,0,0,0,0|3,0,0]=4 3354 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,1,0,0,0,0|3,0,0]=4 3355 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,1,0,0,0,0|2,0,0]=3 3356 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,1,0,0,0,0|2,0,0]=3 3357 B13R0.54 CSCCCCOCCCOC(=S)C 34a_100011217163_200135323944 [0,1,0,0,0,0|2,1,0]=4 3358 B13R0.54 CSCCCCOCCCOC(=S)C 7a_100011217163_200135323944 [0,1,0,0,0,0|2,1,0]=4 3359 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,1,0,0,0,0|2,1,0]=4 3360 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,1,0,0,0,0|2,1,0]=4 3361 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,1,0,0,0,0|3,0,0]=4 3362 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,1,0,0,0,0|2,1,0]=4 3363 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,1,0,0,0,0|3,0,0]=4 3364 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,1,0,0,0,0|3,0,0]=4 3365 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,1,0,0,0,0|2,0,0]=3 3366 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,1,0,0,0,0|2,0,0]=3 3367 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 34a_100000690336_100015694321 [0,1,0,0,0,0|3,0,0]=4 3368 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 7a_100000690336_100015694321 [0,1,0,0,0,0|3,0,0]=4 3369 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,1,0,0,0,0|2,1,0]=4 3370 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,1,0,0,0,0|2,1,0]=4 3371 B13R0.54 CSCCCOCOCCOC(=O)C 34a_100000690336_100000076355 [0,1,0,0,0,0|3,0,0]=4 3372 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,1,0,0,0,0|3,0,0]=4 3373 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,1,0,0,0,0|3,0,0]=4 3374 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,1,0,0,0,0|2,0,0]=3 3375 B13R0.54 CSCCNCCOCCOC(=O)C 2230a_100020590264_200000083610 [0,1,0,0,0,0|3,0,0]=4 3376 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,1,0,0,0,0|2,0,0]=3 3377 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,1,0,0,0,0|2,0,0]=3 3378 B13R0.54 CSCCOCCOCCOC(=O)C 34a_100000230434_200000083610 [0,1,0,0,0,0|3,0,0]=4 3379 B13R0.54 CSCCOCCOCCOC(=O)C 7a_100000230434_200000083610 [0,1,0,0,0,0|3,0,0]=4 3380 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,1,0,0,0,0|2,0,0]=3 3381 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,1,0,0,0,0|2,0,0]=3 3382 B13R0.54 CSCCSCCOCCOC(=O)C 62a_100000212216_200000083610 [0,1,0,0,0,0|3,0,0]=4 3383 B13R0.54 CSCCSCCOCCOC(=O)C 62a_200000083610_100000751147 [0,1,0,0,0,0|3,0,0]=4 3384 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 3385 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 3386 B13R0.54 N#CCCCCCOCCOC(=O)N 7a_100000766696_100009813376 [0,1,0,0,0,0|2,0,1]=4 3387 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_100009813376_200011214921 [0,1,0,0,0,0|2,0,1]=4 3388 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_200011214921_100009813376 [0,1,0,0,0,0|2,0,1]=4 3389 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,1,0,0,0,0|3,0,0]=4 3390 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,1,0,0,0,0|3,0,0]=4 3391 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,1,0,0,0,0|3,0,0]=4 3392 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,1,0,0,0,0|3,0,0]=4 3393 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,1,0,0,0,0|3,0,0]=4 3394 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,1,0,0,0,0|3,0,0]=4 3395 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,1,0,0,0,0|3,0,0]=4 3396 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,1,0,0,0,0|3,0,0]=4 3397 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,1,0,0,0,0|3,0,0]=4 3398 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,1,0,0,0,0|3,0,0]=4 3399 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,1,0,0,0,0|3,0,0]=4 3400 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,1,0,0,0,0|3,0,0]=4 3401 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,1,0,0,0,0|3,0,0]=4 3402 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,1,0,0,0,0|3,0,0]=4 3403 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,1,0,0,0,0|3,0,0]=4 3404 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,1,0,0,0,0|3,0,0]=4 3405 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,1,0,0,0,0|3,0,0]=4 3406 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,1,0,0,0,0|3,0,0]=4 3407 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,1,0,0,0,0|3,0,0]=4 3408 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,1,0,0,0,0|3,0,0]=4 3409 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,1,0,0,0,0|3,0,0]=4 3410 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,1,0,0,0,0|3,0,0]=4 3411 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,1,0,0,0,0|3,0,0]=4 3412 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,1,0,0,0,0|3,0,0]=4 3413 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,1,0,0,0,0|3,0,0]=4 3414 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,1,0,0,0,0|3,0,0]=4 3415 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,1,0,0,0,0|3,0,0]=4 3416 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,1,0,0,0,0|3,0,0]=4 3417 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,1,0,0,0,0|3,0,0]=4 3418 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,1,0,0,0,0|3,0,0]=4 3419 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,1,0,0,0,0|3,0,0]=4 3420 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,1,0,0,0,0|3,0,0]=4 3421 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,1,0,0,0,0|3,0,0]=4 3422 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,1,0,0,0,0|3,0,0]=4 3423 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,1,0,0,0,0|3,0,0]=4 3424 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,1,0,0,0,0|3,0,0]=4 3425 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,1,0,0,0,0|3,0,0]=4 3426 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,1,0,0,0,0|3,0,0]=4 3427 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,1,0,0,0,0|3,0,0]=4 3428 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,1,0,0,0,0|3,0,0]=4 3429 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,1,0,0,0,0|3,0,0]=4 3430 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,1,0,0,0,0|3,0,0]=4 3431 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,1,0,0,0,0|3,0,0]=4 3432 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,0,0,0,0|3,0,0]=4 3433 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,0,0,0,0|3,0,0]=4 3434 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,0,0,0,0|3,0,0]=4 3435 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,0,0,0,0|3,0,0]=4 3436 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,0,0,0,0|3,0,0]=4 3437 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,0,0,0,0|3,0,0]=4 3438 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,0,0,0,0|3,0,0]=4 3439 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,0,0,0,0|3,0,0]=4 3440 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,0,0,0,0|3,0,0]=4 3441 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,1,0,0,0,0|3,0,0]=4 3442 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,1,0,0,0,0|3,0,0]=4 3443 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,1,0,0,0,0|3,0,0]=4 3444 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,1,0,0,0,0|3,0,0]=4 3445 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 3446 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,1,0,0,0,0|3,0,0]=4 3447 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,1,0,0,0,0|3,0,0]=4 3448 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,1,0,0,0,0|3,0,0]=4 3449 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,1,0,0,0,0|3,0,0]=4 3450 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,1,0,0,0,0|3,0,0]=4 3451 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 3452 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,1,0,0,0,0|3,0,0]=4 3453 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,1,0,0,0,0|2,0,0]=3 3454 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,1,0,0,0,0|2,0,1]=4 3455 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,1,0,0,0,0|2,0,0]=3 3456 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,1,0,0,0,0|2,0,0]=3 3457 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,1,0,0,0,0|2,0,0]=3 3458 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,1,0,0,0,0|2,0,0]=3 3459 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,1,0,0,0,0|2,0,0]=3 3460 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,1,0,0,0,0|2,0,0]=3 3461 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,1,0,0,0,0|2,0,0]=3 3462 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,1,0,0,0,0|2,0,0]=3 3463 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,1,0,0,0,0|2,0,1]=4 3464 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,1,0,0,0,0|2,0,1]=4 3465 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,1,0,0,0,0|2,0,0]=3 3466 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,1,0,0,0,0|2,0,0]=3 3467 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,1,0,0,0,0|2,0,0]=3 3468 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,1,0,0,0,0|2,0,0]=3 3469 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,0,0,0,0|3,0,0]=4 3470 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,0,0,0,0|3,0,0]=4 3471 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,1,0,0,0,0|3,0,0]=4 3472 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,1,0,0,0,0|3,0,0]=4 3473 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,1,0,0,0,0|2,0,0]=3 3474 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,1,0,0,0,0|3,0,0]=4 3475 B13R0.54 NCCCCOCCCCO[N+](=O)[O-] 34a_100000750430_100015694321 [0,1,0,0,0,0|3,0,0]=4 3476 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,0,0,0,0|3,0,0]=4 3477 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,1,0,0,0,0|3,0,0]=4 3478 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,1,0,0,0,0|3,0,0]=4 3479 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,0,0,0,0|3,0,0]=4 3480 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,0,0,0,0|3,0,0]=4 3481 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,0,0,0,0|3,0,0]=4 3482 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,0,0,0,0|3,0,0]=4 3483 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,0,0,0,0|3,0,0]=4 3484 B13R0.54 O=[N+]([O-])OCCCCNCCCCO 34a_100000750430_100015694321 [0,1,0,0,0,0|3,0,0]=4 3485 B13R0.54 O=[N+]([O-])OCCCCOCCCCBr 34a_100011216708_100015694321 [0,1,0,0,0,0|3,0,0]=4 3486 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 34a_100000210776_100015694321 [0,1,0,0,0,0|3,0,0]=4 3487 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 7a_100000210776_100015694321 [0,1,0,0,0,0|3,0,0]=4 3488 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 34a_100011995726_100015694321 [0,1,0,0,0,0|3,0,0]=4 3489 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 7a_100011995726_100015694321 [0,1,0,0,0,0|3,0,0]=4 3490 B13R0.54 O=[N+]([O-])OCCCCOCCCCI 34a_200012148704_100015694321 [0,1,0,0,0,0|3,0,0]=4 3491 B13R0.54 O=[N+]([O-])OCCCCSCCCCF 62a_100000729493_100015694321 [0,1,0,0,0,0|3,0,0]=4 3492 B13R0.54 O=[N+]([O-])OCCCCSCCCCO 62a_100000210776_100015694321 [0,1,0,0,0,0|3,0,0]=4 3493 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,1,0,0,0,0|2,0,1]=4 3494 B13R0.66 C/C=C/CN(C)CCCCCCCC 269982a_100000207567_100102629194 [0,1,0,0,0,0|3,0,0]=4 3495 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,1,0,0,0,0|2,0,1]=4 3496 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,1,0,0,0,0|2,0,1]=4 3497 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,1,0,0,0,0|3,0,0]=4 3498 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,1,0,0,0,0|3,0,0]=4 3499 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,1,0,0,0,0|3,0,0]=4 3500 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,1,0,0,0,0|2,0,1]=4 3501 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,1,0,0,0,0|2,0,1]=4 3502 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,1,0,0,0,0|3,0,0]=4 3503 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,1,0,0,0,0|3,0,0]=4 3504 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,1,0,0,0,0|3,0,0]=4 3505 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,1,0,0,0,0|3,0,0]=4 3506 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,1,0,0,0,0|3,0,0]=4 3507 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,1,0,0,0,0|3,0,0]=4 3508 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,1,0,0,0,0|3,0,0]=4 3509 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,1,0,0,0,0|3,0,0]=4 3510 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,1,0,0,0,0|3,0,0]=4 3511 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,1,0,0,0,0|3,0,0]=4 3512 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,1,0,0,0,0|3,0,0]=4 3513 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,1,0,0,0,0|3,0,0]=4 3514 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,1,0,0,0,0|3,0,0]=4 3515 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,1,0,0,0,0|3,0,0]=4 3516 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,1,0,0,0,0|3,0,0]=4 3517 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,1,0,0,0,0|3,0,0]=4 3518 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,1,0,0,0,0|3,0,0]=4 3519 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,1,0,0,0,0|3,0,0]=4 3520 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,1,0,0,0,0|3,0,0]=4 3521 B13R0.66 C=COCCCCOC(C)CCCC 34a_100000031558_200011215066 [0,1,0,0,0,0|2,0,0]=3 3522 B13R0.66 C=COCCCCOC(C)CCCC 7a_100000031558_200011215066 [0,1,0,0,0,0|2,0,0]=3 3523 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [0,1,0,0,0,0|3,0,0]=4 3524 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,1,0,0,0,0|2,0,1]=4 3525 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,1,0,0,0,0|2,0,1]=4 3526 B13R0.66 CC=CCN(C)CCCCCCCC 2230a_100000207567_100000070051 [0,1,0,0,0,0|3,0,0]=4 3527 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,1,0,0,0,0|2,0,0]=3 3528 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,1,0,0,0,0|2,0,0]=3 3529 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,1,0,0,0,0|2,0,0]=3 3530 B13R0.66 CCCCC(C)COCCCOCC 34a_100011995851_100012232248 [0,1,0,0,0,0|2,0,1]=4 3531 B13R0.66 CCCCC(C)COCCCOCC 7a_100011995851_100012232248 [0,1,0,0,0,0|2,0,1]=4 3532 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,1,0,0,0,0|2,0,0]=3 3533 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,1,0,0,0,0|2,0,0]=3 3534 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,1,0,0,0,0|2,0,0]=3 3535 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,1,0,0,0,0|2,0,0]=3 3536 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,1,0,0,0,0|1,0,2]=4 3537 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [0,1,0,0,0,0|2,0,1]=4 3538 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,1,0,0,0,0|1,0,1]=3 3539 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,1,0,0,0,0|1,0,1]=3 3540 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,1,0,0,0,0|1,0,1]=3 3541 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,1,0,0,0,0|1,0,1]=3 3542 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,1,0,0,0,0|2,0,0]=3 3543 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,1,0,0,0,0|2,0,0]=3 3544 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [0,1,0,0,0,0|2,0,1]=4 3545 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,1,0,0,0,0|2,0,1]=4 3546 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,1,0,0,0,0|2,0,1]=4 3547 B13R0.66 CCCCCCNCC(O)COCC 2230a_102515437182_100000210314 [0,1,0,0,0,0|2,0,1]=4 3548 B13R0.66 CCCCCCNCC(O)COCC 34a_102515437182_100000210314 [0,1,0,0,0,0|2,0,1]=4 3549 B13R0.66 CCCC[C@H](N)COCCCOCC 34a_100011934283_100012232248 [0,1,0,0,0,0|2,0,1]=4 3550 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [0,1,0,0,0,0|3,0,0]=4 3551 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [0,1,0,0,0,0|3,0,0]=4 3552 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [0,1,0,0,0,0|3,0,0]=4 3553 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,1,0,0,0,0|3,0,0]=4 3554 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,0,0,0,0|2,0,1]=4 3555 B13R0.147 C/C=C/COCCCCCC(C)CC 7a_200000035636_100102629194 [0,1,0,0,0,0|3,0,0]=4 3556 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,0,0,0,0|2,0,0]=3 3557 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,1,0,0,0,0|3,0,0]=4 3558 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,1,0,0,0,0|3,0,0]=4 3559 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,1,0,0,0,0|3,0,0]=4 3560 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,1,0,0,0,0|3,0,0]=4 3561 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,1,0,0,0,0|3,0,0]=4 3562 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,1,0,0,0,0|3,0,0]=4 3563 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,1,0,0,0,0|3,0,0]=4 3564 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,1,0,0,0,0|3,0,0]=4 3565 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,1,0,0,0,0|3,0,0]=4 3566 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,1,0,0,0,0|3,0,0]=4 3567 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,1,0,0,0,0|3,0,0]=4 3568 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,1,0,0,0,0|3,0,0]=4 3569 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,1,0,0,0,0|2,0,1]=4 3570 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,1,0,0,0,0|2,0,1]=4 3571 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,1,0,0,0,0|3,0,0]=4 3572 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,1,0,0,0,0|3,0,0]=4 3573 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,1,0,0,0,0|3,0,0]=4 3574 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,1,0,0,0,0|3,0,0]=4 3575 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,1,0,0,0,0|3,0,0]=4 3576 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,1,0,0,0,0|3,0,0]=4 3577 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,1,0,0,0,0|3,0,0]=4 3578 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,1,0,0,0,0|3,0,0]=4 3579 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,1,0,0,0,0|3,0,0]=4 3580 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,1,0,0,0,0|3,0,0]=4 3581 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,1,0,0,0,0|3,0,0]=4 3582 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,1,0,0,0,0|3,0,0]=4 3583 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,1,0,0,0,0|3,0,0]=4 3584 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,1,0,0,0,0|3,0,0]=4 3585 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,1,0,0,0,0|3,0,0]=4 3586 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,1,0,0,0,0|3,0,0]=4 3587 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,1,0,0,0,0|3,0,0]=4 3588 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,1,0,0,0,0|3,0,0]=4 3589 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,1,0,0,0,0|3,0,0]=4 3590 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,1,0,0,0,0|3,0,0]=4 3591 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,1,0,0,0,0|3,0,0]=4 3592 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,1,0,0,0,0|3,0,0]=4 3593 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,1,0,0,0,0|3,0,0]=4 3594 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,1,0,0,0,0|3,0,0]=4 3595 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,1,0,0,0,0|3,0,0]=4 3596 B13R0.147 C=COCCCNCCCN(C)CC 2230a_100000210767_100015186262 [0,1,0,0,0,0|3,0,0]=4 3597 B13R0.147 C=COCCOCCOCC(C)CC 34a_100000039918_100000748023 [0,1,0,0,0,0|3,0,0]=4 3598 B13R0.147 C=COCCOCCOCC(C)CC 7a_100000039918_100000748023 [0,1,0,0,0,0|3,0,0]=4 3599 B13R0.147 C=COCCOCCOCC(O)CC 34a_100000039918_100011218378 [0,1,0,0,0,0|3,0,0]=4 3600 B13R0.147 C=COCCOCCOCC(O)CC 7a_100000039918_100011218378 [0,1,0,0,0,0|3,0,0]=4 3601 B13R0.147 C=COCCOCCOC[C@@H](C)CC 34a_100000039918_100009816398 [0,1,0,0,0,0|3,0,0]=4 3602 B13R0.147 C=COCCOCCOC[C@@H](C)CC 7a_100000039918_100009816398 [0,1,0,0,0,0|3,0,0]=4 3603 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,1,0,0,0,0|3,0,0]=4 3604 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,1,0,0,0,0|3,0,0]=4 3605 B13R0.147 CC=CCOCCCCCC(C)CC 7a_200000035636_100000070051 [0,1,0,0,0,0|3,0,0]=4 3606 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,1,0,0,0,0|2,0,0]=3 3607 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,1,0,0,0,0|2,0,0]=3 3608 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,1,0,0,0,0|2,0,0]=3 3609 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,0,0,0,0|2,0,1]=4 3610 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,0,0,0,0|2,0,1]=4 3611 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,0,0,0,0|2,0,1]=4 3612 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,0,0,0,0|1,0,2]=4 3613 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,0,0,0,0|3,0,0]=4 3614 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,0,0,0,0|3,0,0]=4 3615 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,0,0,0,0|3,0,0]=4 3616 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,1,0,0,0,0|3,0,0]=4 3617 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,1,0,0,0,0|3,0,0]=4 3618 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,1,0,0,0,0|3,0,0]=4 3619 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,1,0,0,0,0|3,0,0]=4 3620 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,1,0,0,0,0|3,0,0]=4 3621 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,1,0,0,0,0|2,0,1]=4 3622 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,1,0,0,0,0|2,0,1]=4 3623 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,1,0,0,0,0|2,0,1]=4 3624 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,1,0,0,0,0|2,0,1]=4 3625 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,1,0,0,0,0|2,0,1]=4 3626 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [0,1,0,0,0,0|3,0,0]=4 3627 B13R0.147 CCOCCCOCCCC(C)CC 7a_100011216074_100012232248 [0,1,0,0,0,0|2,0,1]=4 3628 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,1,0,0,0,0|3,0,0]=4 3629 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [0,1,0,0,0,0|3,0,0]=4 3630 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,1,0,0,0,0|2,0,1]=4 3631 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,1,0,0,0,0|2,0,1]=4 3632 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,1,0,0,0,0|3,0,0]=4 3633 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,1,0,0,0,0|3,0,0]=4 3634 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,1,0,0,0,0|3,0,0]=4 3635 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,1,0,0,0,0|3,0,0]=4 3636 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,1,0,0,0,0|3,0,0]=4 3637 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,1,0,0,0,0|3,0,0]=4 3638 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,1,0,0,0,0|3,0,0]=4 3639 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,1,0,0,0,0|3,0,0]=4 3640 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,1,0,0,0,0|3,0,0]=4 3641 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,1,0,0,0,0|3,0,0]=4 3642 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,1,0,0,0,0|3,0,0]=4 3643 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,1,0,0,0,0|3,0,0]=4 3644 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,1,0,0,0,0|3,0,0]=4 3645 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,1,0,0,0,0|3,0,0]=4 3646 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,1,0,0,0,0|3,0,0]=4 3647 B13R0.165 C=COCCNC(C)CCCCCC 2230a_100000210919_100000039644 [0,1,0,0,0,0|2,0,0]=3 3648 B13R0.165 C=COCCNC(C)CCCCCC 34a_100000210919_100000039644 [0,1,0,0,0,0|2,0,0]=3 3649 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [0,1,0,0,0,0|2,0,0]=3 3650 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [0,1,0,0,0,0|2,0,0]=3 3651 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [0,1,0,0,0,0|2,0,0]=3 3652 B13R0.165 C=COCCOC(C)COCCCC 34a_100011217071_100000039644 [0,1,0,0,0,0|3,0,0]=4 3653 B13R0.165 C=COCCOC(C)COCCCC 7a_100011217071_100000039644 [0,1,0,0,0,0|3,0,0]=4 3654 B13R0.165 C=COCCSC(C)CCCCCC 62a_100000039644_100011215978 [0,1,0,0,0,0|2,0,0]=3 3655 B13R0.165 C=COCCSC(C)CCCCCC 62a_100011215978_100000039644 [0,1,0,0,0,0|2,0,0]=3 3656 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [0,1,0,0,0,0|1,0,2]=4 3657 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,1,0,0,0,0|2,0,0]=3 3658 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,1,0,0,0,0|2,0,0]=3 3659 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,1,0,0,0,0|2,0,0]=3 3660 B13R0.165 CCCCCCC(C)NCCOCC 2230a_100000210919_100011215890 [0,1,0,0,0,0|2,0,1]=4 3661 B13R0.165 CCCCCCC(C)NCCOCC 2230a_102516460346_100011215978 [0,1,0,0,0,0|2,0,1]=4 3662 B13R0.165 CCCCCCC(C)NCCOCC 270004a_102516460346_100000210826 [0,1,0,0,0,0|2,0,1]=4 3663 B13R0.165 CCCCCCC(C)NCCOCC 34a_100000210919_100000210147 [0,1,0,0,0,0|2,0,1]=4 3664 B13R0.165 CCCCCCC(C)NCCOCC 34a_102516460346_100011215978 [0,1,0,0,0,0|2,0,1]=4 3665 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,1,0,0,0,0|2,0,0]=3 3666 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [0,1,0,0,0,0|2,0,1]=4 3667 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [0,1,0,0,0,0|2,0,1]=4 3668 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [0,1,0,0,0,0|2,0,1]=4 3669 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [0,1,0,0,0,0|2,0,1]=4 3670 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,1,0,0,0,0|2,0,0]=3 3671 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,1,0,0,0,0|2,0,0]=3 3672 B13R0.165 CCCCCCC(C)SCCOCC 62a_100000210147_100011215978 [0,1,0,0,0,0|2,0,1]=4 3673 B13R0.165 CCCCCCC(C)SCCOCC 62a_100011215978_100011215890 [0,1,0,0,0,0|2,0,1]=4 3674 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,1,0,0,0,0|2,0,0]=3 3675 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,1,0,0,0,0|2,0,0]=3 3676 B13R0.165 CCCCCCN(C)CCCOCC 2230a_106256046315_100012232248 [0,1,0,0,0,0|2,0,1]=4 3677 B13R0.165 CCCCCCN(C)CCCOCC 269982a_106256046315_100012232248 [0,1,0,0,0,0|2,0,1]=4 3678 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [0,1,0,0,0,0|3,0,0]=4 3679 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,1,0,0,0,0|3,0,0]=4 3680 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,1,0,0,0,0|3,0,0]=4 3681 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,1,0,0,0,0|2,0,1]=4 3682 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,1,0,0,0,0|2,0,1]=4 3683 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,1,0,0,0,0|2,0,1]=4 3684 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,1,0,0,0,0|2,0,1]=4 3685 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,1,0,0,0,0|1,0,2]=4 3686 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,1,0,0,0,0|1,0,2]=4 3687 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,1,0,0,0,0|1,0,2]=4 3688 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,1,0,0,0,0|1,0,2]=4 3689 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,1,0,0,0,0|1,0,2]=4 3690 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,1,0,0,0,0|1,0,2]=4 3691 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,1,0,0,0,0|0,0,2]=3 3692 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,1,0,0,0,0|0,0,2]=3 3693 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [0,1,0,0,0,0|2,0,1]=4 3694 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [0,1,0,0,0,0|2,0,1]=4 3695 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [0,1,0,0,0,0|2,0,1]=4 3696 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [0,1,0,0,0,0|2,0,1]=4 3697 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [0,1,0,0,0,0|2,0,1]=4 3698 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [0,1,0,0,0,0|2,0,1]=4 3699 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [0,1,0,0,0,0|2,0,1]=4 3700 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [0,1,0,0,0,0|2,0,1]=4 3701 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [0,1,0,0,0,0|2,0,1]=4 3702 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [0,1,0,0,0,0|2,0,1]=4 3703 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [0,1,0,0,0,0|2,0,1]=4 3704 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,1,0,0,0,0|1,0,2]=4 3705 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [0,1,0,0,0,0|2,0,1]=4 3706 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [0,1,0,0,0,0|2,0,1]=4 3707 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [0,1,0,0,0,0|2,0,1]=4 3708 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [0,1,0,0,0,0|2,0,1]=4 3709 B13R0.336 C#CCCCCCCOCCOC=C 34a_100000033082_100012276617 [0,1,0,0,0,0|1,0,2]=4 3710 B13R0.336 C#CCCCCCCOCCOC=C 34a_100011217361_100000039644 [0,1,0,0,0,0|1,0,2]=4 3711 B13R0.336 C#CCCCCCCOCCOC=C 7a_100011217361_100000039644 [0,1,0,0,0,0|1,0,2]=4 3712 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,1,0,0,0,0|1,0,2]=4 3713 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,1,0,0,0,0|1,0,2]=4 3714 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [0,1,0,0,0,0|2,0,1]=4 3715 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [0,1,0,0,0,0|2,0,1]=4 3716 B13R0.336 C#CCCCCCCSCCOC=C 62a_100000039644_100012276617 [0,1,0,0,0,0|1,0,2]=4 3717 B13R0.336 C#CCCCCCCSCCOC=C 62a_100012276617_100000039644 [0,1,0,0,0,0|1,0,2]=4 3718 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [0,1,0,0,0,0|2,0,1]=4 3719 B13R0.336 C#CCCCCCNCCCOC=C 2230a_100000210767_100012094781 [0,1,0,0,0,0|1,0,2]=4 3720 B13R0.336 C#CCCCCCNCCCOC=C 34a_100000210767_100012094781 [0,1,0,0,0,0|1,0,2]=4 3721 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,1,0,0,0,0|1,0,2]=4 3722 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [0,1,0,0,0,0|2,0,1]=4 3723 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [0,1,0,0,0,0|2,0,1]=4 3724 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [0,1,0,0,0,0|2,0,1]=4 3725 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [0,1,0,0,0,0|2,0,1]=4 3726 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,1,0,0,0,0|1,0,2]=4 3727 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,1,0,0,0,0|1,0,2]=4 3728 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [0,1,0,0,0,0|2,0,1]=4 3729 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [0,1,0,0,0,0|2,0,1]=4 3730 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,1,0,0,0,0|1,0,2]=4 3731 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [0,1,0,0,0,0|2,0,1]=4 3732 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [0,1,0,0,0,0|2,0,1]=4 3733 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [0,1,0,0,0,0|2,0,1]=4 3734 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,1,0,0,0,0|1,0,2]=4 3735 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [0,1,0,0,0,0|2,0,1]=4 3736 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [0,1,0,0,0,0|2,0,1]=4 3737 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [0,1,0,0,0,0|2,0,1]=4 3738 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [0,1,0,0,0,0|2,0,1]=4 3739 B13R0.336 C#CCCCCOCCCCOC=C 34a_100000031558_100010269958 [0,1,0,0,0,0|1,0,2]=4 3740 B13R0.336 C#CCCCCOCCCCOC=C 7a_100000031558_100010269958 [0,1,0,0,0,0|1,0,2]=4 3741 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,1,0,0,0,0|1,0,2]=4 3742 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,1,0,0,0,0|1,0,2]=4 3743 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [0,1,0,0,0,0|2,0,1]=4 3744 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [0,1,0,0,0,0|2,0,1]=4 3745 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [0,1,0,0,0,0|2,0,1]=4 3746 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [0,1,0,0,0,0|2,0,1]=4 3747 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [0,1,0,0,0,0|2,0,1]=4 3748 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [0,1,0,0,0,0|2,0,1]=4 3749 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [0,1,0,0,0,0|2,0,1]=4 3750 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [0,1,0,0,0,0|2,0,1]=4 3751 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [0,1,0,0,0,0|2,0,1]=4 3752 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [0,1,0,0,0,0|2,0,1]=4 3753 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [0,1,0,0,0,0|2,0,1]=4 3754 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [0,1,0,0,0,0|2,0,1]=4 3755 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [0,1,0,0,0,0|2,0,1]=4 3756 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [0,1,0,0,0,0|2,0,1]=4 3757 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [0,1,0,0,0,0|2,0,1]=4 3758 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [0,1,0,0,0,0|2,0,1]=4 3759 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [0,1,0,0,0,0|2,0,1]=4 3760 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [0,1,0,0,0,0|2,0,1]=4 3761 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [0,1,0,0,0,0|2,0,1]=4 3762 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [0,1,0,0,0,0|2,0,1]=4 3763 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [0,1,0,0,0,0|2,0,1]=4 3764 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [0,1,0,0,0,0|2,0,1]=4 3765 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [0,1,0,0,0,0|2,0,1]=4 3766 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [0,1,0,0,0,0|1,0,1]=3 3767 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [0,1,0,0,0,0|1,0,1]=3 3768 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [0,1,0,0,0,0|1,0,1]=3 3769 B13R0.336 C#CCOCCCCCCCCCCl 34a_100009868337_100000184674 [0,1,0,0,0,0|2,0,1]=4 3770 B13R0.336 C#CCOCCCCCCCCCCl 7a_100009868337_100000038162 [0,1,0,0,0,0|2,0,1]=4 3771 B13R0.336 C#CCOCCCCCCCCCN 34a_100000078944_100000184674 [0,1,0,0,0,0|2,0,1]=4 3772 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,1,0,0,0,0|2,0,1]=4 3773 B13R0.336 C#CCOCCCCCCOCC=O 34a_200011021349_200009817547 [0,1,0,0,0,0|1,0,2]=4 3774 B13R0.336 C#CCOCCCCCCOCC=O 7a_200011021349_200015260668 [0,1,0,0,0,0|1,0,2]=4 3775 B13R0.336 C#CCOCCCCCCOCCC 34a_200011021349_100000210303 [0,1,0,0,0,0|2,0,1]=4 3776 B13R0.336 C#CCOCCCCCCOCCC 7a_200011021349_100000210303 [0,1,0,0,0,0|2,0,1]=4 3777 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000229938_100010402529 [0,1,0,0,0,0|2,0,1]=4 3778 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000700922_100000210681 [0,1,0,0,0,0|2,0,1]=4 3779 B13R0.336 C#CCOCCNCCCCCCC 34a_100000700922_100000210614 [0,1,0,0,0,0|2,0,1]=4 3780 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,1,0,0,0,0|2,0,1]=4 3781 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,1,0,0,0,0|2,0,1]=4 3782 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,1,0,0,0,0|2,0,1]=4 3783 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,1,0,0,0,0|2,0,1]=4 3784 B13R0.336 C#CCOCCSCCCCCCC 62a_100000210614_100010402529 [0,1,0,0,0,0|2,0,1]=4 3785 B13R0.336 C#CCOCCSCCCCCCC 62a_100010402529_100000210316 [0,1,0,0,0,0|2,0,1]=4 3786 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [0,1,0,0,0,0|1,1,1]=4 3787 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,1,0,0,0,0|2,0,0]=3 3788 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,1,0,0,0,0|3,0,0]=4 3789 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,1,0,0,0,0|3,0,0]=4 3790 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,1,0,0,0,0|2,0,0]=3 3791 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,1,0,0,0,0|3,0,0]=4 3792 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,1,0,0,0,0|3,0,0]=4 3793 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,1,0,0,0,0|3,0,0]=4 3794 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,1,0,0,0,0|2,0,0]=3 3795 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,1,0,0,0,0|2,0,0]=3 3796 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,1,0,0,0,0|2,0,0]=3 3797 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,1,0,0,0,0|3,0,0]=4 3798 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,1,0,0,0,0|3,0,0]=4 3799 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,1,0,0,0,0|3,0,0]=4 3800 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,1,0,0,0,0|3,0,0]=4 3801 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [0,1,0,0,0,0|3,0,0]=4 3802 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [0,1,0,0,0,0|3,0,0]=4 3803 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [0,1,0,0,0,0|3,0,0]=4 3804 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [0,1,0,0,0,0|3,0,0]=4 3805 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [0,1,0,0,0,0|3,0,0]=4 3806 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,1,0,0,0,0|3,0,0]=4 3807 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,1,0,0,0,0|3,0,0]=4 3808 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,1,0,0,0,0|2,0,0]=3 3809 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,1,0,0,0,0|2,0,0]=3 3810 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,1,0,0,0,0|2,0,0]=3 3811 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,1,0,0,0,0|2,0,0]=3 3812 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,1,0,0,0,0|2,0,0]=3 3813 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,1,0,0,0,0|2,0,0]=3 3814 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,1,0,0,0,0|2,0,0]=3 3815 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,1,0,0,0,0|3,0,0]=4 3816 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,1,0,0,0,0|2,0,0]=3 3817 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,1,0,0,0,0|2,0,0]=3 3818 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,1,0,0,0,0|2,0,0]=3 3819 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,1,0,0,0,0|1,0,2]=4 3820 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,1,0,0,0,0|1,0,2]=4 3821 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,1,0,0,0,0|3,0,0]=4 3822 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,1,0,0,0,0|3,0,0]=4 3823 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,1,0,0,0,0|3,0,0]=4 3824 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,1,0,0,0,0|3,0,0]=4 3825 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,1,0,0,0,0|3,0,0]=4 3826 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,1,0,0,0,0|1,0,2]=4 3827 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,1,0,0,0,0|1,0,2]=4 3828 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,1,0,0,0,0|1,0,2]=4 3829 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,1,0,0,0,0|0,0,2]=3 3830 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,1,0,0,0,0|0,0,2]=3 3831 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,1,0,0,0,0|3,0,0]=4 3832 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,1,0,0,0,0|2,0,0]=3 3833 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,1,0,0,0,0|2,0,0]=3 3834 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,1,0,0,0,0|2,0,0]=3 3835 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,1,0,0,0,0|3,0,0]=4 3836 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,1,0,0,0,0|3,0,0]=4 3837 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,1,0,0,0,0|3,0,0]=4 3838 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,1,0,0,0,0|3,0,0]=4 3839 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,1,0,0,0,0|3,0,0]=4 3840 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,1,0,0,0,0|3,0,0]=4 3841 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,1,0,0,0,0|0,1,2]=4 3842 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,1,0,0,0,0|0,1,2]=4 3843 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,1,0,0,0,0|3,0,0]=4 3844 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,1,0,0,0,0|3,0,0]=4 3845 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,1,0,0,0,0|3,0,0]=4 3846 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,1,0,0,0,0|3,0,0]=4 3847 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,1,0,0,0,0|3,0,0]=4 3848 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,1,0,0,0,0|3,0,0]=4 3849 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,1,0,0,0,0|3,0,0]=4 3850 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,1,0,0,0,0|3,0,0]=4 3851 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,1,0,0,0,0|2,0,0]=3 3852 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,1,0,0,0,0|2,0,0]=3 3853 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,1,0,0,0,0|3,0,0]=4 3854 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,1,0,0,0,0|3,0,0]=4 3855 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,1,0,0,0,0|3,0,0]=4 3856 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,1,0,0,0,0|3,0,0]=4 3857 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,1,0,0,0,0|3,0,0]=4 3858 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,1,0,0,0,0|2,0,0]=3 3859 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,1,0,0,0,0|2,0,0]=3 3860 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,1,0,0,0,0|2,0,0]=3 3861 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,1,0,0,0,0|2,0,0]=3 3862 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,1,0,0,0,0|3,0,0]=4 3863 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,1,0,0,0,0|3,0,0]=4 3864 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,1,0,0,0,0|3,0,0]=4 3865 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,1,0,0,0,0|3,0,0]=4 3866 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,1,0,0,0,0|3,0,0]=4 3867 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,1,0,0,0,0|3,0,0]=4 3868 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,1,0,0,0,0|3,0,0]=4 3869 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,1,0,0,0,0|3,0,0]=4 3870 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,1,0,0,0,0|3,0,0]=4 3871 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,1,0,0,0,0|3,0,0]=4 3872 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,1,0,0,0,0|3,0,0]=4 3873 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,1,0,0,0,0|3,0,0]=4 3874 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,1,0,0,0,0|3,0,0]=4 3875 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,1,0,0,0,0|3,0,0]=4 3876 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,1,0,0,0,0|3,0,0]=4 3877 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,1,0,0,0,0|3,0,0]=4 3878 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,1,0,0,0,0|3,0,0]=4 3879 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,1,0,0,0,0|3,0,0]=4 3880 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,1,0,0,0,0|3,0,0]=4 3881 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,1,0,0,0,0|3,0,0]=4 3882 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,1,0,0,0,0|3,0,0]=4 3883 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,1,0,0,0,0|3,0,0]=4 3884 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,1,0,0,0,0|3,0,0]=4 3885 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,1,0,0,0,0|3,0,0]=4 3886 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,1,0,0,0,0|2,0,0]=3 3887 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,1,0,0,0,0|3,0,0]=4 3888 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,1,0,0,0,0|3,0,0]=4 3889 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,1,0,0,0,0|3,0,0]=4 3890 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,1,0,0,0,0|3,0,0]=4 3891 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,1,0,0,0,0|3,0,0]=4 3892 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,1,0,0,0,0|3,0,0]=4 3893 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,1,0,0,0,0|3,0,0]=4 3894 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,1,0,0,0,0|1,0,2]=4 3895 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,1,0,0,0,0|3,0,0]=4 3896 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,1,0,0,0,0|2,0,0]=3 3897 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,1,0,0,0,0|2,0,0]=3 3898 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,1,0,0,0,0|2,0,0]=3 3899 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,1,0,0,0,0|2,0,0]=3 3900 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,1,0,0,0,0|3,0,0]=4 3901 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,1,0,0,0,0|3,0,0]=4 3902 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,1,0,0,0,0|3,0,0]=4 3903 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,1,0,0,0,0|3,0,0]=4 3904 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,1,0,0,0,0|3,0,0]=4 3905 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,1,0,0,0,0|3,0,0]=4 3906 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,1,0,0,0,0|3,0,0]=4 3907 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,1,0,0,0,0|3,0,0]=4 3908 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,1,0,0,0,0|3,0,0]=4 3909 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,1,0,0,0,0|3,0,0]=4 3910 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,1,0,0,0,0|3,0,0]=4 3911 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,1,0,0,0,0|3,0,0]=4 3912 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,1,0,0,0,0|3,0,0]=4 3913 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,1,0,0,0,0|3,0,0]=4 3914 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,1,0,0,0,0|3,0,0]=4 3915 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,1,0,0,0,0|3,0,0]=4 3916 B13R0.336 C=CCCCCCCOCCOC=C 34a_100000033082_100011215473 [0,1,0,0,0,0|1,0,2]=4 3917 B13R0.336 C=CCCCCCCOCCOC=C 34a_200011216477_100000039644 [0,1,0,0,0,0|1,0,2]=4 3918 B13R0.336 C=CCCCCCCOCCOC=C 7a_200011216477_100000039644 [0,1,0,0,0,0|1,0,2]=4 3919 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,1,0,0,0,0|3,0,0]=4 3920 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,1,0,0,0,0|3,0,0]=4 3921 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,1,0,0,0,0|3,0,0]=4 3922 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,1,0,0,0,0|3,0,0]=4 3923 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,1,0,0,0,0|3,0,0]=4 3924 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,1,0,0,0,0|3,0,0]=4 3925 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,1,0,0,0,0|3,0,0]=4 3926 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,1,0,0,0,0|3,0,0]=4 3927 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,1,0,0,0,0|1,0,2]=4 3928 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,1,0,0,0,0|1,0,2]=4 3929 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,1,0,0,0,0|3,0,0]=4 3930 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,1,0,0,0,0|3,0,0]=4 3931 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,1,0,0,0,0|3,0,0]=4 3932 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,1,0,0,0,0|3,0,0]=4 3933 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,1,0,0,0,0|3,0,0]=4 3934 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,1,0,0,0,0|3,0,0]=4 3935 B13R0.336 C=CCCCCCCSCCOC=C 62a_100000039644_100011215473 [0,1,0,0,0,0|1,0,2]=4 3936 B13R0.336 C=CCCCCCCSCCOC=C 62a_100011215473_100000039644 [0,1,0,0,0,0|1,0,2]=4 3937 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,1,0,0,0,0|3,0,0]=4 3938 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,1,0,0,0,0|3,0,0]=4 3939 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,1,0,0,0,0|3,0,0]=4 3940 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,1,0,0,0,0|3,0,0]=4 3941 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,1,0,0,0,0|2,0,0]=3 3942 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,1,0,0,0,0|3,0,0]=4 3943 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,1,0,0,0,0|3,0,0]=4 3944 B13R0.336 C=CCCCCCNCCCOC=C 2230a_100000210767_100000700193 [0,1,0,0,0,0|1,0,2]=4 3945 B13R0.336 C=CCCCCCNCCCOC=C 34a_100000210767_100000700193 [0,1,0,0,0,0|1,0,2]=4 3946 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,1,0,0,0,0|3,0,0]=4 3947 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,1,0,0,0,0|3,0,0]=4 3948 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,1,0,0,0,0|3,0,0]=4 3949 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,1,0,0,0,0|3,0,0]=4 3950 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,1,0,0,0,0|3,0,0]=4 3951 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,1,0,0,0,0|1,0,2]=4 3952 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,1,0,0,0,0|3,0,0]=4 3953 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,1,0,0,0,0|3,0,0]=4 3954 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,1,0,0,0,0|2,0,0]=3 3955 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,1,0,0,0,0|2,0,0]=3 3956 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,1,0,0,0,0|2,0,0]=3 3957 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,1,0,0,0,0|2,0,0]=3 3958 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,1,0,0,0,0|3,0,0]=4 3959 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,1,0,0,0,0|3,0,0]=4 3960 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,1,0,0,0,0|3,0,0]=4 3961 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,1,0,0,0,0|3,0,0]=4 3962 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,1,0,0,0,0|3,0,0]=4 3963 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,1,0,0,0,0|3,0,0]=4 3964 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,1,0,0,0,0|3,0,0]=4 3965 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,1,0,0,0,0|3,0,0]=4 3966 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,1,0,0,0,0|3,0,0]=4 3967 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,1,0,0,0,0|3,0,0]=4 3968 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,1,0,0,0,0|3,0,0]=4 3969 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,1,0,0,0,0|3,0,0]=4 3970 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,1,0,0,0,0|3,0,0]=4 3971 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,1,0,0,0,0|3,0,0]=4 3972 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,1,0,0,0,0|3,0,0]=4 3973 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,1,0,0,0,0|3,0,0]=4 3974 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,1,0,0,0,0|3,0,0]=4 3975 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,1,0,0,0,0|3,0,0]=4 3976 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,1,0,0,0,0|3,0,0]=4 3977 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,1,0,0,0,0|3,0,0]=4 3978 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,1,0,0,0,0|3,0,0]=4 3979 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,1,0,0,0,0|3,0,0]=4 3980 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,1,0,0,0,0|3,0,0]=4 3981 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,1,0,0,0,0|3,0,0]=4 3982 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,1,0,0,0,0|3,0,0]=4 3983 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,1,0,0,0,0|3,0,0]=4 3984 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,1,0,0,0,0|3,0,0]=4 3985 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,1,0,0,0,0|1,0,2]=4 3986 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,1,0,0,0,0|1,0,2]=4 3987 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,1,0,0,0,0|3,0,0]=4 3988 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,1,0,0,0,0|3,0,0]=4 3989 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,1,0,0,0,0|3,0,0]=4 3990 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,1,0,0,0,0|3,0,0]=4 3991 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,1,0,0,0,0|3,0,0]=4 3992 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,1,0,0,0,0|3,0,0]=4 3993 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,1,0,0,0,0|3,0,0]=4 3994 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,1,0,0,0,0|3,0,0]=4 3995 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,1,0,0,0,0|3,0,0]=4 3996 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,1,0,0,0,0|3,0,0]=4 3997 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,1,0,0,0,0|3,0,0]=4 3998 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,1,0,0,0,0|3,0,0]=4 3999 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,1,0,0,0,0|1,0,2]=4 4000 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,1,0,0,0,0|2,0,0]=3 4001 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,1,0,0,0,0|2,0,0]=3 4002 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,1,0,0,0,0|2,0,0]=3 4003 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,1,0,0,0,0|3,0,0]=4 4004 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,1,0,0,0,0|3,0,0]=4 4005 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,1,0,0,0,0|3,0,0]=4 4006 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,1,0,0,0,0|3,0,0]=4 4007 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,1,0,0,0,0|3,0,0]=4 4008 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,1,0,0,0,0|3,0,0]=4 4009 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,1,0,0,0,0|3,0,0]=4 4010 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,1,0,0,0,0|3,0,0]=4 4011 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,1,0,0,0,0|3,0,0]=4 4012 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,1,0,0,0,0|3,0,0]=4 4013 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,1,0,0,0,0|3,0,0]=4 4014 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,1,0,0,0,0|3,0,0]=4 4015 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,1,0,0,0,0|3,0,0]=4 4016 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,1,0,0,0,0|1,0,2]=4 4017 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,1,0,0,0,0|3,0,0]=4 4018 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,1,0,0,0,0|3,0,0]=4 4019 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,1,0,0,0,0|2,0,0]=3 4020 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,1,0,0,0,0|2,0,0]=3 4021 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,1,0,0,0,0|2,0,0]=3 4022 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,1,0,0,0,0|2,0,0]=3 4023 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,1,0,0,0,0|3,0,0]=4 4024 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,1,0,0,0,0|3,0,0]=4 4025 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,1,0,0,0,0|3,0,0]=4 4026 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,1,0,0,0,0|3,0,0]=4 4027 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,1,0,0,0,0|3,0,0]=4 4028 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,1,0,0,0,0|3,0,0]=4 4029 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,1,0,0,0,0|3,0,0]=4 4030 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,1,0,0,0,0|3,0,0]=4 4031 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,1,0,0,0,0|3,0,0]=4 4032 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,1,0,0,0,0|3,0,0]=4 4033 B13R0.336 C=CCCCCOCCCCOC=C 34a_100000031558_100011215482 [0,1,0,0,0,0|1,0,2]=4 4034 B13R0.336 C=CCCCCOCCCCOC=C 7a_100000031558_100011215482 [0,1,0,0,0,0|1,0,2]=4 4035 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,1,0,0,0,0|3,0,0]=4 4036 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,1,0,0,0,0|3,0,0]=4 4037 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,1,0,0,0,0|3,0,0]=4 4038 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,1,0,0,0,0|3,0,0]=4 4039 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,1,0,0,0,0|3,0,0]=4 4040 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,1,0,0,0,0|3,0,0]=4 4041 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,1,0,0,0,0|1,0,2]=4 4042 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,1,0,0,0,0|1,0,2]=4 4043 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,1,0,0,0,0|3,0,0]=4 4044 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,1,0,0,0,0|3,0,0]=4 4045 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,1,0,0,0,0|3,0,0]=4 4046 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,1,0,0,0,0|3,0,0]=4 4047 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,1,0,0,0,0|3,0,0]=4 4048 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,1,0,0,0,0|3,0,0]=4 4049 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,1,0,0,0,0|2,0,0]=3 4050 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,1,0,0,0,0|2,0,0]=3 4051 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,1,0,0,0,0|2,0,0]=3 4052 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,1,0,0,0,0|2,0,0]=3 4053 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,1,0,0,0,0|3,0,0]=4 4054 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,1,0,0,0,0|3,0,0]=4 4055 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,1,0,0,0,0|3,0,0]=4 4056 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,1,0,0,0,0|3,0,0]=4 4057 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,1,0,0,0,0|3,0,0]=4 4058 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,1,0,0,0,0|3,0,0]=4 4059 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,1,0,0,0,0|3,0,0]=4 4060 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,1,0,0,0,0|3,0,0]=4 4061 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,1,0,0,0,0|3,0,0]=4 4062 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,1,0,0,0,0|3,0,0]=4 4063 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,1,0,0,0,0|2,0,0]=3 4064 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,1,0,0,0,0|2,0,0]=3 4065 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,1,0,0,0,0|2,0,0]=3 4066 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,1,0,0,0,0|2,0,0]=3 4067 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,1,0,0,0,0|3,0,0]=4 4068 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,1,0,0,0,0|3,0,0]=4 4069 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,1,0,0,0,0|3,0,0]=4 4070 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,1,0,0,0,0|3,0,0]=4 4071 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,1,0,0,0,0|3,0,0]=4 4072 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,1,0,0,0,0|3,0,0]=4 4073 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,1,0,0,0,0|3,0,0]=4 4074 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,1,0,0,0,0|3,0,0]=4 4075 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,1,0,0,0,0|3,0,0]=4 4076 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,1,0,0,0,0|3,0,0]=4 4077 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,1,0,0,0,0|3,0,0]=4 4078 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,1,0,0,0,0|3,0,0]=4 4079 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,1,0,0,0,0|3,0,0]=4 4080 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,1,0,0,0,0|3,0,0]=4 4081 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,1,0,0,0,0|3,0,0]=4 4082 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,1,0,0,0,0|3,0,0]=4 4083 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,1,0,0,0,0|2,0,0]=3 4084 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,1,0,0,0,0|2,0,0]=3 4085 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,1,0,0,0,0|2,0,0]=3 4086 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,1,0,0,0,0|3,0,0]=4 4087 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,1,0,0,0,0|3,0,0]=4 4088 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,1,0,0,0,0|3,0,0]=4 4089 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,1,0,0,0,0|3,0,0]=4 4090 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,1,0,0,0,0|3,0,0]=4 4091 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,1,0,0,0,0|2,0,0]=3 4092 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,1,0,0,0,0|2,0,0]=3 4093 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,1,0,0,0,0|2,0,0]=3 4094 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,1,0,0,0,0|3,0,0]=4 4095 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,1,0,0,0,0|3,0,0]=4 4096 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,1,0,0,0,0|3,0,0]=4 4097 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,1,0,0,0,0|3,0,0]=4 4098 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,1,0,0,0,0|3,0,0]=4 4099 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,1,0,0,0,0|3,0,0]=4 4100 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,1,0,0,0,0|3,0,0]=4 4101 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,1,0,0,0,0|3,0,0]=4 4102 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,1,0,0,0,0|3,0,0]=4 4103 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,1,0,0,0,0|3,0,0]=4 4104 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,1,0,0,0,0|3,0,0]=4 4105 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,1,0,0,0,0|2,0,0]=3 4106 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,1,0,0,0,0|2,0,0]=3 4107 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,1,0,0,0,0|2,0,0]=3 4108 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,1,0,0,0,0|3,0,0]=4 4109 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,1,0,0,0,0|3,0,0]=4 4110 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,1,0,0,0,0|3,0,0]=4 4111 B13R0.336 C=CCOCC#CCCCCCCC 34a_200000061759_100015514636 [0,1,0,0,0,0|1,0,2]=4 4112 B13R0.336 C=CCOCC#CCCCCCCC 7a_200000061759_100015514636 [0,1,0,0,0,0|1,0,2]=4 4113 B13R0.336 C=CCOCCC#CCCCCCC 34a_200000033163_100015514636 [0,1,0,0,0,0|1,0,2]=4 4114 B13R0.336 C=CCOCCC#CCCCCCC 7a_200000033163_100015514636 [0,1,0,0,0,0|1,0,2]=4 4115 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [0,1,0,0,0,0|1,0,2]=4 4116 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [0,1,0,0,0,0|1,0,2]=4 4117 B13R0.336 C=CCOCCCC/C=C/CCCC 34a_200020645093_100015514636 [0,1,0,0,0,0|1,0,2]=4 4118 B13R0.336 C=CCOCCCC/C=C/CCCC 7a_200020645093_100015514636 [0,1,0,0,0,0|1,0,2]=4 4119 B13R0.336 C=CCOCCCCC#CCCCC 34a_200000066234_100015514636 [0,1,0,0,0,0|1,0,2]=4 4120 B13R0.336 C=CCOCCCCC#CCCCC 7a_200000066234_100015514636 [0,1,0,0,0,0|1,0,2]=4 4121 B13R0.336 C=CCOCCCCCCC#CCC 34a_200000210373_200000036426 [0,1,0,0,0,0|1,0,2]=4 4122 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,1,0,0,0,0|2,0,0]=3 4123 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,1,0,0,0,0|2,0,0]=3 4124 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,1,0,0,0,0|1,0,0]=2 4125 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,1,0,0,0,0|1,0,0]=2 4126 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,1,0,0,0,0|1,0,0]=2 4127 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,1,0,0,0,0|2,0,0]=3 4128 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,1,0,0,0,0|2,0,0]=3 4129 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,1,0,0,0,0|2,0,0]=3 4130 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,1,0,0,0,0|2,0,0]=3 4131 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,1,0,0,0,0|2,0,0]=3 4132 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,1,0,0,0,0|2,0,0]=3 4133 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,1,0,0,0,0|3,0,0]=4 4134 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,1,0,0,0,0|3,0,0]=4 4135 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,1,0,0,0,0|3,0,0]=4 4136 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,1,0,0,0,0|3,0,0]=4 4137 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,1,0,0,0,0|3,0,0]=4 4138 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,1,0,0,0,0|3,0,0]=4 4139 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,1,0,0,0,0|3,0,0]=4 4140 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,1,0,0,0,0|3,0,0]=4 4141 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,1,0,0,0,0|3,0,0]=4 4142 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,1,0,0,0,0|3,0,0]=4 4143 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,1,0,0,0,0|2,1,0]=4 4144 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,1,0,0,0,0|2,1,0]=4 4145 B13R0.336 C=COCCCCOCC/C=C\CC 34a_100000031558_100015370543 [0,1,0,0,0,0|1,0,2]=4 4146 B13R0.336 C=COCCCCOCC/C=C\CC 7a_100000031558_100015370543 [0,1,0,0,0,0|1,0,2]=4 4147 B13R0.336 C=COCCCCOCCCCC#N 7a_100000031558_100000211819 [0,1,0,0,0,0|2,0,1]=4 4148 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,1,0,0,0,0|2,0,1]=4 4149 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,1,0,0,0,0|1,0,0]=2 4150 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,1,0,0,0,0|1,0,0]=2 4151 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,1,0,0,0,0|2,0,0]=3 4152 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,1,0,0,0,0|2,0,0]=3 4153 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,1,0,0,0,0|2,0,0]=3 4154 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,1,0,0,0,0|2,0,0]=3 4155 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,1,0,0,0,0|2,0,0]=3 4156 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,1,0,0,0,0|2,0,0]=3 4157 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,1,0,0,0,0|2,0,0]=3 4158 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,1,0,0,0,0|2,0,0]=3 4159 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,1,0,0,0,0|2,0,0]=3 4160 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,1,0,0,0,0|2,0,0]=3 4161 B13R0.336 C=COCCCCOCCOCCO 34a_100000031558_100000692535 [0,1,0,0,0,0|3,0,0]=4 4162 B13R0.336 C=COCCCCOCCOCCO 7a_100000031558_100011215305 [0,1,0,0,0,0|3,0,0]=4 4163 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,1,0,0,0,0|2,0,0]=3 4164 B13R0.336 C=COCCCNCCCCCC#N 2230a_100000210767_100009813376 [0,1,0,0,0,0|2,0,1]=4 4165 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,1,0,0,0,0|2,0,1]=4 4166 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,1,0,0,0,0|1,0,0]=2 4167 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,1,0,0,0,0|1,0,0]=2 4168 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,1,0,0,0,0|2,0,0]=3 4169 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,1,0,0,0,0|2,0,0]=3 4170 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,1,0,0,0,0|2,0,0]=3 4171 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,1,0,0,0,0|2,0,0]=3 4172 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,1,0,0,0,0|2,0,0]=3 4173 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,1,0,0,0,0|2,0,0]=3 4174 B13R0.336 C=COCCCNCCOCCOC 2230a_100000210767_100000695917 [0,1,0,0,0,0|3,0,0]=4 4175 B13R0.336 C=COCCCNCCOCCOC 34a_100000210767_100000695917 [0,1,0,0,0,0|3,0,0]=4 4176 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,1,0,0,0,0|1,0,0]=2 4177 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,1,0,0,0,0|1,0,0]=2 4178 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,1,0,0,0,0|2,0,0]=3 4179 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,1,0,0,0,0|2,0,0]=3 4180 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,1,0,0,0,0|2,0,0]=3 4181 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,1,0,0,0,0|2,0,0]=3 4182 B13R0.336 C=COCCNCCCOCCCO 2230a_100011310245_100000039644 [0,1,0,0,0,0|3,0,0]=4 4183 B13R0.336 C=COCCNCCCOCCCO 34a_100011310245_100000039644 [0,1,0,0,0,0|3,0,0]=4 4184 B13R0.336 C=COCCNCCCOCCOC 2230a_100000206027_100000039644 [0,1,0,0,0,0|3,0,0]=4 4185 B13R0.336 C=COCCNCCCOCCOC 34a_100000206027_100000039644 [0,1,0,0,0,0|3,0,0]=4 4186 B13R0.336 C=COCCNCCOCCOCC 2230a_100102712874_100000039644 [0,1,0,0,0,0|3,0,0]=4 4187 B13R0.336 C=COCCNCCOCCOCC 34a_100102712874_100000039644 [0,1,0,0,0,0|3,0,0]=4 4188 B13R0.336 C=COCCOC/C=C/CCCCC 34a_100016258190_100000039644 [0,1,0,0,0,0|1,0,2]=4 4189 B13R0.336 C=COCCOC/C=C/CCCCC 7a_100016258190_100000039644 [0,1,0,0,0,0|1,0,2]=4 4190 B13R0.336 C=COCCOCC#CCCCCC 34a_100000033082_100009816472 [0,1,0,0,0,0|1,0,2]=4 4191 B13R0.336 C=COCCOCC#CCCCCC 34a_200000033628_100000039644 [0,1,0,0,0,0|1,0,2]=4 4192 B13R0.336 C=COCCOCC#CCCCCC 7a_200000033628_100000039644 [0,1,0,0,0,0|1,0,2]=4 4193 B13R0.336 C=COCCOCC/C=C\CCCC 34a_200016286491_100000039644 [0,1,0,0,0,0|1,0,2]=4 4194 B13R0.336 C=COCCOCC/C=C\CCCC 7a_200016286491_100000039644 [0,1,0,0,0,0|1,0,2]=4 4195 B13R0.336 C=COCCOCCC#CCCCC 34a_100000037610_100000039644 [0,1,0,0,0,0|1,0,2]=4 4196 B13R0.336 C=COCCOCCC#CCCCC 7a_100000037610_100000039644 [0,1,0,0,0,0|1,0,2]=4 4197 B13R0.336 C=COCCOCCCC/C=C\CC 34a_100016287862_100000039644 [0,1,0,0,0,0|1,0,2]=4 4198 B13R0.336 C=COCCOCCCC/C=C\CC 7a_100016287862_100000039644 [0,1,0,0,0,0|1,0,2]=4 4199 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,1,0,0,0,0|2,0,0]=3 4200 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,1,0,0,0,0|2,0,0]=3 4201 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,1,0,0,0,0|1,0,0]=2 4202 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,1,0,0,0,0|1,0,0]=2 4203 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,1,0,0,0,0|1,0,0]=2 4204 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,1,0,0,0,0|2,0,0]=3 4205 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,1,0,0,0,0|2,0,0]=3 4206 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,1,0,0,0,0|2,0,0]=3 4207 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,1,0,0,0,0|2,0,0]=3 4208 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,1,0,0,0,0|2,0,0]=3 4209 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,1,0,0,0,0|2,0,0]=3 4210 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,1,0,0,0,0|2,0,0]=3 4211 B13R0.336 C=COCCOCCCOCCCN 34a_100011310245_100000039644 [0,1,0,0,0,0|3,0,0]=4 4212 B13R0.336 C=COCCOCCCOCCOC 34a_100000033082_100011216529 [0,1,0,0,0,0|3,0,0]=4 4213 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,1,0,0,0,0|2,0,0]=3 4214 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,1,0,0,0,0|2,0,0]=3 4215 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,1,0,0,0,0|2,0,0]=3 4216 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,1,0,0,0,0|2,0,0]=3 4217 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,1,0,0,0,0|2,0,0]=3 4218 B13R0.336 C=COCCOCCOCCCCF 34a_100000039918_100000729493 [0,1,0,0,0,0|3,0,0]=4 4219 B13R0.336 C=COCCOCCOCCCCF 7a_100000039918_100000729493 [0,1,0,0,0,0|3,0,0]=4 4220 B13R0.336 C=COCCOCCOCCCCO 34a_100000039918_100011216708 [0,1,0,0,0,0|3,0,0]=4 4221 B13R0.336 C=COCCOCCOCCCCO 7a_100000039918_100000210776 [0,1,0,0,0,0|3,0,0]=4 4222 B13R0.336 C=COCCOCCOCCCOC 34a_100000039918_100000740836 [0,1,0,0,0,0|3,0,0]=4 4223 B13R0.336 C=COCCOCCOCCCOC 7a_100000039918_100000740836 [0,1,0,0,0,0|3,0,0]=4 4224 B13R0.336 C=COCCOCCOCCOCC 34a_100000033082_100011211534 [0,1,0,0,0,0|3,0,0]=4 4225 B13R0.336 C=COCCOCCOCCOCC 34a_100000039918_100000210147 [0,1,0,0,0,0|3,0,0]=4 4226 B13R0.336 C=COCCOCCOCCOCC 34a_100000210240_100000039644 [0,1,0,0,0,0|3,0,0]=4 4227 B13R0.336 C=COCCOCCOCCOCC 7a_100000039918_100011215890 [0,1,0,0,0,0|3,0,0]=4 4228 B13R0.336 C=COCCOCCOCCOCC 7a_100000210240_100000039644 [0,1,0,0,0,0|3,0,0]=4 4229 B13R0.336 C=COCCOCCOCCSCC 34a_100000039918_100000757381 [0,1,0,0,0,0|3,0,0]=4 4230 B13R0.336 C=COCCOCCOCCSCC 7a_100000039918_100000757381 [0,1,0,0,0,0|3,0,0]=4 4231 B13R0.336 C=COCCSCC#CCCCCC 62a_100000039644_100009816472 [0,1,0,0,0,0|1,0,2]=4 4232 B13R0.336 C=COCCSCC#CCCCCC 62a_100009816472_100000039644 [0,1,0,0,0,0|1,0,2]=4 4233 B13R0.336 C=COCCSCCCCCCC#N 62a_100000039644_100009813337 [0,1,0,0,0,0|2,0,1]=4 4234 B13R0.336 C=COCCSCCCCCCC#N 62a_100009813337_100000039644 [0,1,0,0,0,0|2,0,1]=4 4235 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,1,0,0,0,0|1,0,0]=2 4236 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,1,0,0,0,0|1,0,0]=2 4237 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,1,0,0,0,0|2,0,0]=3 4238 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,1,0,0,0,0|2,0,0]=3 4239 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,1,0,0,0,0|2,0,0]=3 4240 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,1,0,0,0,0|2,0,0]=3 4241 B13R0.336 C=COCCSCCCOCCOC 62a_100000039644_100011216529 [0,1,0,0,0,0|3,0,0]=4 4242 B13R0.336 C=COCCSCCCOCCOC 62a_100011216529_100000039644 [0,1,0,0,0,0|3,0,0]=4 4243 B13R0.336 C=COCCSCCOCCOCC 62a_100000039644_100011211534 [0,1,0,0,0,0|3,0,0]=4 4244 B13R0.336 C=COCCSCCOCCOCC 62a_100011211534_100000039644 [0,1,0,0,0,0|3,0,0]=4 4245 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [0,1,0,0,0,0|2,0,1]=4 4246 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [0,1,0,0,0,0|2,0,1]=4 4247 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [0,1,0,0,0,0|2,0,1]=4 4248 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [0,1,0,0,0,0|2,0,1]=4 4249 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [0,1,0,0,0,0|2,0,1]=4 4250 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [0,1,0,0,0,0|2,0,1]=4 4251 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [0,1,0,0,0,0|2,0,1]=4 4252 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [0,1,0,0,0,0|2,0,1]=4 4253 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [0,1,0,0,0,0|2,0,1]=4 4254 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,1,0,0,0,0|1,0,2]=4 4255 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,1,0,0,0,0|3,0,0]=4 4256 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,1,0,0,0,0|3,0,0]=4 4257 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,1,0,0,0,0|3,0,0]=4 4258 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,1,0,0,0,0|3,0,0]=4 4259 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,1,0,0,0,0|3,0,0]=4 4260 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,1,0,0,0,0|3,0,0]=4 4261 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,1,0,0,0,0|1,0,2]=4 4262 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,1,0,0,0,0|3,0,0]=4 4263 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,1,0,0,0,0|3,0,0]=4 4264 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,1,0,0,0,0|3,0,0]=4 4265 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,1,0,0,0,0|1,0,2]=4 4266 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,1,0,0,0,0|3,0,0]=4 4267 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,1,0,0,0,0|3,0,0]=4 4268 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,1,0,0,0,0|3,0,0]=4 4269 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,1,0,0,0,0|3,0,0]=4 4270 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,1,0,0,0,0|1,0,2]=4 4271 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,1,0,0,0,0|1,0,2]=4 4272 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,1,0,0,0,0|3,0,0]=4 4273 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,1,0,0,0,0|3,0,0]=4 4274 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,1,0,0,0,0|3,0,0]=4 4275 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,1,0,0,0,0|3,0,0]=4 4276 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,1,0,0,0,0|3,0,0]=4 4277 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [0,1,0,0,0,0|2,0,1]=4 4278 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,1,0,0,0,0|2,0,0]=3 4279 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,1,0,0,0,0|3,0,0]=4 4280 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,1,0,0,0,0|3,0,0]=4 4281 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,1,0,0,0,0|3,0,0]=4 4282 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,1,0,0,0,0|2,0,0]=3 4283 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,1,0,0,0,0|2,0,0]=3 4284 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,1,0,0,0,0|3,0,0]=4 4285 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,1,0,0,0,0|3,0,0]=4 4286 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,1,0,0,0,0|3,0,0]=4 4287 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,1,0,0,0,0|3,0,0]=4 4288 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,1,0,0,0,0|2,0,0]=3 4289 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,1,0,0,0,0|2,0,0]=3 4290 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,1,0,0,0,0|3,0,0]=4 4291 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,1,0,0,0,0|3,0,0]=4 4292 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,1,0,0,0,0|3,0,0]=4 4293 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [0,1,0,0,0,0|3,0,0]=4 4294 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [0,1,0,0,0,0|3,0,0]=4 4295 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [0,1,0,0,0,0|3,0,0]=4 4296 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [0,1,0,0,0,0|3,0,0]=4 4297 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [0,1,0,0,0,0|3,0,0]=4 4298 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,1,0,0,0,0|3,0,0]=4 4299 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,1,0,0,0,0|3,0,0]=4 4300 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [0,1,0,0,0,0|0,1,2]=4 4301 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [0,1,0,0,0,0|0,1,2]=4 4302 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [0,1,0,0,0,0|1,0,2]=4 4303 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [0,1,0,0,0,0|1,0,2]=4 4304 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [0,1,0,0,0,0|1,0,2]=4 4305 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [0,1,0,0,0,0|1,0,2]=4 4306 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [0,1,0,0,0,0|0,0,2]=3 4307 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [0,1,0,0,0,0|0,0,2]=3 4308 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [0,1,0,0,0,0|1,0,2]=4 4309 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [0,1,0,0,0,0|1,0,2]=4 4310 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [0,1,0,0,0,0|0,0,2]=3 4311 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [0,1,0,0,0,0|0,0,2]=3 4312 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [0,1,0,0,0,0|1,0,2]=4 4313 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [0,1,0,0,0,0|1,0,2]=4 4314 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [0,1,0,0,0,0|1,0,2]=4 4315 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [0,1,0,0,0,0|0,0,2]=3 4316 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [0,1,0,0,0,0|0,0,2]=3 4317 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [0,1,0,0,0,0|1,0,2]=4 4318 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [0,1,0,0,0,0|1,0,2]=4 4319 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [0,1,0,0,0,0|1,0,2]=4 4320 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [0,1,0,0,0,0|0,0,2]=3 4321 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [0,1,0,0,0,0|0,0,2]=3 4322 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [0,1,0,0,0,0|0,0,2]=3 4323 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [0,1,0,0,0,0|0,0,2]=3 4324 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [0,1,0,0,0,0|1,0,2]=4 4325 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [0,1,0,0,0,0|1,0,2]=4 4326 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [0,1,0,0,0,0|1,0,2]=4 4327 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [0,1,0,0,0,0|1,0,2]=4 4328 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [0,1,0,0,0,0|2,0,1]=4 4329 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [0,1,0,0,0,0|2,0,1]=4 4330 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [0,1,0,0,0,0|2,0,1]=4 4331 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [0,1,0,0,0,0|2,0,1]=4 4332 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [0,1,0,0,0,0|2,0,1]=4 4333 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [0,1,0,0,0,0|2,0,1]=4 4334 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [0,1,0,0,0,0|2,0,1]=4 4335 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [0,1,0,0,0,0|2,0,1]=4 4336 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,1,0,0,0,0|1,0,2]=4 4337 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,1,0,0,0,0|1,0,2]=4 4338 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,1,0,0,0,0|1,0,2]=4 4339 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,1,0,0,0,0|1,0,2]=4 4340 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,1,0,0,0,0|1,0,2]=4 4341 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [0,1,0,0,0,0|2,0,1]=4 4342 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [0,1,0,0,0,0|2,0,1]=4 4343 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [0,1,0,0,0,0|2,0,1]=4 4344 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [0,1,0,0,0,0|2,0,1]=4 4345 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,1,0,0,0,0|1,0,1]=3 4346 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,1,0,0,0,0|1,0,1]=3 4347 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,1,0,0,0,0|1,0,1]=3 4348 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,1,0,0,0,0|1,0,1]=3 4349 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,1,0,0,0,0|1,0,1]=3 4350 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [0,1,0,0,0,0|2,0,1]=4 4351 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,1,0,0,0,0|1,0,0]=2 4352 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,1,0,0,0,0|1,0,0]=2 4353 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [0,1,0,0,0,0|2,0,1]=4 4354 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [0,1,0,0,0,0|2,0,1]=4 4355 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [0,1,0,0,0,0|2,0,1]=4 4356 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [0,1,0,0,0,0|2,0,1]=4 4357 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [0,1,0,0,0,0|2,0,1]=4 4358 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,1,0,0,0,0|1,0,2]=4 4359 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,1,0,0,0,0|1,0,2]=4 4360 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,1,0,0,0,0|1,0,2]=4 4361 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,1,0,0,0,0|1,0,2]=4 4362 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,1,0,0,0,0|1,0,2]=4 4363 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [0,1,0,0,0,0|1,1,1]=4 4364 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [0,1,0,0,0,0|1,1,1]=4 4365 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [0,1,0,0,0,0|1,0,1]=3 4366 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,1,0,0,0,0|0,0,0]=1 4367 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,1,0,0,0,0|0,0,0]=1 4368 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [0,1,0,0,0,0|1,0,1]=3 4369 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [0,1,0,0,0,0|1,0,1]=3 4370 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [0,1,0,0,0,0|1,0,1]=3 4371 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [0,1,0,0,0,0|1,0,1]=3 4372 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [0,1,0,0,0,0|1,0,1]=3 4373 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [0,1,0,0,0,0|1,0,1]=3 4374 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [0,1,0,0,0,0|1,0,1]=3 4375 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,1,0,0,0,0|0,0,2]=3 4376 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,1,0,0,0,0|0,0,2]=3 4377 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [0,1,0,0,0,0|0,1,1]=3 4378 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [0,1,0,0,0,0|1,1,1]=4 4379 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,1,0,0,0,0|0,1,0]=2 4380 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [0,1,0,0,0,0|1,1,1]=4 4381 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,1,0,0,0,0|0,1,2]=4 4382 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,1,0,0,0,0|0,1,2]=4 4383 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [0,1,0,0,0,0|2,0,1]=4 4384 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [0,1,0,0,0,0|2,0,1]=4 4385 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [0,1,0,0,0,0|2,0,1]=4 4386 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [0,1,0,0,0,0|2,0,1]=4 4387 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [0,1,0,0,0,0|2,0,1]=4 4388 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [0,1,0,0,0,0|2,0,1]=4 4389 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [0,1,0,0,0,0|2,0,1]=4 4390 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [0,1,0,0,0,0|2,0,1]=4 4391 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [0,1,0,0,0,0|2,0,1]=4 4392 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,1,0,0,0,0|1,0,2]=4 4393 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,1,0,0,0,0|1,0,2]=4 4394 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,1,0,0,0,0|3,0,0]=4 4395 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,1,0,0,0,0|3,0,0]=4 4396 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,1,0,0,0,0|3,0,0]=4 4397 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [0,1,0,0,0,0|3,0,0]=4 4398 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [0,1,0,0,0,0|3,0,0]=4 4399 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [0,1,0,0,0,0|3,0,0]=4 4400 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [0,1,0,0,0,0|2,0,1]=4 4401 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [0,1,0,0,0,0|2,0,1]=4 4402 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [0,1,0,0,0,0|2,0,1]=4 4403 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [0,1,0,0,0,0|2,0,1]=4 4404 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [0,1,0,0,0,0|2,0,1]=4 4405 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [0,1,0,0,0,0|2,0,1]=4 4406 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [0,1,0,0,0,0|2,0,1]=4 4407 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [0,1,0,0,0,0|2,0,1]=4 4408 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [0,1,0,0,0,0|2,0,1]=4 4409 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [0,1,0,0,0,0|2,0,1]=4 4410 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [0,1,0,0,0,0|2,0,1]=4 4411 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,1,0,0,0,0|1,0,2]=4 4412 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,1,0,0,0,0|1,0,2]=4 4413 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,1,0,0,0,0|3,0,0]=4 4414 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,1,0,0,0,0|3,0,0]=4 4415 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,1,0,0,0,0|3,0,0]=4 4416 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,1,0,0,0,0|3,0,0]=4 4417 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [0,1,0,0,0,0|3,0,0]=4 4418 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [0,1,0,0,0,0|3,0,0]=4 4419 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [0,1,0,0,0,0|3,0,0]=4 4420 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [0,1,0,0,0,0|3,0,0]=4 4421 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [0,1,0,0,0,0|2,0,1]=4 4422 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [0,1,0,0,0,0|2,0,1]=4 4423 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,1,0,0,0,0|1,0,2]=4 4424 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,1,0,0,0,0|3,0,0]=4 4425 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [0,1,0,0,0,0|3,0,0]=4 4426 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,1,0,0,0,0|1,0,1]=3 4427 B13R0.336 CCCCCCCCCSCSC#N 62a_100000211825_100000210670 [0,1,0,0,0,0|1,1,1]=4 4428 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [0,1,0,0,0,0|2,0,1]=4 4429 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,1,0,0,0,0|1,0,0]=2 4430 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [0,1,0,0,0,0|2,0,1]=4 4431 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [0,1,0,0,0,0|2,0,1]=4 4432 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [0,1,0,0,0,0|2,0,1]=4 4433 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [0,1,0,0,0,0|2,0,1]=4 4434 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [0,1,0,0,0,0|2,0,1]=4 4435 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,1,0,0,0,0|1,0,2]=4 4436 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,1,0,0,0,0|1,0,2]=4 4437 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,1,0,0,0,0|1,0,2]=4 4438 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,1,0,0,0,0|1,0,2]=4 4439 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,1,0,0,0,0|3,0,0]=4 4440 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,1,0,0,0,0|3,0,0]=4 4441 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,1,0,0,0,0|3,0,0]=4 4442 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [0,1,0,0,0,0|3,0,0]=4 4443 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,1,0,0,0,0|1,0,1]=3 4444 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,1,0,0,0,0|1,0,1]=3 4445 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,1,0,0,0,0|1,0,1]=3 4446 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,1,0,0,0,0|1,0,1]=3 4447 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [0,1,0,0,0,0|1,1,1]=4 4448 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [0,1,0,0,0,0|1,1,1]=4 4449 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [0,1,0,0,0,0|1,1,1]=4 4450 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [0,1,0,0,0,0|2,0,1]=4 4451 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,1,0,0,0,0|1,0,0]=2 4452 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [0,1,0,0,0,0|2,0,1]=4 4453 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [0,1,0,0,0,0|2,0,1]=4 4454 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [0,1,0,0,0,0|2,0,1]=4 4455 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [0,1,0,0,0,0|2,0,1]=4 4456 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [0,1,0,0,0,0|2,0,1]=4 4457 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [0,1,0,0,0,0|2,0,1]=4 4458 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [0,1,0,0,0,0|2,0,1]=4 4459 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [0,1,0,0,0,0|2,0,1]=4 4460 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [0,1,0,0,0,0|2,0,1]=4 4461 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [0,1,0,0,0,0|2,0,1]=4 4462 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [0,1,0,0,0,0|2,0,1]=4 4463 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [0,1,0,0,0,0|2,0,1]=4 4464 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [0,1,0,0,0,0|2,0,1]=4 4465 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,1,0,0,0,0|1,0,2]=4 4466 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,1,0,0,0,0|1,0,2]=4 4467 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [0,1,0,0,0,0|3,0,0]=4 4468 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,1,0,0,0,0|3,0,0]=4 4469 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,1,0,0,0,0|3,0,0]=4 4470 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,1,0,0,0,0|3,0,0]=4 4471 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [0,1,0,0,0,0|3,0,0]=4 4472 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [0,1,0,0,0,0|3,0,0]=4 4473 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,1,0,0,0,0|1,0,1]=3 4474 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,1,0,0,0,0|1,0,1]=3 4475 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,1,0,0,0,0|1,0,1]=3 4476 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,1,0,0,0,0|1,0,1]=3 4477 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [0,1,0,0,0,0|1,1,1]=4 4478 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [0,1,0,0,0,0|1,1,1]=4 4479 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [0,1,0,0,0,0|1,1,1]=4 4480 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [0,1,0,0,0,0|1,1,1]=4 4481 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [0,1,0,0,0,0|2,0,1]=4 4482 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [0,1,0,0,0,0|2,0,1]=4 4483 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,1,0,0,0,0|1,0,0]=2 4484 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,1,0,0,0,0|1,0,0]=2 4485 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [0,1,0,0,0,0|2,0,1]=4 4486 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [0,1,0,0,0,0|2,0,1]=4 4487 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,1,0,0,0,0|1,0,2]=4 4488 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,1,0,0,0,0|1,0,2]=4 4489 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,1,0,0,0,0|3,0,0]=4 4490 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,1,0,0,0,0|3,0,0]=4 4491 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,1,0,0,0,0|1,0,1]=3 4492 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,1,0,0,0,0|1,0,1]=3 4493 B13R0.336 CCCCCCCCSCCSC#N 62a_100000034367_100000210317 [0,1,0,0,0,0|1,1,1]=4 4494 B13R0.336 CCCCCCCCSCCSC#N 62a_100000210759_100000034367 [0,1,0,0,0,0|1,1,1]=4 4495 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [0,1,0,0,0,0|1,1,1]=4 4496 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [0,1,0,0,0,0|1,1,1]=4 4497 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [0,1,0,0,0,0|2,0,1]=4 4498 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,1,0,0,0,0|1,0,0]=2 4499 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [0,1,0,0,0,0|2,0,1]=4 4500 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [0,1,0,0,0,0|2,0,1]=4 4501 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [0,1,0,0,0,0|2,0,1]=4 4502 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,1,0,0,0,0|1,0,2]=4 4503 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,1,0,0,0,0|1,0,2]=4 4504 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,1,0,0,0,0|1,0,2]=4 4505 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,1,0,0,0,0|3,0,0]=4 4506 B13R0.336 CCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210681 [0,1,0,0,0,0|3,0,0]=4 4507 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [0,1,0,0,0,0|1,0,1]=3 4508 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [0,1,0,0,0,0|1,0,1]=3 4509 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [0,1,0,0,0,0|1,0,1]=3 4510 B13R0.336 CCCCCCCNCCOCC#N 2230a_100000229938_200000047693 [0,1,0,0,0,0|2,0,1]=4 4511 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [0,1,0,0,0,0|2,0,1]=4 4512 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [0,1,0,0,0,0|2,0,1]=4 4513 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [0,1,0,0,0,0|2,0,1]=4 4514 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,1,0,0,0,0|1,0,2]=4 4515 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,1,0,0,0,0|1,0,2]=4 4516 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,1,0,0,0,0|1,0,2]=4 4517 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [0,1,0,0,0,0|2,0,1]=4 4518 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,1,0,0,0,0|1,0,0]=2 4519 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [0,1,0,0,0,0|2,0,1]=4 4520 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [0,1,0,0,0,0|2,0,1]=4 4521 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [0,1,0,0,0,0|2,0,1]=4 4522 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [0,1,0,0,0,0|2,0,1]=4 4523 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [0,1,0,0,0,0|2,0,1]=4 4524 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [0,1,0,0,0,0|2,0,1]=4 4525 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [0,1,0,0,0,0|2,0,1]=4 4526 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [0,1,0,0,0,0|2,0,1]=4 4527 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [0,1,0,0,0,0|2,0,1]=4 4528 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [0,1,0,0,0,0|2,0,1]=4 4529 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [0,1,0,0,0,0|2,0,1]=4 4530 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [0,1,0,0,0,0|2,0,1]=4 4531 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [0,1,0,0,0,0|2,0,1]=4 4532 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,1,0,0,0,0|1,0,2]=4 4533 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,1,0,0,0,0|1,0,2]=4 4534 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,1,0,0,0,0|3,0,0]=4 4535 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,1,0,0,0,0|3,0,0]=4 4536 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,1,0,0,0,0|3,0,0]=4 4537 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [0,1,0,0,0,0|3,0,0]=4 4538 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [0,1,0,0,0,0|3,0,0]=4 4539 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,1,0,0,0,0|1,0,1]=3 4540 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,1,0,0,0,0|1,0,1]=3 4541 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,1,0,0,0,0|1,0,1]=3 4542 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,1,0,0,0,0|1,0,1]=3 4543 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [0,1,0,0,0,0|1,1,1]=4 4544 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [0,1,0,0,0,0|1,1,1]=4 4545 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,1,0,0,0,0|2,0,1]=4 4546 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,1,0,0,0,0|2,0,1]=4 4547 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,1,0,0,0,0|2,0,1]=4 4548 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,1,0,0,0,0|2,0,1]=4 4549 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,1,0,0,0,0|2,0,1]=4 4550 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,1,0,0,0,0|2,0,1]=4 4551 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,1,0,0,0,0|2,0,1]=4 4552 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,1,0,0,0,0|2,0,1]=4 4553 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,1,0,0,0,0|2,0,1]=4 4554 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,1,0,0,0,0|2,0,1]=4 4555 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,1,0,0,0,0|2,0,1]=4 4556 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,1,0,0,0,0|2,0,1]=4 4557 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,1,0,0,0,0|2,0,1]=4 4558 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,1,0,0,0,0|2,0,1]=4 4559 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,1,0,0,0,0|1,0,2]=4 4560 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,1,0,0,0,0|1,0,2]=4 4561 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [0,1,0,0,0,0|2,0,1]=4 4562 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [0,1,0,0,0,0|2,0,1]=4 4563 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,1,0,0,0,0|1,0,0]=2 4564 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,1,0,0,0,0|1,0,0]=2 4565 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [0,1,0,0,0,0|2,0,1]=4 4566 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [0,1,0,0,0,0|2,0,1]=4 4567 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,1,0,0,0,0|1,0,2]=4 4568 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,1,0,0,0,0|1,0,2]=4 4569 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,1,0,0,0,0|3,0,0]=4 4570 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,1,0,0,0,0|3,0,0]=4 4571 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [0,1,0,0,0,0|1,0,1]=3 4572 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [0,1,0,0,0,0|1,0,1]=3 4573 B13R0.336 CCCCCCCSCCOCC#N 62a_100000210614_200000047693 [0,1,0,0,0,0|2,0,1]=4 4574 B13R0.336 CCCCCCCSCCOCC#N 62a_200000047693_100000210316 [0,1,0,0,0,0|2,0,1]=4 4575 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [0,1,0,0,0,0|2,0,1]=4 4576 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [0,1,0,0,0,0|2,0,1]=4 4577 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,1,0,0,0,0|1,0,2]=4 4578 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,1,0,0,0,0|1,0,2]=4 4579 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [0,1,0,0,0,0|2,0,1]=4 4580 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,1,0,0,0,0|1,0,0]=2 4581 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [0,1,0,0,0,0|2,0,1]=4 4582 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,1,0,0,0,0|1,0,2]=4 4583 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,1,0,0,0,0|1,0,2]=4 4584 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,1,0,0,0,0|1,0,2]=4 4585 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,1,0,0,0,0|3,0,0]=4 4586 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,1,0,0,0,0|3,0,0]=4 4587 B13R0.336 CCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210314 [0,1,0,0,0,0|3,0,0]=4 4588 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [0,1,0,0,0,0|2,0,1]=4 4589 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [0,1,0,0,0,0|2,0,1]=4 4590 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [0,1,0,0,0,0|2,0,1]=4 4591 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,1,0,0,0,0|1,0,0]=2 4592 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [0,1,0,0,0,0|2,0,1]=4 4593 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [0,1,0,0,0,0|2,0,1]=4 4594 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [0,1,0,0,0,0|2,0,1]=4 4595 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [0,1,0,0,0,0|2,0,1]=4 4596 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [0,1,0,0,0,0|2,0,1]=4 4597 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [0,1,0,0,0,0|2,0,1]=4 4598 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [0,1,0,0,0,0|2,0,1]=4 4599 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [0,1,0,0,0,0|2,0,1]=4 4600 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [0,1,0,0,0,0|2,0,1]=4 4601 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,1,0,0,0,0|1,0,2]=4 4602 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,1,0,0,0,0|1,0,2]=4 4603 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [0,1,0,0,0,0|3,0,0]=4 4604 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [0,1,0,0,0,0|2,0,1]=4 4605 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [0,1,0,0,0,0|2,0,1]=4 4606 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,1,0,0,0,0|1,0,0]=2 4607 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,1,0,0,0,0|1,0,0]=2 4608 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [0,1,0,0,0,0|2,0,1]=4 4609 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [0,1,0,0,0,0|2,0,1]=4 4610 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,1,0,0,0,0|1,0,2]=4 4611 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,1,0,0,0,0|1,0,2]=4 4612 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [0,1,0,0,0,0|2,0,1]=4 4613 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,1,0,0,0,0|1,0,2]=4 4614 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,1,0,0,0,0|1,0,2]=4 4615 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,1,0,0,0,0|1,0,2]=4 4616 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,1,0,0,0,0|3,0,0]=4 4617 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [0,1,0,0,0,0|2,0,1]=4 4618 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [0,1,0,0,0,0|2,0,1]=4 4619 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [0,1,0,0,0,0|2,0,1]=4 4620 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [0,1,0,0,0,0|2,0,1]=4 4621 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [0,1,0,0,0,0|2,0,1]=4 4622 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [0,1,0,0,0,0|2,0,1]=4 4623 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [0,1,0,0,0,0|2,0,1]=4 4624 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [0,1,0,0,0,0|2,0,1]=4 4625 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,1,0,0,0,0|1,0,2]=4 4626 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,1,0,0,0,0|1,0,2]=4 4627 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,1,0,0,0,0|3,0,0]=4 4628 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,1,0,0,0,0|3,0,0]=4 4629 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,1,0,0,0,0|3,0,0]=4 4630 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,1,0,0,0,0|3,0,0]=4 4631 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,1,0,0,0,0|2,0,0]=3 4632 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [0,1,0,0,0,0|2,0,1]=4 4633 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [0,1,0,0,0,0|2,0,1]=4 4634 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [0,1,0,0,0,0|2,0,1]=4 4635 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [0,1,0,0,0,0|2,0,1]=4 4636 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [0,1,0,0,0,0|2,0,1]=4 4637 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [0,1,0,0,0,0|2,0,1]=4 4638 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [0,1,0,0,0,0|2,0,1]=4 4639 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [0,1,0,0,0,0|2,0,1]=4 4640 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,1,0,0,0,0|1,0,2]=4 4641 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,1,0,0,0,0|1,0,2]=4 4642 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,1,0,0,0,0|3,0,0]=4 4643 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,1,0,0,0,0|3,0,0]=4 4644 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [0,1,0,0,0,0|2,0,1]=4 4645 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [0,1,0,0,0,0|2,0,1]=4 4646 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,1,0,0,0,0|1,0,2]=4 4647 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,1,0,0,0,0|1,0,2]=4 4648 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,1,0,0,0,0|1,0,2]=4 4649 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,1,0,0,0,0|1,0,2]=4 4650 B13R0.336 CCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210211 [0,1,0,0,0,0|3,0,0]=4 4651 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [0,1,0,0,0,0|2,0,1]=4 4652 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [0,1,0,0,0,0|2,0,1]=4 4653 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [0,1,0,0,0,0|2,0,1]=4 4654 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [0,1,0,0,0,0|2,0,1]=4 4655 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [0,1,0,0,0,0|2,0,1]=4 4656 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,1,0,0,0,0|1,0,2]=4 4657 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,1,0,0,0,0|1,0,2]=4 4658 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,1,0,0,0,0|2,0,0]=3 4659 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [0,1,0,0,0,0|2,0,1]=4 4660 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [0,1,0,0,0,0|2,0,1]=4 4661 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,1,0,0,0,0|2,0,0]=3 4662 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [0,1,0,0,0,0|2,0,1]=4 4663 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [0,1,0,0,0,0|2,0,1]=4 4664 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [0,1,0,0,0,0|2,0,1]=4 4665 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [0,1,0,0,0,0|2,0,1]=4 4666 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,1,0,0,0,0|2,0,0]=3 4667 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [0,1,0,0,0,0|2,0,1]=4 4668 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [0,1,0,0,0,0|2,0,1]=4 4669 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [0,1,0,0,0,0|2,0,1]=4 4670 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [0,1,0,0,0,0|2,0,1]=4 4671 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [0,1,0,0,0,0|2,0,0]=3 4672 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [0,1,0,0,0,0|2,0,0]=3 4673 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,1,0,0,0,0|2,0,0]=3 4674 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,1,0,0,0,0|2,0,0]=3 4675 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [0,1,0,0,0,0|2,0,1]=4 4676 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [0,1,0,0,0,0|2,0,1]=4 4677 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,1,0,0,0,0|2,0,0]=3 4678 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,1,0,0,0,0|2,0,0]=3 4679 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,1,0,0,0,0|1,0,2]=4 4680 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,1,0,0,0,0|1,0,2]=4 4681 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,1,0,0,0,0|2,0,0]=3 4682 B13R0.336 CCCCSCCNCCCOCC 2230a_100025743550_100012232248 [0,1,0,0,0,0|2,0,1]=4 4683 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,1,0,0,0,0|2,0,0]=3 4684 B13R0.336 CCCCSCCOCCCOCC 34a_200000230436_100012232248 [0,1,0,0,0,0|2,0,1]=4 4685 B13R0.336 CCCCSCCOCCCOCC 7a_200000230436_100012232248 [0,1,0,0,0,0|2,0,1]=4 4686 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,1,0,0,0,0|1,0,2]=4 4687 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,1,0,0,0,0|1,0,2]=4 4688 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [0,1,0,0,0,0|2,0,1]=4 4689 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [0,1,0,0,0,0|2,0,1]=4 4690 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [0,1,0,0,0,0|2,0,1]=4 4691 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [0,1,0,0,0,0|2,0,1]=4 4692 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [0,1,0,0,0,0|2,0,1]=4 4693 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,1,0,0,0,0|1,0,2]=4 4694 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,1,0,0,0,0|2,0,0]=3 4695 B13R0.336 CCCOCCCNCCCOCC 2230a_100011217757_100012232248 [0,1,0,0,0,0|2,0,1]=4 4696 B13R0.336 CCCOCCCNCCCOCC 34a_100011217757_100012232248 [0,1,0,0,0,0|2,0,1]=4 4697 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,1,0,0,0,0|2,0,0]=3 4698 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,1,0,0,0,0|2,0,0]=3 4699 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,1,0,0,0,0|2,0,0]=3 4700 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,1,0,0,0,0|2,0,0]=3 4701 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,1,0,0,0,0|1,0,2]=4 4702 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,1,0,0,0,0|1,0,2]=4 4703 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,1,0,0,0,0|2,0,0]=3 4704 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,1,0,0,0,0|2,0,0]=3 4705 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,1,0,0,0,0|1,0,2]=4 4706 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,1,0,0,0,0|1,0,2]=4 4707 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,1,0,0,0,0|1,0,2]=4 4708 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,1,0,0,0,0|1,0,1]=3 4709 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,1,0,0,0,0|1,0,1]=3 4710 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,1,0,0,0,0|1,0,1]=3 4711 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,1,0,0,0,0|1,0,1]=3 4712 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,1,0,0,0,0|1,0,1]=3 4713 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,1,0,0,0,0|1,0,1]=3 4714 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,1,0,0,0,0|1,0,1]=3 4715 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,1,0,0,0,0|1,0,1]=3 4716 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,1,0,0,0,0|1,0,1]=3 4717 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,1,0,0,0,0|1,0,1]=3 4718 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,1,0,0,0,0|2,0,0]=3 4719 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [0,1,0,0,0,0|2,0,1]=4 4720 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [0,1,0,0,0,0|2,0,1]=4 4721 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,1,0,0,0,0|2,0,1]=4 4722 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,1,0,0,0,0|2,0,1]=4 4723 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,1,0,0,0,0|2,0,1]=4 4724 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,1,0,0,0,0|2,0,1]=4 4725 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,1,0,0,0,0|2,0,1]=4 4726 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,1,0,0,0,0|2,0,1]=4 4727 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,1,0,0,0,0|2,0,0]=3 4728 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [0,1,0,0,0,0|2,0,1]=4 4729 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [0,1,0,0,0,0|2,0,1]=4 4730 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [0,1,0,0,0,0|2,0,1]=4 4731 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [0,1,0,0,0,0|2,0,1]=4 4732 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [0,1,0,0,0,0|2,0,1]=4 4733 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [0,1,0,0,0,0|2,0,1]=4 4734 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [0,1,0,0,0,0|2,0,1]=4 4735 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [0,1,0,0,0,0|2,0,1]=4 4736 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [0,1,0,0,0,0|2,0,1]=4 4737 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,1,0,0,0,0|2,0,1]=4 4738 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,1,0,0,0,0|2,0,1]=4 4739 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,1,0,0,0,0|2,0,1]=4 4740 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,1,0,0,0,0|2,0,0]=3 4741 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,1,0,0,0,0|2,0,0]=3 4742 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [0,1,0,0,0,0|2,0,1]=4 4743 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [0,1,0,0,0,0|2,0,1]=4 4744 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,1,0,0,0,0|2,0,1]=4 4745 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,1,0,0,0,0|2,0,1]=4 4746 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,1,0,0,0,0|2,0,1]=4 4747 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,1,0,0,0,0|2,0,1]=4 4748 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,1,0,0,0,0|2,0,1]=4 4749 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,1,0,0,0,0|2,0,1]=4 4750 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,1,0,0,0,0|2,0,1]=4 4751 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,1,0,0,0,0|2,0,1]=4 4752 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,1,0,0,0,0|2,0,1]=4 4753 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,1,0,0,0,0|2,0,1]=4 4754 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,1,0,0,0,0|2,0,1]=4 4755 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,1,0,0,0,0|2,0,1]=4 4756 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,1,0,0,0,0|2,0,1]=4 4757 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,1,0,0,0,0|2,0,1]=4 4758 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,1,0,0,0,0|2,0,1]=4 4759 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,1,0,0,0,0|2,0,1]=4 4760 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,1,0,0,0,0|2,0,1]=4 4761 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [0,1,0,0,0,0|3,0,0]=4 4762 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [0,1,0,0,0,0|3,0,0]=4 4763 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [0,1,0,0,0,0|3,0,0]=4 4764 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [0,1,0,0,0,0|3,0,0]=4 4765 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,1,0,0,0,0|2,0,1]=4 4766 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,1,0,0,0,0|2,0,1]=4 4767 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,1,0,0,0,0|2,0,1]=4 4768 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,1,0,0,0,0|2,0,1]=4 4769 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,1,0,0,0,0|2,0,1]=4 4770 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,1,0,0,0,0|2,0,1]=4 4771 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,1,0,0,0,0|1,0,2]=4 4772 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,1,0,0,0,0|1,0,2]=4 4773 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,1,0,0,0,0|2,0,0]=3 4774 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,1,0,0,0,0|1,0,2]=4 4775 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,1,0,0,0,0|1,0,2]=4 4776 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,1,0,0,0,0|1,0,2]=4 4777 B13R0.336 CNCCOCCOCCOCC=O 34a_200014138305_200009817547 [0,1,0,0,0,0|3,0,0]=4 4778 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,1,0,0,0,0|2,0,1]=4 4779 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,1,0,0,0,0|2,0,1]=4 4780 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,1,0,0,0,0|1,0,2]=4 4781 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,1,0,0,0,0|2,0,0]=3 4782 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,1,0,0,0,0|2,0,0]=3 4783 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,1,0,0,0,0|2,0,0]=3 4784 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,1,0,0,0,0|2,0,0]=3 4785 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,1,0,0,0,0|2,0,0]=3 4786 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,1,0,0,0,0|2,0,0]=3 4787 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,1,0,0,0,0|3,0,0]=4 4788 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,1,0,0,0,0|3,0,0]=4 4789 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,1,0,0,0,0|3,0,0]=4 4790 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,1,0,0,0,0|3,0,0]=4 4791 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,1,0,0,0,0|3,0,0]=4 4792 B13R0.336 COCCOCCOCCOCC=O 34a_100000688194_200009817547 [0,1,0,0,0,0|3,0,0]=4 4793 B13R0.336 COCCOCCOCCOCC=O 7a_100000688194_200015260668 [0,1,0,0,0,0|3,0,0]=4 4794 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,1,0,0,0,0|3,0,0]=4 4795 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,1,0,0,0,0|3,0,0]=4 4796 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,1,0,0,0,0|3,0,0]=4 4797 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,1,0,0,0,0|3,0,0]=4 4798 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,1,0,0,0,0|1,0,2]=4 4799 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,1,0,0,0,0|2,0,0]=3 4800 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [0,1,0,0,0,0|1,1,1]=4 4801 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [0,1,0,0,0,0|1,1,1]=4 4802 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [0,1,0,0,0,0|1,1,1]=4 4803 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [0,1,0,0,0,0|2,0,1]=4 4804 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [0,1,0,0,0,0|2,0,1]=4 4805 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [0,1,0,0,0,0|2,0,1]=4 4806 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [0,1,0,0,0,0|2,0,1]=4 4807 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,1,0,0,0,0|1,0,1]=3 4808 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,1,0,0,0,0|1,0,1]=3 4809 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,1,0,0,0,0|1,0,1]=3 4810 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,1,0,0,0,0|1,0,1]=3 4811 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,1,0,0,0,0|2,0,1]=4 4812 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,1,0,0,0,0|2,0,1]=4 4813 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,1,0,0,0,0|2,0,1]=4 4814 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,1,0,0,0,0|2,0,1]=4 4815 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,1,0,0,0,0|2,0,1]=4 4816 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,1,0,0,0,0|2,0,1]=4 4817 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [0,1,0,0,0,0|2,0,1]=4 4818 B13R0.336 N#CCOCCCCCCCCCCl 7a_100009868337_100011215382 [0,1,0,0,0,0|2,0,1]=4 4819 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,1,0,0,0,0|1,0,1]=3 4820 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,1,0,0,0,0|1,0,0]=2 4821 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [0,1,0,0,0,0|2,0,1]=4 4822 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,1,0,0,0,0|1,0,2]=4 4823 B13R0.336 NCCCOCCOCCOCC=O 34a_100011996194_200009817547 [0,1,0,0,0,0|3,0,0]=4 4824 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,1,0,0,0,0|2,0,1]=4 4825 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,1,0,0,0,0|2,0,0]=3 4826 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,1,0,0,0,0|3,0,0]=4 4827 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,1,0,0,0,0|3,0,0]=4 4828 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,1,0,0,0,0|2,0,0]=3 4829 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,1,0,0,0,0|2,0,0]=3 4830 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,1,0,0,0,0|2,0,0]=3 4831 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,1,0,0,0,0|3,0,0]=4 4832 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,1,0,0,0,0|3,0,0]=4 4833 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,1,0,0,0,0|3,0,0]=4 4834 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,1,0,0,0,0|3,0,0]=4 4835 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,1,0,0,0,0|2,0,1]=4 4836 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,1,0,0,0,0|2,0,1]=4 4837 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,1,0,0,0,0|2,0,0]=3 4838 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,1,0,0,0,0|2,0,0]=3 4839 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,1,0,0,0,0|2,0,0]=3 4840 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,1,0,0,0,0|2,0,0]=3 4841 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,1,0,0,0,0|3,0,0]=4 4842 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,1,0,0,0,0|3,0,0]=4 4843 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,1,0,0,0,0|2,0,0]=3 4844 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,1,0,0,0,0|2,0,0]=3 4845 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,1,0,0,0,0|2,0,0]=3 4846 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,1,0,0,0,0|2,0,0]=3 4847 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,1,0,0,0,0|2,0,0]=3 4848 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,1,0,0,0,0|2,0,0]=3 4849 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,1,0,0,0,0|2,0,0]=3 4850 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,1,0,0,0,0|2,0,0]=3 4851 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,1,0,0,0,0|2,0,0]=3 4852 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,1,0,0,0,0|3,0,0]=4 4853 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,1,0,0,0,0|2,0,0]=3 4854 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,1,0,0,0,0|2,0,0]=3 4855 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,1,0,0,0,0|2,0,0]=3 4856 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,1,0,0,0,0|2,0,0]=3 4857 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,1,0,0,0,0|2,0,0]=3 4858 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,1,0,0,0,0|1,0,0]=2 4859 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,1,0,0,0,0|1,0,0]=2 4860 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,1,0,0,0,0|1,0,0]=2 4861 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,1,0,0,0,0|1,0,0]=2 4862 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,1,0,0,0,0|1,1,0]=3 4863 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,1,0,0,0,0|1,1,0]=3 4864 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,1,0,0,0,0|2,0,1]=4 4865 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,1,0,0,0,0|1,1,1]=4 4866 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,1,0,0,0,0|1,1,1]=4 4867 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,1,0,0,0,0|2,0,1]=4 4868 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,1,0,0,0,0|1,0,2]=4 4869 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,1,0,0,0,0|1,0,2]=4 4870 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,1,0,0,0,0|1,0,2]=4 4871 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,1,0,0,0,0|1,0,2]=4 4872 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,1,0,0,0,0|2,0,1]=4 4873 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,1,0,0,0,0|2,0,1]=4 4874 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,1,0,0,0,0|1,0,2]=4 4875 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,1,0,0,0,0|3,0,0]=4 4876 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,1,0,0,0,0|3,0,0]=4 4877 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,1,0,0,0,0|3,0,0]=4 4878 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,1,0,0,0,0|2,0,1]=4 4879 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,1,0,0,0,0|2,0,1]=4 4880 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,1,0,0,0,0|2,0,1]=4 4881 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,1,0,0,0,0|2,0,1]=4 4882 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,1,0,0,0,0|3,0,0]=4 4883 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,1,0,0,0,0|3,0,0]=4 4884 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,1,0,0,0,0|3,0,0]=4 4885 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,1,0,0,0,0|3,0,0]=4 4886 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,1,0,0,0,0|3,0,0]=4 4887 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,1,0,0,0,0|3,0,0]=4 4888 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,1,0,0,0,0|3,0,0]=4 4889 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,1,0,0,0,0|3,0,0]=4 4890 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,1,0,0,0,0|3,0,0]=4 4891 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,1,0,0,0,0|3,0,0]=4 4892 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,1,0,0,0,0|3,0,0]=4 4893 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,1,0,0,0,0|3,0,0]=4 4894 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,1,0,0,0,0|3,0,0]=4 4895 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,1,0,0,0,0|3,0,0]=4 4896 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,1,0,0,0,0|3,0,0]=4 4897 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,1,0,0,0,0|3,0,0]=4 4898 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,1,0,0,0,0|3,0,0]=4 4899 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,1,0,0,0,0|1,0,1]=3 4900 B13R0.338 C=COCCC(=O)CCCCCCO 1458a_100011996774_100000039644 [0,1,0,0,0,0|2,0,1]=4 4901 B13R0.338 C=COCCC(=O)CCCCCOC 1458a_100011935119_100000039644 [0,1,0,0,0,0|2,0,1]=4 4902 B13R0.338 C=COCCCNC(=O)CCCCC 11a_100000210767_100000212188 [0,1,0,0,0,0|2,0,1]=4 4903 B13R0.338 C=COCCCNC(=O)CCCCC 1626a_100000210767_100000212188 [0,1,0,0,0,0|2,0,1]=4 4904 B13R0.338 C=COCCCNC(=O)CCCCC 240690a_100000210767_100000212188 [0,1,0,0,0,0|2,0,1]=4 4905 B13R0.338 C=COCCCNC(=O)CCCCC 527a_100000210767_100000212188 [0,1,0,0,0,0|2,0,1]=4 4906 B13R0.338 C=COCCCNC(C)CCCCC 2230a_100000210767_200011218191 [0,1,0,0,0,0|2,0,0]=3 4907 B13R0.338 C=COCCCNC(C)CCCCC 270004a_100000210767_100000211708 [0,1,0,0,0,0|2,0,0]=3 4908 B13R0.338 C=COCCCNC(C)CCCCC 34a_100000210767_200011218191 [0,1,0,0,0,0|2,0,0]=3 4909 B13R0.338 C=COCCCNC(C)CCCSC 270004a_100000210767_100011399439 [0,1,0,0,0,0|3,0,0]=4 4910 B13R0.338 C=COCCCNC(C)CCOCC 270004a_100000210767_200011216536 [0,1,0,0,0,0|3,0,0]=4 4911 B13R0.338 C=COCCCNC(C)CSCCC 270004a_100000210767_100011343953 [0,1,0,0,0,0|3,0,0]=4 4912 B13R0.338 C=COCCN(C)CCCCCCC 2230a_100000228206_100000039644 [0,1,0,0,0,0|2,0,0]=3 4913 B13R0.338 C=COCCN(C)CCCCCCC 269982a_100000228206_100000039644 [0,1,0,0,0,0|2,0,0]=3 4914 B13R0.338 C=COCCOCC(=O)CCCCC 34a_100000033082_200012276598 [0,1,0,0,0,0|2,0,1]=4 4915 B13R0.338 C=COCCOC[C@@H](N)CCCCN 34a_100016993712_100000039644 [0,1,0,0,0,0|3,0,0]=4 4916 B13R0.338 C=COCCSCC(=O)CCCCC 62a_100000039644_200012276598 [0,1,0,0,0,0|2,0,1]=4 4917 B13R0.338 C=COCCSCC(=O)CCCCC 62a_200012276598_100000039644 [0,1,0,0,0,0|2,0,1]=4 4918 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,1,0,0,0,0|3,0,0]=4 4919 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,1,0,0,0,0|3,0,0]=4 4920 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,1,0,0,0,0|3,0,0]=4 4921 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [0,1,0,0,0,0|2,0,1]=4 4922 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [0,1,0,0,0,0|2,0,1]=4 4923 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,1,0,0,0,0|2,0,0]=3 4924 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000210961_200011218191 [0,1,0,0,0,0|2,0,1]=4 4925 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000211957_100012232248 [0,1,0,0,0,0|2,0,1]=4 4926 B13R0.338 CCCCCC(C)NCCCOCC 270004a_100000210961_100000211708 [0,1,0,0,0,0|2,0,1]=4 4927 B13R0.338 CCCCCC(C)NCCCOCC 34a_100000210961_200011218191 [0,1,0,0,0,0|2,0,1]=4 4928 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,1,0,0,0,0|2,0,0]=3 4929 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [0,1,0,0,0,0|2,0,1]=4 4930 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [0,1,0,0,0,0|2,0,1]=4 4931 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [0,1,0,0,0,0|2,0,1]=4 4932 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [0,1,0,0,0,0|2,0,1]=4 4933 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,1,0,0,0,0|2,0,0]=3 4934 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,1,0,0,0,0|2,0,0]=3 4935 B13R0.338 CCCCCC(C)SCCCOCC 62a_100012232248_200011218191 [0,1,0,0,0,0|2,0,1]=4 4936 B13R0.338 CCCCCC(C)SCCCOCC 62a_200011218191_100012232248 [0,1,0,0,0,0|2,0,1]=4 4937 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,1,0,0,0,0|1,0,2]=4 4938 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,1,0,0,0,0|1,0,2]=4 4939 B13R0.338 CCCCCCCC(C)SCOCC 62a_100000739092_200011218727 [0,1,0,0,0,0|2,0,1]=4 4940 B13R0.338 CCCCCCCC(C)SCOCC 62a_200011218727_100000739092 [0,1,0,0,0,0|2,0,1]=4 4941 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,1,0,0,0,0|2,0,0]=3 4942 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,1,0,0,0,0|2,0,0]=3 4943 B13R0.338 CCCCCCCN(C)CCOCC 2230a_100000228206_100011215890 [0,1,0,0,0,0|2,0,1]=4 4944 B13R0.338 CCCCCCCN(C)CCOCC 269982a_100000228206_100011215890 [0,1,0,0,0,0|2,0,1]=4 4945 B13R0.338 CCCCCCNC(C)CCOCC 270004a_100000210581_200011216536 [0,1,0,0,0,0|2,0,1]=4 4946 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,1,0,0,0,0|2,0,0]=3 4947 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,1,0,0,0,0|2,0,0]=3 4948 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,1,0,0,0,0|3,0,0]=4 4949 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,1,0,0,0,0|3,0,0]=4 4950 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [0,1,0,0,0,0|3,0,0]=4 4951 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [0,1,0,0,0,0|3,0,0]=4 4952 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [0,1,0,0,0,0|3,0,0]=4 4953 B13R1.28 C/C=C/CCOCC1CCCCC1 34a_100016278192_100000211423 [0,0,0,1,0,0|3,0,0]=4 4954 B13R1.28 C/C=C/CNCCC1CCCCC1 34a_100000738074_100102629194 [0,0,0,1,0,0|3,0,0]=4 4955 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100011217863_100102629194 [0,0,0,1,0,0|3,0,0]=4 4956 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100016270725_100011209188 [0,0,0,1,0,0|3,0,0]=4 4957 B13R1.28 C/C=C/COCCC1CCCCC1 7a_100011217863_100102629194 [0,0,0,1,0,0|3,0,0]=4 4958 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100012355289_100102629194 [0,0,0,1,0,0|3,0,0]=4 4959 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100102629194_100012355289 [0,0,0,1,0,0|3,0,0]=4 4960 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [0,0,0,1,0,0|3,0,0]=4 4961 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [0,0,0,1,0,0|3,0,0]=4 4962 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [0,0,0,1,0,0|3,0,0]=4 4963 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [0,0,0,1,0,0|3,0,0]=4 4964 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [0,0,0,1,0,0|3,0,0]=4 4965 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [0,0,0,1,0,0|3,0,0]=4 4966 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [0,0,0,1,0,0|3,0,0]=4 4967 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [0,0,0,1,0,0|3,0,0]=4 4968 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,0,0,1,0,0|3,0,0]=4 4969 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,0,0,1,0,0|3,0,0]=4 4970 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,0,0,1,0,0|3,0,0]=4 4971 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,0,0,1,0,0|3,0,0]=4 4972 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,0,0,1,0,0|3,0,0]=4 4973 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,0,0,1,0,0|3,0,0]=4 4974 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,0,0,1,0,0|3,0,0]=4 4975 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,0,0,1,0,0|3,0,0]=4 4976 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,0,0,1,0,0|3,0,0]=4 4977 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,0,0,1,0,0|3,0,0]=4 4978 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,0,0,1,0,0|3,0,0]=4 4979 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,0,0,1,0,0|3,0,0]=4 4980 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,0,0,1,0,0|3,0,0]=4 4981 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,0,0,1,0,0|3,0,0]=4 4982 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,0,0,1,0,0|3,0,0]=4 4983 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,0,0,1,0,0|3,0,0]=4 4984 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,0,0,1,0,0|3,0,0]=4 4985 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,0,0,1,0,0|3,0,0]=4 4986 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,0,0,1,0,0|3,0,0]=4 4987 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,0,0,1,0,0|3,0,0]=4 4988 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,0,0,1,0,0|3,0,0]=4 4989 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,0,0,1,0,0|3,0,0]=4 4990 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,0,0,1,0,0|3,0,0]=4 4991 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,0,0,1,0,0|3,0,0]=4 4992 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,0,0,1,0,0|3,0,0]=4 4993 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,0,0,1,0,0|3,0,0]=4 4994 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,0,0,1,0,0|3,0,0]=4 4995 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,0,0,1,0,0|3,0,0]=4 4996 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,0,0,1,0,0|3,0,0]=4 4997 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,0,0,1,0,0|3,0,0]=4 4998 B13R1.28 C=COCCCNC1CCCCC1 270004a_100000210767_100000210434 [0,0,0,1,0,0|2,0,0]=3 4999 B13R1.28 C=COCCCNC1CCCCC1 34a_100000210767_100000210327 [0,0,0,1,0,0|2,0,0]=3 5000 B13R1.28 C=COCCCNC1CCCOC1 270004a_100000210767_100000753404 [0,0,0,1,0,0|3,0,0]=4 5001 B13R1.28 C=COCCCNC1CCCOC1 34a_100000210767_100000693364 [0,0,0,1,0,0|3,0,0]=4 5002 B13R1.28 C=COCCCNC1CCCSC1 270004a_100000210767_100000057913 [0,0,0,1,0,0|3,0,0]=4 5003 B13R1.28 C=COCCCNC1CCNCC1 270004a_100000210767_100015192401 [0,0,0,1,0,0|3,0,0]=4 5004 B13R1.28 C=COCCCNC1CCOCC1 270004a_100000210767_100011217826 [0,0,0,1,0,0|3,0,0]=4 5005 B13R1.28 C=COCCCNC1CCSCC1 270004a_100000210767_100000203788 [0,0,0,1,0,0|3,0,0]=4 5006 B13R1.28 C=COCCCNC1CCSCC1 34a_100000210767_100000069128 [0,0,0,1,0,0|3,0,0]=4 5007 B13R1.28 C=COCCNCC1CCCCC1 2230a_100000210473_100000039644 [0,0,0,1,0,0|2,0,0]=3 5008 B13R1.28 C=COCCNCC1CCCCC1 34a_100000210473_100000039644 [0,0,0,1,0,0|2,0,0]=3 5009 B13R1.28 C=COCCNCC1CCCCO1 2230a_100000174945_100000039644 [0,0,0,1,0,0|3,0,0]=4 5010 B13R1.28 C=COCCNCC1CCCCO1 34a_100000174945_100000039644 [0,0,0,1,0,0|3,0,0]=4 5011 B13R1.28 C=COCCNCC1CCCOC1 2230a_100000720124_100000039644 [0,0,0,1,0,0|3,0,0]=4 5012 B13R1.28 C=COCCNCC1CCCOC1 34a_100000720124_100000039644 [0,0,0,1,0,0|3,0,0]=4 5013 B13R1.28 C=COCCNCC1CCOCC1 2230a_100000746373_100000039644 [0,0,0,1,0,0|3,0,0]=4 5014 B13R1.28 C=COCCNCC1CCOCC1 34a_100000746373_100000039644 [0,0,0,1,0,0|3,0,0]=4 5015 B13R1.28 C=COCCNCC1CCSCC1 2230a_100015188806_100000039644 [0,0,0,1,0,0|3,0,0]=4 5016 B13R1.28 C=COCCNCC1CCSCC1 34a_100015188806_100000039644 [0,0,0,1,0,0|3,0,0]=4 5017 B13R1.28 C=COCCOCC1CCCCC1 34a_100000033082_100000211423 [0,0,0,1,0,0|2,0,0]=3 5018 B13R1.28 C=COCCOCC1CCCCC1 34a_100000212181_100000039644 [0,0,0,1,0,0|2,0,0]=3 5019 B13R1.28 C=COCCOCC1CCCCC1 7a_100000212181_100000039644 [0,0,0,1,0,0|2,0,0]=3 5020 B13R1.28 C=COCCOCC1CCCCN1 34a_100000210821_100000039644 [0,0,0,1,0,0|3,0,0]=4 5021 B13R1.28 C=COCCOCC1CCCCO1 34a_100000033082_100000211543 [0,0,0,1,0,0|3,0,0]=4 5022 B13R1.28 C=COCCOCC1CCCCO1 34a_100000211370_100000039644 [0,0,0,1,0,0|3,0,0]=4 5023 B13R1.28 C=COCCOCC1CCCCO1 7a_100000211370_100000039644 [0,0,0,1,0,0|3,0,0]=4 5024 B13R1.28 C=COCCOCC1CCCNC1 34a_100000211344_100000039644 [0,0,0,1,0,0|3,0,0]=4 5025 B13R1.28 C=COCCOCC1CCCOC1 34a_100000033082_100000741521 [0,0,0,1,0,0|3,0,0]=4 5026 B13R1.28 C=COCCOCC1CCCOC1 34a_100000741520_100000039644 [0,0,0,1,0,0|3,0,0]=4 5027 B13R1.28 C=COCCOCC1CCNCC1 34a_100000738675_100000039644 [0,0,0,1,0,0|3,0,0]=4 5028 B13R1.28 C=COCCOCC1CCOCC1 34a_100000033082_100000754603 [0,0,0,1,0,0|3,0,0]=4 5029 B13R1.28 C=COCCOCC1CCOCC1 34a_100000749013_100000039644 [0,0,0,1,0,0|3,0,0]=4 5030 B13R1.28 C=COCCOCC1CCSCC1 34a_100000070558_100000039644 [0,0,0,1,0,0|3,0,0]=4 5031 B13R1.28 C=COCCOCC1CCSCC1 7a_100000070558_100000039644 [0,0,0,1,0,0|3,0,0]=4 5032 B13R1.28 C=COCCSCC1CCCCC1 62a_100000039644_100000211423 [0,0,0,1,0,0|2,0,0]=3 5033 B13R1.28 C=COCCSCC1CCCCC1 62a_100000211423_100000039644 [0,0,0,1,0,0|2,0,0]=3 5034 B13R1.28 C=COCCSCC1CCCCO1 62a_100000039644_100000211543 [0,0,0,1,0,0|3,0,0]=4 5035 B13R1.28 C=COCCSCC1CCCCO1 62a_100000211543_100000039644 [0,0,0,1,0,0|3,0,0]=4 5036 B13R1.28 C=COCCSCC1CCCOC1 62a_100000039644_100000741521 [0,0,0,1,0,0|3,0,0]=4 5037 B13R1.28 C=COCCSCC1CCCOC1 62a_100000741521_100000039644 [0,0,0,1,0,0|3,0,0]=4 5038 B13R1.28 C=COCCSCC1CCOCC1 62a_100000039644_100000749018 [0,0,0,1,0,0|3,0,0]=4 5039 B13R1.28 C=COCCSCC1CCOCC1 62a_100000754603_100000039644 [0,0,0,1,0,0|3,0,0]=4 5040 B13R1.28 CC=CCCCOC1CCCCC1 34a_100020645299_100000210327 [0,0,0,1,0,0|3,0,0]=4 5041 B13R1.28 CC=CCNCCC1CCCCC1 2230a_100000738074_100000070051 [0,0,0,1,0,0|3,0,0]=4 5042 B13R1.28 CC=CCNCCC1CCCCC1 34a_100000738074_100000070051 [0,0,0,1,0,0|3,0,0]=4 5043 B13R1.28 CC=CCOCCC1CCCCC1 34a_100011217863_100000070051 [0,0,0,1,0,0|3,0,0]=4 5044 B13R1.28 CC=CCOCCC1CCCCC1 7a_100011217863_100000070051 [0,0,0,1,0,0|3,0,0]=4 5045 B13R1.28 CC=CCSCCC1CCCCC1 62a_100000070051_100012355289 [0,0,0,1,0,0|3,0,0]=4 5046 B13R1.28 CC=CCSCCC1CCCCC1 62a_100012355289_100000070051 [0,0,0,1,0,0|3,0,0]=4 5047 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,0,0,1,0,0|3,0,0]=4 5048 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,0,0,1,0,0|3,0,0]=4 5049 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,0,0,1,0,0|3,0,0]=4 5050 B13R1.28 CCCCCCCN1CCOCC1 2230a_100015191051_100000210681 [0,0,0,1,0,0|2,0,1]=4 5051 B13R1.28 CCCCCCCN1CCOCC1 269982a_100015191051_100000210681 [0,0,0,1,0,0|2,0,1]=4 5052 B13R1.28 CCCCCCCN1CCOCC1 34a_100015191051_100000210614 [0,0,0,1,0,0|2,0,1]=4 5053 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,0,0,1,0,0|3,0,0]=4 5054 B13R1.28 CCCCCCNC1CCOCC1 2230a_100000741149_100000210314 [0,0,0,1,0,0|2,0,1]=4 5055 B13R1.28 CCCCCCNC1CCOCC1 270004a_100000210581_100011217826 [0,0,0,1,0,0|2,0,1]=4 5056 B13R1.28 CCCCCCNC1CCOCC1 34a_100000741149_100000210314 [0,0,0,1,0,0|2,0,1]=4 5057 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,0,0,1,0,0|3,0,0]=4 5058 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,0,0,1,0,0|3,0,0]=4 5059 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [0,0,0,1,0,0|3,0,0]=4 5060 B13R1.28 CCCCCCOC1CCOCC1 34a_100000744328_100000210314 [0,0,0,1,0,0|2,0,1]=4 5061 B13R1.28 CCCCCCOC1CCOCC1 7a_100000210259_100000686592 [0,0,0,1,0,0|2,0,1]=4 5062 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,0,0,1,0,0|3,0,0]=4 5063 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,0,0,1,0,0|3,0,0]=4 5064 B13R1.28 CCCCCCSC1CCOCC1 62a_100000210314_100011324220 [0,0,0,1,0,0|2,0,1]=4 5065 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [0,0,0,1,0,0|3,0,0]=4 5066 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000209983_100000754603 [0,0,0,1,0,0|2,0,1]=4 5067 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000746373_100000210326 [0,0,0,1,0,0|2,0,1]=4 5068 B13R1.28 CCCCCNCC1CCOCC1 269862a_100000209983_100000749017 [0,0,0,1,0,0|2,0,1]=4 5069 B13R1.28 CCCCCNCC1CCOCC1 34a_100000746373_100000718602 [0,0,0,1,0,0|2,0,1]=4 5070 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [0,0,0,1,0,0|3,0,0]=4 5071 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,0,0,1,0,0|2,0,1]=4 5072 B13R1.28 CCCCCOCC1CCOCC1 34a_100000210253_100000754603 [0,0,0,1,0,0|2,0,1]=4 5073 B13R1.28 CCCCCOCC1CCOCC1 34a_100000749013_100000718602 [0,0,0,1,0,0|2,0,1]=4 5074 B13R1.28 CCCCCOCC1CCOCC1 7a_100000210253_100000754603 [0,0,0,1,0,0|2,0,1]=4 5075 B13R1.28 CCCCCSCC1CCOCC1 62a_100000210326_100000749018 [0,0,0,1,0,0|2,0,1]=4 5076 B13R1.28 CCCCCSCC1CCOCC1 62a_100000754603_100000210326 [0,0,0,1,0,0|2,0,1]=4 5077 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000102301_100011934994 [0,0,0,1,0,0|2,0,1]=4 5078 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000755988_100000210211 [0,0,0,1,0,0|2,0,1]=4 5079 B13R1.28 CCCCNCCC1CCOCC1 34a_100000755988_100000210210 [0,0,0,1,0,0|2,0,1]=4 5080 B13R1.28 CCCCNCCC1CCOCC1 7a_106832991798_100011934994 [0,0,0,1,0,0|2,0,1]=4 5081 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [0,0,0,1,0,0|2,0,1]=4 5082 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [0,0,0,1,0,0|2,0,1]=4 5083 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [0,0,0,1,0,0|2,0,1]=4 5084 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [0,0,0,1,0,0|2,0,1]=4 5085 B13R1.28 CCCCSCCC1CCOCC1 62a_100000210211_100011934994 [0,0,0,1,0,0|2,0,1]=4 5086 B13R1.28 CCCCSCCC1CCOCC1 62a_100011934994_100000210210 [0,0,0,1,0,0|2,0,1]=4 5087 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [0,0,0,1,0,0|1,0,1]=3 5088 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [0,0,0,1,0,0|1,0,1]=3 5089 B13R1.28 CCOCCCCC1CCNCC1 34a_100016989291_100000210202 [0,0,0,1,0,0|2,0,1]=4 5090 B13R1.28 CCOCCCNC1CCCCC1 2230a_100000182618_100012232248 [0,0,0,1,0,0|2,0,1]=4 5091 B13R1.28 CCOCCCNC1CCCCC1 270004a_100000210961_100000210434 [0,0,0,1,0,0|2,0,1]=4 5092 B13R1.28 CCOCCCNC1CCCCC1 34a_100000182618_100012232248 [0,0,0,1,0,0|2,0,1]=4 5093 B13R1.28 CCOCCCNC1CCCCC1 34a_100000210961_100000210327 [0,0,0,1,0,0|2,0,1]=4 5094 B13R1.28 CCOCCCOC1CCCCC1 34a_100000210231_100012232248 [0,0,0,1,0,0|2,0,1]=4 5095 B13R1.28 CCOCCCOC1CCCCC1 34a_100000757476_100000210327 [0,0,0,1,0,0|2,0,1]=4 5096 B13R1.28 CCOCCCOC1CCCCC1 7a_100000210231_100012232248 [0,0,0,1,0,0|2,0,1]=4 5097 B13R1.28 CCOCCCOC1CCCCC1 7a_100000757476_100000210327 [0,0,0,1,0,0|2,0,1]=4 5098 B13R1.28 CCOCCCSC1CCCCC1 62a_100000210327_100012232248 [0,0,0,1,0,0|2,0,1]=4 5099 B13R1.28 CCOCCCSC1CCCCC1 62a_100012232248_100000210327 [0,0,0,1,0,0|2,0,1]=4 5100 B13R1.28 CCOCCNCC1CCCCC1 2230a_100000210473_100011215890 [0,0,0,1,0,0|2,0,1]=4 5101 B13R1.28 CCOCCNCC1CCCCC1 2230a_102516460346_100000211423 [0,0,0,1,0,0|2,0,1]=4 5102 B13R1.28 CCOCCNCC1CCCCC1 269862a_100011200944_100000211278 [0,0,0,1,0,0|2,0,1]=4 5103 B13R1.28 CCOCCNCC1CCCCC1 34a_100000210473_100000210147 [0,0,0,1,0,0|2,0,1]=4 5104 B13R1.28 CCOCCNCC1CCCCC1 34a_102516460346_100000211423 [0,0,0,1,0,0|2,0,1]=4 5105 B13R1.28 CCOCCOCC1CCCCC1 34a_100000210136_100000211423 [0,0,0,1,0,0|2,0,1]=4 5106 B13R1.28 CCOCCOCC1CCCCC1 34a_100000212181_100000210147 [0,0,0,1,0,0|2,0,1]=4 5107 B13R1.28 CCOCCOCC1CCCCC1 7a_100000210136_100000211423 [0,0,0,1,0,0|2,0,1]=4 5108 B13R1.28 CCOCCOCC1CCCCC1 7a_100000212181_100011215890 [0,0,0,1,0,0|2,0,1]=4 5109 B13R1.28 CCOCCSCC1CCCCC1 62a_100000210147_100000211423 [0,0,0,1,0,0|2,0,1]=4 5110 B13R1.28 CCOCCSCC1CCCCC1 62a_100000211423_100011215890 [0,0,0,1,0,0|2,0,1]=4 5111 B13R1.28 CCOCSCCC1CCCCC1 62a_100000739092_100012355289 [0,0,0,1,0,0|2,0,1]=4 5112 B13R1.28 CCOCSCCC1CCCCC1 62a_100012355289_100000739092 [0,0,0,1,0,0|2,0,1]=4 5113 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [0,0,0,1,0,0|1,0,1]=3 5114 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [0,0,0,1,0,0|1,0,1]=3 5115 B13R1.28 FCOCCCCC1CCNCC1 34a_100016989291_100015361967 [0,0,0,1,0,0|2,0,1]=4 5116 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [0,0,0,1,0,0|3,0,0]=4 5117 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [0,0,0,1,0,0|3,0,0]=4 5118 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [0,0,0,1,0,0|3,0,0]=4 5119 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [0,0,0,1,0,0|3,0,0]=4 5120 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [0,0,0,1,0,0|3,0,0]=4 5121 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [0,0,0,1,0,0|3,0,0]=4 5122 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,0,0,1,0,0|2,0,0]=3 5123 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [0,0,0,1,0,0|3,0,0]=4 5124 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [0,0,0,1,0,0|3,0,0]=4 5125 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [0,0,0,1,0,0|3,0,0]=4 5126 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,0,0,1,0,0|2,0,0]=3 5127 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [0,0,0,1,0,0|3,0,0]=4 5128 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [0,0,0,1,0,0|3,0,0]=4 5129 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,0,0,1,0,0|2,0,0]=3 5130 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,0,0,1,0,0|2,0,0]=3 5131 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [0,0,0,1,0,0|3,0,0]=4 5132 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [0,0,0,1,0,0|3,0,0]=4 5133 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [0,0,0,1,0,0|3,0,0]=4 5134 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,0,0,1,0,0|2,0,0]=3 5135 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,0,0,1,0,0|3,0,0]=4 5136 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [0,0,0,1,0,0|3,0,0]=4 5137 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [0,0,0,1,0,0|3,0,0]=4 5138 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [0,0,0,1,0,0|3,0,0]=4 5139 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,0,0,1,0,0|2,0,0]=3 5140 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,0,0,1,0,0|3,0,0]=4 5141 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [0,0,0,1,0,0|3,0,0]=4 5142 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,0,0,1,0,0|2,0,0]=3 5143 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,0,0,1,0,0|2,0,0]=3 5144 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,0,0,1,0,0|3,0,0]=4 5145 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,0,0,1,0,0|3,0,0]=4 5146 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [0,0,0,1,0,0|3,0,0]=4 5147 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [0,0,0,1,0,0|3,0,0]=4 5148 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [0,0,0,1,0,0|3,0,0]=4 5149 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [0,0,0,1,0,0|3,0,0]=4 5150 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,0,0,1,0,0|2,0,0]=3 5151 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,0,0,1,0,0|2,0,0]=3 5152 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [0,0,0,1,0,0|3,0,0]=4 5153 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,0,0,1,0,0|2,0,0]=3 5154 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,0,0,1,0,0|2,0,0]=3 5155 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [0,0,0,1,0,0|3,0,0]=4 5156 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [0,0,0,1,0,0|3,0,0]=4 5157 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [0,0,0,1,0,0|3,0,0]=4 5158 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [0,0,0,1,0,0|3,0,0]=4 5159 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [0,0,0,1,0,0|3,0,0]=4 5160 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [0,0,0,1,0,0|3,0,0]=4 5161 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [0,0,0,1,0,0|3,0,0]=4 5162 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,0,0,1,0,0|2,0,0]=3 5163 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,0,0,1,0,0|2,0,0]=3 5164 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [0,0,0,1,0,0|3,0,0]=4 5165 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [0,0,0,1,0,0|3,0,0]=4 5166 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [0,0,0,1,0,0|3,0,0]=4 5167 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [0,0,0,1,0,0|3,0,0]=4 5168 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,0,0,1,0,0|2,0,0]=3 5169 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [0,0,0,1,0,0|2,0,0]=3 5170 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [0,0,0,1,0,0|2,0,0]=3 5171 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [0,0,0,1,0,0|2,0,0]=3 5172 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [0,0,0,1,0,0|2,0,0]=3 5173 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,0,0,1,0,0|2,0,0]=3 5174 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [0,0,0,1,0,0|2,0,0]=3 5175 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,0,0,1,0,0|2,0,0]=3 5176 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,0,0,1,0,0|2,0,0]=3 5177 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [0,0,0,1,0,0|2,0,0]=3 5178 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [0,0,0,1,0,0|2,0,0]=3 5179 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [0,0,0,1,0,0|3,0,0]=4 5180 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [0,0,0,1,0,0|3,0,0]=4 5181 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000735217_100000739092 [0,0,0,1,0,0|3,0,0]=4 5182 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000739092_100000735217 [0,0,0,1,0,0|3,0,0]=4 5183 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,0,0,1,0,0|3,0,0]=4 5184 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,0,0,1,0,0|3,0,0]=4 5185 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000209980_100000735217 [0,0,0,1,0,0|3,0,0]=4 5186 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000698827_100011201679 [0,0,0,1,0,0|3,0,0]=4 5187 B13R1.34 COCCNC1CCCCNC1=O 34a_100000698827_100011201679 [0,0,0,1,0,0|3,0,0]=4 5188 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,0,0,1,0,0|3,0,0]=4 5189 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,0,0,1,0,0|3,0,0]=4 5190 B13R1.34 COCCSC1CCCCNC1=O 62a_100000233755_100000735217 [0,0,0,1,0,0|3,0,0]=4 5191 B13R1.34 COCCSC1CCCCNC1=O 62a_100000735217_100000233755 [0,0,0,1,0,0|3,0,0]=4 5192 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,0,0,1,0,0|3,0,0]=4 5193 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,0,0,1,0,0|3,0,0]=4 5194 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,0,0,1,0,0|3,0,0]=4 5195 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,0,0,1,0,0|3,0,0]=4 5196 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,0,0,1,0,0|3,0,0]=4 5197 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,0,0,1,0,0|3,0,0]=4 5198 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,0,0,1,0,0|3,0,0]=4 5199 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,0,0,1,0,0|3,0,0]=4 5200 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,0,0,1,0,0|3,0,0]=4 5201 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,0,0,1,0,0|3,0,0]=4 5202 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,0,0,1,0,0|3,0,0]=4 5203 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,0,0,1,0,0|3,0,0]=4 5204 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,0,0,1,0,0|3,0,0]=4 5205 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100000698827_100011934791 [0,0,0,1,0,0|3,0,0]=4 5206 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100015189416_100000735217 [0,0,0,1,0,0|3,0,0]=4 5207 B13R1.34 O=C1NCCCCC1NCCCF 34a_100000698827_100011934791 [0,0,0,1,0,0|3,0,0]=4 5208 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,0,0,1,0,0|3,0,0]=4 5209 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,0,0,1,0,0|3,0,0]=4 5210 B13R1.34 O=C1NCCCCC1SCCCF 62a_100000735217_100011934791 [0,0,0,1,0,0|3,0,0]=4 5211 B13R1.34 O=C1NCCCCC1SCCCF 62a_100011934791_100000735217 [0,0,0,1,0,0|3,0,0]=4 5212 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,0,0,1,0,0|3,0,0]=4 5213 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,0,0,1,0,0|3,0,0]=4 5214 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,0,0,1,0,0|3,0,0]=4 5215 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,0,0,1,0,0|3,0,0]=4 5216 B13R1.84 C/C=C/COC1CCCCC1CC 34a_100000210738_100102629194 [0,0,0,1,0,0|3,0,0]=4 5217 B13R1.84 C/C=C/COC1CCCCC1CC 7a_100000210738_100102629194 [0,0,0,1,0,0|3,0,0]=4 5218 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,0,0,1,0,0|3,0,0]=4 5219 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,0,0,1,0,0|3,0,0]=4 5220 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,0,0,1,0,0|3,0,0]=4 5221 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,0,0,1,0,0|3,0,0]=4 5222 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,0,0,1,0,0|3,0,0]=4 5223 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,0,0,1,0,0|3,0,0]=4 5224 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,0,0,1,0,0|3,0,0]=4 5225 B13R1.84 C=COCCN1CCCCC1CC 2230a_100000210034_100000039644 [0,0,0,1,0,0|2,0,0]=3 5226 B13R1.84 C=COCCN1CCCCC1CC 269982a_100000210034_100000039644 [0,0,0,1,0,0|2,0,0]=3 5227 B13R1.84 C=COCCN1CCCCC1CC 34a_100000210034_100000039644 [0,0,0,1,0,0|2,0,0]=3 5228 B13R1.84 C=COCCN1CCCCC1CO 2230a_100000210821_100000039644 [0,0,0,1,0,0|3,0,0]=4 5229 B13R1.84 C=COCCN1CCCCC1CO 269982a_100000210821_100000039644 [0,0,0,1,0,0|3,0,0]=4 5230 B13R1.84 C=COCCN1CCCCC1CO 34a_100000210821_100000039644 [0,0,0,1,0,0|3,0,0]=4 5231 B13R1.84 C=COCCN1CCOC[C@@H]1CC 2230a_100016988097_100000039644 [0,0,0,1,0,0|3,0,0]=4 5232 B13R1.84 C=COCCN1CCOC[C@@H]1CC 269982a_100016988097_100000039644 [0,0,0,1,0,0|3,0,0]=4 5233 B13R1.84 C=COCCN1CCOC[C@@H]1CC 34a_100016988097_100000039644 [0,0,0,1,0,0|3,0,0]=4 5234 B13R1.84 CC=CCOC1CCCCC1CC 34a_100000210738_100000070051 [0,0,0,1,0,0|3,0,0]=4 5235 B13R1.84 CC=CCOC1CCCCC1CC 7a_100000210738_100000070051 [0,0,0,1,0,0|3,0,0]=4 5236 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,0,0,1,0,0|2,0,0]=3 5237 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,0,0,1,0,0|2,0,0]=3 5238 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [0,0,0,1,0,0|3,0,0]=4 5239 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [0,0,0,1,0,0|3,0,0]=4 5240 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [0,0,0,1,0,0|3,0,0]=4 5241 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [0,0,0,1,0,0|3,0,0]=4 5242 B13R1.84 CCOCCN1CCCCC1CC 2230a_100000210034_100011215890 [0,0,0,1,0,0|2,0,1]=4 5243 B13R1.84 CCOCCN1CCCCC1CC 269982a_100000210034_100011215890 [0,0,0,1,0,0|2,0,1]=4 5244 B13R1.84 CCOCCN1CCCCC1CC 34a_100000210034_100000210147 [0,0,0,1,0,0|2,0,1]=4 5245 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [0,0,0,1,0,0|3,0,0]=4 5246 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [0,0,0,1,0,0|3,0,0]=4 5247 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,0,0,1,0,0|3,0,0]=4 5248 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,0,0,1,0,0|3,0,0]=4 5249 B13R1.119 C/C=C/CCOCCC1CCCC1 34a_100016278192_100000760354 [0,0,0,1,0,0|3,0,0]=4 5250 B13R1.119 C/C=C/CNCCCC1CCCC1 34a_100000736752_100102629194 [0,0,0,1,0,0|3,0,0]=4 5251 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100011215328_100102629194 [0,0,0,1,0,0|3,0,0]=4 5252 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100016270725_100011713738 [0,0,0,1,0,0|3,0,0]=4 5253 B13R1.119 C/C=C/COCCCC1CCCC1 7a_100011215328_100102629194 [0,0,0,1,0,0|3,0,0]=4 5254 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100011713738_100102629194 [0,0,0,1,0,0|3,0,0]=4 5255 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100102629194_100011713738 [0,0,0,1,0,0|3,0,0]=4 5256 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,0,0,1,0,0|3,0,0]=4 5257 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,0,0,1,0,0|3,0,0]=4 5258 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,0,0,1,0,0|3,0,0]=4 5259 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,0,0,1,0,0|3,0,0]=4 5260 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,0,0,1,0,0|3,0,0]=4 5261 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,0,0,1,0,0|3,0,0]=4 5262 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,0,0,1,0,0|3,0,0]=4 5263 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,0,0,1,0,0|3,0,0]=4 5264 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,0,0,1,0,0|3,0,0]=4 5265 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,0,0,1,0,0|3,0,0]=4 5266 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,0,0,1,0,0|3,0,0]=4 5267 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,0,0,1,0,0|3,0,0]=4 5268 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,0,0,1,0,0|3,0,0]=4 5269 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,0,0,1,0,0|3,0,0]=4 5270 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,0,0,1,0,0|3,0,0]=4 5271 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,0,0,1,0,0|3,0,0]=4 5272 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,0,0,1,0,0|3,0,0]=4 5273 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,0,0,1,0,0|3,0,0]=4 5274 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,0,0,1,0,0|3,0,0]=4 5275 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,0,0,1,0,0|3,0,0]=4 5276 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,0,0,1,0,0|3,0,0]=4 5277 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,0,0,1,0,0|3,0,0]=4 5278 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,0,0,1,0,0|3,0,0]=4 5279 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,0,0,1,0,0|3,0,0]=4 5280 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,0,0,1,0,0|3,0,0]=4 5281 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,0,0,1,0,0|3,0,0]=4 5282 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,0,0,1,0,0|3,0,0]=4 5283 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,0,0,1,0,0|3,0,0]=4 5284 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,0,0,1,0,0|3,0,0]=4 5285 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,0,0,1,0,0|3,0,0]=4 5286 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,0,0,1,0,0|3,0,0]=4 5287 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,0,0,1,0,0|3,0,0]=4 5288 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,0,0,1,0,0|3,0,0]=4 5289 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,0,0,1,0,0|3,0,0]=4 5290 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,0,0,1,0,0|3,0,0]=4 5291 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,0,0,1,0,0|3,0,0]=4 5292 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,0,0,1,0,0|3,0,0]=4 5293 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,0,0,1,0,0|3,0,0]=4 5294 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,0,0,1,0,0|3,0,0]=4 5295 B13R1.119 C=COCCCCOC1CCCC1 34a_100000031558_100000179811 [0,0,0,1,0,0|2,0,0]=3 5296 B13R1.119 C=COCCCCOC1CCCC1 7a_100000031558_100000179811 [0,0,0,1,0,0|2,0,0]=3 5297 B13R1.119 C=COCCCCOC1CCOC1 34a_100000031558_100000690089 [0,0,0,1,0,0|3,0,0]=4 5298 B13R1.119 C=COCCCCOC1CCOC1 7a_100000031558_100000731011 [0,0,0,1,0,0|3,0,0]=4 5299 B13R1.119 C=COCCCNCC1CCCC1 2230a_100000210767_100000740388 [0,0,0,1,0,0|2,0,0]=3 5300 B13R1.119 C=COCCCNCC1CCCC1 269862a_100000210767_100000746403 [0,0,0,1,0,0|2,0,0]=3 5301 B13R1.119 C=COCCCNCC1CCCC1 34a_100000210767_100000740388 [0,0,0,1,0,0|2,0,0]=3 5302 B13R1.119 C=COCCCNCC1CCCO1 2230a_100000210767_100000203698 [0,0,0,1,0,0|3,0,0]=4 5303 B13R1.119 C=COCCCNCC1CCOC1 2230a_100000210767_100000702531 [0,0,0,1,0,0|3,0,0]=4 5304 B13R1.119 C=COCCCNCC1CCOC1 34a_100000210767_100011261433 [0,0,0,1,0,0|3,0,0]=4 5305 B13R1.119 C=COCCNCCC1CCCC1 2230a_100000739158_100000039644 [0,0,0,1,0,0|2,0,0]=3 5306 B13R1.119 C=COCCNCCC1CCCC1 34a_100000739158_100000039644 [0,0,0,1,0,0|2,0,0]=3 5307 B13R1.119 C=COCCOCCC1CCCC1 34a_100000033082_100000760354 [0,0,0,1,0,0|2,0,0]=3 5308 B13R1.119 C=COCCOCCC1CCCC1 34a_100000749090_100000039644 [0,0,0,1,0,0|2,0,0]=3 5309 B13R1.119 C=COCCOCCC1CCCC1 7a_100000749090_100000039644 [0,0,0,1,0,0|2,0,0]=3 5310 B13R1.119 C=COCCOCCC1CCNC1 34a_100016987287_100000039644 [0,0,0,1,0,0|3,0,0]=4 5311 B13R1.119 C=COCCOCCC1CCOC1 34a_100011879284_100000039644 [0,0,0,1,0,0|3,0,0]=4 5312 B13R1.119 C=COCCSCCC1CCCC1 62a_100000039644_100000760354 [0,0,0,1,0,0|2,0,0]=3 5313 B13R1.119 C=COCCSCCC1CCCC1 62a_100000760354_100000039644 [0,0,0,1,0,0|2,0,0]=3 5314 B13R1.119 C=COCCSCCN1CCCC1 62a_100000039644_100000004467 [0,0,0,1,0,0|3,0,0]=4 5315 B13R1.119 C=COCCSCCN1CCCC1 62a_100000700749_100000039644 [0,0,0,1,0,0|3,0,0]=4 5316 B13R1.119 CC=CCCCOCC1CCCC1 34a_100020645299_100000740388 [0,0,0,1,0,0|3,0,0]=4 5317 B13R1.119 CC=CCNCCCC1CCCC1 2230a_100000736752_100000070051 [0,0,0,1,0,0|3,0,0]=4 5318 B13R1.119 CC=CCNCCCC1CCCC1 34a_100000736752_100000070051 [0,0,0,1,0,0|3,0,0]=4 5319 B13R1.119 CC=CCOCCCC1CCCC1 34a_100011215328_100000070051 [0,0,0,1,0,0|3,0,0]=4 5320 B13R1.119 CC=CCOCCCC1CCCC1 7a_100011215328_100000070051 [0,0,0,1,0,0|3,0,0]=4 5321 B13R1.119 CC=CCSCCCC1CCCC1 62a_100000070051_100011713738 [0,0,0,1,0,0|3,0,0]=4 5322 B13R1.119 CC=CCSCCCC1CCCC1 62a_100011713738_100000070051 [0,0,0,1,0,0|3,0,0]=4 5323 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [0,0,0,1,0,0|3,0,0]=4 5324 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [0,0,0,1,0,0|3,0,0]=4 5325 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [0,0,0,1,0,0|2,0,1]=4 5326 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [0,0,0,1,0,0|2,0,1]=4 5327 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [0,0,0,1,0,0|2,0,1]=4 5328 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [0,0,0,1,0,0|2,0,1]=4 5329 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [0,0,0,1,0,0|2,0,1]=4 5330 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [0,0,0,1,0,0|2,0,1]=4 5331 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [0,0,0,1,0,0|2,0,1]=4 5332 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [0,0,0,1,0,0|2,0,1]=4 5333 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [0,0,0,1,0,0|2,0,1]=4 5334 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [0,0,0,1,0,0|2,0,1]=4 5335 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [0,0,0,1,0,0|2,0,1]=4 5336 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [0,0,0,1,0,0|2,0,1]=4 5337 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [0,0,0,1,0,0|3,0,0]=4 5338 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [0,0,0,1,0,0|2,0,1]=4 5339 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [0,0,0,1,0,0|2,0,1]=4 5340 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [0,0,0,1,0,0|2,0,1]=4 5341 B13R1.119 CCCCCCOCC1COCO1 34a_100011216627_100000210314 [0,0,0,1,0,0|1,0,2]=4 5342 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [0,0,0,1,0,0|2,0,1]=4 5343 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [0,0,0,1,0,0|2,0,1]=4 5344 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [0,0,0,1,0,0|2,0,1]=4 5345 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000210961_100000740388 [0,0,0,1,0,0|2,0,1]=4 5346 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000737975_100012232248 [0,0,0,1,0,0|2,0,1]=4 5347 B13R1.119 CCOCCCNCC1CCCC1 269862a_100000210961_100000746403 [0,0,0,1,0,0|2,0,1]=4 5348 B13R1.119 CCOCCCNCC1CCCC1 34a_100000210961_100000740388 [0,0,0,1,0,0|2,0,1]=4 5349 B13R1.119 CCOCCCNCC1CCCC1 34a_100000737975_100012232248 [0,0,0,1,0,0|2,0,1]=4 5350 B13R1.119 CCOCCCOCC1CCCC1 34a_100000742336_100012232248 [0,0,0,1,0,0|2,0,1]=4 5351 B13R1.119 CCOCCCOCC1CCCC1 34a_100000757476_100000740388 [0,0,0,1,0,0|2,0,1]=4 5352 B13R1.119 CCOCCCOCC1CCCC1 7a_100000742336_100012232248 [0,0,0,1,0,0|2,0,1]=4 5353 B13R1.119 CCOCCCOCC1CCCC1 7a_100000757476_100000740388 [0,0,0,1,0,0|2,0,1]=4 5354 B13R1.119 CCOCCCSCC1CCCC1 62a_100000740388_100012232248 [0,0,0,1,0,0|2,0,1]=4 5355 B13R1.119 CCOCCCSCC1CCCC1 62a_100012232248_100000740388 [0,0,0,1,0,0|2,0,1]=4 5356 B13R1.119 CCOCCNCCC1CCCC1 2230a_100000739158_100011215890 [0,0,0,1,0,0|2,0,1]=4 5357 B13R1.119 CCOCCNCCC1CCCC1 2230a_102516460346_100000760354 [0,0,0,1,0,0|2,0,1]=4 5358 B13R1.119 CCOCCNCCC1CCCC1 34a_100000739158_100000210147 [0,0,0,1,0,0|2,0,1]=4 5359 B13R1.119 CCOCCNCCC1CCCC1 34a_102516460346_100000760354 [0,0,0,1,0,0|2,0,1]=4 5360 B13R1.119 CCOCCOCCC1CCCC1 34a_100000210136_100000760354 [0,0,0,1,0,0|2,0,1]=4 5361 B13R1.119 CCOCCOCCC1CCCC1 34a_100000749090_100000210147 [0,0,0,1,0,0|2,0,1]=4 5362 B13R1.119 CCOCCOCCC1CCCC1 7a_100000210136_100000760354 [0,0,0,1,0,0|2,0,1]=4 5363 B13R1.119 CCOCCOCCC1CCCC1 7a_100000749090_100011215890 [0,0,0,1,0,0|2,0,1]=4 5364 B13R1.119 CCOCCSCCC1CCCC1 62a_100000210147_100000760354 [0,0,0,1,0,0|2,0,1]=4 5365 B13R1.119 CCOCCSCCC1CCCC1 62a_100000760354_100011215890 [0,0,0,1,0,0|2,0,1]=4 5366 B13R1.119 CCOCSCCCC1CCCC1 62a_100000739092_100011713738 [0,0,0,1,0,0|2,0,1]=4 5367 B13R1.119 CCOCSCCCC1CCCC1 62a_100011713738_100000739092 [0,0,0,1,0,0|2,0,1]=4 5368 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,0,0,1,0,0|2,0,0]=3 5369 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [0,0,0,1,0,0|3,0,0]=4 5370 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [0,0,0,1,0,0|3,0,0]=4 5371 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,0,0,1,0,0|2,0,0]=3 5372 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [0,0,0,1,0,0|3,0,0]=4 5373 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,0,0,1,0,0|2,0,0]=3 5374 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,0,0,1,0,0|2,0,0]=3 5375 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [0,0,0,1,0,0|3,0,0]=4 5376 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,0,0,1,0,0|2,0,0]=3 5377 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [0,0,0,1,0,0|3,0,0]=4 5378 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,0,0,1,0,0|3,0,0]=4 5379 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,0,0,1,0,0|2,0,0]=3 5380 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,0,0,1,0,0|3,0,0]=4 5381 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,0,0,1,0,0|2,0,0]=3 5382 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,0,0,1,0,0|2,0,0]=3 5383 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,0,0,1,0,0|3,0,0]=4 5384 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,0,0,1,0,0|3,0,0]=4 5385 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [0,0,0,1,0,0|3,0,0]=4 5386 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [0,0,0,1,0,0|3,0,0]=4 5387 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,0,0,1,0,0|2,0,0]=3 5388 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,0,0,1,0,0|2,0,0]=3 5389 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,0,0,1,0,0|2,0,0]=3 5390 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,0,0,1,0,0|2,0,0]=3 5391 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [0,0,0,1,0,0|3,0,0]=4 5392 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [0,0,0,1,0,0|3,0,0]=4 5393 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [0,0,0,1,0,0|3,0,0]=4 5394 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,0,0,1,0,0|3,0,0]=4 5395 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,0,0,1,0,0|3,0,0]=4 5396 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,0,0,1,0,0|3,0,0]=4 5397 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,0,0,1,0,0|3,0,0]=4 5398 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,0,0,1,0,0|3,0,0]=4 5399 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,0,0,1,0,0|2,0,0]=3 5400 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,0,0,1,0,0|2,0,0]=3 5401 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [0,0,0,1,0,0|3,0,0]=4 5402 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [0,0,0,1,0,0|3,0,0]=4 5403 B13R1.137 CCOCCCN1CCCC1CC 2230a_100000754278_100012232248 [0,0,0,1,0,0|2,0,1]=4 5404 B13R1.137 CCOCCCN1CCCC1CC 269982a_100000754278_100012232248 [0,0,0,1,0,0|2,0,1]=4 5405 B13R1.137 CCOCCCN1CCCC1CC 34a_100000754278_100012232248 [0,0,0,1,0,0|2,0,1]=4 5406 B13R1.137 CCOCCNC1CCCC1CC 269862a_100011200944_100000749056 [0,0,0,1,0,0|2,0,1]=4 5407 B13R1.137 CCOCCNC1CCCC1CC 270004a_102516460346_100000749056 [0,0,0,1,0,0|2,0,1]=4 5408 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,0,0,1,0,0|3,0,0]=4 5409 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,0,0,1,0,0|3,0,0]=4 5410 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [0,0,0,1,0,0|3,0,0]=4 5411 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [0,0,0,1,0,0|3,0,0]=4 5412 B13R1.485 C/C=C/CN1CCCCC1CCC 269982a_100000701414_100102629194 [0,0,0,1,0,0|3,0,0]=4 5413 B13R1.485 C/C=C/CN1CCCCC1CCC 34a_100000701414_100102629194 [0,0,0,1,0,0|3,0,0]=4 5414 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,0,0,1,0,0|3,0,0]=4 5415 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,0,0,1,0,0|3,0,0]=4 5416 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,0,0,1,0,0|3,0,0]=4 5417 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,0,0,1,0,0|3,0,0]=4 5418 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,0,0,1,0,0|3,0,0]=4 5419 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,0,0,1,0,0|3,0,0]=4 5420 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,0,0,1,0,0|3,0,0]=4 5421 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,0,0,1,0,0|3,0,0]=4 5422 B13R1.485 CC=CCN1CCCCC1CCC 2230a_100000701414_100000070051 [0,0,0,1,0,0|3,0,0]=4 5423 B13R1.485 CC=CCN1CCCCC1CCC 34a_100000701414_100000070051 [0,0,0,1,0,0|3,0,0]=4 5424 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,0,0,1,0,0|2,0,0]=3 5425 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,0,0,1,0,0|2,0,0]=3 5426 B13R1.485 CCCC1CCCCN1COCC 269982a_100000701414_100000739092 [0,0,0,1,0,0|2,0,1]=4 5427 B13R1.485 CCCNC1CCCCC1OCC 270004a_100020643023_200000031474 [0,0,0,1,0,0|2,0,1]=4 5428 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [0,0,0,1,0,0|3,0,0]=4 5429 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [0,0,0,1,0,0|3,0,0]=4 5430 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [0,0,0,1,0,0|3,0,0]=4 5431 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,0,0,1,0,0|3,0,0]=4 5432 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,0,0,1,0,0|3,0,0]=4 5433 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,0,0,1,0,0|3,0,0]=4 5434 B13R1.489 C/C=C/CN1CCCCCCCC1 269982a_100000039187_100102629194 [0,0,0,1,0,0|3,0,0]=4 5435 B13R1.489 C/C=C/CN1CCCCCCCC1 34a_100000039187_100102629194 [0,0,0,1,0,0|3,0,0]=4 5436 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,0,0,1,0,0|3,0,0]=4 5437 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,0,0,1,0,0|3,0,0]=4 5438 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,0,0,1,0,0|3,0,0]=4 5439 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,0,0,1,0,0|3,0,0]=4 5440 B13R1.489 CC=CCN1CCCCCCCC1 2230a_100000039187_100000070051 [0,0,0,1,0,0|3,0,0]=4 5441 B13R1.489 CC=CCN1CCCCCCCC1 34a_100000039187_100000070051 [0,0,0,1,0,0|3,0,0]=4 5442 B13R1.489 CCOCN1CCCCCCCC1 269982a_100000039187_100000739092 [0,0,0,1,0,0|2,0,1]=4 5443 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,0,0,1,0,0|3,0,0]=4 5444 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,0,0,1,0,0|3,0,0]=4 5445 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,0,0,1,0,0|3,0,0]=4 5446 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,0,0,1,0,0|3,0,0]=4 5447 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,0,0,1,0,0|3,0,0]=4 5448 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,0,0,1,0,0|3,0,0]=4 5449 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,0,0,1,0,0|3,0,0]=4 5450 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,0,0,1,0,0|3,0,0]=4 5451 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,0,0,1,0,0|3,0,0]=4 5452 B13R1.555 C=COCCNC1CCCCC1C 2230a_100000211402_100000039644 [0,0,0,1,0,0|2,0,0]=3 5453 B13R1.555 C=COCCNC1CCCCC1C 34a_100000211402_100000039644 [0,0,0,1,0,0|2,0,0]=3 5454 B13R1.555 C=COCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000039644 [0,0,0,1,0,0|3,0,0]=4 5455 B13R1.555 C=COCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000039644 [0,0,0,1,0,0|3,0,0]=4 5456 B13R1.555 C=COCCOC1CCCCC1C 34a_100000211207_100000039644 [0,0,0,1,0,0|2,0,0]=3 5457 B13R1.555 C=COCCOC1CCCCC1C 7a_100000211207_100000039644 [0,0,0,1,0,0|2,0,0]=3 5458 B13R1.555 C=COCCOC1CCCCC1Cl 34a_100000038908_100000039644 [0,0,0,1,0,0|3,0,0]=4 5459 B13R1.555 C=COCCOC1CCCCC1Cl 7a_100000038908_100000039644 [0,0,0,1,0,0|3,0,0]=4 5460 B13R1.555 C=COCCOC1CCCCC1F 34a_100000033082_100015423560 [0,0,0,1,0,0|3,0,0]=4 5461 B13R1.555 C=COCCOC1CCCCC1O 34a_100000033082_100000038908 [0,0,0,1,0,0|3,0,0]=4 5462 B13R1.555 C=COCCOC1CCNCC1C 34a_100011998114_100000039644 [0,0,0,1,0,0|3,0,0]=4 5463 B13R1.555 C=COCCOC1CNCCC1C 34a_100000696640_100000039644 [0,0,0,1,0,0|3,0,0]=4 5464 B13R1.555 C=COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000039644 [0,0,0,1,0,0|3,0,0]=4 5465 B13R1.555 C=COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000039644 [0,0,0,1,0,0|3,0,0]=4 5466 B13R1.555 C=COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000039644 [0,0,0,1,0,0|3,0,0]=4 5467 B13R1.555 C=COCCSC1CCCCC1F 62a_100000039644_100015423560 [0,0,0,1,0,0|3,0,0]=4 5468 B13R1.555 C=COCCSC1CCCCC1F 62a_100015423560_100000039644 [0,0,0,1,0,0|3,0,0]=4 5469 B13R1.555 C=COCCSC1CCCCC1O 62a_100000038908_100000039644 [0,0,0,1,0,0|3,0,0]=4 5470 B13R1.555 C=COCCSC1CCCCC1O 62a_100000039644_100000038908 [0,0,0,1,0,0|3,0,0]=4 5471 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,0,0,1,0,0|2,0,0]=3 5472 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,0,0,1,0,0|2,0,0]=3 5473 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,0,0,1,0,0|2,0,0]=3 5474 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,0,0,1,0,0|2,0,0]=3 5475 B13R1.555 CC1CCCCN1CCCOCF 34a_100000213889_100015361967 [0,0,0,1,0,0|2,0,1]=4 5476 B13R1.555 CC1CCCCN1CCCOCF 7a_100000213889_100015361967 [0,0,0,1,0,0|2,0,1]=4 5477 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [0,0,0,1,0,0|3,0,0]=4 5478 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [0,0,0,1,0,0|3,0,0]=4 5479 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [0,0,0,1,0,0|3,0,0]=4 5480 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [0,0,0,1,0,0|2,0,0]=3 5481 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [0,0,0,1,0,0|2,0,0]=3 5482 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [0,0,0,1,0,0|2,0,0]=3 5483 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,0,0,1,0,0|2,0,0]=3 5484 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,0,0,1,0,0|2,0,0]=3 5485 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,0,0,1,0,0|2,0,0]=3 5486 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [0,0,0,1,0,0|2,0,0]=3 5487 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [0,0,0,1,0,0|2,0,0]=3 5488 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [0,0,0,1,0,0|2,0,0]=3 5489 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [0,0,0,1,0,0|3,0,0]=4 5490 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [0,0,0,1,0,0|3,0,0]=4 5491 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,0,0,1,0,0|2,0,0]=3 5492 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,0,0,1,0,0|2,0,0]=3 5493 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [0,0,0,1,0,0|2,0,0]=3 5494 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [0,0,0,1,0,0|2,0,0]=3 5495 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [0,0,0,1,0,0|3,0,0]=4 5496 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [0,0,0,1,0,0|3,0,0]=4 5497 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,0,0,1,0,0|2,0,0]=3 5498 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,0,0,1,0,0|2,0,0]=3 5499 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [0,0,0,1,0,0|3,0,0]=4 5500 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [0,0,0,1,0,0|3,0,0]=4 5501 B13R1.555 CCCOCCC1NCCNC1=O 34a_100000044719_100000210303 [0,0,0,1,0,0|3,0,0]=4 5502 B13R1.555 CCOCCCN1CCCCC1C 2230a_100000211376_100012232248 [0,0,0,1,0,0|2,0,1]=4 5503 B13R1.555 CCOCCCN1CCCCC1C 269982a_100000211376_100012232248 [0,0,0,1,0,0|2,0,1]=4 5504 B13R1.555 CCOCCCN1CCCCC1C 34a_100000211376_100012232248 [0,0,0,1,0,0|2,0,1]=4 5505 B13R1.555 CCOCCCN1CCCCC1C 34a_100000213889_100000210202 [0,0,0,1,0,0|2,0,1]=4 5506 B13R1.555 CCOCCCN1CCCCC1C 7a_100000213889_100000210202 [0,0,0,1,0,0|2,0,1]=4 5507 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [0,0,0,1,0,0|3,0,0]=4 5508 B13R1.555 CCOCCNC1CCCCC1C 2230a_100000211402_100011215890 [0,0,0,1,0,0|2,0,1]=4 5509 B13R1.555 CCOCCNC1CCCCC1C 269862a_100011200944_100000210921 [0,0,0,1,0,0|2,0,1]=4 5510 B13R1.555 CCOCCNC1CCCCC1C 270004a_102516460346_100000210921 [0,0,0,1,0,0|2,0,1]=4 5511 B13R1.555 CCOCCNC1CCCCC1C 34a_100000211402_100000210147 [0,0,0,1,0,0|2,0,1]=4 5512 B13R1.555 CCOCCNC1CCCNC1=O 2230a_100000747585_100011215890 [0,0,0,1,0,0|3,0,0]=4 5513 B13R1.555 CCOCCNC1CCCNC1=O 2230a_102516460346_100000687798 [0,0,0,1,0,0|3,0,0]=4 5514 B13R1.555 CCOCCNC1CCCNC1=O 34a_100000747585_100000210147 [0,0,0,1,0,0|3,0,0]=4 5515 B13R1.555 CCOCCNC1CCCNC1=O 34a_102516460346_100000687798 [0,0,0,1,0,0|3,0,0]=4 5516 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [0,0,0,1,0,0|3,0,0]=4 5517 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [0,0,0,1,0,0|3,0,0]=4 5518 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [0,0,0,1,0,0|3,0,0]=4 5519 B13R1.555 CCOCCOC1CCCCC1C 34a_100000211207_100000210147 [0,0,0,1,0,0|2,0,1]=4 5520 B13R1.555 CCOCCOC1CCCCC1C 7a_100000211207_100011215890 [0,0,0,1,0,0|2,0,1]=4 5521 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000073722_100000210147 [0,0,0,1,0,0|3,0,0]=4 5522 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000210136_100000687798 [0,0,0,1,0,0|3,0,0]=4 5523 B13R1.555 CCOCCOC1CCCNC1=O 7a_100000210136_100000687798 [0,0,0,1,0,0|3,0,0]=4 5524 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [0,0,0,1,0,0|3,0,0]=4 5525 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [0,0,0,1,0,0|3,0,0]=4 5526 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000210147_100000687798 [0,0,0,1,0,0|3,0,0]=4 5527 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000687798_100011215890 [0,0,0,1,0,0|3,0,0]=4 5528 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000106463_100000687798 [0,0,0,1,0,0|3,0,0]=4 5529 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000747585_100000757381 [0,0,0,1,0,0|3,0,0]=4 5530 B13R1.555 CCSCCNC1CCCNC1=O 34a_100000747585_100000757381 [0,0,0,1,0,0|3,0,0]=4 5531 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [0,0,0,1,0,0|3,0,0]=4 5532 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [0,0,0,1,0,0|3,0,0]=4 5533 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [0,0,0,1,0,0|3,0,0]=4 5534 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000073722_100000757381 [0,0,0,1,0,0|3,0,0]=4 5535 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000212035_100000687798 [0,0,0,1,0,0|3,0,0]=4 5536 B13R1.555 CCSCCOC1CCCNC1=O 7a_100000212035_100000687798 [0,0,0,1,0,0|3,0,0]=4 5537 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [0,0,0,1,0,0|3,0,0]=4 5538 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [0,0,0,1,0,0|3,0,0]=4 5539 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000687798_100000757381 [0,0,0,1,0,0|3,0,0]=4 5540 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000757381_100000687798 [0,0,0,1,0,0|3,0,0]=4 5541 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [0,0,0,1,0,0|3,0,0]=4 5542 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [0,0,0,1,0,0|3,0,0]=4 5543 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [0,0,0,1,0,0|3,0,0]=4 5544 B13R1.555 CNCCCOC1CCCNC1=O 34a_100000213112_100000687798 [0,0,0,1,0,0|3,0,0]=4 5545 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [0,0,0,1,0,0|3,0,0]=4 5546 B13R1.555 COCCCNC1CCCNC1=O 2230a_100000747585_100000740836 [0,0,0,1,0,0|3,0,0]=4 5547 B13R1.555 COCCCNC1CCCNC1=O 34a_100000747585_100000740836 [0,0,0,1,0,0|3,0,0]=4 5548 B13R1.555 COCCCNC1CCCNC1=O 34a_100150723488_100000687798 [0,0,0,1,0,0|3,0,0]=4 5549 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [0,0,0,1,0,0|3,0,0]=4 5550 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [0,0,0,1,0,0|3,0,0]=4 5551 B13R1.555 COCCCOC1CCCNC1=O 34a_100000073722_100000740836 [0,0,0,1,0,0|3,0,0]=4 5552 B13R1.555 COCCCOC1CCCNC1=O 34a_100000740835_100000687798 [0,0,0,1,0,0|3,0,0]=4 5553 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [0,0,0,1,0,0|3,0,0]=4 5554 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [0,0,0,1,0,0|3,0,0]=4 5555 B13R1.555 COCCCSC1CCCNC1=O 62a_100000687798_100000709357 [0,0,0,1,0,0|3,0,0]=4 5556 B13R1.555 COCCCSC1CCCNC1=O 62a_100000709357_100000687798 [0,0,0,1,0,0|3,0,0]=4 5557 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,0,0,1,0,0|3,0,0]=4 5558 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,0,0,1,0,0|3,0,0]=4 5559 B13R1.555 CSCCCNC1CCCNC1=O 2230a_100000749238_100000687798 [0,0,0,1,0,0|3,0,0]=4 5560 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [0,0,0,1,0,0|3,0,0]=4 5561 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [0,0,0,1,0,0|3,0,0]=4 5562 B13R1.555 CSCCCOC1CCCNC1=O 34a_100000690336_100000687798 [0,0,0,1,0,0|3,0,0]=4 5563 B13R1.555 CSCCCOC1CCCNC1=O 7a_100000690336_100000687798 [0,0,0,1,0,0|3,0,0]=4 5564 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [0,0,0,1,0,0|3,0,0]=4 5565 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [0,0,0,1,0,0|3,0,0]=4 5566 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [0,0,0,1,0,0|3,0,0]=4 5567 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [0,0,0,1,0,0|3,0,0]=4 5568 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [0,0,0,1,0,0|3,0,0]=4 5569 B13R1.555 NCCCCOC1CCCNC1=O 34a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 5570 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [0,0,0,1,0,0|3,0,0]=4 5571 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [0,0,0,1,0,0|3,0,0]=4 5572 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,0,0,1,0,0|3,0,0]=4 5573 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,0,0,1,0,0|3,0,0]=4 5574 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,0,0,1,0,0|3,0,0]=4 5575 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [0,0,0,1,0,0|3,0,0]=4 5576 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [0,0,0,1,0,0|3,0,0]=4 5577 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [0,0,0,1,0,0|3,0,0]=4 5578 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [0,0,0,1,0,0|3,0,0]=4 5579 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [0,0,0,1,0,0|3,0,0]=4 5580 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [0,0,0,1,0,0|3,0,0]=4 5581 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [0,0,0,1,0,0|3,0,0]=4 5582 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,0,0,1,0,0|3,0,0]=4 5583 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [0,0,0,1,0,0|3,0,0]=4 5584 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [0,0,0,1,0,0|3,0,0]=4 5585 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,0,0,1,0,0|3,0,0]=4 5586 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,0,0,1,0,0|3,0,0]=4 5587 B13R1.555 O=C1NCCCC1NCCCCF 2230a_100000747585_100000729493 [0,0,0,1,0,0|3,0,0]=4 5588 B13R1.555 O=C1NCCCC1NCCCCF 34a_100000747585_100000729493 [0,0,0,1,0,0|3,0,0]=4 5589 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000747585_100000210776 [0,0,0,1,0,0|3,0,0]=4 5590 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 5591 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000747585_100011216708 [0,0,0,1,0,0|3,0,0]=4 5592 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 5593 B13R1.555 O=C1NCCCC1OCCCCBr 34a_100011216708_100000687798 [0,0,0,1,0,0|3,0,0]=4 5594 B13R1.555 O=C1NCCCC1OCCCCCl 34a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 5595 B13R1.555 O=C1NCCCC1OCCCCCl 7a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 5596 B13R1.555 O=C1NCCCC1OCCCCF 34a_100000073722_100000729493 [0,0,0,1,0,0|3,0,0]=4 5597 B13R1.555 O=C1NCCCC1OCCCCF 34a_100011995726_100000687798 [0,0,0,1,0,0|3,0,0]=4 5598 B13R1.555 O=C1NCCCC1OCCCCF 7a_100011995726_100000687798 [0,0,0,1,0,0|3,0,0]=4 5599 B13R1.555 O=C1NCCCC1OCCCCI 34a_200012148704_100000687798 [0,0,0,1,0,0|3,0,0]=4 5600 B13R1.555 O=C1NCCCC1OCCCCO 34a_100000073722_100011216708 [0,0,0,1,0,0|3,0,0]=4 5601 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000687798_100000729493 [0,0,0,1,0,0|3,0,0]=4 5602 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000729493_100000687798 [0,0,0,1,0,0|3,0,0]=4 5603 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 5604 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000687798_100000210776 [0,0,0,1,0,0|3,0,0]=4 5605 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [0,0,0,1,0,0|3,0,0]=4 5606 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [0,0,0,1,0,0|3,0,0]=4 5607 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [0,0,0,1,0,0|3,0,0]=4 5608 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [0,0,0,1,0,0|3,0,0]=4 5609 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [0,0,0,1,0,0|3,0,0]=4 5610 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,0,0,1,0,0|3,0,0]=4 5611 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,0,0,1,0,0|3,0,0]=4 5612 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,0,0,1,0,0|3,0,0]=4 5613 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,0,0,1,0,0|3,0,0]=4 5614 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,0,0,1,0,0|2,0,0]=3 5615 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,0,0,1,0,0|3,0,0]=4 5616 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,0,0,1,0,0|3,0,0]=4 5617 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,0,0,1,0,0|3,0,0]=4 5618 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,0,0,1,0,0|3,0,0]=4 5619 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,0,0,1,0,0|3,0,0]=4 5620 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,0,0,1,0,0|3,0,0]=4 5621 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,0,0,1,0,0|3,0,0]=4 5622 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,0,0,1,0,0|3,0,0]=4 5623 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,0,0,1,0,0|3,0,0]=4 5624 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,0,0,1,0,0|3,0,0]=4 5625 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,0,0,1,0,0|3,0,0]=4 5626 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,0,0,1,0,0|3,0,0]=4 5627 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,0,0,1,0,0|3,0,0]=4 5628 B13R1.560 C=COCCCCOCC1CCC1 34a_100000031558_100000763275 [0,0,0,1,0,0|2,0,0]=3 5629 B13R1.560 C=COCCCCOCC1CCC1 7a_100000031558_100000763275 [0,0,0,1,0,0|2,0,0]=3 5630 B13R1.560 C=COCCCCOCC1CCO1 34a_100000031558_100000103362 [0,0,0,1,0,0|3,0,0]=4 5631 B13R1.560 C=COCCCCOCC1CCO1 7a_100000031558_100000103362 [0,0,0,1,0,0|3,0,0]=4 5632 B13R1.560 C=COCCCCOCC1COC1 34a_100000031558_100010264016 [0,0,0,1,0,0|3,0,0]=4 5633 B13R1.560 C=COCCCCOCC1COC1 7a_100000031558_100010264016 [0,0,0,1,0,0|3,0,0]=4 5634 B13R1.560 C=COCCOCCOC1CCC1 34a_100000039918_100000749161 [0,0,0,1,0,0|3,0,0]=4 5635 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,0,0,1,0,0|2,0,1]=4 5636 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,0,0,1,0,0|2,0,1]=4 5637 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,0,0,1,0,0|2,0,1]=4 5638 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,0,0,1,0,0|2,0,1]=4 5639 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,0,0,1,0,0|2,0,1]=4 5640 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,0,0,1,0,0|2,0,1]=4 5641 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,0,0,1,0,0|2,0,1]=4 5642 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,0,0,1,0,0|2,0,1]=4 5643 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,0,0,1,0,0|2,0,0]=3 5644 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [0,0,0,1,0,0|3,0,0]=4 5645 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,0,0,1,0,0|3,0,0]=4 5646 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,0,0,1,0,0|2,0,0]=3 5647 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,0,0,1,0,0|2,0,0]=3 5648 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,0,0,1,0,0|3,0,0]=4 5649 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,0,0,1,0,0|3,0,0]=4 5650 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [0,0,0,1,0,0|3,0,0]=4 5651 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [0,0,0,1,0,0|3,0,0]=4 5652 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,0,0,1,0,0|3,0,0]=4 5653 B13R1.654 C#CCCCCNC1CCOC1=O 2230a_100000706060_100000211211 [0,0,0,1,0,0|1,0,2]=4 5654 B13R1.654 C#CCCCCNC1CCOC1=O 34a_100000706060_100000211211 [0,0,0,1,0,0|1,0,2]=4 5655 B13R1.654 C#CCCCCOC1CCOC1=O 34a_100000766709_100000211211 [0,0,0,1,0,0|1,0,2]=4 5656 B13R1.654 C#CCCCCOC1CCOC1=O 7a_100000766709_100000211211 [0,0,0,1,0,0|1,0,2]=4 5657 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100000211211_100010269958 [0,0,0,1,0,0|1,0,2]=4 5658 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100010269958_100000211211 [0,0,0,1,0,0|1,0,2]=4 5659 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,0,0,1,0,0|3,0,0]=4 5660 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,0,0,1,0,0|3,0,0]=4 5661 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,0,0,1,0,0|3,0,0]=4 5662 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,0,0,1,0,0|3,0,0]=4 5663 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,0,0,1,0,0|3,0,0]=4 5664 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,0,0,1,0,0|3,0,0]=4 5665 B13R1.654 C=CCCCCNC1CCOC1=O 2230a_100000703577_100000211211 [0,0,0,1,0,0|1,0,2]=4 5666 B13R1.654 C=CCCCCNC1CCOC1=O 34a_100000703577_100000211211 [0,0,0,1,0,0|1,0,2]=4 5667 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,0,0,1,0,0|3,0,0]=4 5668 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,0,0,1,0,0|3,0,0]=4 5669 B13R1.654 C=CCCCCOC1CCOC1=O 34a_100000766645_100000211211 [0,0,0,1,0,0|1,0,2]=4 5670 B13R1.654 C=CCCCCOC1CCOC1=O 7a_100000766645_100000211211 [0,0,0,1,0,0|1,0,2]=4 5671 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100000211211_100011215482 [0,0,0,1,0,0|1,0,2]=4 5672 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100011215482_100000211211 [0,0,0,1,0,0|1,0,2]=4 5673 B13R1.654 C=COCCCNC1CCCC1C 269862a_100000210767_100000752053 [0,0,0,1,0,0|2,0,0]=3 5674 B13R1.654 C=COCCCNC1CCOC1C 270004a_100000210767_100000691750 [0,0,0,1,0,0|3,0,0]=4 5675 B13R1.654 C=COCCOCC1CCCN1C 34a_100000743107_100000039644 [0,0,0,1,0,0|3,0,0]=4 5676 B13R1.654 CC/C=C\CCOC1CCOC1=O 34a_100016288707_100000211211 [0,0,0,1,0,0|1,0,2]=4 5677 B13R1.654 CC/C=C\CCOC1CCOC1=O 7a_100016288707_100000211211 [0,0,0,1,0,0|1,0,2]=4 5678 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100000211211_100015370543 [0,0,0,1,0,0|1,0,2]=4 5679 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100015370543_100000211211 [0,0,0,1,0,0|1,0,2]=4 5680 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,0,0,1,0,0|2,0,0]=3 5681 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [0,0,0,1,0,0|3,0,0]=4 5682 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [0,0,0,1,0,0|3,0,0]=4 5683 B13R1.654 CC=CCCCOC1CCOC1=O 34a_100020645299_100000211211 [0,0,0,1,0,0|1,0,2]=4 5684 B13R1.654 CCC#CCCOC1CCOC1=O 34a_100000036655_100000211211 [0,0,0,1,0,0|1,0,2]=4 5685 B13R1.654 CCC#CCCOC1CCOC1=O 7a_100000036655_100000211211 [0,0,0,1,0,0|1,0,2]=4 5686 B13R1.654 CCC/C=C/COC1CCOC1=O 34a_100016278788_100000211211 [0,0,0,1,0,0|1,0,2]=4 5687 B13R1.654 CCC/C=C/COC1CCOC1=O 7a_100016278788_100000211211 [0,0,0,1,0,0|1,0,2]=4 5688 B13R1.654 CCCC#CCOC1CCOC1=O 34a_100000034806_100000211211 [0,0,0,1,0,0|1,0,2]=4 5689 B13R1.654 CCCC#CCOC1CCOC1=O 7a_100000034806_100000211211 [0,0,0,1,0,0|1,0,2]=4 5690 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,0,0,1,0,0|2,0,0]=3 5691 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 5692 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 5693 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,0,0,1,0,0|1,0,0]=2 5694 B13R1.654 CCCCCCNC1CCOC1C 270004a_100000210581_100000691750 [0,0,0,1,0,0|2,0,1]=4 5695 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 5696 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 5697 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,0,0,1,0,0|2,0,0]=3 5698 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,0,0,1,0,0|2,0,0]=3 5699 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,0,0,1,0,0|2,0,0]=3 5700 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,0,0,1,0,0|1,0,0]=2 5701 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,0,0,1,0,0|1,0,0]=2 5702 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,0,0,1,0,0|2,0,0]=3 5703 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,0,0,1,0,0|2,0,0]=3 5704 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,0,0,1,0,0|2,0,0]=3 5705 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,0,0,1,0,0|1,0,0]=2 5706 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,0,0,1,0,0|1,0,0]=2 5707 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,0,0,1,0,0|2,0,0]=3 5708 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,0,0,1,0,0|3,0,0]=4 5709 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,0,0,1,0,0|3,0,0]=4 5710 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,0,0,1,0,0|3,0,0]=4 5711 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,0,0,1,0,0|3,0,0]=4 5712 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,0,0,1,0,0|3,0,0]=4 5713 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,0,0,1,0,0|3,0,0]=4 5714 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,0,0,1,0,0|3,0,0]=4 5715 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,0,0,1,0,0|3,0,0]=4 5716 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,0,0,1,0,0|3,0,0]=4 5717 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,0,0,1,0,0|3,0,0]=4 5718 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,0,0,1,0,0|3,0,0]=4 5719 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,0,0,1,0,0|3,0,0]=4 5720 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,0,0,1,0,0|3,0,0]=4 5721 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,0,0,1,0,0|3,0,0]=4 5722 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 5723 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 5724 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,0,0,1,0,0|3,0,0]=4 5725 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,0,0,1,0,0|3,0,0]=4 5726 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,0,0,1,0,0|3,0,0]=4 5727 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,0,0,1,0,0|3,0,0]=4 5728 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,0,0,1,0,0|2,0,0]=3 5729 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,0,0,1,0,0|2,0,0]=3 5730 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,0,0,1,0,0|3,0,0]=4 5731 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,0,0,1,0,0|3,0,0]=4 5732 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,0,0,1,0,0|3,0,0]=4 5733 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,0,0,1,0,0|3,0,0]=4 5734 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,0,0,1,0,0|3,0,0]=4 5735 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,0,0,1,0,0|3,0,0]=4 5736 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,0,0,1,0,0|3,0,0]=4 5737 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,0,0,1,0,0|3,0,0]=4 5738 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,0,0,1,0,0|3,0,0]=4 5739 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,0,0,1,0,0|3,0,0]=4 5740 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 5741 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 5742 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,0,0,1,0,0|2,0,0]=3 5743 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,0,0,1,0,0|2,0,0]=3 5744 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,0,0,1,0,0|3,0,0]=4 5745 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,0,0,1,0,0|3,0,0]=4 5746 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,0,0,1,0,0|3,0,0]=4 5747 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,0,0,1,0,0|2,0,0]=3 5748 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,0,0,1,0,0|2,0,0]=3 5749 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,0,0,1,0,0|3,0,0]=4 5750 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,0,0,1,0,0|3,0,0]=4 5751 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,0,0,1,0,0|3,0,0]=4 5752 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,0,0,1,0,0|2,0,0]=3 5753 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,0,0,1,0,0|2,0,0]=3 5754 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,0,0,1,0,0|3,0,0]=4 5755 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,0,0,1,0,0|2,0,0]=3 5756 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,0,0,1,0,0|3,0,0]=4 5757 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,0,0,1,0,0|3,0,0]=4 5758 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,0,0,1,0,0|2,0,0]=3 5759 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,0,0,1,0,0|2,0,0]=3 5760 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,0,0,1,0,0|3,0,0]=4 5761 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,0,0,1,0,0|3,0,0]=4 5762 B13R1.654 CCOCCCNC1CCCC1C 269862a_100000210961_100000752053 [0,0,0,1,0,0|2,0,1]=4 5763 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 5764 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 5765 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,0,0,1,0,0|2,0,0]=3 5766 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,0,0,1,0,0|2,0,0]=3 5767 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,0,0,1,0,0|3,0,0]=4 5768 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,0,0,1,0,0|3,0,0]=4 5769 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,0,0,1,0,0|3,0,0]=4 5770 B13R1.654 CCOCCCOC1CCCC1C 34a_100011216460_100012232248 [0,0,0,1,0,0|2,0,1]=4 5771 B13R1.654 CCOCCCOC1CCCC1C 7a_100011216460_100012232248 [0,0,0,1,0,0|2,0,1]=4 5772 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,0,0,1,0,0|2,0,0]=3 5773 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,0,0,1,0,0|2,0,0]=3 5774 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,0,0,1,0,0|3,0,0]=4 5775 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,0,0,1,0,0|3,0,0]=4 5776 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,0,0,1,0,0|3,0,0]=4 5777 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,0,0,1,0,0|2,0,0]=3 5778 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,0,0,1,0,0|2,0,0]=3 5779 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,0,0,1,0,0|3,0,0]=4 5780 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,0,0,1,0,0|3,0,0]=4 5781 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,0,0,1,0,0|3,0,0]=4 5782 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,0,0,1,0,0|2,0,0]=3 5783 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,0,0,1,0,0|2,0,0]=3 5784 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,0,0,1,0,0|3,0,0]=4 5785 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,0,0,1,0,0|3,0,0]=4 5786 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,0,0,1,0,0|3,0,0]=4 5787 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,0,0,1,0,0|3,0,0]=4 5788 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,0,0,1,0,0|3,0,0]=4 5789 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,0,0,1,0,0|2,0,0]=3 5790 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,0,0,1,0,0|3,0,0]=4 5791 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,0,0,1,0,0|3,0,0]=4 5792 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,0,0,1,0,0|3,0,0]=4 5793 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,0,0,1,0,0|2,0,0]=3 5794 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,0,0,1,0,0|2,0,0]=3 5795 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,0,0,1,0,0|3,0,0]=4 5796 B13R1.654 COCCOCSC1CCOC1=O 62a_100000211211_100000231047 [0,0,0,1,0,0|3,0,0]=4 5797 B13R1.654 COCCOCSC1CCOC1=O 62a_100000231047_100000211211 [0,0,0,1,0,0|3,0,0]=4 5798 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,0,0,1,0,0|3,0,0]=4 5799 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,0,0,1,0,0|3,0,0]=4 5800 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,0,0,1,0,0|2,0,0]=3 5801 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,0,0,1,0,0|2,0,0]=3 5802 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,0,0,1,0,0|2,0,0]=3 5803 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,0,0,1,0,0|2,0,0]=3 5804 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,0,0,1,0,0|2,0,0]=3 5805 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,0,0,1,0,0|2,0,0]=3 5806 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100000211211_100000211819 [0,0,0,1,0,0|2,0,1]=4 5807 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100011219923_100000211211 [0,0,0,1,0,0|2,0,1]=4 5808 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,0,0,1,0,0|3,0,0]=4 5809 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 5810 B13R1.654 NCCOCCOC1CCOC1=O 34a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 5811 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,0,0,1,0,0|3,0,0]=4 5812 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,0,0,1,0,0|3,0,0]=4 5813 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,0,0,1,0,0|3,0,0]=4 5814 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,0,0,1,0,0|3,0,0]=4 5815 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,0,0,1,0,0|3,0,0]=4 5816 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,0,0,1,0,0|3,0,0]=4 5817 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,0,0,1,0,0|3,0,0]=4 5818 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,0,0,1,0,0|3,0,0]=4 5819 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,0,0,1,0,0|3,0,0]=4 5820 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,0,0,1,0,0|3,0,0]=4 5821 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,0,0,1,0,0|3,0,0]=4 5822 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,0,0,1,0,0|3,0,0]=4 5823 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,0,0,1,0,0|3,0,0]=4 5824 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,0,0,1,0,0|3,0,0]=4 5825 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,0,0,1,0,0|3,0,0]=4 5826 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,0,0,1,0,0|3,0,0]=4 5827 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 5828 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 5829 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 5830 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 5831 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,0,0,1,0,0|3,0,0]=4 5832 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,0,0,1,0,0|3,0,0]=4 5833 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 5834 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 5835 B13R1.654 O=C1OCCC1NCCOCCO 2230a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 5836 B13R1.654 O=C1OCCC1NCCOCCO 34a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 5837 B13R1.654 O=C1OCCC1NCCSCCO 2230a_100011219999_100000211211 [0,0,0,1,0,0|3,0,0]=4 5838 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,0,0,1,0,0|2,0,0]=3 5839 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,0,0,1,0,0|2,0,0]=3 5840 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 5841 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 5842 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,0,0,1,0,0|2,0,0]=3 5843 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,0,0,1,0,0|2,0,0]=3 5844 B13R1.654 O=C1OCCC1OCCOCCBr 34a_100000692535_100000211211 [0,0,0,1,0,0|3,0,0]=4 5845 B13R1.654 O=C1OCCC1OCCOCCBr 7a_100000692535_100000211211 [0,0,0,1,0,0|3,0,0]=4 5846 B13R1.654 O=C1OCCC1OCCOCCCl 34a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 5847 B13R1.654 O=C1OCCC1OCCOCCCl 7a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 5848 B13R1.654 O=C1OCCC1OCCOCCF 34a_200015357709_100000211211 [0,0,0,1,0,0|3,0,0]=4 5849 B13R1.654 O=C1OCCC1OCCOCCF 7a_200015357709_100000211211 [0,0,0,1,0,0|3,0,0]=4 5850 B13R1.654 O=C1OCCC1OCCOCCI 34a_100012149058_100000211211 [0,0,0,1,0,0|3,0,0]=4 5851 B13R1.654 O=C1OCCC1OCCOCCI 7a_100012149058_100000211211 [0,0,0,1,0,0|3,0,0]=4 5852 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,0,0,1,0,0|2,0,0]=3 5853 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,0,0,1,0,0|2,0,0]=3 5854 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,0,0,1,0,0|2,0,0]=3 5855 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 5856 B13R1.654 O=C1OCCC1SCCOCCO 62a_100000211211_100011215305 [0,0,0,1,0,0|3,0,0]=4 5857 B13R1.654 O=C1OCCC1SCCOCCO 62a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 5858 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000139335_100000211211 [0,0,0,1,0,0|2,0,1]=4 5859 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000211211_100000139335 [0,0,0,1,0,0|2,0,1]=4 5860 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,0,0,1,0,0|3,0,0]=4 5861 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,0,0,1,0,0|3,0,0]=4 5862 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,0,0,1,0,0|3,0,0]=4 5863 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,0,0,1,0,0|3,0,0]=4 5864 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,0,0,1,0,0|3,0,0]=4 5865 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,0,0,1,0,0|3,0,0]=4 5866 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,0,0,1,0,0|3,0,0]=4 5867 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,0,0,1,0,0|3,0,0]=4 5868 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,0,0,1,0,0|3,0,0]=4 5869 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,0,0,1,0,0|3,0,0]=4 5870 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,0,0,1,0,0|3,0,0]=4 5871 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,0,0,1,0,0|3,0,0]=4 5872 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,0,0,1,0,0|3,0,0]=4 5873 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,0,0,1,0,0|3,0,0]=4 5874 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,0,0,1,0,0|3,0,0]=4 5875 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,0,0,1,0,0|3,0,0]=4 5876 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,0,0,1,0,0|3,0,0]=4 5877 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,0,0,1,0,0|3,0,0]=4 5878 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,0,0,1,0,0|3,0,0]=4 5879 B13R1.659 C=COCCCCOCCC1CC1 34a_100000031558_100000694398 [0,0,0,1,0,0|2,0,0]=3 5880 B13R1.659 C=COCCCCOCCC1CC1 7a_100000031558_100000764125 [0,0,0,1,0,0|2,0,0]=3 5881 B13R1.659 C=COCCCCOCCC1CO1 34a_100000031558_100000732470 [0,0,0,1,0,0|3,0,0]=4 5882 B13R1.659 C=COCCCCOCCC1CO1 7a_100000031558_100000732470 [0,0,0,1,0,0|3,0,0]=4 5883 B13R1.659 C=COCCCNCCCC1CO1 2230a_100000210767_100000733510 [0,0,0,1,0,0|3,0,0]=4 5884 B13R1.659 C=COCCCNCCCC1CO1 34a_100000210767_100000733510 [0,0,0,1,0,0|3,0,0]=4 5885 B13R1.659 C=COCCOCCOCC1CC1 34a_100000039918_100000742324 [0,0,0,1,0,0|3,0,0]=4 5886 B13R1.659 C=COCCOCCOCC1CC1 7a_100000039918_100000742324 [0,0,0,1,0,0|3,0,0]=4 5887 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,0,0,1,0,0|2,0,0]=3 5888 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,0,0,1,0,0|2,0,0]=3 5889 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,0,0,1,0,0|2,0,0]=3 5890 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,0,0,1,0,0|3,0,0]=4 5891 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,0,0,1,0,0|3,0,0]=4 5892 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,0,0,1,0,0|3,0,0]=4 5893 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,0,0,1,0,0|3,0,0]=4 5894 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,0,0,1,0,0|3,0,0]=4 5895 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,0,0,1,0,0|3,0,0]=4 5896 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,0,0,1,0,0|2,0,0]=3 5897 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,0,0,1,0,0|2,0,0]=3 5898 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,0,0,1,0,0|2,0,0]=3 5899 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,0,0,1,0,0|2,0,0]=3 5900 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,0,0,1,0,0|2,0,0]=3 5901 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,0,0,1,0,0|2,0,0]=3 5902 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,0,0,1,0,0|2,0,0]=3 5903 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,0,0,1,0,0|2,0,0]=3 5904 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,0,0,1,0,0|3,0,0]=4 5905 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,0,0,1,0,0|3,0,0]=4 5906 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,0,0,1,0,0|3,0,0]=4 5907 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,0,0,1,0,0|3,0,0]=4 5908 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,0,0,1,0,0|3,0,0]=4 5909 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,0,0,1,0,0|3,0,0]=4 5910 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,0,0,1,0,0|3,0,0]=4 5911 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,0,0,1,0,0|3,0,0]=4 5912 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,0,0,1,0,0|3,0,0]=4 5913 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,0,0,1,0,0|3,0,0]=4 5914 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,0,0,1,0,0|3,0,0]=4 5915 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,0,0,1,0,0|3,0,0]=4 5916 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,0,0,1,0,0|3,0,0]=4 5917 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,0,0,1,0,0|3,0,0]=4 5918 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,0,0,1,0,0|3,0,0]=4 5919 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,0,0,1,0,0|3,0,0]=4 5920 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,0,0,1,0,0|3,0,0]=4 5921 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,0,0,1,0,0|3,0,0]=4 5922 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,0,0,1,0,0|3,0,0]=4 5923 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,0,0,1,0,0|3,0,0]=4 5924 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,0,0,1,0,0|3,0,0]=4 5925 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,0,0,1,0,0|3,0,0]=4 5926 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,0,0,1,0,0|3,0,0]=4 5927 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,0,0,1,0,0|3,0,0]=4 5928 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,0,0,1,0,0|3,0,0]=4 5929 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,0,0,1,0,0|3,0,0]=4 5930 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,0,0,1,0,0|3,0,0]=4 5931 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,0,0,1,0,0|3,0,0]=4 5932 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,0,0,1,0,0|3,0,0]=4 5933 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,0,0,1,0,0|3,0,0]=4 5934 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,0,0,1,0,0|3,0,0]=4 5935 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,0,0,1,0,0|3,0,0]=4 5936 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,0,0,1,0,0|3,0,0]=4 5937 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,0,0,1,0,0|3,0,0]=4 5938 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,0,0,1,0,0|3,0,0]=4 5939 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,0,0,1,0,0|3,0,0]=4 5940 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,0,0,1,0,0|3,0,0]=4 5941 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,0,0,1,0,0|3,0,0]=4 5942 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,0,0,1,0,0|3,0,0]=4 5943 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,0,0,1,0,0|3,0,0]=4 5944 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,0,0,1,0,0|3,0,0]=4 5945 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,0,0,1,0,0|3,0,0]=4 5946 B13R1.671 C=COCCN1CCC[C@H]1COC 2230a_100020646714_100000039644 [0,0,0,1,0,0|3,0,0]=4 5947 B13R1.671 C=COCCN1CCC[C@H]1COC 269982a_100020646714_100000039644 [0,0,0,1,0,0|3,0,0]=4 5948 B13R1.671 C=COCCN1CCC[C@H]1COC 34a_100020646714_100000039644 [0,0,0,1,0,0|3,0,0]=4 5949 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [0,0,0,1,0,0|2,0,1]=4 5950 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [0,0,0,1,0,0|2,0,1]=4 5951 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [0,0,0,1,0,0|3,0,0]=4 5952 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [0,0,0,1,0,0|3,0,0]=4 5953 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [0,0,0,1,0,0|3,0,0]=4 5954 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [0,0,0,1,0,0|3,0,0]=4 5955 B13R1.1150 C/C=C/CNC1CCCCCCC1 34a_100000211152_100102629194 [0,0,0,1,0,0|3,0,0]=4 5956 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [0,0,0,1,0,0|3,0,0]=4 5957 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [0,0,0,1,0,0|3,0,0]=4 5958 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,0,0,1,0,0|3,0,0]=4 5959 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,0,0,1,0,0|3,0,0]=4 5960 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,0,0,1,0,0|3,0,0]=4 5961 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,0,0,1,0,0|3,0,0]=4 5962 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,0,0,1,0,0|3,0,0]=4 5963 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,0,0,1,0,0|3,0,0]=4 5964 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,0,0,1,0,0|3,0,0]=4 5965 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,0,0,1,0,0|3,0,0]=4 5966 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,0,0,1,0,0|3,0,0]=4 5967 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,0,0,1,0,0|3,0,0]=4 5968 B13R1.1150 C=COCCN1CCCCCCC1 2230a_100000211400_100000039644 [0,0,0,1,0,0|2,0,0]=3 5969 B13R1.1150 C=COCCN1CCCCCCC1 269982a_100000211400_100000039644 [0,0,0,1,0,0|2,0,0]=3 5970 B13R1.1150 C=COCCN1CCCCCCC1 34a_100000211400_100000039644 [0,0,0,1,0,0|2,0,0]=3 5971 B13R1.1150 CC=CCNC1CCCCCCC1 2230a_100000211152_100000070051 [0,0,0,1,0,0|3,0,0]=4 5972 B13R1.1150 CC=CCNC1CCCCCCC1 34a_100000211152_100000070051 [0,0,0,1,0,0|3,0,0]=4 5973 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [0,0,0,1,0,0|3,0,0]=4 5974 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [0,0,0,1,0,0|3,0,0]=4 5975 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,0,0,1,0,0|3,0,0]=4 5976 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [0,0,0,1,0,0|2,0,1]=4 5977 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [0,0,0,1,0,0|2,0,1]=4 5978 B13R1.1150 CCOCCN1CCCCCCC1 2230a_100000211400_100011215890 [0,0,0,1,0,0|2,0,1]=4 5979 B13R1.1150 CCOCCN1CCCCCCC1 269982a_100000211400_100011215890 [0,0,0,1,0,0|2,0,1]=4 5980 B13R1.1150 CCOCCN1CCCCCCC1 34a_100000211400_100000210147 [0,0,0,1,0,0|2,0,1]=4 5981 B13R1.1150 FCNCCC1CCCCCCC1 34a_100011532352_100015361967 [0,0,0,1,0,0|2,0,1]=4 5982 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,0,0,1,0,0|2,0,0]=3 5983 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,0,0,1,0,0|2,0,0]=3 5984 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,0,0,1,0,0|2,0,0]=3 5985 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,0,0,1,0,0|2,0,0]=3 5986 B13R1.1887 C/C=C/CCOC1CCCCCC1 34a_100016278192_100011217769 [0,0,0,1,0,0|3,0,0]=4 5987 B13R1.1887 C/C=C/CNCC1CCCCCC1 34a_100015204231_100102629194 [0,0,0,1,0,0|3,0,0]=4 5988 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100000699130_100102629194 [0,0,0,1,0,0|3,0,0]=4 5989 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100016270725_200000696569 [0,0,0,1,0,0|3,0,0]=4 5990 B13R1.1887 C/C=C/COCC1CCCCCC1 7a_100000699130_100102629194 [0,0,0,1,0,0|3,0,0]=4 5991 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_100102629194_200000696569 [0,0,0,1,0,0|3,0,0]=4 5992 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_200000696569_100102629194 [0,0,0,1,0,0|3,0,0]=4 5993 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,0,0,1,0,0|3,0,0]=4 5994 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,0,0,1,0,0|3,0,0]=4 5995 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,0,0,1,0,0|3,0,0]=4 5996 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,0,0,1,0,0|3,0,0]=4 5997 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,0,0,1,0,0|3,0,0]=4 5998 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,0,0,1,0,0|3,0,0]=4 5999 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,0,0,1,0,0|3,0,0]=4 6000 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,0,0,1,0,0|3,0,0]=4 6001 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,0,0,1,0,0|3,0,0]=4 6002 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,0,0,1,0,0|3,0,0]=4 6003 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,0,0,1,0,0|3,0,0]=4 6004 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,0,0,1,0,0|3,0,0]=4 6005 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,0,0,1,0,0|3,0,0]=4 6006 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,0,0,1,0,0|3,0,0]=4 6007 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,0,0,1,0,0|3,0,0]=4 6008 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,0,0,1,0,0|3,0,0]=4 6009 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,0,0,1,0,0|3,0,0]=4 6010 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,0,0,1,0,0|3,0,0]=4 6011 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,0,0,1,0,0|3,0,0]=4 6012 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,0,0,1,0,0|3,0,0]=4 6013 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,0,0,1,0,0|3,0,0]=4 6014 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,0,0,1,0,0|3,0,0]=4 6015 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,0,0,1,0,0|3,0,0]=4 6016 B13R1.1887 C=COCCNC1CCCCCC1 2230a_100000210984_100000039644 [0,0,0,1,0,0|2,0,0]=3 6017 B13R1.1887 C=COCCNC1CCCCCC1 34a_100000210984_100000039644 [0,0,0,1,0,0|2,0,0]=3 6018 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000033082_100011217769 [0,0,0,1,0,0|2,0,0]=3 6019 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000210887_100000039644 [0,0,0,1,0,0|2,0,0]=3 6020 B13R1.1887 C=COCCOC1CCCCCC1 7a_100000210887_100000039644 [0,0,0,1,0,0|2,0,0]=3 6021 B13R1.1887 C=COCCSC1CCCCCC1 62a_100000039644_100011217769 [0,0,0,1,0,0|2,0,0]=3 6022 B13R1.1887 C=COCCSC1CCCCCC1 62a_100011217769_100000039644 [0,0,0,1,0,0|2,0,0]=3 6023 B13R1.1887 CC=CCNCC1CCCCCC1 2230a_100015204231_100000070051 [0,0,0,1,0,0|3,0,0]=4 6024 B13R1.1887 CC=CCNCC1CCCCCC1 34a_100015204231_100000070051 [0,0,0,1,0,0|3,0,0]=4 6025 B13R1.1887 CC=CCOCC1CCCCCC1 34a_100000699130_100000070051 [0,0,0,1,0,0|3,0,0]=4 6026 B13R1.1887 CC=CCOCC1CCCCCC1 7a_100000699130_100000070051 [0,0,0,1,0,0|3,0,0]=4 6027 B13R1.1887 CC=CCSCC1CCCCCC1 62a_100000070051_200000696569 [0,0,0,1,0,0|3,0,0]=4 6028 B13R1.1887 CC=CCSCC1CCCCCC1 62a_200000696569_100000070051 [0,0,0,1,0,0|3,0,0]=4 6029 B13R1.1887 CCCCCCN1CCCOCC1 2230a_100000685342_100000210314 [0,0,0,1,0,0|2,0,1]=4 6030 B13R1.1887 CCCCCCN1CCCOCC1 269982a_100000685342_100000210757 [0,0,0,1,0,0|2,0,1]=4 6031 B13R1.1887 CCCCCCN1CCCOCC1 34a_100000685342_100000210314 [0,0,0,1,0,0|2,0,1]=4 6032 B13R1.1887 CCOCCCN1CCCCCC1 2230a_100000185865_100012232248 [0,0,0,1,0,0|2,0,1]=4 6033 B13R1.1887 CCOCCCN1CCCCCC1 269982a_100000185865_100012232248 [0,0,0,1,0,0|2,0,1]=4 6034 B13R1.1887 CCOCCCN1CCCCCC1 34a_100000185865_100012232248 [0,0,0,1,0,0|2,0,1]=4 6035 B13R1.1887 CCOCCCN1CCCCCC1 34a_100102886287_100000210202 [0,0,0,1,0,0|2,0,1]=4 6036 B13R1.1887 CCOCCCN1CCCCCC1 7a_100102886287_100000210202 [0,0,0,1,0,0|2,0,1]=4 6037 B13R1.1887 CCOCCNC1CCCCCC1 2230a_100000210984_100011215890 [0,0,0,1,0,0|2,0,1]=4 6038 B13R1.1887 CCOCCNC1CCCCCC1 270004a_102516460346_100000210131 [0,0,0,1,0,0|2,0,1]=4 6039 B13R1.1887 CCOCCNC1CCCCCC1 34a_100000210984_100000210147 [0,0,0,1,0,0|2,0,1]=4 6040 B13R1.1887 CCOCCNC1CCCCCC1 34a_102516460346_100011217769 [0,0,0,1,0,0|2,0,1]=4 6041 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [0,0,0,1,0,0|2,0,1]=4 6042 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [0,0,0,1,0,0|2,0,1]=4 6043 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [0,0,0,1,0,0|2,0,1]=4 6044 B13R1.1887 CCOCCSC1CCCCCC1 62a_100000210147_100011217769 [0,0,0,1,0,0|2,0,1]=4 6045 B13R1.1887 CCOCCSC1CCCCCC1 62a_100011217769_100011215890 [0,0,0,1,0,0|2,0,1]=4 6046 B13R1.1887 CCOCSCC1CCCCCC1 62a_100000739092_200000696569 [0,0,0,1,0,0|2,0,1]=4 6047 B13R1.1887 CCOCSCC1CCCCCC1 62a_200000696569_100000739092 [0,0,0,1,0,0|2,0,1]=4 6048 B13R1.1887 FCOCCCN1CCCCCC1 34a_100102886287_100015361967 [0,0,0,1,0,0|2,0,1]=4 6049 B13R1.1887 FCOCCCN1CCCCCC1 7a_100102886287_100015361967 [0,0,0,1,0,0|2,0,1]=4 6050 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,0,0,1,0,0|2,0,0]=3 6051 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,0,0,1,0,0|2,0,0]=3 6052 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [0,0,0,1,0,0|3,0,0]=4 6053 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [0,0,0,1,0,0|3,0,0]=4 6054 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,0,0,1,0,0|2,0,0]=3 6055 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,0,0,1,0,0|2,0,0]=3 6056 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,0,0,1,0,0|2,0,0]=3 6057 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,0,0,1,0,0|2,0,0]=3 6058 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,0,0,1,0,0|2,0,0]=3 6059 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,0,0,1,0,0|2,0,0]=3 6060 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [0,0,0,1,0,0|3,0,0]=4 6061 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [0,0,0,1,0,0|3,0,0]=4 6062 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [0,0,0,1,0,0|3,0,0]=4 6063 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 6064 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [2,0,0,0,0,0|1,0,1]=4 6065 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 6066 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 6067 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [2,0,0,0,0,0|1,0,1]=4 6068 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 6069 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 6070 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 6071 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [2,0,0,0,0,0|1,0,1]=4 6072 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [2,0,0,0,0,0|1,0,1]=4 6073 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [2,0,0,0,0,0|1,0,1]=4 6074 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [2,0,0,0,0,0|1,0,1]=4 6075 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [2,0,0,0,0,0|1,0,1]=4 6076 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|1,0,1]=4 6077 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 6078 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 6079 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [2,0,0,0,0,0|1,0,1]=4 6080 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [2,0,0,0,0,0|1,0,1]=4 6081 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [2,0,0,0,0,0|1,0,1]=4 6082 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 6083 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 6084 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [2,0,0,0,0,0|1,0,1]=4 6085 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [2,0,0,0,0,0|1,0,1]=4 6086 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [2,0,0,0,0,0|1,0,1]=4 6087 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [2,0,0,0,0,0|1,0,1]=4 6088 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [2,0,0,0,0,0|1,0,1]=4 6089 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [2,0,0,0,0,0|1,0,1]=4 6090 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 6091 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [2,0,0,0,0,0|1,0,1]=4 6092 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 6093 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [2,0,0,0,0,0|1,0,1]=4 6094 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [2,0,0,0,0,0|1,0,1]=4 6095 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [2,0,0,0,0,0|1,0,1]=4 6096 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|1,0,1]=4 6097 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|1,0,1]=4 6098 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|1,0,1]=4 6099 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 6100 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 6101 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 6102 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 6103 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|1,0,1]=4 6104 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|1,0,1]=4 6105 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [2,0,0,0,0,0|1,0,1]=4 6106 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [2,0,0,0,0,0|1,0,1]=4 6107 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 6108 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [2,0,0,0,0,0|1,0,1]=4 6109 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 6110 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [2,0,0,0,0,0|1,0,1]=4 6111 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [2,0,0,0,0,0|1,0,1]=4 6112 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [2,0,0,0,0,0|1,0,1]=4 6113 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [2,0,0,0,0,0|1,0,1]=4 6114 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 6115 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [2,0,0,0,0,0|1,0,1]=4 6116 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 6117 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [2,0,0,0,0,0|1,0,1]=4 6118 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [2,0,0,0,0,0|1,0,1]=4 6119 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [2,0,0,0,0,0|2,0,0]=4 6120 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [2,0,0,0,0,0|2,0,0]=4 6121 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [2,0,0,0,0,0|2,0,0]=4 6122 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [2,0,0,0,0,0|2,0,0]=4 6123 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [2,0,0,0,0,0|2,0,0]=4 6124 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [2,0,0,0,0,0|2,0,0]=4 6125 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [2,0,0,0,0,0|2,0,0]=4 6126 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [2,0,0,0,0,0|2,0,0]=4 6127 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [2,0,0,0,0,0|2,0,0]=4 6128 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [2,0,0,0,0,0|2,0,0]=4 6129 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 6130 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [2,0,0,0,0,0|1,0,1]=4 6131 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 6132 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [2,0,0,0,0,0|1,0,1]=4 6133 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [2,0,0,0,0,0|1,0,1]=4 6134 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 6135 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 6136 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [2,0,0,0,0,0|0,0,1]=3 6137 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [2,0,0,0,0,0|0,0,1]=3 6138 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [2,0,0,0,0,0|0,0,1]=3 6139 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [2,0,0,0,0,0|0,0,1]=3 6140 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [2,0,0,0,0,0|0,0,1]=3 6141 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [2,0,0,0,0,0|0,1,1]=4 6142 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [2,0,0,0,0,0|0,1,1]=4 6143 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 6144 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [2,0,0,0,0,0|1,0,1]=4 6145 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 6146 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [2,0,0,0,0,0|2,0,0]=4 6147 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|1,0,1]=4 6148 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|1,0,1]=4 6149 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|1,0,1]=4 6150 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [2,0,0,0,0,0|1,0,1]=4 6151 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [2,0,0,0,0,0|1,0,1]=4 6152 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [2,0,0,0,0,0|1,0,1]=4 6153 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [2,0,0,0,0,0|1,0,1]=4 6154 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [2,0,0,0,0,0|2,0,0]=4 6155 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [2,0,0,0,0,0|2,0,0]=4 6156 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,0]=3 6157 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [2,0,0,0,0,0|1,0,1]=4 6158 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [2,0,0,0,0,0|2,0,0]=4 6159 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [2,0,0,0,0,0|2,0,0]=4 6160 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [2,0,0,0,0,0|1,0,0]=3 6161 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [2,0,0,0,0,0|1,0,0]=3 6162 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [2,0,0,0,0,0|1,0,0]=3 6163 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [2,0,0,0,0,0|1,0,1]=4 6164 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,0]=3 6165 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,0]=3 6166 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [2,0,0,0,0,0|2,0,0]=4 6167 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [2,0,0,0,0,0|1,0,1]=4 6168 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 6169 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 6170 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 6171 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 6172 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [2,0,0,0,0,0|2,0,0]=4 6173 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [2,0,0,0,0,0|1,0,0]=3 6174 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [2,0,0,0,0,0|1,0,0]=3 6175 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,0]=3 6176 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,0]=3 6177 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [2,0,0,0,0,0|1,0,1]=4 6178 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [2,0,0,0,0,0|1,0,1]=4 6179 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [2,0,0,0,0,0|2,0,0]=4 6180 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [2,0,0,0,0,0|2,0,0]=4 6181 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [2,0,0,0,0,0|1,0,0]=3 6182 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [2,0,0,0,0,0|1,0,0]=3 6183 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [2,0,0,0,0,0|1,0,1]=4 6184 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [2,0,0,0,0,0|1,0,1]=4 6185 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [2,0,0,0,0,0|1,0,1]=4 6186 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [2,0,0,0,0,0|1,0,1]=4 6187 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [2,0,0,0,0,0|1,0,1]=4 6188 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [2,0,0,0,0,0|2,0,0]=4 6189 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 6190 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 6191 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [2,0,0,0,0,0|1,0,0]=3 6192 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [2,0,0,0,0,0|1,0,1]=4 6193 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [2,0,0,0,0,0|1,0,1]=4 6194 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [2,0,0,0,0,0|2,0,0]=4 6195 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 6196 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|1,0,1]=4 6197 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 6198 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|1,0,1]=4 6199 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [2,0,0,0,0,0|2,0,0]=4 6200 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 6201 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [2,0,0,0,0,0|2,0,0]=4 6202 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 6203 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [2,0,0,0,0,0|2,0,0]=4 6204 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [2,0,0,0,0,0|1,0,0]=3 6205 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [2,0,0,0,0,0|1,0,0]=3 6206 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [2,0,0,0,0,0|1,0,1]=4 6207 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [2,0,0,0,0,0|1,0,1]=4 6208 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [2,0,0,0,0,0|1,0,1]=4 6209 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [2,0,0,0,0,0|1,0,1]=4 6210 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [2,0,0,0,0,0|1,0,1]=4 6211 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [2,0,0,0,0,0|2,0,0]=4 6212 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [2,0,0,0,0,0|1,0,1]=4 6213 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [2,0,0,0,0,0|1,0,1]=4 6214 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [2,0,0,0,0,0|1,0,1]=4 6215 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [2,0,0,0,0,0|1,0,1]=4 6216 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [2,0,0,0,0,0|2,0,0]=4 6217 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [2,0,0,0,0,0|2,0,0]=4 6218 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [2,0,0,0,0,0|1,0,0]=3 6219 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [2,0,0,0,0,0|1,0,0]=3 6220 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [2,0,0,0,0,0|1,0,1]=4 6221 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [2,0,0,0,0,0|1,0,1]=4 6222 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,0]=3 6223 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [2,0,0,0,0,0|1,0,1]=4 6224 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [2,0,0,0,0,0|2,0,0]=4 6225 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [2,0,0,0,0,0|1,0,0]=3 6226 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [2,0,0,0,0,0|1,0,0]=3 6227 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [2,0,0,0,0,0|1,0,0]=3 6228 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [2,0,0,0,0,0|1,0,1]=4 6229 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [2,0,0,0,0,0|1,0,1]=4 6230 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,0]=3 6231 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [2,0,0,0,0,0|2,0,0]=4 6232 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|1,0,1]=4 6233 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|1,0,1]=4 6234 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [2,0,0,0,0,0|2,0,0]=4 6235 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [2,0,0,0,0,0|2,0,0]=4 6236 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 6237 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [2,0,0,0,0,0|2,0,0]=4 6238 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 6239 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [2,0,0,0,0,0|2,0,0]=4 6240 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [2,0,0,0,0,0|2,0,0]=4 6241 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [2,0,0,0,0,0|2,0,0]=4 6242 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [2,0,0,0,0,0|1,0,0]=3 6243 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [2,0,0,0,0,0|1,0,0]=3 6244 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [2,0,0,0,0,0|1,0,1]=4 6245 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [2,0,0,0,0,0|1,0,1]=4 6246 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [2,0,0,0,0,0|1,0,1]=4 6247 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,0]=3 6248 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,0]=3 6249 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [2,0,0,0,0,0|1,0,1]=4 6250 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [2,0,0,0,0,0|2,0,0]=4 6251 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [2,0,0,0,0,0|2,0,0]=4 6252 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [2,0,0,0,0,0|1,0,0]=3 6253 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [2,0,0,0,0,0|1,0,0]=3 6254 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [2,0,0,0,0,0|1,0,1]=4 6255 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [2,0,0,0,0,0|1,0,1]=4 6256 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,0]=3 6257 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,0]=3 6258 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [2,0,0,0,0,0|2,0,0]=4 6259 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [2,0,0,0,0,0|2,0,0]=4 6260 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [2,0,0,0,0,0|1,0,0]=3 6261 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [2,0,0,0,0,0|1,0,0]=3 6262 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [2,0,0,0,0,0|1,0,0]=3 6263 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [2,0,0,0,0,0|1,0,0]=3 6264 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [2,0,0,0,0,0|1,0,1]=4 6265 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [2,0,0,0,0,0|1,0,1]=4 6266 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [2,0,0,0,0,0|1,0,1]=4 6267 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [2,0,0,0,0,0|1,0,1]=4 6268 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [2,0,0,0,0,0|2,0,0]=4 6269 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [2,0,0,0,0,0|2,0,0]=4 6270 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [2,0,0,0,0,0|2,0,0]=4 6271 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [2,0,0,0,0,0|2,0,0]=4 6272 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [2,0,0,0,0,0|2,0,0]=4 6273 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,0]=3 6274 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [2,0,0,0,0,0|2,0,0]=4 6275 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [2,0,0,0,0,0|2,0,0]=4 6276 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [2,0,0,0,0,0|2,0,0]=4 6277 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [2,0,0,0,0,0|2,0,0]=4 6278 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 6279 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 6280 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [2,0,0,0,0,0|2,0,0]=4 6281 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [2,0,0,0,0,0|2,0,0]=4 6282 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [2,0,0,0,0,0|2,0,0]=4 6283 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [2,0,0,0,0,0|1,0,0]=3 6284 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [2,0,0,0,0,0|1,0,0]=3 6285 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [2,0,0,0,0,0|1,0,1]=4 6286 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [2,0,0,0,0,0|1,0,1]=4 6287 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 6288 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [2,0,0,0,0,0|1,0,1]=4 6289 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 6290 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 6291 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 6292 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [2,0,0,0,0,0|2,0,0]=4 6293 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [2,0,0,0,0,0|2,0,0]=4 6294 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [2,0,0,0,0,0|2,0,0]=4 6295 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [2,0,0,0,0,0|2,0,0]=4 6296 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [2,0,0,0,0,0|2,0,0]=4 6297 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [2,0,0,0,0,0|2,0,0]=4 6298 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [2,0,0,0,0,0|2,0,0]=4 6299 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [2,0,0,0,0,0|2,0,0]=4 6300 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [2,0,0,0,0,0|2,0,0]=4 6301 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [2,0,0,0,0,0|2,0,0]=4 6302 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [2,0,0,0,0,0|2,0,0]=4 6303 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [2,0,0,0,0,0|2,0,0]=4 6304 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [2,0,0,0,0,0|2,0,0]=4 6305 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [2,0,0,0,0,0|2,0,0]=4 6306 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,0]=3 6307 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,0]=3 6308 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [2,0,0,0,0,0|2,0,0]=4 6309 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [2,0,0,0,0,0|2,0,0]=4 6310 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [2,0,0,0,0,0|1,0,0]=3 6311 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [2,0,0,0,0,0|1,0,0]=3 6312 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [2,0,0,0,0,0|1,0,1]=4 6313 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [2,0,0,0,0,0|1,0,1]=4 6314 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [2,0,0,0,0,0|2,0,0]=4 6315 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [2,0,0,0,0,0|2,0,0]=4 6316 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [2,0,0,0,0,0|2,0,0]=4 6317 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [2,0,0,0,0,0|2,0,0]=4 6318 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [2,0,0,0,0,0|2,0,0]=4 6319 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [2,0,0,0,0,0|2,0,0]=4 6320 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [2,0,0,0,0,0|2,0,0]=4 6321 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [2,0,0,0,0,0|2,0,0]=4 6322 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [2,0,0,0,0,0|1,0,0]=3 6323 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [2,0,0,0,0,0|1,0,0]=3 6324 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [2,0,0,0,0,0|1,0,1]=4 6325 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [2,0,0,0,0,0|1,0,1]=4 6326 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 6327 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 6328 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 6329 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 6330 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [2,0,0,0,0,0|2,0,0]=4 6331 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 6332 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 6333 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [2,0,0,0,0,0|2,0,0]=4 6334 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [2,0,0,0,0,0|1,0,0]=3 6335 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [2,0,0,0,0,0|2,0,0]=4 6336 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [2,0,0,0,0,0|2,0,0]=4 6337 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [2,0,0,0,0,0|2,0,0]=4 6338 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [2,0,0,0,0,0|2,0,0]=4 6339 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [2,0,0,0,0,0|2,0,0]=4 6340 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [2,0,0,0,0,0|2,0,0]=4 6341 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [2,0,0,0,0,0|2,0,0]=4 6342 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [2,0,0,0,0,0|2,0,0]=4 6343 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [2,0,0,0,0,0|2,0,0]=4 6344 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [2,0,0,0,0,0|2,0,0]=4 6345 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,0]=3 6346 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,0]=3 6347 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [2,0,0,0,0,0|2,0,0]=4 6348 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [2,0,0,0,0,0|2,0,0]=4 6349 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [2,0,0,0,0,0|1,0,0]=3 6350 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [2,0,0,0,0,0|1,0,0]=3 6351 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [2,0,0,0,0,0|2,0,0]=4 6352 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [2,0,0,0,0,0|2,0,0]=4 6353 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [2,0,0,0,0,0|2,0,0]=4 6354 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [2,0,0,0,0,0|1,0,0]=3 6355 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [2,0,0,0,0,0|1,0,0]=3 6356 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [2,0,0,0,0,0|1,0,0]=3 6357 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [2,0,0,0,0,0|1,0,1]=4 6358 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [2,0,0,0,0,0|2,0,0]=4 6359 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [2,0,0,0,0,0|2,0,0]=4 6360 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 6361 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 6362 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [2,0,0,0,0,0|2,0,0]=4 6363 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [2,0,0,0,0,0|1,0,0]=3 6364 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [2,0,0,0,0,0|1,0,1]=4 6365 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [2,0,0,0,0,0|1,0,1]=4 6366 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [2,0,0,0,0,0|1,0,1]=4 6367 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 6368 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 6369 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [2,0,0,0,0,0|2,0,0]=4 6370 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [2,0,0,0,0,0|2,0,0]=4 6371 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [2,0,0,0,0,0|2,0,0]=4 6372 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [2,0,0,0,0,0|2,0,0]=4 6373 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [2,0,0,0,0,0|2,0,0]=4 6374 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [2,0,0,0,0,0|2,0,0]=4 6375 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [2,0,0,0,0,0|2,0,0]=4 6376 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [2,0,0,0,0,0|2,0,0]=4 6377 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [2,0,0,0,0,0|2,0,0]=4 6378 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [2,0,0,0,0,0|2,0,0]=4 6379 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [2,0,0,0,0,0|2,0,0]=4 6380 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [2,0,0,0,0,0|2,0,0]=4 6381 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [2,0,0,0,0,0|2,0,0]=4 6382 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [2,0,0,0,0,0|2,0,0]=4 6383 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [2,0,0,0,0,0|2,0,0]=4 6384 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [2,0,0,0,0,0|2,0,0]=4 6385 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [2,0,0,0,0,0|2,0,0]=4 6386 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [2,0,0,0,0,0|2,0,0]=4 6387 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [2,0,0,0,0,0|2,0,0]=4 6388 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [2,0,0,0,0,0|2,0,0]=4 6389 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [2,0,0,0,0,0|1,0,0]=3 6390 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [2,0,0,0,0,0|1,0,0]=3 6391 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [2,0,0,0,0,0|1,0,1]=4 6392 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [2,0,0,0,0,0|1,0,1]=4 6393 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [2,0,0,0,0,0|2,0,0]=4 6394 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [2,0,0,0,0,0|2,0,0]=4 6395 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [2,0,0,0,0,0|2,0,0]=4 6396 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [2,0,0,0,0,0|2,0,0]=4 6397 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [2,0,0,0,0,0|2,0,0]=4 6398 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [2,0,0,0,0,0|2,0,0]=4 6399 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [2,0,0,0,0,0|2,0,0]=4 6400 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [2,0,0,0,0,0|2,0,0]=4 6401 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [2,0,0,0,0,0|2,0,0]=4 6402 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [2,0,0,0,0,0|2,0,0]=4 6403 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [2,0,0,0,0,0|2,0,0]=4 6404 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [2,0,0,0,0,0|2,0,0]=4 6405 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [2,0,0,0,0,0|2,0,0]=4 6406 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [2,0,0,0,0,0|1,0,0]=3 6407 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [2,0,0,0,0,0|1,0,0]=3 6408 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [2,0,0,0,0,0|1,0,0]=3 6409 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,0]=3 6410 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [2,0,0,0,0,0|1,0,0]=3 6411 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [2,0,0,0,0,0|2,0,0]=4 6412 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [2,0,0,0,0,0|2,0,0]=4 6413 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [2,0,0,0,0,0|2,0,0]=4 6414 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [2,0,0,0,0,0|1,0,1]=4 6415 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [2,0,0,0,0,0|1,0,1]=4 6416 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 6417 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 6418 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 6419 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [2,0,0,0,0,0|1,0,0]=3 6420 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [2,0,0,0,0,0|2,0,0]=4 6421 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [2,0,0,0,0,0|2,0,0]=4 6422 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [2,0,0,0,0,0|2,0,0]=4 6423 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [2,0,0,0,0,0|2,0,0]=4 6424 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [2,0,0,0,0,0|2,0,0]=4 6425 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [2,0,0,0,0,0|2,0,0]=4 6426 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [2,0,0,0,0,0|2,0,0]=4 6427 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [2,0,0,0,0,0|2,0,0]=4 6428 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [2,0,0,0,0,0|2,0,0]=4 6429 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [2,0,0,0,0,0|2,0,0]=4 6430 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [2,0,0,0,0,0|2,0,0]=4 6431 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [2,0,0,0,0,0|2,0,0]=4 6432 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [2,0,0,0,0,0|2,0,0]=4 6433 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [2,0,0,0,0,0|2,0,0]=4 6434 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [2,0,0,0,0,0|2,0,0]=4 6435 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [2,0,0,0,0,0|2,0,0]=4 6436 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [2,0,0,0,0,0|2,0,0]=4 6437 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [2,0,0,0,0,0|2,0,0]=4 6438 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [2,0,0,0,0,0|2,0,0]=4 6439 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [2,0,0,0,0,0|2,0,0]=4 6440 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [2,0,0,0,0,0|2,0,0]=4 6441 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [2,0,0,0,0,0|2,0,0]=4 6442 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [2,0,0,0,0,0|2,0,0]=4 6443 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [2,0,0,0,0,0|2,0,0]=4 6444 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [2,0,0,0,0,0|2,0,0]=4 6445 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [2,0,0,0,0,0|2,0,0]=4 6446 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [2,0,0,0,0,0|2,0,0]=4 6447 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [2,0,0,0,0,0|2,0,0]=4 6448 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [2,0,0,0,0,0|2,0,0]=4 6449 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [2,0,0,0,0,0|1,0,0]=3 6450 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [2,0,0,0,0,0|1,0,0]=3 6451 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [2,0,0,0,0,0|2,0,0]=4 6452 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [2,0,0,0,0,0|2,0,0]=4 6453 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [2,0,0,0,0,0|2,0,0]=4 6454 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [2,0,0,0,0,0|2,0,0]=4 6455 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [2,0,0,0,0,0|2,0,0]=4 6456 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [2,0,0,0,0,0|2,0,0]=4 6457 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [2,0,0,0,0,0|2,0,0]=4 6458 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [2,0,0,0,0,0|2,0,0]=4 6459 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [2,0,0,0,0,0|2,0,0]=4 6460 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [2,0,0,0,0,0|2,0,0]=4 6461 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [2,0,0,0,0,0|2,0,0]=4 6462 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [2,0,0,0,0,0|2,0,0]=4 6463 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [2,0,0,0,0,0|2,0,0]=4 6464 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [2,0,0,0,0,0|2,0,0]=4 6465 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [2,0,0,0,0,0|2,0,0]=4 6466 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [2,0,0,0,0,0|2,0,0]=4 6467 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [2,0,0,0,0,0|2,0,0]=4 6468 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [2,0,0,0,0,0|2,0,0]=4 6469 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [2,0,0,0,0,0|2,0,0]=4 6470 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [2,0,0,0,0,0|2,0,0]=4 6471 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [2,0,0,0,0,0|2,0,0]=4 6472 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [2,0,0,0,0,0|2,0,0]=4 6473 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [2,0,0,0,0,0|2,0,0]=4 6474 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [2,0,0,0,0,0|2,0,0]=4 6475 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 6476 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 6477 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 6478 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [2,0,0,0,0,0|2,0,0]=4 6479 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [2,0,0,0,0,0|2,0,0]=4 6480 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [2,0,0,0,0,0|2,0,0]=4 6481 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [2,0,0,0,0,0|2,0,0]=4 6482 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [2,0,0,0,0,0|2,0,0]=4 6483 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [2,0,0,0,0,0|2,0,0]=4 6484 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [2,0,0,0,0,0|2,0,0]=4 6485 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [2,0,0,0,0,0|2,0,0]=4 6486 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [2,0,0,0,0,0|2,0,0]=4 6487 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [2,0,0,0,0,0|2,0,0]=4 6488 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [2,0,0,0,0,0|2,0,0]=4 6489 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [2,0,0,0,0,0|2,0,0]=4 6490 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [2,0,0,0,0,0|2,0,0]=4 6491 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|2,0,0]=4 6492 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 6493 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [2,0,0,0,0,0|2,0,0]=4 6494 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [2,0,0,0,0,0|2,0,0]=4 6495 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [2,0,0,0,0,0|2,0,0]=4 6496 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 6497 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|2,0,0]=4 6498 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [2,0,0,0,0,0|2,0,0]=4 6499 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 6500 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [2,0,0,0,0,0|2,0,0]=4 6501 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [2,0,0,0,0,0|2,0,0]=4 6502 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [2,0,0,0,0,0|2,0,0]=4 6503 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 6504 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [2,0,0,0,0,0|2,0,0]=4 6505 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [2,0,0,0,0,0|2,0,0]=4 6506 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [2,0,0,0,0,0|2,0,0]=4 6507 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [2,0,0,0,0,0|2,0,0]=4 6508 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 6509 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [2,0,0,0,0,0|2,0,0]=4 6510 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [2,0,0,0,0,0|2,0,0]=4 6511 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [2,0,0,0,0,0|2,0,0]=4 6512 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [2,0,0,0,0,0|2,0,0]=4 6513 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [2,0,0,0,0,0|2,0,0]=4 6514 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [2,0,0,0,0,0|2,0,0]=4 6515 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [2,0,0,0,0,0|2,0,0]=4 6516 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 6517 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [2,0,0,0,0,0|2,0,0]=4 6518 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [2,0,0,0,0,0|2,0,0]=4 6519 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [2,0,0,0,0,0|2,0,0]=4 6520 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [2,0,0,0,0,0|2,0,0]=4 6521 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [2,0,0,0,0,0|2,0,0]=4 6522 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [2,0,0,0,0,0|2,0,0]=4 6523 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [2,0,0,0,0,0|2,0,0]=4 6524 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 6525 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [2,0,0,0,0,0|2,0,0]=4 6526 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [2,0,0,0,0,0|2,0,0]=4 6527 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [2,0,0,0,0,0|2,0,0]=4 6528 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [2,0,0,0,0,0|2,0,0]=4 6529 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 6530 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [2,0,0,0,0,0|2,0,0]=4 6531 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [2,0,0,0,0,0|2,0,0]=4 6532 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [2,0,0,0,0,0|2,0,0]=4 6533 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [2,0,0,0,0,0|2,0,0]=4 6534 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [2,0,0,0,0,0|2,0,0]=4 6535 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [2,0,0,0,0,0|2,0,0]=4 6536 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [2,0,0,0,0,0|2,0,0]=4 6537 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [2,0,0,0,0,0|2,0,0]=4 6538 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [2,0,0,0,0,0|2,0,0]=4 6539 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [2,0,0,0,0,0|2,0,0]=4 6540 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [2,0,0,0,0,0|2,0,0]=4 6541 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [2,0,0,0,0,0|2,0,0]=4 6542 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [2,0,0,0,0,0|2,0,0]=4 6543 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [2,0,0,0,0,0|2,0,0]=4 6544 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [2,0,0,0,0,0|2,0,0]=4 6545 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [2,0,0,0,0,0|2,0,0]=4 6546 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [2,0,0,0,0,0|2,0,0]=4 6547 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [2,0,0,0,0,0|2,0,0]=4 6548 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [2,0,0,0,0,0|2,0,0]=4 6549 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [2,0,0,0,0,0|2,0,0]=4 6550 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [2,0,0,0,0,0|2,0,0]=4 6551 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [2,0,0,0,0,0|2,0,0]=4 6552 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [2,0,0,0,0,0|2,0,0]=4 6553 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [2,0,0,0,0,0|2,0,0]=4 6554 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [2,0,0,0,0,0|2,0,0]=4 6555 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [2,0,0,0,0,0|2,0,0]=4 6556 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [2,0,0,0,0,0|2,0,0]=4 6557 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [2,0,0,0,0,0|2,0,0]=4 6558 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [2,0,0,0,0,0|2,0,0]=4 6559 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [2,0,0,0,0,0|2,0,0]=4 6560 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [2,0,0,0,0,0|2,0,0]=4 6561 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [2,0,0,0,0,0|2,0,0]=4 6562 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [2,0,0,0,0,0|2,0,0]=4 6563 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 6564 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [2,0,0,0,0,0|2,0,0]=4 6565 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [2,0,0,0,0,0|2,0,0]=4 6566 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [2,0,0,0,0,0|2,0,0]=4 6567 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [2,0,0,0,0,0|2,0,0]=4 6568 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [2,0,0,0,0,0|2,0,0]=4 6569 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [2,0,0,0,0,0|1,0,0]=3 6570 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,0]=3 6571 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [2,0,0,0,0,0|1,0,1]=4 6572 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [2,0,0,0,0,0|1,0,1]=4 6573 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 6574 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 6575 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 6576 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [2,0,0,0,0,0|1,0,0]=3 6577 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [2,0,0,0,0,0|1,0,0]=3 6578 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,1,0,0,0,0|1,0,1]=4 6579 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,1,0,0,0,0|1,0,1]=4 6580 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [1,1,0,0,0,0|2,0,0]=4 6581 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [1,1,0,0,0,0|2,0,0]=4 6582 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,1,0,0,0,0|1,0,1]=4 6583 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,1,0,0,0,0|1,0,1]=4 6584 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [1,1,0,0,0,0|2,0,0]=4 6585 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [1,1,0,0,0,0|2,0,0]=4 6586 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [1,1,0,0,0,0|2,0,0]=4 6587 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [1,1,0,0,0,0|2,0,0]=4 6588 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [1,1,0,0,0,0|2,0,0]=4 6589 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [1,1,0,0,0,0|2,0,0]=4 6590 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [1,1,0,0,0,0|2,0,0]=4 6591 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [1,1,0,0,0,0|2,0,0]=4 6592 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [1,1,0,0,0,0|2,0,0]=4 6593 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [1,1,0,0,0,0|2,0,0]=4 6594 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [1,1,0,0,0,0|2,0,0]=4 6595 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [1,1,0,0,0,0|2,0,0]=4 6596 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [1,1,0,0,0,0|2,0,0]=4 6597 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [1,1,0,0,0,0|2,0,0]=4 6598 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [1,1,0,0,0,0|2,0,0]=4 6599 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [1,1,0,0,0,0|2,0,0]=4 6600 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [1,1,0,0,0,0|2,0,0]=4 6601 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [1,1,0,0,0,0|2,0,0]=4 6602 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [1,1,0,0,0,0|2,0,0]=4 6603 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [1,1,0,0,0,0|2,0,0]=4 6604 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [1,1,0,0,0,0|2,0,0]=4 6605 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [1,1,0,0,0,0|2,0,0]=4 6606 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [1,1,0,0,0,0|2,0,0]=4 6607 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [1,1,0,0,0,0|2,0,0]=4 6608 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [1,1,0,0,0,0|2,0,0]=4 6609 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [1,1,0,0,0,0|2,0,0]=4 6610 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [1,1,0,0,0,0|2,0,0]=4 6611 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [1,1,0,0,0,0|2,0,0]=4 6612 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [1,1,0,0,0,0|2,0,0]=4 6613 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [1,1,0,0,0,0|2,0,0]=4 6614 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [1,1,0,0,0,0|2,0,0]=4 6615 B12R0.1 C=COCCCCOC(C)CCC 34a_100000031558_100000766640 [1,1,0,0,0,0|2,0,0]=4 6616 B12R0.1 C=COCCCCOC(C)CCC 7a_100000031558_100000766640 [1,1,0,0,0,0|2,0,0]=4 6617 B12R0.1 C=COCCCNCC(C)CCC 2230a_100000210767_100011216630 [1,1,0,0,0,0|2,0,0]=4 6618 B12R0.1 C=COCCCNCC(C)CCC 270004a_100000210767_100000243154 [1,1,0,0,0,0|2,0,0]=4 6619 B12R0.1 C=COCCCNCC(C)CCC 34a_100000210767_100011216630 [1,1,0,0,0,0|2,0,0]=4 6620 B12R0.1 C=COCCOCCC(C)CCC 34a_100011217855_100000039644 [1,1,0,0,0,0|2,0,0]=4 6621 B12R0.1 C=COCCOCCC(C)CCC 7a_100011217855_100000039644 [1,1,0,0,0,0|2,0,0]=4 6622 B12R0.1 C=COCCOCC[C@@H](N)CCC 34a_100015193777_100000039644 [1,1,0,0,0,0|2,0,0]=4 6623 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [1,1,0,0,0,0|2,0,0]=4 6624 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [1,1,0,0,0,0|2,0,0]=4 6625 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,1,0,0,0,0|0,0,2]=4 6626 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [1,1,0,0,0,0|1,0,1]=4 6627 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [1,1,0,0,0,0|1,0,1]=4 6628 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [1,1,0,0,0,0|1,0,1]=4 6629 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [1,1,0,0,0,0|1,0,1]=4 6630 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [1,1,0,0,0,0|1,0,0]=3 6631 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [1,1,0,0,0,0|1,0,1]=4 6632 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [1,1,0,0,0,0|1,0,1]=4 6633 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [1,1,0,0,0,0|1,0,0]=3 6634 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [1,1,0,0,0,0|1,0,1]=4 6635 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [1,1,0,0,0,0|1,0,1]=4 6636 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [1,1,0,0,0,0|1,0,1]=4 6637 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [1,1,0,0,0,0|1,0,0]=3 6638 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [1,1,0,0,0,0|1,0,0]=3 6639 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [1,1,0,0,0,0|1,0,1]=4 6640 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [1,1,0,0,0,0|1,0,1]=4 6641 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [1,1,0,0,0,0|1,0,0]=3 6642 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [1,1,0,0,0,0|1,0,1]=4 6643 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [1,1,0,0,0,0|1,0,1]=4 6644 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [1,1,0,0,0,0|1,0,1]=4 6645 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [1,1,0,0,0,0|1,0,0]=3 6646 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [1,1,0,0,0,0|1,0,0]=3 6647 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [1,1,0,0,0,0|1,0,0]=3 6648 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,1,0,0,0,0|0,0,2]=4 6649 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [1,1,0,0,0,0|1,0,1]=4 6650 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [1,1,0,0,0,0|0,0,1]=3 6651 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [1,1,0,0,0,0|0,0,1]=3 6652 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [1,1,0,0,0,0|0,0,1]=3 6653 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [1,1,0,0,0,0|0,0,1]=3 6654 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 6655 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 6656 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [1,1,0,0,0,0|1,0,1]=4 6657 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [1,1,0,0,0,0|1,0,1]=4 6658 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 6659 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 6660 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [1,1,0,0,0,0|1,0,1]=4 6661 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [1,1,0,0,0,0|1,0,1]=4 6662 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [1,1,0,0,0,0|1,0,1]=4 6663 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [1,1,0,0,0,0|1,0,1]=4 6664 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [1,1,0,0,0,0|1,0,1]=4 6665 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [1,1,0,0,0,0|1,0,1]=4 6666 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [1,1,0,0,0,0|1,0,1]=4 6667 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [1,1,0,0,0,0|1,0,1]=4 6668 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [1,1,0,0,0,0|1,0,1]=4 6669 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [1,1,0,0,0,0|1,0,1]=4 6670 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [1,1,0,0,0,0|1,0,1]=4 6671 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [1,1,0,0,0,0|1,0,1]=4 6672 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [1,1,0,0,0,0|1,0,1]=4 6673 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [1,1,0,0,0,0|1,0,1]=4 6674 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [1,1,0,0,0,0|1,0,1]=4 6675 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [1,1,0,0,0,0|1,0,1]=4 6676 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [1,1,0,0,0,0|1,0,1]=4 6677 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [1,1,0,0,0,0|1,0,1]=4 6678 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [1,1,0,0,0,0|1,0,1]=4 6679 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [1,1,0,0,0,0|1,0,1]=4 6680 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [1,1,0,0,0,0|1,0,1]=4 6681 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [1,1,0,0,0,0|2,0,0]=4 6682 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [1,1,0,0,0,0|2,0,0]=4 6683 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [1,1,0,0,0,0|2,0,0]=4 6684 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [1,1,0,0,0,0|2,0,0]=4 6685 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [1,1,0,0,0,0|2,0,0]=4 6686 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [1,1,0,0,0,0|2,0,0]=4 6687 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [1,1,0,0,0,0|2,0,0]=4 6688 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [1,1,0,0,0,0|1,0,1]=4 6689 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [1,1,0,0,0,0|1,0,1]=4 6690 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [1,1,0,0,0,0|1,0,1]=4 6691 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [1,1,0,0,0,0|1,0,1]=4 6692 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [1,1,0,0,0,0|2,0,0]=4 6693 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [1,1,0,0,0,0|2,0,0]=4 6694 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [1,1,0,0,0,0|2,0,0]=4 6695 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [1,1,0,0,0,0|2,0,0]=4 6696 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [1,1,0,0,0,0|2,0,0]=4 6697 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [1,1,0,0,0,0|2,0,0]=4 6698 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [1,1,0,0,0,0|2,0,0]=4 6699 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [1,1,0,0,0,0|2,0,0]=4 6700 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [1,1,0,0,0,0|2,0,0]=4 6701 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [1,1,0,0,0,0|2,0,0]=4 6702 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [1,1,0,0,0,0|2,0,0]=4 6703 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [1,1,0,0,0,0|2,0,0]=4 6704 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [1,1,0,0,0,0|2,0,0]=4 6705 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [1,1,0,0,0,0|2,0,0]=4 6706 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [1,1,0,0,0,0|2,0,0]=4 6707 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [1,1,0,0,0,0|2,0,0]=4 6708 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [1,1,0,0,0,0|2,0,0]=4 6709 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [1,1,0,0,0,0|2,0,0]=4 6710 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [1,1,0,0,0,0|2,0,0]=4 6711 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [1,1,0,0,0,0|2,0,0]=4 6712 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [1,1,0,0,0,0|2,0,0]=4 6713 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [1,1,0,0,0,0|2,0,0]=4 6714 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [1,1,0,0,0,0|2,0,0]=4 6715 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [1,1,0,0,0,0|2,0,0]=4 6716 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [1,1,0,0,0,0|2,0,0]=4 6717 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [1,1,0,0,0,0|1,0,1]=4 6718 B12R0.47 C=COCCN(C)CCCCCC 2230a_106256046315_100000039644 [1,1,0,0,0,0|2,0,0]=4 6719 B12R0.47 C=COCCN(C)CCCCCC 269982a_106256046315_100000039644 [1,1,0,0,0,0|2,0,0]=4 6720 B12R0.47 C=COCCNC(C)CCCCC 2230a_100000211957_100000039644 [1,1,0,0,0,0|2,0,0]=4 6721 B12R0.47 C=COCCOC(C)CCCCC 34a_100000033082_200011218191 [1,1,0,0,0,0|2,0,0]=4 6722 B12R0.47 C=COCCOC(C)CCCCC 34a_100011215632_100000039644 [1,1,0,0,0,0|2,0,0]=4 6723 B12R0.47 C=COCCOC(C)CCCCC 7a_100011215632_100000039644 [1,1,0,0,0,0|2,0,0]=4 6724 B12R0.47 C=COCCSC(C)CCCCC 62a_100000039644_200011218191 [1,1,0,0,0,0|2,0,0]=4 6725 B12R0.47 C=COCCSC(C)CCCCC 62a_200011218191_100000039644 [1,1,0,0,0,0|2,0,0]=4 6726 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [1,1,0,0,0,0|0,0,2]=4 6727 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [1,1,0,0,0,0|1,0,0]=3 6728 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [1,1,0,0,0,0|1,0,1]=4 6729 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [1,1,0,0,0,0|1,0,1]=4 6730 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [1,1,0,0,0,0|1,0,1]=4 6731 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [1,1,0,0,0,0|1,0,0]=3 6732 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [1,1,0,0,0,0|1,0,1]=4 6733 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [1,1,0,0,0,0|1,0,1]=4 6734 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [1,1,0,0,0,0|1,0,1]=4 6735 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [1,1,0,0,0,0|1,0,0]=3 6736 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [1,1,0,0,0,0|1,0,0]=3 6737 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [1,1,0,0,0,0|1,0,1]=4 6738 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [1,1,0,0,0,0|1,0,1]=4 6739 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [1,1,0,0,0,0|0,0,2]=4 6740 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [1,1,0,0,0,0|0,0,2]=4 6741 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 6742 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 6743 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [1,1,0,0,0,0|1,0,1]=4 6744 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [1,1,0,0,0,0|1,0,1]=4 6745 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [1,1,0,0,0,0|1,0,1]=4 6746 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [1,1,0,0,0,0|1,0,1]=4 6747 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [1,1,0,0,0,0|1,0,1]=4 6748 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [1,1,0,0,0,0|1,0,1]=4 6749 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [1,1,0,0,0,0|1,0,1]=4 6750 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [1,1,0,0,0,0|1,0,1]=4 6751 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [1,1,0,0,0,0|1,0,1]=4 6752 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [1,1,0,0,0,0|2,0,0]=4 6753 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [1,1,0,0,0,0|1,0,1]=4 6754 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [1,1,0,0,0,0|1,0,1]=4 6755 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 6756 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 6757 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [1,1,0,0,0,0|1,0,1]=4 6758 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [1,1,0,0,0,0|1,0,1]=4 6759 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [1,1,0,0,0,0|1,0,1]=4 6760 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [1,1,0,0,0,0|1,0,1]=4 6761 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 6762 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 6763 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [1,1,0,0,0,0|1,0,1]=4 6764 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [1,1,0,0,0,0|1,0,1]=4 6765 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [1,1,0,0,0,0|1,0,1]=4 6766 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [1,1,0,0,0,0|1,0,1]=4 6767 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 6768 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 6769 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 6770 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 6771 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [1,1,0,0,0,0|2,0,0]=4 6772 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 6773 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 6774 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [1,1,0,0,0,0|1,0,1]=4 6775 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [1,1,0,0,0,0|1,0,1]=4 6776 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [1,1,0,0,0,0|2,0,0]=4 6777 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [1,1,0,0,0,0|2,0,0]=4 6778 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [1,1,0,0,0,0|2,0,0]=4 6779 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [1,1,0,0,0,0|1,0,1]=4 6780 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [1,1,0,0,0,0|1,0,1]=4 6781 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [1,1,0,0,0,0|2,0,0]=4 6782 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [1,1,0,0,0,0|2,0,0]=4 6783 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [1,1,0,0,0,0|2,0,0]=4 6784 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [1,1,0,0,0,0|2,0,0]=4 6785 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [1,1,0,0,0,0|2,0,0]=4 6786 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [1,1,0,0,0,0|2,0,0]=4 6787 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [1,1,0,0,0,0|2,0,0]=4 6788 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [1,1,0,0,0,0|2,0,0]=4 6789 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [1,1,0,0,0,0|2,0,0]=4 6790 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [1,1,0,0,0,0|2,0,0]=4 6791 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [1,1,0,0,0,0|2,0,0]=4 6792 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [1,1,0,0,0,0|2,0,0]=4 6793 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [1,1,0,0,0,0|2,0,0]=4 6794 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [1,1,0,0,0,0|2,0,0]=4 6795 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [1,1,0,0,0,0|2,0,0]=4 6796 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [1,1,0,0,0,0|2,0,0]=4 6797 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [1,1,0,0,0,0|2,0,0]=4 6798 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [1,1,0,0,0,0|2,0,0]=4 6799 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [1,1,0,0,0,0|2,0,0]=4 6800 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [1,1,0,0,0,0|2,0,0]=4 6801 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [1,1,0,0,0,0|2,0,0]=4 6802 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [1,1,0,0,0,0|2,0,0]=4 6803 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [1,1,0,0,0,0|2,0,0]=4 6804 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [1,1,0,0,0,0|2,0,0]=4 6805 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [1,1,0,0,0,0|2,0,0]=4 6806 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [1,1,0,0,0,0|2,0,0]=4 6807 B12R0.206 C=COCCCNC(C)CCCC 2230a_100000210767_200011215066 [1,1,0,0,0,0|2,0,0]=4 6808 B12R0.206 C=COCCCNC(C)CCCC 270004a_100000210767_100000210087 [1,1,0,0,0,0|2,0,0]=4 6809 B12R0.206 C=COCCCNC(C)CCCC 34a_100000210767_200011215066 [1,1,0,0,0,0|2,0,0]=4 6810 B12R0.206 C=COCCOCC(C)CCCC 34a_100011995851_100000039644 [1,1,0,0,0,0|2,0,0]=4 6811 B12R0.206 C=COCCOCC(C)CCCC 7a_100011995851_100000039644 [1,1,0,0,0,0|2,0,0]=4 6812 B12R0.206 C=COCCOC[C@@H](N)CCCC 34a_100011934283_100000039644 [1,1,0,0,0,0|2,0,0]=4 6813 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [1,1,0,0,0,0|2,0,0]=4 6814 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [1,1,0,0,0,0|0,0,2]=4 6815 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [1,1,0,0,0,0|1,0,1]=4 6816 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [1,1,0,0,0,0|1,0,1]=4 6817 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [1,1,0,0,0,0|1,0,1]=4 6818 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [1,1,0,0,0,0|1,0,1]=4 6819 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [1,1,0,0,0,0|1,0,0]=3 6820 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [1,1,0,0,0,0|1,0,1]=4 6821 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [1,1,0,0,0,0|1,0,1]=4 6822 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [1,1,0,0,0,0|1,0,0]=3 6823 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [1,1,0,0,0,0|1,0,1]=4 6824 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [1,1,0,0,0,0|1,0,0]=3 6825 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [1,1,0,0,0,0|1,0,1]=4 6826 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [1,1,0,0,0,0|1,0,1]=4 6827 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [1,1,0,0,0,0|1,0,1]=4 6828 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [1,1,0,0,0,0|1,0,0]=3 6829 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [1,1,0,0,0,0|1,0,0]=3 6830 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [1,1,0,0,0,0|1,0,1]=4 6831 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [1,1,0,0,0,0|1,0,1]=4 6832 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [1,1,0,0,0,0|0,0,2]=4 6833 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [1,1,0,0,0,0|0,0,2]=4 6834 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [1,1,0,0,0,0|1,0,0]=3 6835 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [1,1,0,0,0,0|1,0,0]=3 6836 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [1,1,0,0,0,0|1,0,0]=3 6837 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [1,1,0,0,0,0|1,0,0]=3 6838 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [1,1,0,0,0,0|1,0,1]=4 6839 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [1,1,0,0,0,0|1,0,1]=4 6840 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [1,1,0,0,0,0|1,0,1]=4 6841 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [1,1,0,0,0,0|1,0,1]=4 6842 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [1,1,0,0,0,0|1,0,1]=4 6843 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [1,1,0,0,0,0|1,0,1]=4 6844 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [1,1,0,0,0,0|1,0,1]=4 6845 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 6846 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 6847 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [1,1,0,0,0,0|1,0,1]=4 6848 B12R0.206 CCCOC(C)CNCCCC=O 2230a_100015185124_200011292268 [1,1,0,0,0,0|2,0,0]=4 6849 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [1,1,0,0,0,0|2,0,0]=4 6850 B12R0.206 CCOCC(O)CNCCCC=O 2230a_102515437182_200011292268 [1,1,0,0,0,0|2,0,0]=4 6851 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 6852 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 6853 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 6854 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 6855 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 6856 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 6857 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [1,1,0,0,0,0|2,0,0]=4 6858 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,1,0,0,0,0|0,0,2]=4 6859 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,1,0,0,0,0|0,0,2]=4 6860 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [1,1,0,0,0,0|2,0,0]=4 6861 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [1,1,0,0,0,0|2,0,0]=4 6862 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [1,1,0,0,0,0|2,0,0]=4 6863 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [1,1,0,0,0,0|2,0,0]=4 6864 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [1,1,0,0,0,0|2,0,0]=4 6865 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [1,1,0,0,0,0|1,0,1]=4 6866 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [1,1,0,0,0,0|1,0,1]=4 6867 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [1,1,0,0,0,0|2,0,0]=4 6868 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [1,1,0,0,0,0|2,0,0]=4 6869 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [1,1,0,0,0,0|2,0,0]=4 6870 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [1,1,0,0,0,0|2,0,0]=4 6871 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [1,1,0,0,0,0|2,0,0]=4 6872 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [1,1,0,0,0,0|2,0,0]=4 6873 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [1,1,0,0,0,0|2,0,0]=4 6874 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [1,1,0,0,0,0|2,0,0]=4 6875 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [1,1,0,0,0,0|2,0,0]=4 6876 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [1,1,0,0,0,0|2,0,0]=4 6877 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [1,1,0,0,0,0|2,0,0]=4 6878 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [1,1,0,0,0,0|2,0,0]=4 6879 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [1,1,0,0,0,0|2,0,0]=4 6880 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [1,1,0,0,0,0|2,0,0]=4 6881 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [1,1,0,0,0,0|2,0,0]=4 6882 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [1,1,0,0,0,0|2,0,0]=4 6883 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,1,0,0,0,0|0,0,2]=4 6884 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,1,0,0,0,0|0,0,2]=4 6885 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,1,0,0,0,0|0,0,2]=4 6886 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [1,1,0,0,0,0|2,0,0]=4 6887 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [1,1,0,0,0,0|2,0,0]=4 6888 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [1,1,0,0,0,0|2,0,0]=4 6889 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [1,1,0,0,0,0|2,0,0]=4 6890 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [1,1,0,0,0,0|2,0,0]=4 6891 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [1,1,0,0,0,0|2,0,0]=4 6892 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [1,1,0,0,0,0|2,0,0]=4 6893 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [1,1,0,0,0,0|2,0,0]=4 6894 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [1,1,0,0,0,0|2,0,0]=4 6895 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [1,1,0,0,0,0|2,0,0]=4 6896 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [1,1,0,0,0,0|2,0,0]=4 6897 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [1,1,0,0,0,0|2,0,0]=4 6898 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [1,1,0,0,0,0|2,0,0]=4 6899 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [1,1,0,0,0,0|2,0,0]=4 6900 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [1,1,0,0,0,0|2,0,0]=4 6901 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [1,1,0,0,0,0|2,0,0]=4 6902 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [1,1,0,0,0,0|2,0,0]=4 6903 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [1,1,0,0,0,0|2,0,0]=4 6904 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [1,1,0,0,0,0|2,0,0]=4 6905 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [1,1,0,0,0,0|2,0,0]=4 6906 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [1,1,0,0,0,0|2,0,0]=4 6907 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [1,1,0,0,0,0|2,0,0]=4 6908 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [1,1,0,0,0,0|2,0,0]=4 6909 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [1,1,0,0,0,0|2,0,0]=4 6910 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [1,1,0,0,0,0|2,0,0]=4 6911 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [1,1,0,0,0,0|2,0,0]=4 6912 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [1,1,0,0,0,0|2,0,0]=4 6913 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [1,1,0,0,0,0|2,0,0]=4 6914 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [1,1,0,0,0,0|2,0,0]=4 6915 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [1,1,0,0,0,0|2,0,0]=4 6916 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [1,1,0,0,0,0|2,0,0]=4 6917 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [1,1,0,0,0,0|2,0,0]=4 6918 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [1,1,0,0,0,0|2,0,0]=4 6919 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [1,1,0,0,0,0|2,0,0]=4 6920 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [1,1,0,0,0,0|2,0,0]=4 6921 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [1,1,0,0,0,0|2,0,0]=4 6922 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [1,1,0,0,0,0|2,0,0]=4 6923 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [1,1,0,0,0,0|2,0,0]=4 6924 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [1,1,0,0,0,0|2,0,0]=4 6925 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [1,1,0,0,0,0|2,0,0]=4 6926 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [1,1,0,0,0,0|2,0,0]=4 6927 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [1,1,0,0,0,0|2,0,0]=4 6928 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [1,1,0,0,0,0|2,0,0]=4 6929 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [1,1,0,0,0,0|2,0,0]=4 6930 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [1,1,0,0,0,0|2,0,0]=4 6931 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [1,1,0,0,0,0|2,0,0]=4 6932 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [1,1,0,0,0,0|2,0,0]=4 6933 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [1,1,0,0,0,0|2,0,0]=4 6934 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [1,1,0,0,0,0|2,0,0]=4 6935 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [1,1,0,0,0,0|2,0,0]=4 6936 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [1,1,0,0,0,0|2,0,0]=4 6937 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [1,1,0,0,0,0|2,0,0]=4 6938 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [1,1,0,0,0,0|2,0,0]=4 6939 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [1,1,0,0,0,0|2,0,0]=4 6940 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [1,1,0,0,0,0|2,0,0]=4 6941 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [1,1,0,0,0,0|2,0,0]=4 6942 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [1,1,0,0,0,0|2,0,0]=4 6943 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [1,1,0,0,0,0|2,0,0]=4 6944 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [1,1,0,0,0,0|2,0,0]=4 6945 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [1,1,0,0,0,0|2,0,0]=4 6946 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [1,1,0,0,0,0|2,0,0]=4 6947 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [1,1,0,0,0,0|2,0,0]=4 6948 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [1,1,0,0,0,0|2,0,0]=4 6949 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [1,1,0,0,0,0|2,0,0]=4 6950 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [1,1,0,0,0,0|2,0,0]=4 6951 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [1,1,0,0,0,0|2,0,0]=4 6952 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [1,1,0,0,0,0|2,0,0]=4 6953 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [1,1,0,0,0,0|2,0,0]=4 6954 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [1,1,0,0,0,0|2,0,0]=4 6955 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [1,1,0,0,0,0|2,0,0]=4 6956 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [1,1,0,0,0,0|2,0,0]=4 6957 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [1,1,0,0,0,0|2,0,0]=4 6958 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [1,1,0,0,0,0|2,0,0]=4 6959 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [1,1,0,0,0,0|2,0,0]=4 6960 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [1,1,0,0,0,0|2,0,0]=4 6961 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [1,1,0,0,0,0|2,0,0]=4 6962 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [1,1,0,0,0,0|2,0,0]=4 6963 B12R0.234 C=COCCCCOCCC(C)C 34a_100000031558_100000210312 [1,1,0,0,0,0|2,0,0]=4 6964 B12R0.234 C=COCCCCOCCC(C)C 7a_100000031558_100000210626 [1,1,0,0,0,0|2,0,0]=4 6965 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [1,1,0,0,0,0|2,0,0]=4 6966 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [1,1,0,0,0,0|2,0,0]=4 6967 B12R0.234 C=COCCCNCCCC(C)C 2230a_100000210767_100011214892 [1,1,0,0,0,0|2,0,0]=4 6968 B12R0.234 C=COCCCNCCCC(C)C 34a_100000210767_100011214892 [1,1,0,0,0,0|2,0,0]=4 6969 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [1,1,0,0,0,0|2,0,0]=4 6970 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [1,1,0,0,0,0|2,0,0]=4 6971 B12R0.234 C=COCCOCCCCC(C)C 34a_100000033082_100011216152 [1,1,0,0,0,0|2,0,0]=4 6972 B12R0.234 C=COCCOCCCCC(C)C 34a_100011214890_100000039644 [1,1,0,0,0,0|2,0,0]=4 6973 B12R0.234 C=COCCOCCCCC(C)C 7a_100011214890_100000039644 [1,1,0,0,0,0|2,0,0]=4 6974 B12R0.234 C=COCCSCCCCC(C)C 62a_100000039644_100011216152 [1,1,0,0,0,0|2,0,0]=4 6975 B12R0.234 C=COCCSCCCCC(C)C 62a_100011216152_100000039644 [1,1,0,0,0,0|2,0,0]=4 6976 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,1,0,0,0,0|0,0,2]=4 6977 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,1,0,0,0,0|0,0,2]=4 6978 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,1,0,0,0,0|1,0,0]=3 6979 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,1,0,0,0,0|1,0,0]=3 6980 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,1,0,0,0,0|2,0,0]=4 6981 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,1,0,0,0,0|2,0,0]=4 6982 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,1,0,0,0,0|2,0,0]=4 6983 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,1,0,0,0,0|2,0,0]=4 6984 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,1,0,0,0,0|2,0,0]=4 6985 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,1,0,0,0,0|2,0,0]=4 6986 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,1,0,0,0,0|2,0,0]=4 6987 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,1,0,0,0,0|2,0,0]=4 6988 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,1,0,0,0,0|1,0,1]=4 6989 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,1,0,0,0,0|1,0,1]=4 6990 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,1,0,0,0,0|2,0,0]=4 6991 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,1,0,0,0,0|2,0,0]=4 6992 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,1,0,0,0,0|2,0,0]=4 6993 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,1,0,0,0,0|2,0,0]=4 6994 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 6995 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,1,0,0,0,0|1,0,1]=4 6996 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,1,0,0,0,0|2,0,0]=4 6997 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,1,0,0,0,0|2,0,0]=4 6998 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,1,0,0,0,0|2,0,0]=4 6999 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 7000 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 7001 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 7002 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,1,0,0,0,0|2,0,0]=4 7003 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,1,0,0,0,0|2,0,0]=4 7004 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 7005 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 7006 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 7007 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,1,0,0,0,0|1,0,1]=4 7008 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,1,0,0,0,0|1,0,1]=4 7009 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,1,0,0,0,0|2,0,0]=4 7010 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,1,0,0,0,0|2,0,0]=4 7011 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 7012 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,1,0,0,0,0|2,0,0]=4 7013 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,1,0,0,0,0|1,0,1]=4 7014 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,1,0,0,0,0|2,0,0]=4 7015 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,1,0,0,0,0|2,0,0]=4 7016 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,1,0,0,0,0|2,0,0]=4 7017 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,1,0,0,0,0|2,0,0]=4 7018 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,1,0,0,0,0|2,0,0]=4 7019 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,1,0,0,0,0|2,0,0]=4 7020 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,1,0,0,0,0|2,0,0]=4 7021 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,1,0,0,0,0|1,0,1]=4 7022 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,1,0,0,0,0|1,0,1]=4 7023 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,1,0,0,0,0|2,0,0]=4 7024 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,1,0,0,0,0|2,0,0]=4 7025 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,1,0,0,0,0|2,0,0]=4 7026 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,1,0,0,0,0|2,0,0]=4 7027 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,1,0,0,0,0|2,0,0]=4 7028 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,1,0,0,0,0|2,0,0]=4 7029 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [1,1,0,0,0,0|2,0,0]=4 7030 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [1,1,0,0,0,0|2,0,0]=4 7031 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [1,1,0,0,0,0|2,0,0]=4 7032 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [1,1,0,0,0,0|2,0,0]=4 7033 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [1,1,0,0,0,0|2,0,0]=4 7034 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [1,1,0,0,0,0|2,0,0]=4 7035 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [1,1,0,0,0,0|2,0,0]=4 7036 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [1,1,0,0,0,0|2,0,0]=4 7037 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [1,1,0,0,0,0|2,0,0]=4 7038 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [1,1,0,0,0,0|2,0,0]=4 7039 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [1,1,0,0,0,0|2,0,0]=4 7040 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [1,1,0,0,0,0|2,0,0]=4 7041 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [1,1,0,0,0,0|2,0,0]=4 7042 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [1,1,0,0,0,0|2,0,0]=4 7043 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [1,1,0,0,0,0|2,0,0]=4 7044 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [1,1,0,0,0,0|2,0,0]=4 7045 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [1,1,0,0,0,0|2,0,0]=4 7046 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [1,1,0,0,0,0|2,0,0]=4 7047 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [1,1,0,0,0,0|2,0,0]=4 7048 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [1,1,0,0,0,0|2,0,0]=4 7049 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [1,1,0,0,0,0|2,0,0]=4 7050 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [1,1,0,0,0,0|2,0,0]=4 7051 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [1,1,0,0,0,0|2,0,0]=4 7052 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [1,1,0,0,0,0|2,0,0]=4 7053 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [1,1,0,0,0,0|2,0,0]=4 7054 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [1,1,0,0,0,0|2,0,0]=4 7055 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [1,1,0,0,0,0|2,0,0]=4 7056 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [1,1,0,0,0,0|2,0,0]=4 7057 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [1,1,0,0,0,0|2,0,0]=4 7058 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [1,1,0,0,0,0|2,0,0]=4 7059 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [1,1,0,0,0,0|2,0,0]=4 7060 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [1,1,0,0,0,0|2,0,0]=4 7061 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [1,1,0,0,0,0|2,0,0]=4 7062 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [1,1,0,0,0,0|2,0,0]=4 7063 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [1,1,0,0,0,0|2,0,0]=4 7064 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [1,1,0,0,0,0|2,0,0]=4 7065 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [1,1,0,0,0,0|2,0,0]=4 7066 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [1,1,0,0,0,0|2,0,0]=4 7067 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [1,1,0,0,0,0|2,0,0]=4 7068 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [1,1,0,0,0,0|2,0,0]=4 7069 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [1,1,0,0,0,0|2,0,0]=4 7070 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [1,1,0,0,0,0|2,0,0]=4 7071 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [1,1,0,0,0,0|2,0,0]=4 7072 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [1,1,0,0,0,0|2,0,0]=4 7073 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [1,1,0,0,0,0|2,0,0]=4 7074 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [1,1,0,0,0,0|2,0,0]=4 7075 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [1,1,0,0,0,0|2,0,0]=4 7076 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [1,1,0,0,0,0|2,0,0]=4 7077 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [1,1,0,0,0,0|2,0,0]=4 7078 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [1,1,0,0,0,0|2,0,0]=4 7079 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [1,1,0,0,0,0|2,0,0]=4 7080 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [1,1,0,0,0,0|2,0,0]=4 7081 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [1,1,0,0,0,0|2,0,0]=4 7082 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [1,1,0,0,0,0|2,0,0]=4 7083 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [1,1,0,0,0,0|2,0,0]=4 7084 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [1,1,0,0,0,0|1,0,1]=4 7085 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [1,1,0,0,0,0|1,0,1]=4 7086 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [1,1,0,0,0,0|1,0,0]=3 7087 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [1,1,0,0,0,0|1,0,0]=3 7088 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [1,1,0,0,0,0|2,0,0]=4 7089 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [1,1,0,0,0,0|1,0,0]=3 7090 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [1,1,0,0,0,0|1,0,0]=3 7091 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [1,1,0,0,0,0|1,0,0]=3 7092 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [1,1,0,0,0,0|1,0,0]=3 7093 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [1,1,0,0,0,0|1,0,0]=3 7094 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [1,1,0,0,0,0|1,0,0]=3 7095 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [1,1,0,0,0,0|1,0,0]=3 7096 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [1,1,0,0,0,0|1,0,0]=3 7097 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [1,1,0,0,0,0|1,0,0]=3 7098 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [1,1,0,0,0,0|1,0,0]=3 7099 B12R0.234 CC(C)COCCOCCCC=O 7a_100000703358_200011292268 [1,1,0,0,0,0|2,0,0]=4 7100 B12R0.234 CC(C)CSCCOCCCC=O 7a_200000230437_200011292268 [1,1,0,0,0,0|2,0,0]=4 7101 B12R0.234 CC(C)NCCCCCOCC=O 34a_100011629493_200009817547 [1,1,0,0,0,0|2,0,0]=4 7102 B12R0.234 CC(C)OCCCNCCCC=O 2230a_100000737246_200011292268 [1,1,0,0,0,0|2,0,0]=4 7103 B12R0.234 CC(C)OCCNCCCCC=O 2230a_100000701111_100000139335 [1,1,0,0,0,0|2,0,0]=4 7104 B12R0.234 CC(C)OCCOCCCCC=O 7a_100000211219_100000139335 [1,1,0,0,0,0|2,0,0]=4 7105 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000139335_100000211751 [1,1,0,0,0,0|2,0,0]=4 7106 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000211751_100000139335 [1,1,0,0,0,0|2,0,0]=4 7107 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000139337_100000709892 [1,1,0,0,0,0|2,0,0]=4 7108 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000709892_100000139337 [1,1,0,0,0,0|2,0,0]=4 7109 B12R0.234 CC(C)SCCNCCCCC=O 2230a_100000731138_100000139335 [1,1,0,0,0,0|2,0,0]=4 7110 B12R0.234 CC(C)SCCOCCCCC=O 7a_200011212901_100000139335 [1,1,0,0,0,0|2,0,0]=4 7111 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000139335_100000730970 [1,1,0,0,0,0|2,0,0]=4 7112 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000730970_100000139335 [1,1,0,0,0,0|2,0,0]=4 7113 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [1,1,0,0,0,0|1,0,0]=3 7114 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [1,1,0,0,0,0|1,0,0]=3 7115 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [1,1,0,0,0,0|1,0,0]=3 7116 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [1,1,0,0,0,0|1,0,0]=3 7117 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [1,1,0,0,0,0|1,0,0]=3 7118 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [1,1,0,0,0,0|0,0,2]=4 7119 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,1,0,0,0,0|0,0,2]=4 7120 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,1,0,0,0,0|0,0,2]=4 7121 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,1,0,0,0,0|0,0,0]=2 7122 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,1,0,0,0,0|0,0,0]=2 7123 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,1,0,0,0,0|0,0,0]=2 7124 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [1,1,0,0,0,0|1,0,1]=4 7125 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [1,1,0,0,0,0|1,0,1]=4 7126 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [1,1,0,0,0,0|1,0,1]=4 7127 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [1,1,0,0,0,0|1,0,1]=4 7128 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [1,1,0,0,0,0|1,0,1]=4 7129 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [1,1,0,0,0,0|1,0,1]=4 7130 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 7131 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 7132 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 7133 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,1,0,0,0,0|1,0,0]=3 7134 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [1,1,0,0,0,0|1,0,1]=4 7135 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [1,1,0,0,0,0|1,0,1]=4 7136 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [1,1,0,0,0,0|1,0,1]=4 7137 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,1,0,0,0,0|1,0,0]=3 7138 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,1,0,0,0,0|1,0,0]=3 7139 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,1,0,0,0,0|1,0,0]=3 7140 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,1,0,0,0,0|1,0,0]=3 7141 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,1,0,0,0,0|1,0,0]=3 7142 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [1,1,0,0,0,0|2,0,0]=4 7143 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,1,0,0,0,0|1,0,0]=3 7144 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,1,0,0,0,0|1,0,0]=3 7145 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,1,0,0,0,0|1,0,0]=3 7146 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,1,0,0,0,0|1,0,0]=3 7147 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,1,0,0,0,0|1,0,0]=3 7148 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,1,0,0,0,0|1,0,0]=3 7149 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [1,1,0,0,0,0|2,0,0]=4 7150 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,1,0,0,0,0|1,0,0]=3 7151 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,1,0,0,0,0|1,0,0]=3 7152 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,1,0,0,0,0|1,0,0]=3 7153 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,1,0,0,0,0|1,0,0]=3 7154 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [1,1,0,0,0,0|2,0,0]=4 7155 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,1,0,0,0,0|1,0,0]=3 7156 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,1,0,0,0,0|2,0,0]=4 7157 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,1,0,0,0,0|1,0,0]=3 7158 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,1,0,0,0,0|1,0,0]=3 7159 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,1,0,0,0,0|1,0,0]=3 7160 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,1,0,0,0,0|1,0,0]=3 7161 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,1,0,0,0,0|1,0,0]=3 7162 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,1,0,0,0,0|1,0,0]=3 7163 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,1,0,0,0,0|1,0,0]=3 7164 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [1,1,0,0,0,0|1,0,0]=3 7165 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,1,0,0,0,0|1,0,0]=3 7166 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,1,0,0,0,0|1,0,0]=3 7167 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,1,0,0,0,0|1,0,0]=3 7168 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,1,0,0,0,0|1,0,0]=3 7169 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [1,1,0,0,0,0|1,0,0]=3 7170 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [1,1,0,0,0,0|1,0,0]=3 7171 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,1,0,0,0,0|1,0,0]=3 7172 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [1,1,0,0,0,0|1,1,0]=4 7173 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [1,1,0,0,0,0|2,0,0]=4 7174 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [1,1,0,0,0,0|2,0,0]=4 7175 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [1,1,0,0,0,0|2,0,0]=4 7176 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [1,1,0,0,0,0|2,0,0]=4 7177 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,1,0,0,0,0|1,0,0]=3 7178 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,1,0,0,0,0|1,0,0]=3 7179 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,1,0,0,0,0|1,0,0]=3 7180 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,1,0,0,0,0|1,0,0]=3 7181 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,1,0,0,0,0|1,0,0]=3 7182 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,1,0,0,0,0|1,0,0]=3 7183 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [1,1,0,0,0,0|2,0,0]=4 7184 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [1,1,0,0,0,0|2,0,0]=4 7185 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [1,1,0,0,0,0|2,0,0]=4 7186 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [1,1,0,0,0,0|2,0,0]=4 7187 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [1,1,0,0,0,0|2,0,0]=4 7188 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [1,1,0,0,0,0|1,0,0]=3 7189 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [1,1,0,0,0,0|1,0,0]=3 7190 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [1,1,0,0,0,0|1,0,0]=3 7191 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [1,1,0,0,0,0|1,0,0]=3 7192 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [1,1,0,0,0,0|1,0,0]=3 7193 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,1,0,0,0,0|1,0,0]=3 7194 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,1,0,0,0,0|1,0,0]=3 7195 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,1,0,0,0,0|1,0,0]=3 7196 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,1,0,0,0,0|1,0,0]=3 7197 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [1,1,0,0,0,0|2,0,0]=4 7198 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [1,1,0,0,0,0|2,0,0]=4 7199 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [1,1,0,0,0,0|2,0,0]=4 7200 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [1,1,0,0,0,0|2,0,0]=4 7201 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [1,1,0,0,0,0|1,0,0]=3 7202 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [1,1,0,0,0,0|1,0,0]=3 7203 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [1,1,0,0,0,0|1,0,0]=3 7204 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [1,1,0,0,0,0|1,0,0]=3 7205 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,1,0,0,0,0|1,0,0]=3 7206 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,1,0,0,0,0|2,0,0]=4 7207 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [1,1,0,0,0,0|1,1,0]=4 7208 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,1,0,0,0,0|1,1,0]=4 7209 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,1,0,0,0,0|2,0,0]=4 7210 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,1,0,0,0,0|2,0,0]=4 7211 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,1,0,0,0,0|2,0,0]=4 7212 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,1,0,0,0,0|2,0,0]=4 7213 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,1,0,0,0,0|1,0,0]=3 7214 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,1,0,0,0,0|1,0,0]=3 7215 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,1,0,0,0,0|1,0,0]=3 7216 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,1,0,0,0,0|1,0,0]=3 7217 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [1,1,0,0,0,0|2,0,0]=4 7218 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [1,1,0,0,0,0|2,0,0]=4 7219 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,1,0,0,0,0|2,0,0]=4 7220 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,1,0,0,0,0|1,0,0]=3 7221 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,1,0,0,0,0|1,0,0]=3 7222 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [1,1,0,0,0,0|1,1,0]=4 7223 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [1,1,0,0,0,0|1,1,0]=4 7224 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,1,0,0,0,0|1,1,0]=4 7225 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,1,0,0,0,0|1,1,0]=4 7226 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 7227 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 7228 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 7229 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 7230 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,1,0,0,0,0|2,0,0]=4 7231 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,1,0,0,0,0|1,0,0]=3 7232 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,1,0,0,0,0|1,0,0]=3 7233 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,1,0,0,0,0|1,0,0]=3 7234 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,1,0,0,0,0|1,0,0]=3 7235 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [1,1,0,0,0,0|1,1,0]=4 7236 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [1,1,0,0,0,0|1,1,0]=4 7237 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,1,0,0,0,0|1,1,0]=4 7238 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,1,0,0,0,0|1,1,0]=4 7239 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,1,0,0,0,0|2,0,0]=4 7240 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,1,0,0,0,0|2,0,0]=4 7241 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,1,0,0,0,0|1,0,0]=3 7242 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,1,0,0,0,0|1,0,0]=3 7243 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [1,1,0,0,0,0|2,0,0]=4 7244 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [1,1,0,0,0,0|2,0,0]=4 7245 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [1,1,0,0,0,0|1,0,0]=3 7246 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [1,1,0,0,0,0|2,0,0]=4 7247 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [1,1,0,0,0,0|1,1,0]=4 7248 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [1,1,0,0,0,0|1,1,0]=4 7249 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,1,0,0,0,0|1,0,0]=3 7250 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,1,0,0,0,0|1,0,0]=3 7251 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,1,0,0,0,0|1,0,0]=3 7252 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,1,0,0,0,0|1,0,0]=3 7253 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,1,0,0,0,0|1,0,0]=3 7254 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [1,1,0,0,0,0|1,0,0]=3 7255 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [1,1,0,0,0,0|1,0,0]=3 7256 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [1,1,0,0,0,0|1,0,0]=3 7257 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [1,1,0,0,0,0|1,0,0]=3 7258 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [1,1,0,0,0,0|2,0,0]=4 7259 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [1,1,0,0,0,0|2,0,0]=4 7260 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [1,1,0,0,0,0|1,1,0]=4 7261 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [1,1,0,0,0,0|1,1,0]=4 7262 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [1,1,0,0,0,0|2,0,0]=4 7263 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [1,1,0,0,0,0|2,0,0]=4 7264 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [1,1,0,0,0,0|2,0,0]=4 7265 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [1,1,0,0,0,0|2,0,0]=4 7266 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [1,1,0,0,0,0|2,0,0]=4 7267 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [1,1,0,0,0,0|2,0,0]=4 7268 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [1,1,0,0,0,0|2,0,0]=4 7269 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [1,1,0,0,0,0|2,0,0]=4 7270 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [1,1,0,0,0,0|2,0,0]=4 7271 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [1,1,0,0,0,0|2,0,0]=4 7272 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [1,1,0,0,0,0|2,0,0]=4 7273 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [1,1,0,0,0,0|2,0,0]=4 7274 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [1,1,0,0,0,0|2,0,0]=4 7275 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [1,1,0,0,0,0|2,0,0]=4 7276 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [1,1,0,0,0,0|2,0,0]=4 7277 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [1,1,0,0,0,0|2,0,0]=4 7278 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [1,1,0,0,0,0|2,0,0]=4 7279 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [1,1,0,0,0,0|2,0,0]=4 7280 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [1,1,0,0,0,0|2,0,0]=4 7281 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [1,1,0,0,0,0|2,0,0]=4 7282 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,1,0,0,0,0|2,0,0]=4 7283 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,1,0,0,0,0|2,0,0]=4 7284 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [1,1,0,0,0,0|2,0,0]=4 7285 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,1,0,0,0,0|2,0,0]=4 7286 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,1,0,0,0,0|2,0,0]=4 7287 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,1,0,0,0,0|2,0,0]=4 7288 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,1,0,0,0,0|2,0,0]=4 7289 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [1,1,0,0,0,0|2,0,0]=4 7290 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [1,1,0,0,0,0|2,0,0]=4 7291 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [1,1,0,0,0,0|2,0,0]=4 7292 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [1,1,0,0,0,0|2,0,0]=4 7293 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,1,0,0,0,0|1,0,0]=3 7294 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,1,0,0,0,0|1,0,0]=3 7295 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [1,1,0,0,0,0|1,0,0]=3 7296 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [1,1,0,0,0,0|1,0,0]=3 7297 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [1,1,0,0,0,0|2,0,0]=4 7298 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [1,1,0,0,0,0|1,1,0]=4 7299 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [1,1,0,0,0,0|1,1,0]=4 7300 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [1,1,0,0,0,0|2,0,0]=4 7301 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [1,1,0,0,0,0|2,0,0]=4 7302 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [1,1,0,0,0,0|2,0,0]=4 7303 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [1,1,0,0,0,0|2,0,0]=4 7304 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [1,1,0,0,0,0|2,0,0]=4 7305 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [1,1,0,0,0,0|2,0,0]=4 7306 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [1,1,0,0,0,0|2,0,0]=4 7307 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [1,1,0,0,0,0|2,0,0]=4 7308 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [1,1,0,0,0,0|2,0,0]=4 7309 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [1,1,0,0,0,0|1,0,0]=3 7310 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [1,1,0,0,0,0|2,0,0]=4 7311 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [1,1,0,0,0,0|2,0,0]=4 7312 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [1,1,0,0,0,0|2,0,0]=4 7313 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,1,0,0,0,0|2,0,0]=4 7314 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,1,0,0,0,0|2,0,0]=4 7315 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,1,0,0,0,0|2,0,0]=4 7316 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [1,1,0,0,0,0|2,0,0]=4 7317 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [1,1,0,0,0,0|2,0,0]=4 7318 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,1,0,0,0,0|2,0,0]=4 7319 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 7320 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,1,0,0,0,0|2,0,0]=4 7321 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 7322 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 7323 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 7324 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [1,1,0,0,0,0|2,0,0]=4 7325 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [1,1,0,0,0,0|2,0,0]=4 7326 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [1,1,0,0,0,0|2,0,0]=4 7327 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [1,1,0,0,0,0|2,0,0]=4 7328 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [1,1,0,0,0,0|2,0,0]=4 7329 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [1,1,0,0,0,0|2,0,0]=4 7330 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,1,0,0,0,0|2,0,0]=4 7331 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,1,0,0,0,0|2,0,0]=4 7332 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,1,0,0,0,0|2,0,0]=4 7333 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,1,0,0,0,0|2,0,0]=4 7334 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [1,1,0,0,0,0|2,0,0]=4 7335 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [1,1,0,0,0,0|2,0,0]=4 7336 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [1,1,0,0,0,0|2,0,0]=4 7337 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [1,1,0,0,0,0|2,0,0]=4 7338 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [1,1,0,0,0,0|1,0,0]=3 7339 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [1,1,0,0,0,0|1,0,0]=3 7340 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,1,0,0,0,0|2,0,0]=4 7341 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,1,0,0,0,0|2,0,0]=4 7342 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 7343 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 7344 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [1,1,0,0,0,0|2,0,0]=4 7345 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [1,1,0,0,0,0|2,0,0]=4 7346 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [1,1,0,0,0,0|2,0,0]=4 7347 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [1,1,0,0,0,0|2,0,0]=4 7348 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [1,1,0,0,0,0|2,0,0]=4 7349 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [1,1,0,0,0,0|2,0,0]=4 7350 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [1,1,0,0,0,0|2,0,0]=4 7351 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [1,1,0,0,0,0|2,0,0]=4 7352 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [1,1,0,0,0,0|1,0,1]=4 7353 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [1,1,0,0,0,0|1,0,1]=4 7354 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,1,0,0,0,0|2,0,0]=4 7355 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,1,0,0,0,0|2,0,0]=4 7356 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,1,0,0,0,0|2,0,0]=4 7357 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [1,1,0,0,0,0|2,0,0]=4 7358 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [1,1,0,0,0,0|2,0,0]=4 7359 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,1,0,0,0,0|2,0,0]=4 7360 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 7361 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,1,0,0,0,0|2,0,0]=4 7362 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 7363 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 7364 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 7365 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [1,1,0,0,0,0|2,0,0]=4 7366 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [1,1,0,0,0,0|2,0,0]=4 7367 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [1,1,0,0,0,0|2,0,0]=4 7368 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [1,1,0,0,0,0|2,0,0]=4 7369 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [1,1,0,0,0,0|2,0,0]=4 7370 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,1,0,0,0,0|2,0,0]=4 7371 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,1,0,0,0,0|2,0,0]=4 7372 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,1,0,0,0,0|2,0,0]=4 7373 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,1,0,0,0,0|2,0,0]=4 7374 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [1,1,0,0,0,0|2,0,0]=4 7375 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [1,1,0,0,0,0|2,0,0]=4 7376 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [1,1,0,0,0,0|2,0,0]=4 7377 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [1,1,0,0,0,0|2,0,0]=4 7378 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [1,1,0,0,0,0|2,0,0]=4 7379 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [1,1,0,0,0,0|2,0,0]=4 7380 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [1,1,0,0,0,0|2,0,0]=4 7381 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [1,1,0,0,0,0|2,0,0]=4 7382 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [1,1,0,0,0,0|2,0,0]=4 7383 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [1,1,0,0,0,0|2,0,0]=4 7384 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [1,1,0,0,0,0|2,0,0]=4 7385 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [1,1,0,0,0,0|2,0,0]=4 7386 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [1,1,0,0,0,0|2,0,0]=4 7387 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [1,1,0,0,0,0|2,0,0]=4 7388 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [1,1,0,0,0,0|2,0,0]=4 7389 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [1,1,0,0,0,0|2,0,0]=4 7390 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [1,1,0,0,0,0|2,0,0]=4 7391 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [1,1,0,0,0,0|2,0,0]=4 7392 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [1,1,0,0,0,0|2,0,0]=4 7393 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [1,1,0,0,0,0|2,0,0]=4 7394 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [1,1,0,0,0,0|2,0,0]=4 7395 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,1,0,0,0,0|2,0,0]=4 7396 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,1,0,0,0,0|2,0,0]=4 7397 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 7398 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 7399 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [1,1,0,0,0,0|2,0,0]=4 7400 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [1,1,0,0,0,0|2,0,0]=4 7401 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [1,1,0,0,0,0|2,0,0]=4 7402 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [1,1,0,0,0,0|2,0,0]=4 7403 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [1,1,0,0,0,0|2,0,0]=4 7404 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [1,1,0,0,0,0|2,0,0]=4 7405 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [1,1,0,0,0,0|2,0,0]=4 7406 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [1,1,0,0,0,0|2,0,0]=4 7407 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [1,1,0,0,0,0|2,0,0]=4 7408 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [1,1,0,0,0,0|2,0,0]=4 7409 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [1,1,0,0,0,0|2,0,0]=4 7410 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [1,1,0,0,0,0|2,0,0]=4 7411 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [1,1,0,0,0,0|2,0,0]=4 7412 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [1,1,0,0,0,0|2,0,0]=4 7413 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [1,1,0,0,0,0|2,0,0]=4 7414 B12R0.234 CN(C)CCCCSCCCC=O 62a_200011292268_100000690147 [1,1,0,0,0,0|2,0,0]=4 7415 B12R0.234 CN(C)CCCSCCCCC=O 62a_100000139335_100000757444 [1,1,0,0,0,0|2,0,0]=4 7416 B12R0.234 CN(C)CCSCCCCCC=O 62a_100000139337_100000755713 [1,1,0,0,0,0|2,0,0]=4 7417 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [1,1,0,0,0,0|2,0,0]=4 7418 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [1,1,0,0,0,0|2,0,0]=4 7419 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,1,0,0,0,0|2,0,0]=4 7420 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [1,1,0,0,0,0|2,0,0]=4 7421 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [1,1,0,0,0,0|2,0,0]=4 7422 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,1,0,0,0,0|2,0,0]=4 7423 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [1,1,0,0,0,0|1,0,1]=4 7424 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [1,1,0,0,0,0|1,0,1]=4 7425 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [1,1,0,0,0,0|1,0,1]=4 7426 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [1,1,0,0,0,0|1,0,1]=4 7427 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,1,0,0,0,0|2,0,0]=4 7428 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [1,1,0,0,0,0|2,0,0]=4 7429 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [1,1,0,0,0,0|2,0,0]=4 7430 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [1,1,0,0,0,0|2,0,0]=4 7431 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [1,1,0,0,0,0|1,0,1]=4 7432 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [1,1,0,0,0,0|1,0,1]=4 7433 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [1,1,0,0,0,0|1,0,1]=4 7434 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [1,1,0,0,0,0|1,0,1]=4 7435 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [1,1,0,0,0,0|1,0,1]=4 7436 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [1,1,0,0,0,0|1,0,1]=4 7437 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [1,1,0,0,0,0|1,0,1]=4 7438 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [1,1,0,0,0,0|1,0,1]=4 7439 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [1,1,0,0,0,0|1,0,1]=4 7440 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [1,1,0,0,0,0|1,0,1]=4 7441 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [1,1,0,0,0,0|1,0,1]=4 7442 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [1,1,0,0,0,0|2,0,0]=4 7443 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [1,1,0,0,0,0|2,0,0]=4 7444 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [1,1,0,0,0,0|2,0,0]=4 7445 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [1,1,0,0,0,0|2,0,0]=4 7446 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [1,1,0,0,0,0|1,0,1]=4 7447 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [1,1,0,0,0,0|1,0,1]=4 7448 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [1,1,0,0,0,0|1,0,1]=4 7449 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [1,1,0,0,0,0|1,0,1]=4 7450 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [1,1,0,0,0,0|1,0,1]=4 7451 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [1,1,0,0,0,0|1,0,1]=4 7452 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [1,1,0,0,0,0|2,0,0]=4 7453 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [1,1,0,0,0,0|2,0,0]=4 7454 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [1,1,0,0,0,0|1,0,1]=4 7455 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [1,1,0,0,0,0|1,0,1]=4 7456 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [1,1,0,0,0,0|1,0,1]=4 7457 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [1,1,0,0,0,0|1,0,1]=4 7458 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [1,1,0,0,0,0|1,0,1]=4 7459 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [1,1,0,0,0,0|2,0,0]=4 7460 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,1,0,0,0,0|2,0,0]=4 7461 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [1,1,0,0,0,0|1,0,1]=4 7462 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [1,1,0,0,0,0|1,0,1]=4 7463 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,1,0,0,0,0|2,0,0]=4 7464 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,1,0,0,0,0|2,0,0]=4 7465 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,1,0,0,0,0|2,0,0]=4 7466 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,1,0,0,0,0|2,0,0]=4 7467 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [1,1,0,0,0,0|1,0,1]=4 7468 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [1,1,0,0,0,0|1,0,1]=4 7469 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [1,1,0,0,0,0|1,0,1]=4 7470 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [1,1,0,0,0,0|1,0,1]=4 7471 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [1,1,0,0,0,0|2,0,0]=4 7472 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [1,1,0,0,0,0|2,0,0]=4 7473 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [1,1,0,0,0,0|2,0,0]=4 7474 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,1,0,0,0,0|2,0,0]=4 7475 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,1,0,0,0,0|2,0,0]=4 7476 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,1,0,0,0,0|2,0,0]=4 7477 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,1,0,0,0,0|2,0,0]=4 7478 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [1,1,0,0,0,0|1,0,1]=4 7479 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [1,1,0,0,0,0|1,0,1]=4 7480 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [1,1,0,0,0,0|1,0,1]=4 7481 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [1,1,0,0,0,0|1,0,1]=4 7482 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [1,1,0,0,0,0|2,0,0]=4 7483 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [1,1,0,0,0,0|2,0,0]=4 7484 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [1,1,0,0,0,0|2,0,0]=4 7485 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [1,1,0,0,0,0|2,0,0]=4 7486 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,1,0,0,0,0|2,0,0]=4 7487 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [1,1,0,0,0,0|2,0,0]=4 7488 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [1,1,0,0,0,0|1,0,1]=4 7489 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [1,1,0,0,0,0|2,0,0]=4 7490 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,1,0,0,0,0|2,0,0]=4 7491 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [1,1,0,0,0,0|2,0,0]=4 7492 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [1,1,0,0,0,0|2,0,0]=4 7493 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [1,1,0,0,0,0|1,0,1]=4 7494 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [1,1,0,0,0,0|1,0,1]=4 7495 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [1,1,0,0,0,0|1,0,1]=4 7496 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [1,1,0,0,0,0|2,0,0]=4 7497 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,1,0,0,0,0|2,0,0]=4 7498 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,1,0,0,0,0|2,0,0]=4 7499 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [1,1,0,0,0,0|1,0,1]=4 7500 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [1,1,0,0,0,0|1,0,1]=4 7501 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [1,1,0,0,0,0|2,0,0]=4 7502 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [1,1,0,0,0,0|2,0,0]=4 7503 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [1,1,0,0,0,0|2,0,0]=4 7504 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [1,1,0,0,0,0|1,0,1]=4 7505 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [1,1,0,0,0,0|1,0,1]=4 7506 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [1,1,0,0,0,0|1,0,1]=4 7507 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [1,1,0,0,0,0|2,0,0]=4 7508 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [1,1,0,0,0,0|2,0,0]=4 7509 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [1,1,0,0,0,0|2,0,0]=4 7510 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [1,1,0,0,0,0|2,0,0]=4 7511 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [1,1,0,0,0,0|1,0,1]=4 7512 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [1,1,0,0,0,0|1,0,1]=4 7513 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [1,1,0,0,0,0|1,0,1]=4 7514 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [1,1,0,0,0,0|2,0,0]=4 7515 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [1,1,0,0,0,0|2,0,0]=4 7516 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [1,1,0,0,0,0|2,0,0]=4 7517 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [1,1,0,0,0,0|2,0,0]=4 7518 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [1,1,0,0,0,0|2,0,0]=4 7519 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [1,1,0,0,0,0|1,0,1]=4 7520 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [1,1,0,0,0,0|1,0,1]=4 7521 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [1,1,0,0,0,0|2,0,0]=4 7522 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [1,1,0,0,0,0|2,0,0]=4 7523 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [1,1,0,0,0,0|1,0,1]=4 7524 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [1,1,0,0,0,0|2,0,0]=4 7525 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [1,1,0,0,0,0|2,0,0]=4 7526 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [1,1,0,0,0,0|2,0,0]=4 7527 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,1,0,0,0,0|2,0,0]=4 7528 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,1,0,0,0,0|2,0,0]=4 7529 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 7530 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 7531 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [1,1,0,0,0,0|2,0,0]=4 7532 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [1,1,0,0,0,0|2,0,0]=4 7533 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [1,1,0,0,0,0|2,0,0]=4 7534 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [1,1,0,0,0,0|2,0,0]=4 7535 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,1,0,0,0,0|2,0,0]=4 7536 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,1,0,0,0,0|2,0,0]=4 7537 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [1,1,0,0,0,0|2,0,0]=4 7538 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [1,1,0,0,0,0|2,0,0]=4 7539 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [1,1,0,0,0,0|2,0,0]=4 7540 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [1,1,0,0,0,0|2,0,0]=4 7541 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [1,1,0,0,0,0|2,0,0]=4 7542 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [1,1,0,0,0,0|2,0,0]=4 7543 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [1,1,0,0,0,0|2,0,0]=4 7544 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [1,1,0,0,0,0|2,0,0]=4 7545 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [1,1,0,0,0,0|2,0,0]=4 7546 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [1,1,0,0,0,0|2,0,0]=4 7547 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [1,1,0,0,0,0|2,0,0]=4 7548 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [1,1,0,0,0,0|2,0,0]=4 7549 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [1,1,0,0,0,0|2,0,0]=4 7550 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [1,1,0,0,0,0|2,0,0]=4 7551 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [1,1,0,0,0,0|2,0,0]=4 7552 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [1,1,0,0,0,0|2,0,0]=4 7553 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [1,1,0,0,0,0|2,0,0]=4 7554 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [1,1,0,0,0,0|2,0,0]=4 7555 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [1,1,0,0,0,0|2,0,0]=4 7556 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [1,1,0,0,0,0|2,0,0]=4 7557 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [1,1,0,0,0,0|2,0,0]=4 7558 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [1,1,0,0,0,0|2,0,0]=4 7559 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [1,1,0,0,0,0|2,0,0]=4 7560 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [1,1,0,0,0,0|2,0,0]=4 7561 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [1,1,0,0,0,0|2,0,0]=4 7562 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,1,0,0,0,0|2,0,0]=4 7563 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,1,0,0,0,0|2,0,0]=4 7564 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [1,1,0,0,0,0|2,0,0]=4 7565 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [1,1,0,0,0,0|2,0,0]=4 7566 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,1,0,0,0,0|2,0,0]=4 7567 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,1,0,0,0,0|2,0,0]=4 7568 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [1,1,0,0,0,0|2,0,0]=4 7569 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,1,0,0,0,0|2,0,0]=4 7570 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [1,1,0,0,0,0|2,0,0]=4 7571 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [1,1,0,0,0,0|2,0,0]=4 7572 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,1,0,0,0,0|2,0,0]=4 7573 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,1,0,0,0,0|2,0,0]=4 7574 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,1,0,0,0,0|2,0,0]=4 7575 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,1,0,0,0,0|2,0,0]=4 7576 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 7577 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 7578 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 7579 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 7580 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 7581 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 7582 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 7583 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,1,0,0,0,0|2,0,0]=4 7584 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,1,0,0,0,0|2,0,0]=4 7585 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 7586 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,1,0,0,0,0|2,0,0]=4 7587 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,1,0,0,0,0|2,0,0]=4 7588 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,1,0,0,0,0|2,0,0]=4 7589 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [1,1,0,0,0,0|2,0,0]=4 7590 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [1,1,0,0,0,0|2,0,0]=4 7591 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [1,1,0,0,0,0|2,0,0]=4 7592 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [1,1,0,0,0,0|2,0,0]=4 7593 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [1,1,0,0,0,0|2,0,0]=4 7594 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [1,1,0,0,0,0|2,0,0]=4 7595 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [1,1,0,0,0,0|2,0,0]=4 7596 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [1,1,0,0,0,0|2,0,0]=4 7597 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,1,0,0,0,0|2,0,0]=4 7598 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,1,0,0,0,0|2,0,0]=4 7599 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [1,1,0,0,0,0|2,0,0]=4 7600 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [1,1,0,0,0,0|2,0,0]=4 7601 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,1,0,0,0,0|2,0,0]=4 7602 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,1,0,0,0,0|2,0,0]=4 7603 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,1,0,0,0,0|2,0,0]=4 7604 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,1,0,0,0,0|2,0,0]=4 7605 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,1,0,0,0,0|2,0,0]=4 7606 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [1,1,0,0,0,0|2,0,0]=4 7607 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [1,1,0,0,0,0|2,0,0]=4 7608 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,1,0,0,0,0|2,0,0]=4 7609 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,1,0,0,0,0|2,0,0]=4 7610 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [1,1,0,0,0,0|2,0,0]=4 7611 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [1,1,0,0,0,0|2,0,0]=4 7612 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [1,1,0,0,0,0|2,0,0]=4 7613 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [1,1,0,0,0,0|2,0,0]=4 7614 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [1,1,0,0,0,0|2,0,0]=4 7615 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [1,1,0,0,0,0|2,0,0]=4 7616 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [1,1,0,0,0,0|2,0,0]=4 7617 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [1,1,0,0,0,0|2,0,0]=4 7618 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [1,1,0,0,0,0|2,0,0]=4 7619 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [1,1,0,0,0,0|2,0,0]=4 7620 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [1,1,0,0,0,0|2,0,0]=4 7621 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [1,1,0,0,0,0|2,0,0]=4 7622 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [1,1,0,0,0,0|2,0,0]=4 7623 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [1,1,0,0,0,0|2,0,0]=4 7624 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [1,1,0,0,0,0|2,0,0]=4 7625 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [1,1,0,0,0,0|2,0,0]=4 7626 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 7627 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [1,1,0,0,0,0|2,0,0]=4 7628 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [1,1,0,0,0,0|2,0,0]=4 7629 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,1,0,0,0,0|2,0,0]=4 7630 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [1,1,0,0,0,0|2,0,0]=4 7631 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,1,0,0,0,0|2,0,0]=4 7632 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,1,0,0,0,0|2,0,0]=4 7633 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [1,1,0,0,0,0|2,0,0]=4 7634 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,1,0,0,0,0|2,0,0]=4 7635 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,1,0,0,0,0|2,0,0]=4 7636 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,1,0,0,0,0|1,0,0]=3 7637 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,1,0,0,0,0|1,0,1]=4 7638 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [1,1,0,0,0,0|2,0,0]=4 7639 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [1,1,0,0,0,0|2,0,0]=4 7640 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [1,1,0,0,0,0|2,0,0]=4 7641 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [1,1,0,0,0,0|2,0,0]=4 7642 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [1,1,0,0,0,0|2,0,0]=4 7643 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [1,1,0,0,0,0|2,0,0]=4 7644 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [1,1,0,0,0,0|2,0,0]=4 7645 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [1,1,0,0,0,0|2,0,0]=4 7646 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [1,1,0,0,0,0|2,0,0]=4 7647 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,1,0,0,0,0|1,0,1]=4 7648 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,1,0,0,0,0|1,0,1]=4 7649 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [1,1,0,0,0,0|2,0,0]=4 7650 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [1,1,0,0,0,0|2,0,0]=4 7651 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [1,1,0,0,0,0|2,0,0]=4 7652 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [1,1,0,0,0,0|2,0,0]=4 7653 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [1,1,0,0,0,0|2,0,0]=4 7654 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [1,1,0,0,0,0|2,0,0]=4 7655 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [1,1,0,0,0,0|2,0,0]=4 7656 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [1,1,0,0,0,0|2,0,0]=4 7657 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [1,1,0,0,0,0|2,0,0]=4 7658 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [1,1,0,0,0,0|2,0,0]=4 7659 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [1,1,0,0,0,0|2,0,0]=4 7660 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [1,1,0,0,0,0|2,0,0]=4 7661 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [1,1,0,0,0,0|2,0,0]=4 7662 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [1,1,0,0,0,0|2,0,0]=4 7663 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [1,1,0,0,0,0|2,0,0]=4 7664 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [1,1,0,0,0,0|2,0,0]=4 7665 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [1,1,0,0,0,0|2,0,0]=4 7666 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [1,1,0,0,0,0|2,0,0]=4 7667 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [1,1,0,0,0,0|2,0,0]=4 7668 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [1,1,0,0,0,0|2,0,0]=4 7669 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [1,1,0,0,0,0|2,0,0]=4 7670 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [1,1,0,0,0,0|2,0,0]=4 7671 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [1,1,0,0,0,0|2,0,0]=4 7672 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [1,1,0,0,0,0|2,0,0]=4 7673 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [1,1,0,0,0,0|2,0,0]=4 7674 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [1,1,0,0,0,0|2,0,0]=4 7675 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [1,1,0,0,0,0|2,0,0]=4 7676 B12R0.248 C=COCCCCOCC(C)CC 34a_100000031558_100000748023 [1,1,0,0,0,0|2,0,0]=4 7677 B12R0.248 C=COCCCCOCC(C)CC 7a_100000031558_100000748023 [1,1,0,0,0,0|2,0,0]=4 7678 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [1,1,0,0,0,0|2,0,0]=4 7679 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [1,1,0,0,0,0|2,0,0]=4 7680 B12R0.248 C=COCCCCOC[C@@H](C)CC 34a_100000031558_100009816398 [1,1,0,0,0,0|2,0,0]=4 7681 B12R0.248 C=COCCCCOC[C@@H](C)CC 7a_100000031558_100009816398 [1,1,0,0,0,0|2,0,0]=4 7682 B12R0.248 C=COCCOCCCC(C)CC 7a_100011216074_100000039644 [1,1,0,0,0,0|2,0,0]=4 7683 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [1,1,0,0,0,0|2,0,0]=4 7684 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [1,1,0,0,0,0|2,0,0]=4 7685 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,1,0,0,0,0|1,0,1]=4 7686 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,1,0,0,0,0|1,0,1]=4 7687 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [1,1,0,0,0,0|1,0,0]=3 7688 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [1,1,0,0,0,0|1,0,0]=3 7689 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [1,1,0,0,0,0|1,0,1]=4 7690 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [1,1,0,0,0,0|1,0,0]=3 7691 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [1,1,0,0,0,0|1,0,1]=4 7692 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [1,1,0,0,0,0|1,0,0]=3 7693 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [1,1,0,0,0,0|1,0,1]=4 7694 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [1,1,0,0,0,0|1,0,0]=3 7695 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [1,1,0,0,0,0|1,0,1]=4 7696 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [1,1,0,0,0,0|1,0,1]=4 7697 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [1,1,0,0,0,0|1,0,1]=4 7698 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [1,1,0,0,0,0|1,0,0]=3 7699 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [1,1,0,0,0,0|1,0,0]=3 7700 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [1,1,0,0,0,0|1,0,1]=4 7701 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [1,1,0,0,0,0|1,0,1]=4 7702 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [1,1,0,0,0,0|1,0,1]=4 7703 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [1,1,0,0,0,0|1,0,1]=4 7704 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [1,1,0,0,0,0|1,0,1]=4 7705 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [1,1,0,0,0,0|1,0,1]=4 7706 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [1,1,0,0,0,0|1,0,0]=3 7707 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [1,1,0,0,0,0|1,0,1]=4 7708 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [1,1,0,0,0,0|1,0,1]=4 7709 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [1,1,0,0,0,0|1,0,0]=3 7710 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [1,1,0,0,0,0|1,0,0]=3 7711 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [1,1,0,0,0,0|1,0,1]=4 7712 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [1,1,0,0,0,0|0,0,1]=3 7713 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [1,1,0,0,0,0|0,0,1]=3 7714 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [1,1,0,0,0,0|0,0,1]=3 7715 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [1,1,0,0,0,0|0,0,1]=3 7716 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [1,1,0,0,0,0|1,0,1]=4 7717 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [1,1,0,0,0,0|1,0,1]=4 7718 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [1,1,0,0,0,0|1,0,1]=4 7719 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [1,1,0,0,0,0|1,0,1]=4 7720 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [1,1,0,0,0,0|1,0,1]=4 7721 B12R0.248 CCN(C)CCCSCCCC=O 62a_200011292268_100015186262 [1,1,0,0,0,0|2,0,0]=4 7722 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [1,1,0,0,0,0|1,0,1]=4 7723 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [1,1,0,0,0,0|1,0,1]=4 7724 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [1,1,0,0,0,0|1,0,0]=3 7725 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [1,1,0,0,0,0|1,0,0]=3 7726 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [1,1,0,0,0,0|1,0,0]=3 7727 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [1,1,0,0,0,0|2,0,0]=4 7728 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [1,1,0,0,0,0|2,0,0]=4 7729 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [1,1,0,0,0,0|2,0,0]=4 7730 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [1,1,0,0,0,0|2,0,0]=4 7731 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [1,1,0,0,0,0|2,0,0]=4 7732 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [1,1,0,0,0,0|2,0,0]=4 7733 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [1,1,0,0,0,0|2,0,0]=4 7734 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [1,1,0,0,0,0|2,0,0]=4 7735 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [1,1,0,0,0,0|2,0,0]=4 7736 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [1,1,0,0,0,0|2,0,0]=4 7737 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [1,1,0,0,0,0|2,0,0]=4 7738 B14R0.83 CCCC(C)C(C)OCCCCCC=O 7a_100000708338_100000139337 [0,2,0,0,0,0|2,0,0]=4 7739 B14R0.90 CCCC(CCOCCCCC=O)SC 7a_100000032865_100000139335 [0,2,0,0,0,0|2,0,0]=4 7740 B14R0.391 CC(=O)OC(C)SCCCCCCCO 62a_100000760002_100009818208 [0,2,0,0,0,0|2,0,0]=4 7741 B14R0.391 CC(=O)OC(C)SCCCCCCCO 62a_100009818208_100000760002 [0,2,0,0,0,0|2,0,0]=4 7742 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,2,0,0,0,0|1,0,1]=4 7743 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,2,0,0,0,0|1,0,1]=4 7744 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,2,0,0,0,0|1,0,1]=4 7745 B14R0.391 CCCCCCCCCC(C)OC(C)C 34a_100011218016_100000210206 [0,2,0,0,0,0|1,0,1]=4 7746 B14R0.391 CCCCCCCCCC(C)OC(C)C 7a_100011218016_100000210206 [0,2,0,0,0,0|1,0,1]=4 7747 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,2,0,0,0,0|2,0,0]=4 7748 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,2,0,0,0,0|2,0,0]=4 7749 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,2,0,0,0,0|2,0,0]=4 7750 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,2,0,0,0,0|2,0,0]=4 7751 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,2,0,0,0,0|2,0,0]=4 7752 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,2,0,0,0,0|1,0,0]=3 7753 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,2,0,0,0,0|1,0,0]=3 7754 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,2,0,0,0,0|2,0,0]=4 7755 B14R0.391 COCCCCCCSC(C)OC(=O)C 62a_100009818208_100011998445 [0,2,0,0,0,0|2,0,0]=4 7756 B14R0.391 COCCCCCCSC(C)OC(=O)C 62a_100011998445_100009818208 [0,2,0,0,0,0|2,0,0]=4 7757 B14R0.393 C/C=C/C(C)OCCCCCCCCC 34a_200102604097_100011214924 [0,2,0,0,0,0|2,0,0]=4 7758 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,2,0,0,0,0|2,0,0]=4 7759 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,2,0,0,0,0|2,0,0]=4 7760 B14R0.393 C=CCC(C)COCCCCCCCC 34a_100009832082_100000210759 [0,2,0,0,0,0|2,0,0]=4 7761 B14R0.393 C=CCC(C)COCCCCCCCC 7a_100009832082_100000210759 [0,2,0,0,0,0|2,0,0]=4 7762 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,2,0,0,0,0|2,0,0]=4 7763 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,2,0,0,0,0|2,0,0]=4 7764 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [0,2,0,0,0,0|2,0,0]=4 7765 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [0,2,0,0,0,0|2,0,0]=4 7766 B14R0.393 C=CCCCCCCCNC(C)CCC 2230a_100000741246_100012355270 [0,2,0,0,0,0|2,0,0]=4 7767 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000730831_100000766640 [0,2,0,0,0,0|2,0,0]=4 7768 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000764384_100012355270 [0,2,0,0,0,0|2,0,0]=4 7769 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000730831_100000766640 [0,2,0,0,0,0|2,0,0]=4 7770 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000764384_100012355270 [0,2,0,0,0,0|2,0,0]=4 7771 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_100000688023_100011215473 [0,2,0,0,0,0|2,0,0]=4 7772 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_200011216477_100011216630 [0,2,0,0,0,0|2,0,0]=4 7773 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_100000688023_100011215473 [0,2,0,0,0,0|2,0,0]=4 7774 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_200011216477_100011216630 [0,2,0,0,0,0|2,0,0]=4 7775 B14R0.393 C=CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215473 [0,2,0,0,0,0|2,0,0]=4 7776 B14R0.393 C=CCCCCCOCCC(C)CCC 34a_100011217855_100000700193 [0,2,0,0,0,0|2,0,0]=4 7777 B14R0.393 C=CCCCCCOCCC(C)CCC 7a_100011217855_100000700193 [0,2,0,0,0,0|2,0,0]=4 7778 B14R0.393 C=CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000700193 [0,2,0,0,0,0|2,0,0]=4 7779 B14R0.393 C=CCCCCOCCCC(C)CCC 34a_100011713154_100011215482 [0,2,0,0,0,0|2,0,0]=4 7780 B14R0.393 C=CCCCCOCCCC(C)CCC 7a_100011713154_100011215482 [0,2,0,0,0,0|2,0,0]=4 7781 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000207566_100000210623 [0,2,0,0,0,0|2,0,0]=4 7782 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000225617_100000210320 [0,2,0,0,0,0|2,0,0]=4 7783 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000207566_100000210623 [0,2,0,0,0,0|2,0,0]=4 7784 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000225617_100000210320 [0,2,0,0,0,0|2,0,0]=4 7785 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 34a_100000731007_100011214924 [0,2,0,0,0,0|2,0,0]=4 7786 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 7a_100000731007_100000210328 [0,2,0,0,0,0|2,0,0]=4 7787 B14R0.393 C=CC[C@@H](N)COCCCCCCCC 34a_100020615467_100000210759 [0,2,0,0,0,0|2,0,0]=4 7788 B14R0.393 C=COC(=O)CNCCCCCCCC 2230a_100000229939_100000036128 [0,2,0,0,0,0|1,0,1]=4 7789 B14R0.393 C=COC(=O)CNCCCCCCCC 34a_100000229939_100000036128 [0,2,0,0,0,0|1,0,1]=4 7790 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,2,0,0,0,0|1,0,1]=4 7791 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000036128_100000210317 [0,2,0,0,0,0|1,0,1]=4 7792 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000210759_100000036128 [0,2,0,0,0,0|1,0,1]=4 7793 B14R0.393 C=COCCOCCOCC(C)CCC 34a_100000039918_100011216630 [0,2,0,0,0,0|2,0,0]=4 7794 B14R0.393 C=COCCOCCOCC(C)CCC 7a_100000039918_100011216630 [0,2,0,0,0,0|2,0,0]=4 7795 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,2,0,0,0,0|2,0,0]=4 7796 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [0,2,0,0,0,0|1,0,0]=3 7797 B14R0.393 CCCC(C)CCCOCCCOCC 34a_100011713154_100012232248 [0,2,0,0,0,0|1,0,1]=4 7798 B14R0.393 CCCC(C)CCCOCCCOCC 7a_100011713154_100012232248 [0,2,0,0,0,0|1,0,1]=4 7799 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [0,2,0,0,0,0|1,0,0]=3 7800 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [0,2,0,0,0,0|2,0,0]=4 7801 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [0,2,0,0,0,0|2,0,0]=4 7802 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 7803 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 7804 B14R0.393 CCCCCCCCCCC(C)OCF 34a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 7805 B14R0.393 CCCCCCCCCCC(C)OCF 7a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 7806 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [0,2,0,0,0,0|1,0,0]=3 7807 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [0,2,0,0,0,0|1,0,0]=3 7808 B14R0.432 CC(=O)OCCCCCN[C@H](C)CCO 2230a_100000706166_100009813381 [0,2,0,0,0,0|2,0,0]=4 7809 B14R0.432 CC(=O)OCCCCCN[C@H](C)CCO 34a_100000706166_100000033007 [0,2,0,0,0,0|2,0,0]=4 7810 B14R0.432 CC(=O)OCCCCCOC(C)CCBr 34a_100012276601_100000033007 [0,2,0,0,0,0|2,0,0]=4 7811 B14R0.432 CC(=O)OCCCCCSC(C)CCO 62a_100000033007_100009893172 [0,2,0,0,0,0|2,0,0]=4 7812 B14R0.432 CC(=O)OCCCCCSC(C)CCO 62a_100009893172_100000033007 [0,2,0,0,0,0|2,0,0]=4 7813 B14R0.432 CC(=O)OCCCCOCC(C)CCN 34a_106354213184_100000033659 [0,2,0,0,0,0|2,0,0]=4 7814 B14R0.432 CCCC(=O)COCCCCOC(=O)C 7a_100000073216_100000747444 [0,2,0,0,0,0|1,0,1]=4 7815 B14R0.432 CCCC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747444 [0,2,0,0,0,0|1,0,1]=4 7816 B14R0.432 CCCC(=O)CSCCCCOC(=O)C 62a_100000747444_100000033659 [0,2,0,0,0,0|1,0,1]=4 7817 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,2,0,0,0,0|2,0,0]=4 7818 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,2,0,0,0,0|2,0,0]=4 7819 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,2,0,0,0,0|2,0,0]=4 7820 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,2,0,0,0,0|2,0,0]=4 7821 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,2,0,0,0,0|2,0,0]=4 7822 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,2,0,0,0,0|2,0,0]=4 7823 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,2,0,0,0,0|1,0,0]=3 7824 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,2,0,0,0,0|1,0,0]=3 7825 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,2,0,0,0,0|1,0,0]=3 7826 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,2,0,0,0,0|1,0,0]=3 7827 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,2,0,0,0,0|2,0,0]=4 7828 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,2,0,0,0,0|2,0,0]=4 7829 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,2,0,0,0,0|1,0,0]=3 7830 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,2,0,0,0,0|1,0,0]=3 7831 B14R0.432 CCCC(C)CCOCCCOC(=S)C 34a_100011217855_200135323944 [0,2,0,0,0,0|1,1,0]=4 7832 B14R0.432 CCCC(C)CCOCCCOC(=S)C 7a_100011217855_200135323944 [0,2,0,0,0,0|1,1,0]=4 7833 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,2,0,0,0,0|1,1,0]=4 7834 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,2,0,0,0,0|1,1,0]=4 7835 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 7836 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,2,0,0,0,0|2,0,0]=4 7837 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 7838 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,2,0,0,0,0|2,0,0]=4 7839 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,2,0,0,0,0|2,0,0]=4 7840 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,2,0,0,0,0|2,0,0]=4 7841 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,2,0,0,0,0|2,0,0]=4 7842 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,2,0,0,0,0|2,0,0]=4 7843 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,2,0,0,0,0|1,0,0]=3 7844 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,2,0,0,0,0|1,0,0]=3 7845 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,2,0,0,0,0|1,0,0]=3 7846 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,2,0,0,0,0|1,0,0]=3 7847 B14R0.432 CCCC(C)COCCCCO[N+](=O)[O-] 34a_100000688023_100015694321 [0,2,0,0,0,0|2,0,0]=4 7848 B14R0.432 CCCC(C)COCCCCO[N+](=O)[O-] 7a_100000688023_100015694321 [0,2,0,0,0,0|2,0,0]=4 7849 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,2,0,0,0,0|1,1,0]=4 7850 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,2,0,0,0,0|1,1,0]=4 7851 B14R0.432 CCCC(C)COCOCCOC(=O)C 34a_100000688023_100000076355 [0,2,0,0,0,0|2,0,0]=4 7852 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,2,0,0,0,0|2,0,0]=4 7853 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,2,0,0,0,0|2,0,0]=4 7854 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,2,0,0,0,0|1,0,0]=3 7855 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,2,0,0,0,0|1,0,0]=3 7856 B14R0.432 CCCC(C)CSCCCCO[N+](=O)[O-] 62a_100011216630_100015694321 [0,2,0,0,0,0|2,0,0]=4 7857 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,2,0,0,0,0|1,1,0]=4 7858 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,2,0,0,0,0|1,1,0]=4 7859 B14R0.432 CCCC(C)CSCOCCOC(=O)C 62a_100000076355_100011216630 [0,2,0,0,0,0|2,0,0]=4 7860 B14R0.432 CCCC(C)CSCOCCOC(=O)C 62a_100011216630_100000076355 [0,2,0,0,0,0|2,0,0]=4 7861 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 7862 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,2,0,0,0,0|2,0,0]=4 7863 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 7864 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,2,0,0,0,0|1,0,0]=3 7865 B14R0.432 CCCC(C)NCCOCCOC(=O)C 2230a_100000741246_200000083610 [0,2,0,0,0,0|2,0,0]=4 7866 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,2,0,0,0,0|1,0,0]=3 7867 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,2,0,0,0,0|1,0,0]=3 7868 B14R0.432 CCCC(C)OCCOCCOC(=O)C 34a_100000764384_200000083610 [0,2,0,0,0,0|2,0,0]=4 7869 B14R0.432 CCCC(C)OCCOCCOC(=O)C 7a_100000764384_200000083610 [0,2,0,0,0,0|2,0,0]=4 7870 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,2,0,0,0,0|1,0,0]=3 7871 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,2,0,0,0,0|1,0,0]=3 7872 B14R0.432 CCCC(C)SCCOCCOC(=O)C 62a_100000766640_200000083610 [0,2,0,0,0,0|2,0,0]=4 7873 B14R0.432 CCCC(C)SCCOCCOC(=O)C 62a_200000083610_100000766640 [0,2,0,0,0,0|2,0,0]=4 7874 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,2,0,0,0,0|2,0,0]=4 7875 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,2,0,0,0,0|1,0,0]=3 7876 B14R0.432 CCC[C@H](N)CCOCCCOC(=S)C 34a_100015193777_200135323944 [0,2,0,0,0,0|1,1,0]=4 7877 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,2,0,0,0,0|1,1,0]=4 7878 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,2,0,0,0,0|2,0,0]=4 7879 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,2,0,0,0,0|1,0,0]=3 7880 B14R0.432 CCC[C@H](N)COCCCCO[N+](=O)[O-] 34a_100000732646_100015694321 [0,2,0,0,0,0|2,0,0]=4 7881 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,2,0,0,0,0|1,1,0]=4 7882 B14R0.432 CCC[C@H](N)COCOCCOC(=O)C 34a_100000732646_100000076355 [0,2,0,0,0,0|2,0,0]=4 7883 B14R0.432 COCC(C)SCCCCCOC(=O)C 62a_100000033007_100000765312 [0,2,0,0,0,0|2,0,0]=4 7884 B14R0.432 COCC(C)SCCCCCOC(=O)C 62a_100000765312_100000033007 [0,2,0,0,0,0|2,0,0]=4 7885 B14R0.432 COCC(N)COCCCCOC(=O)C 34a_100000724102_100000033659 [0,2,0,0,0,0|2,0,0]=4 7886 B14R0.432 COCC(O)CNCCCCOC(=O)C 34a_100000756049_100000033659 [0,2,0,0,0,0|2,0,0]=4 7887 B14R0.432 COCC(O)COCCCCOC(=O)C 34a_100000073216_100011215053 [0,2,0,0,0,0|2,0,0]=4 7888 B14R0.432 COCC(O)COCCCCOC(=O)C 7a_100000073216_100011215053 [0,2,0,0,0,0|2,0,0]=4 7889 B14R0.432 COCC(O)CSCCCCOC(=O)C 62a_100000033659_100011215053 [0,2,0,0,0,0|2,0,0]=4 7890 B14R0.432 COCC(O)CSCCCCOC(=O)C 62a_100011215053_100000033659 [0,2,0,0,0,0|2,0,0]=4 7891 B14R0.432 COC[C@@H](C)NCCCCCOC(=O)C 2230a_100000764878_100009813381 [0,2,0,0,0,0|2,0,0]=4 7892 B14R0.432 COC[C@@H](C)OCCCCCOC(=O)C 34a_100011934205_100000033007 [0,2,0,0,0,0|2,0,0]=4 7893 B14R0.493 C#CCOC(C)CCCCCCCCC 34a_100011218016_100000184674 [0,2,0,0,0,0|1,0,1]=4 7894 B14R0.493 C#CCOC(C)CCCCCCCCC 7a_100011218016_100000038162 [0,2,0,0,0,0|1,0,1]=4 7895 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,2,0,0,0,0|2,0,0]=4 7896 B14R0.493 C/C=C/CN(C)CCCCCCCCC 269982a_100000232482_100102629194 [0,2,0,0,0,0|2,0,0]=4 7897 B14R0.493 C/C=C/COCCCCC(C)CCCC 34a_200011021034_100102629194 [0,2,0,0,0,0|2,0,0]=4 7898 B14R0.493 C/C=C/COCCCCC(C)CCCC 7a_200011021034_100102629194 [0,2,0,0,0,0|2,0,0]=4 7899 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,2,0,0,0,0|2,0,0]=4 7900 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,2,0,0,0,0|2,0,0]=4 7901 B14R0.493 C=CCCC(C)NCCCCCCCC 270004a_100000229939_100000762624 [0,2,0,0,0,0|2,0,0]=4 7902 B14R0.493 C=CCCC(C)OCCCCCCCC 34a_100000765329_100000210759 [0,2,0,0,0,0|2,0,0]=4 7903 B14R0.493 C=CCCC(C)OCCCCCCCC 7a_100000765329_100000210759 [0,2,0,0,0,0|2,0,0]=4 7904 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,2,0,0,0,0|2,0,0]=4 7905 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,2,0,0,0,0|2,0,0]=4 7906 B14R0.493 C=CCCCCCCCN(C)CCCC 2230a_100000207549_100012355270 [0,2,0,0,0,0|2,0,0]=4 7907 B14R0.493 C=CCCCCCCCN(C)CCCC 269982a_100000207549_100012355270 [0,2,0,0,0,0|2,0,0]=4 7908 B14R0.493 C=CCCCCCCNC(C)CCCC 2230a_100000126638_100011215473 [0,2,0,0,0,0|2,0,0]=4 7909 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_100000687866_100011215473 [0,2,0,0,0,0|2,0,0]=4 7910 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_200011216477_200011215066 [0,2,0,0,0,0|2,0,0]=4 7911 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_100000687866_100011215473 [0,2,0,0,0,0|2,0,0]=4 7912 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_200011216477_200011215066 [0,2,0,0,0,0|2,0,0]=4 7913 B14R0.493 C=CCCCCCOCC(C)CCCC 34a_100011995851_100000700193 [0,2,0,0,0,0|2,0,0]=4 7914 B14R0.493 C=CCCCCCOCC(C)CCCC 7a_100011995851_100000700193 [0,2,0,0,0,0|2,0,0]=4 7915 B14R0.493 C=CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000700193 [0,2,0,0,0,0|2,0,0]=4 7916 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100000232482_100000754431 [0,2,0,0,0,0|2,0,0]=4 7917 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100020639649_100011214924 [0,2,0,0,0,0|2,0,0]=4 7918 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100000232482_100000754431 [0,2,0,0,0,0|2,0,0]=4 7919 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100020639649_100000210670 [0,2,0,0,0,0|2,0,0]=4 7920 B14R0.493 C=CCCOCCCCC(C)CCCC 34a_200011021034_100000754431 [0,2,0,0,0,0|2,0,0]=4 7921 B14R0.493 C=CCCOCCCCC(C)CCCC 7a_200011021034_100000754431 [0,2,0,0,0,0|2,0,0]=4 7922 B14R0.493 C=CCNC(C)CCCCCCCCC 270004a_100020586998_100011215753 [0,2,0,0,0,0|2,0,0]=4 7923 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [0,2,0,0,0,0|1,0,0]=3 7924 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [0,2,0,0,0,0|1,0,0]=3 7925 B14R0.493 C=COCCOCCOC(C)CCCC 34a_100000039918_200011215066 [0,2,0,0,0,0|2,0,0]=4 7926 B14R0.493 C=COCCOCCOC(C)CCCC 7a_100000039918_200011215066 [0,2,0,0,0,0|2,0,0]=4 7927 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,2,0,0,0,0|2,0,0]=4 7928 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,2,0,0,0,0|2,0,0]=4 7929 B14R0.493 CC=CCN(C)CCCCCCCCC 2230a_100000232482_100000070051 [0,2,0,0,0,0|2,0,0]=4 7930 B14R0.493 CC=CCOCCCCC(C)CCCC 34a_200011021034_100000070051 [0,2,0,0,0,0|2,0,0]=4 7931 B14R0.493 CC=CCOCCCCC(C)CCCC 7a_200011021034_100000070051 [0,2,0,0,0,0|2,0,0]=4 7932 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [0,2,0,0,0,0|1,0,0]=3 7933 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,2,0,0,0,0|1,0,1]=4 7934 B14R0.493 CCCCCCCCCC(C)OCC#N 7a_100011218016_100011215382 [0,2,0,0,0,0|1,0,1]=4 7935 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [0,2,0,0,0,0|0,0,0]=2 7936 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [0,2,0,0,0,0|0,0,0]=2 7937 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 7938 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 7939 B14R0.493 CCCCCCCCCC(C)OCCF 34a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 7940 B14R0.493 CCCCCCCCCC(C)OCCF 7a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 7941 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [0,2,0,0,0,0|0,0,2]=4 7942 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [0,2,0,0,0,0|0,0,2]=4 7943 B14R0.493 CCCCCCCCCC(C)OCSC 34a_100011218016_100011218213 [0,2,0,0,0,0|0,1,1]=4 7944 B14R0.493 CCCCCCCCCN(C)COCC 269982a_100000232482_100000739092 [0,2,0,0,0,0|1,0,1]=4 7945 B14R0.493 CCCCCCCCOC(C)COCC 34a_100000718985_100000210759 [0,2,0,0,0,0|1,0,1]=4 7946 B14R0.493 CCCCCCCCOC(C)COCC 7a_100000718985_100000210759 [0,2,0,0,0,0|1,0,1]=4 7947 B14R0.493 CCCCCCCNCC(O)COCC 2230a_102515437182_100000210681 [0,2,0,0,0,0|1,0,1]=4 7948 B14R0.493 CCCCCCCNCC(O)COCC 34a_102515437182_100000210614 [0,2,0,0,0,0|1,0,1]=4 7949 B14R0.493 CCCOC(C)CNCCCCCC=O 2230a_100015185124_100000139337 [0,2,0,0,0,0|2,0,0]=4 7950 B14R0.493 CCOCC(O)CNCCCCCC=O 2230a_102515437182_100000139337 [0,2,0,0,0,0|2,0,0]=4 7951 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [0,2,0,0,0,0|2,0,0]=4 7952 B14R0.1390 CCCC(C)(C)COCCCCCC=O 7a_100011995695_100000139337 [0,2,0,0,0,0|2,0,0]=4 7953 B14R0.2 C=COCCCNC(C)CCCC(C)C 270004a_100000210767_100000753411 [0,2,0,0,0,0|2,0,0]=4 7954 B14R0.2 CC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_100009814007 [0,2,0,0,0,0|1,0,1]=4 7955 B14R0.2 CC(C)CCCC(C)NCCCCC=O 2230a_100000210607_100000139335 [0,2,0,0,0,0|2,0,0]=4 7956 B14R0.2 CC(C)CCCC(C)OCCCCC=O 7a_200011218570_100000139335 [0,2,0,0,0,0|2,0,0]=4 7957 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,2,0,0,0,0|1,0,1]=4 7958 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,2,0,0,0,0|1,0,1]=4 7959 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,2,0,0,0,0|1,0,1]=4 7960 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,2,0,0,0,0|1,0,1]=4 7961 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,2,0,0,0,0|1,0,1]=4 7962 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,2,0,0,0,0|1,0,1]=4 7963 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,2,0,0,0,0|0,0,1]=3 7964 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,2,0,0,0,0|0,0,1]=3 7965 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,2,0,0,0,0|0,1,1]=4 7966 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,2,0,0,0,0|2,0,0]=4 7967 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,2,0,0,0,0|2,0,0]=4 7968 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,2,0,0,0,0|2,0,0]=4 7969 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,2,0,0,0,0|2,0,0]=4 7970 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,2,0,0,0,0|2,0,0]=4 7971 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,2,0,0,0,0|2,0,0]=4 7972 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,2,0,0,0,0|2,0,0]=4 7973 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,2,0,0,0,0|1,0,0]=3 7974 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,2,0,0,0,0|2,0,0]=4 7975 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,2,0,0,0,0|2,0,0]=4 7976 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,2,0,0,0,0|2,0,0]=4 7977 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,2,0,0,0,0|2,0,0]=4 7978 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,2,0,0,0,0|1,0,0]=3 7979 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,2,0,0,0,0|1,0,0]=3 7980 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,2,0,0,0,0|2,0,0]=4 7981 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,2,0,0,0,0|2,0,0]=4 7982 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|2,0,0]=4 7983 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 7984 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 7985 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 7986 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 7987 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,2,0,0,0,0|1,0,0]=3 7988 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,2,0,0,0,0|1,0,0]=3 7989 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,2,0,0,0,0|2,0,0]=4 7990 B14R0.2 COCCCCCC(=O)CCOC(=O)C 1458a_100011935119_100009814007 [0,2,0,0,0,0|1,0,1]=4 7991 B14R0.2 COCCCCCC(=O)CCOC(=O)N 1458a_100011935119_200011214921 [0,2,0,0,0,0|1,0,1]=4 7992 B14R0.2 NC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_200011214921 [0,2,0,0,0,0|1,0,1]=4 7993 B14R0.68 C=C(C)CCOCCCCCOC(=O)C 34a_100000764851_100000033007 [0,2,0,0,0,0|1,0,1]=4 7994 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000033007_100000730704 [0,2,0,0,0,0|1,0,1]=4 7995 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000730704_100000033007 [0,2,0,0,0,0|1,0,1]=4 7996 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,2,0,0,0,0|2,0,0]=4 7997 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,2,0,0,0,0|2,0,0]=4 7998 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,2,0,0,0,0|2,0,0]=4 7999 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,2,0,0,0,0|2,0,0]=4 8000 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000735457 [0,2,0,0,0,0|1,0,1]=4 8001 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000735457_100000042594 [0,2,0,0,0,0|1,0,1]=4 8002 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,2,0,0,0,0|2,0,0]=4 8003 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,2,0,0,0,0|2,0,0]=4 8004 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,2,0,0,0,0|2,0,0]=4 8005 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,2,0,0,0,0|2,0,0]=4 8006 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,2,0,0,0,0|2,0,0]=4 8007 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000685027 [0,2,0,0,0,0|1,0,1]=4 8008 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000759063_100000033659 [0,2,0,0,0,0|1,0,1]=4 8009 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011215641 [0,2,0,0,0,0|1,0,1]=4 8010 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000759063_100000033659 [0,2,0,0,0,0|1,0,1]=4 8011 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,2,0,0,0,0|2,0,0]=4 8012 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,2,0,0,0,0|2,0,0]=4 8013 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011215641 [0,2,0,0,0,0|1,0,1]=4 8014 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100011215641_100000033659 [0,2,0,0,0,0|1,0,1]=4 8015 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 34a_100000759926_100000033007 [0,2,0,0,0,0|1,0,1]=4 8016 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 7a_100000759926_100000033007 [0,2,0,0,0,0|1,0,1]=4 8017 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000053229 [0,2,0,0,0,0|1,0,1]=4 8018 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000053229_100000033007 [0,2,0,0,0,0|1,0,1]=4 8019 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,2,0,0,0,0|2,0,0]=4 8020 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,2,0,0,0,0|2,0,0]=4 8021 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,2,0,0,0,0|2,0,0]=4 8022 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 8023 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 8024 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 8025 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 8026 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 8027 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,2,0,0,0,0|2,0,0]=4 8028 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 8029 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 8030 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 8031 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 8032 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 8033 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 8034 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 8035 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,2,0,0,0,0|2,0,0]=4 8036 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,2,0,0,0,0|2,0,0]=4 8037 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,2,0,0,0,0|2,0,0]=4 8038 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,2,0,0,0,0|2,0,0]=4 8039 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,2,0,0,0,0|2,0,0]=4 8040 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,2,0,0,0,0|2,0,0]=4 8041 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,2,0,0,0,0|2,0,0]=4 8042 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,2,0,0,0,0|2,0,0]=4 8043 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,2,0,0,0,0|1,0,0]=3 8044 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,2,0,0,0,0|1,0,0]=3 8045 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,2,0,0,0,0|1,0,0]=3 8046 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,2,0,0,0,0|1,0,0]=3 8047 B14R0.68 CC(=O)OCCCCCOCCC(F)F 34a_100103093639_100000033007 [0,2,0,0,0,0|2,0,0]=4 8048 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,2,0,0,0,0|1,0,0]=3 8049 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,2,0,0,0,0|1,0,0]=3 8050 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,2,0,0,0,0|1,0,0]=3 8051 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,2,0,0,0,0|1,0,0]=3 8052 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,2,0,0,0,0|1,0,0]=3 8053 B14R0.68 CC(=O)OCCCCCSCCN(C)C 62a_100000033007_100000755713 [0,2,0,0,0,0|2,0,0]=4 8054 B14R0.68 CC(=O)OCCCCCSCOC(C)C 62a_100000033007_100000709892 [0,2,0,0,0,0|2,0,0]=4 8055 B14R0.68 CC(=O)OCCCCCSCOC(C)C 62a_100000709892_100000033007 [0,2,0,0,0,0|2,0,0]=4 8056 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,2,0,0,0,0|1,0,0]=3 8057 B14R0.68 CC(=O)OCCCCNCCOC(C)C 34a_100000701111_100000033659 [0,2,0,0,0,0|2,0,0]=4 8058 B14R0.68 CC(=O)OCCCCNCCSC(C)C 34a_100000731138_100000033659 [0,2,0,0,0,0|2,0,0]=4 8059 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,2,0,0,0,0|1,0,0]=3 8060 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,2,0,0,0,0|1,0,0]=3 8061 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,2,0,0,0,0|1,0,0]=3 8062 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,2,0,0,0,0|1,0,0]=3 8063 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,2,0,0,0,0|1,0,0]=3 8064 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,2,0,0,0,0|1,0,0]=3 8065 B14R0.68 CC(=O)OCCCCOCCCN(C)C 7a_100000073216_100000757444 [0,2,0,0,0,0|2,0,0]=4 8066 B14R0.68 CC(=O)OCCCCOCCNC(C)C 34a_100000224655_100000033659 [0,2,0,0,0,0|2,0,0]=4 8067 B14R0.68 CC(=O)OCCCCOCCOC(C)C 34a_100000073216_100000211751 [0,2,0,0,0,0|2,0,0]=4 8068 B14R0.68 CC(=O)OCCCCOCCOC(C)C 34a_100000211219_100000033659 [0,2,0,0,0,0|2,0,0]=4 8069 B14R0.68 CC(=O)OCCCCOCCOC(C)C 7a_100000073216_100000211751 [0,2,0,0,0,0|2,0,0]=4 8070 B14R0.68 CC(=O)OCCCCOCCOC(C)C 7a_100000211219_100000033659 [0,2,0,0,0,0|2,0,0]=4 8071 B14R0.68 CC(=O)OCCCCOCCSC(C)C 34a_100000073216_100000730970 [0,2,0,0,0,0|2,0,0]=4 8072 B14R0.68 CC(=O)OCCCCOCCSC(C)C 34a_200011212901_100000033659 [0,2,0,0,0,0|2,0,0]=4 8073 B14R0.68 CC(=O)OCCCCOCCSC(C)C 7a_100000073216_100000730970 [0,2,0,0,0,0|2,0,0]=4 8074 B14R0.68 CC(=O)OCCCCOCCSC(C)C 7a_200011212901_100000033659 [0,2,0,0,0,0|2,0,0]=4 8075 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,2,0,0,0,0|1,0,0]=3 8076 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,2,0,0,0,0|1,0,0]=3 8077 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,2,0,0,0,0|1,0,0]=3 8078 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,2,0,0,0,0|1,0,0]=3 8079 B14R0.68 CC(=O)OCCCCSCCCN(C)C 62a_100000033659_100000757444 [0,2,0,0,0,0|2,0,0]=4 8080 B14R0.68 CC(=O)OCCCCSCCOC(C)C 62a_100000033659_100000211751 [0,2,0,0,0,0|2,0,0]=4 8081 B14R0.68 CC(=O)OCCCCSCCOC(C)C 62a_100000211751_100000033659 [0,2,0,0,0,0|2,0,0]=4 8082 B14R0.68 CC(=O)OCCCCSCCSC(C)C 62a_100000033659_100000730970 [0,2,0,0,0,0|2,0,0]=4 8083 B14R0.68 CC(=O)OCCCCSCCSC(C)C 62a_100000730970_100000033659 [0,2,0,0,0,0|2,0,0]=4 8084 B14R0.68 CC(=O)OCCCNCCCOC(C)C 34a_100000737246_100000042594 [0,2,0,0,0,0|2,0,0]=4 8085 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,2,0,0,0,0|1,0,0]=3 8086 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,2,0,0,0,0|1,0,0]=3 8087 B14R0.68 CC(=O)OCCCOCCCNC(C)C 34a_100000182298_100000042594 [0,2,0,0,0,0|2,0,0]=4 8088 B14R0.68 CC(=O)OCCCOCCNCC(C)C 34a_100015185251_100000042594 [0,2,0,0,0,0|2,0,0]=4 8089 B14R0.68 CC(=O)OCCCOCCOCC(C)C 34a_100000703358_100000042594 [0,2,0,0,0,0|2,0,0]=4 8090 B14R0.68 CC(=O)OCCCOCCOCC(C)C 7a_100000703358_100000042594 [0,2,0,0,0,0|2,0,0]=4 8091 B14R0.68 CC(=O)OCCCOCCSCC(C)C 34a_200000230437_100000042594 [0,2,0,0,0,0|2,0,0]=4 8092 B14R0.68 CC(=O)OCCCOCCSCC(C)C 7a_200000230437_100000042594 [0,2,0,0,0,0|2,0,0]=4 8093 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,2,0,0,0,0|1,0,0]=3 8094 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,2,0,0,0,0|1,0,0]=3 8095 B14R0.68 CC(=O)OCCCSCCCCN(C)C 62a_100000042594_100000690147 [0,2,0,0,0,0|2,0,0]=4 8096 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,2,0,0,0,0|1,0,0]=3 8097 B14R0.68 CC(=O)OCCNCCCOCC(C)C 34a_100000205972_100009814007 [0,2,0,0,0,0|2,0,0]=4 8098 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,2,0,0,0,0|1,0,0]=3 8099 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,2,0,0,0,0|1,0,0]=3 8100 B14R0.68 CC(=O)OCCOCCCCNC(C)C 34a_100011521146_100009814007 [0,2,0,0,0,0|2,0,0]=4 8101 B14R0.68 CC(=O)OCCOCCNCCC(C)O 2230a_200000755665_200000083610 [0,2,0,0,0,0|2,0,0]=4 8102 B14R0.68 CC(=O)OCCOCCOCCC(C)Br 34a_100009893172_200000083610 [0,2,0,0,0,0|2,0,0]=4 8103 B14R0.68 CC(=O)OCCOCCOCCC(C)C 34a_100000210254_200000083610 [0,2,0,0,0,0|2,0,0]=4 8104 B14R0.68 CC(=O)OCCOCCOCCC(C)C 7a_100000210254_200000083610 [0,2,0,0,0,0|2,0,0]=4 8105 B14R0.68 CC(=O)OCCOCCOCC[C@@H](C)N 34a_100000706166_200000083610 [0,2,0,0,0,0|2,0,0]=4 8106 B14R0.68 CC(=O)OCCOCCSCCC(C)C 62a_100000210312_200000083610 [0,2,0,0,0,0|2,0,0]=4 8107 B14R0.68 CC(=O)OCCOCCSCCC(C)C 62a_200000083610_100000210312 [0,2,0,0,0,0|2,0,0]=4 8108 B14R0.68 CC(=O)OCCOCCSCCC(C)O 62a_100012276601_200000083610 [0,2,0,0,0,0|2,0,0]=4 8109 B14R0.68 CC(=O)OCCOCCSCCC(C)O 62a_200000083610_100012276601 [0,2,0,0,0,0|2,0,0]=4 8110 B14R0.68 CC(=O)OCCOCNCCCC(C)C 34a_200000737386_100000076355 [0,2,0,0,0,0|2,0,0]=4 8111 B14R0.68 CC(=O)OCCOCOCCCC(C)C 34a_100000210774_100000076355 [0,2,0,0,0,0|2,0,0]=4 8112 B14R0.68 CC(=O)OCCOCSCCCC(C)C 62a_100000076355_100011214892 [0,2,0,0,0,0|2,0,0]=4 8113 B14R0.68 CC(=O)OCCOCSCCCC(C)C 62a_100011214892_100000076355 [0,2,0,0,0,0|2,0,0]=4 8114 B14R0.68 CC(=O)OCCOCSCCCC(C)O 62a_100000076355_200000718107 [0,2,0,0,0,0|2,0,0]=4 8115 B14R0.68 CC(=O)OCCOCSCCCC(C)O 62a_200000718107_100000076355 [0,2,0,0,0,0|2,0,0]=4 8116 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,2,0,0,0,0|1,0,0]=3 8117 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,2,0,0,0,0|1,0,0]=3 8118 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,2,0,0,0,0|1,0,0]=3 8119 B14R0.68 CC(=O)OCOCCCCCNC(C)C 34a_100011629493_100009813279 [0,2,0,0,0,0|2,0,0]=4 8120 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,2,0,0,0,0|1,1,0]=4 8121 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,2,0,0,0,0|1,1,0]=4 8122 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,2,0,0,0,0|1,1,0]=4 8123 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,2,0,0,0,0|1,1,0]=4 8124 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,2,0,0,0,0|1,1,0]=4 8125 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,2,0,0,0,0|1,1,0]=4 8126 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,2,0,0,0,0|1,1,0]=4 8127 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,2,0,0,0,0|1,1,0]=4 8128 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,2,0,0,0,0|1,1,0]=4 8129 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,2,0,0,0,0|1,1,0]=4 8130 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,2,0,0,0,0|1,1,0]=4 8131 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,2,0,0,0,0|1,1,0]=4 8132 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,2,0,0,0,0|1,1,0]=4 8133 B14R0.68 CC(=S)OCCCOCCCCC(C)C 34a_100011214890_200135323944 [0,2,0,0,0,0|1,1,0]=4 8134 B14R0.68 CC(=S)OCCCOCCCCC(C)C 7a_100011214890_200135323944 [0,2,0,0,0,0|1,1,0]=4 8135 B14R0.68 CC(=S)OCCCSCCCCC(C)C 62a_100011216152_200135323944 [0,2,0,0,0,0|1,1,0]=4 8136 B14R0.68 CC(=S)OCCCSCCCCC(C)C 62a_200135323944_100011216152 [0,2,0,0,0,0|1,1,0]=4 8137 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,2,0,0,0,0|2,0,0]=4 8138 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,2,0,0,0,0|2,0,0]=4 8139 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,2,0,0,0,0|2,0,0]=4 8140 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,2,0,0,0,0|2,0,0]=4 8141 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,2,0,0,0,0|2,0,0]=4 8142 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,2,0,0,0,0|2,0,0]=4 8143 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,2,0,0,0,0|2,0,0]=4 8144 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,2,0,0,0,0|2,0,0]=4 8145 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,2,0,0,0,0|2,0,0]=4 8146 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,2,0,0,0,0|1,0,0]=3 8147 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,2,0,0,0,0|2,0,0]=4 8148 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,2,0,0,0,0|2,0,0]=4 8149 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,2,0,0,0,0|2,0,0]=4 8150 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,2,0,0,0,0|2,0,0]=4 8151 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,2,0,0,0,0|1,0,0]=3 8152 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,2,0,0,0,0|1,0,0]=3 8153 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,2,0,0,0,0|1,0,0]=3 8154 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,2,0,0,0,0|2,0,0]=4 8155 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,2,0,0,0,0|2,0,0]=4 8156 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,2,0,0,0,0|2,0,0]=4 8157 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,2,0,0,0,0|2,0,0]=4 8158 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,2,0,0,0,0|1,0,0]=3 8159 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,2,0,0,0,0|1,0,0]=3 8160 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,2,0,0,0,0|2,0,0]=4 8161 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,2,0,0,0,0|2,0,0]=4 8162 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,2,0,0,0,0|2,0,0]=4 8163 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,2,0,0,0,0|2,0,0]=4 8164 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,2,0,0,0,0|2,0,0]=4 8165 B14R0.68 CC(C)CCCNCCCCO[N+](=O)[O-] 34a_200000737386_100015694321 [0,2,0,0,0,0|2,0,0]=4 8166 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,2,0,0,0,0|2,0,0]=4 8167 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,2,0,0,0,0|2,0,0]=4 8168 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,2,0,0,0,0|2,0,0]=4 8169 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,2,0,0,0,0|2,0,0]=4 8170 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,2,0,0,0,0|2,0,0]=4 8171 B14R0.68 CC(C)CCCOCCCCO[N+](=O)[O-] 34a_100000210774_100015694321 [0,2,0,0,0,0|2,0,0]=4 8172 B14R0.68 CC(C)CCCOCCCCO[N+](=O)[O-] 7a_100000210774_100015694321 [0,2,0,0,0,0|2,0,0]=4 8173 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,2,0,0,0,0|2,0,0]=4 8174 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,2,0,0,0,0|2,0,0]=4 8175 B14R0.68 CC(C)CCCSCCCCO[N+](=O)[O-] 62a_100011214892_100015694321 [0,2,0,0,0,0|2,0,0]=4 8176 B14R0.68 CC(C)COCCCNCCOC(=O)N 34a_100000205972_200011214921 [0,2,0,0,0,0|2,0,0]=4 8177 B14R0.68 CC(C)NCCCCOCCOC(=O)N 34a_100011521146_200011214921 [0,2,0,0,0,0|2,0,0]=4 8178 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,2,0,0,0,0|2,0,0]=4 8179 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,2,0,0,0,0|2,0,0]=4 8180 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,2,0,0,0,0|2,0,0]=4 8181 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,2,0,0,0,0|2,0,0]=4 8182 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,2,0,0,0,0|2,0,0]=4 8183 B14R0.68 CC(O)CCCSCCCCO[N+](=O)[O-] 62a_200000718107_100015694321 [0,2,0,0,0,0|2,0,0]=4 8184 B14R0.88 C=COCCCCOCCCC(C)(C)O 34a_100000031558_100009888830 [0,2,0,0,0,0|2,0,0]=4 8185 B14R0.88 C=COCCCCOCCCC(C)(C)O 7a_100000031558_100009888830 [0,2,0,0,0,0|2,0,0]=4 8186 B14R0.88 C=COCCOCCCCCC(C)(C)O 34a_100000033082_100010402123 [0,2,0,0,0,0|2,0,0]=4 8187 B14R0.88 C=COCCSCCCCCC(C)(C)O 62a_100000039644_100010402123 [0,2,0,0,0,0|2,0,0]=4 8188 B14R0.88 C=COCCSCCCCCC(C)(C)O 62a_100010402123_100000039644 [0,2,0,0,0,0|2,0,0]=4 8189 B14R0.88 CC(C)(O)CCCCCSCCCC=O 62a_100010402123_200011292268 [0,2,0,0,0,0|2,0,0]=4 8190 B14R0.88 CC(C)(O)CCCCCSCCCC=O 62a_200011292268_100010402123 [0,2,0,0,0,0|2,0,0]=4 8191 B14R0.88 CC(C)(O)CCCSCCCCCC=O 62a_100000139337_100009888830 [0,2,0,0,0,0|2,0,0]=4 8192 B14R0.88 CC(C)(O)CCCSCCCCCC=O 62a_100009888830_100000139337 [0,2,0,0,0,0|2,0,0]=4 8193 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,2,0,0,0,0|2,0,0]=4 8194 B14R0.88 CCCCCCCCCCOC(C)(C)C 34a_100000210711_100000210625 [0,2,0,0,0,0|1,0,1]=4 8195 B14R0.88 CCCCCCCCCCOC(C)(C)C 34a_100015890283_100000210320 [0,2,0,0,0,0|1,0,1]=4 8196 B14R0.88 CCCCCCCCCCOC(C)(C)C 7a_100015890283_100000210320 [0,2,0,0,0,0|1,0,1]=4 8197 B14R0.88 CCCCCCCCCCOC(F)(F)F 34a_100000210711_200103152311 [0,2,0,0,0,0|1,0,1]=4 8198 B14R0.88 CCCCCCCCCCOC(F)(F)F 7a_100000210711_200000243211 [0,2,0,0,0,0|1,0,1]=4 8199 B14R0.88 CCCCCCCNCCOS(=O)(=O)C 2230a_100000229938_200000036756 [0,2,0,0,0,0|2,0,0]=4 8200 B14R0.88 CCCCCCCOCCOS(=O)(=O)C 34a_100000210272_200000036756 [0,2,0,0,0,0|2,0,0]=4 8201 B14R0.88 CCCCCCCOCCOS(=O)(=O)C 7a_100000210272_200000036756 [0,2,0,0,0,0|2,0,0]=4 8202 B14R0.88 CCCCCCCSCCOS(=O)(=O)C 62a_100000210614_200000036756 [0,2,0,0,0,0|2,0,0]=4 8203 B14R0.88 CCCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210316 [0,2,0,0,0,0|2,0,0]=4 8204 B14R0.153 CC(=O)OCCCCCN(C)CCCO 2230a_100000213112_100009813381 [0,2,0,0,0,0|2,0,0]=4 8205 B14R0.153 CC(=O)OCCCCCN(C)CCCO 269982a_100000213112_100000033007 [0,2,0,0,0,0|2,0,0]=4 8206 B14R0.153 CC(=O)OCCCCOC(C)CCCCl 34a_200000718107_100000033659 [0,2,0,0,0,0|2,0,0]=4 8207 B14R0.153 CC(=O)OCCCCOC(C)CCCCl 7a_200000718107_100000033659 [0,2,0,0,0,0|2,0,0]=4 8208 B14R0.153 CC(=O)OCCCNC[C@H](C)CCCO 34a_100160569302_100000042594 [0,2,0,0,0,0|2,0,0]=4 8209 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,2,0,0,0,0|1,0,1]=4 8210 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,2,0,0,0,0|0,0,1]=3 8211 B14R0.153 CCCCC(=O)CCOCCOC(=O)C 1458a_100000210183_200000083610 [0,2,0,0,0,0|1,0,1]=4 8212 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,2,0,0,0,0|2,0,0]=4 8213 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,2,0,0,0,0|2,0,0]=4 8214 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,2,0,0,0,0|2,0,0]=4 8215 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,2,0,0,0,0|2,0,0]=4 8216 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,2,0,0,0,0|2,0,0]=4 8217 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,2,0,0,0,0|1,0,0]=3 8218 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,2,0,0,0,0|1,0,0]=3 8219 B14R0.153 CCCCC(C)COCCCOC(=S)C 34a_100011995851_200135323944 [0,2,0,0,0,0|1,1,0]=4 8220 B14R0.153 CCCCC(C)COCCCOC(=S)C 7a_100011995851_200135323944 [0,2,0,0,0,0|1,1,0]=4 8221 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,2,0,0,0,0|1,1,0]=4 8222 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,2,0,0,0,0|1,1,0]=4 8223 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,2,0,0,0,0|2,0,0]=4 8224 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 8225 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,2,0,0,0,0|2,0,0]=4 8226 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 8227 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,2,0,0,0,0|1,1,0]=4 8228 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,2,0,0,0,0|2,0,0]=4 8229 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,2,0,0,0,0|2,0,0]=4 8230 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,2,0,0,0,0|2,0,0]=4 8231 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,2,0,0,0,0|2,0,0]=4 8232 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,2,0,0,0,0|2,0,0]=4 8233 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,2,0,0,0,0|1,0,0]=3 8234 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,2,0,0,0,0|1,0,0]=3 8235 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,2,0,0,0,0|1,0,0]=3 8236 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,2,0,0,0,0|1,0,0]=3 8237 B14R0.153 CCCCC(C)OCCCCO[N+](=O)[O-] 34a_100000687866_100015694321 [0,2,0,0,0,0|2,0,0]=4 8238 B14R0.153 CCCCC(C)OCCCCO[N+](=O)[O-] 7a_100000687866_100015694321 [0,2,0,0,0,0|2,0,0]=4 8239 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,2,0,0,0,0|1,1,0]=4 8240 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,2,0,0,0,0|1,1,0]=4 8241 B14R0.153 CCCCC(C)OCOCCOC(=O)C 34a_100000687866_100000076355 [0,2,0,0,0,0|2,0,0]=4 8242 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,2,0,0,0,0|2,0,0]=4 8243 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,2,0,0,0,0|2,0,0]=4 8244 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,2,0,0,0,0|1,0,0]=3 8245 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,2,0,0,0,0|1,0,0]=3 8246 B14R0.153 CCCCC(C)SCCCCO[N+](=O)[O-] 62a_200011215066_100015694321 [0,2,0,0,0,0|2,0,0]=4 8247 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,2,0,0,0,0|1,1,0]=4 8248 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,2,0,0,0,0|1,1,0]=4 8249 B14R0.153 CCCCC(C)SCOCCOC(=O)C 62a_100000076355_200011215066 [0,2,0,0,0,0|2,0,0]=4 8250 B14R0.153 CCCCC(C)SCOCCOC(=O)C 62a_200011215066_100000076355 [0,2,0,0,0,0|2,0,0]=4 8251 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,2,0,0,0,0|1,0,0]=3 8252 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,2,0,0,0,0|1,0,0]=3 8253 B14R0.153 CCCCN(C)CCOCCOC(=O)C 2230a_100000207549_200000083610 [0,2,0,0,0,0|2,0,0]=4 8254 B14R0.153 CCCCN(C)CCOCCOC(=O)C 269982a_100000207549_200000083610 [0,2,0,0,0,0|2,0,0]=4 8255 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,2,0,0,0,0|2,0,0]=4 8256 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,2,0,0,0,0|1,0,0]=3 8257 B14R0.153 CCCC[C@H](N)COCCCOC(=S)C 34a_100011934283_200135323944 [0,2,0,0,0,0|1,1,0]=4 8258 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,2,0,0,0,0|1,1,0]=4 8259 B14R0.153 CCCOC(C)CNCCCOC(=O)C 34a_100015185124_100000042594 [0,2,0,0,0,0|2,0,0]=4 8260 B14R0.153 CCOCC(=O)CCCCCOC(=O)C 1458a_100000211967_100000033007 [0,2,0,0,0,0|1,0,1]=4 8261 B14R0.153 CCOCC(C)OCCCCOC(=O)C 34a_100000718985_100000033659 [0,2,0,0,0,0|2,0,0]=4 8262 B14R0.153 CCOCC(C)OCCCCOC(=O)C 7a_100000718985_100000033659 [0,2,0,0,0,0|2,0,0]=4 8263 B14R0.153 CCOCC(O)CNCCCOC(=O)C 34a_102515437182_100000042594 [0,2,0,0,0,0|2,0,0]=4 8264 B14R0.153 CCSCC(=O)CCCCCOC(=O)C 1458a_100000230394_100000033007 [0,2,0,0,0,0|1,0,1]=4 8265 B14R0.153 COCCC(=O)CCCCCOC(=O)C 1458a_100000749529_100000033007 [0,2,0,0,0,0|1,0,1]=4 8266 B14R0.153 COCCN(C)CCCCCOC(=O)C 2230a_100000743101_100009813381 [0,2,0,0,0,0|2,0,0]=4 8267 B14R0.153 COCCN(C)CCCCCOC(=O)C 269982a_100000743101_100000033007 [0,2,0,0,0,0|2,0,0]=4 8268 B14R0.153 CSCCC(=O)CCCCCOC(=O)C 1458a_100000174002_100000033007 [0,2,0,0,0,0|1,0,1]=4 8269 B14R0.153 CSCCN(C)CCCCCOC(=O)C 2230a_100000686725_100009813381 [0,2,0,0,0,0|2,0,0]=4 8270 B14R0.153 CSCCN(C)CCCCCOC(=O)C 269982a_100000686725_100000033007 [0,2,0,0,0,0|2,0,0]=4 8271 B14R0.153 CSCC[C@H](N)COCCCOC(=O)C 34a_100011827619_100000042594 [0,2,0,0,0,0|2,0,0]=4 8272 B14R0.231 C=COCCC(=O)CCCCCC(C)C 1458a_100000766313_100000039644 [0,2,0,0,0,0|1,0,1]=4 8273 B14R0.231 CC(=O)OCCCCC(=O)CCCCO 1458a_100000695505_100000033659 [0,2,0,0,0,0|1,0,1]=4 8274 B14R0.231 CC(=O)OCCCCN(C)CCCCO 269982a_100000717598_100000033659 [0,2,0,0,0,0|2,0,0]=4 8275 B14R0.231 CC(=O)OCCOC[C@@H](N)CCCCN 34a_100016993712_100009814007 [0,2,0,0,0,0|2,0,0]=4 8276 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,2,0,0,0,0|1,0,1]=4 8277 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,2,0,0,0,0|0,0,1]=3 8278 B14R0.231 CCCCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000212188_100015694321 [0,2,0,0,0,0|1,0,1]=4 8279 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,2,0,0,0,0|0,1,1]=4 8280 B14R0.231 CCCCCC(=O)COCCOC(=O)N 7a_100000766696_200012276598 [0,2,0,0,0,0|1,0,1]=4 8281 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_100009814007_200012276598 [0,2,0,0,0,0|1,0,1]=4 8282 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_200012276598_100009814007 [0,2,0,0,0,0|1,0,1]=4 8283 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200011214921_200012276598 [0,2,0,0,0,0|1,0,1]=4 8284 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200012276598_200011214921 [0,2,0,0,0,0|1,0,1]=4 8285 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,2,0,0,0,0|2,0,0]=4 8286 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,2,0,0,0,0|2,0,0]=4 8287 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,2,0,0,0,0|2,0,0]=4 8288 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,2,0,0,0,0|2,0,0]=4 8289 B14R0.231 CCCCCC(C)NCCCOC(=S)C 2230a_100000211957_200135323944 [0,2,0,0,0,0|1,1,0]=4 8290 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,2,0,0,0,0|1,1,0]=4 8291 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,2,0,0,0,0|2,0,0]=4 8292 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,2,0,0,0,0|2,0,0]=4 8293 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,2,0,0,0,0|2,0,0]=4 8294 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,2,0,0,0,0|2,0,0]=4 8295 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,2,0,0,0,0|2,0,0]=4 8296 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,2,0,0,0,0|1,0,0]=3 8297 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,2,0,0,0,0|1,0,0]=3 8298 B14R0.231 CCCCCC(C)OCCCOC(=S)C 34a_100011215632_200135323944 [0,2,0,0,0,0|1,1,0]=4 8299 B14R0.231 CCCCCC(C)OCCCOC(=S)C 7a_100011215632_200135323944 [0,2,0,0,0,0|1,1,0]=4 8300 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,2,0,0,0,0|1,1,0]=4 8301 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,2,0,0,0,0|1,1,0]=4 8302 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,2,0,0,0,0|2,0,0]=4 8303 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,2,0,0,0,0|2,0,0]=4 8304 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,2,0,0,0,0|1,0,0]=3 8305 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,2,0,0,0,0|1,0,0]=3 8306 B14R0.231 CCCCCC(C)SCCCOC(=S)C 62a_200011218191_200135323944 [0,2,0,0,0,0|1,1,0]=4 8307 B14R0.231 CCCCCC(C)SCCCOC(=S)C 62a_200135323944_200011218191 [0,2,0,0,0,0|1,1,0]=4 8308 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,2,0,0,0,0|1,1,0]=4 8309 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,2,0,0,0,0|1,1,0]=4 8310 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,2,0,0,0,0|2,0,0]=4 8311 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,2,0,0,0,0|2,0,0]=4 8312 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,2,0,0,0,0|1,0,0]=3 8313 B14R0.231 CCCCCN(C)CCCCO[N+](=O)[O-] 269982a_100000223495_100015694321 [0,2,0,0,0,0|2,0,0]=4 8314 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,2,0,0,0,0|1,1,0]=4 8315 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,2,0,0,0,0|1,1,0]=4 8316 B14R0.231 CCCCCN(C)COCCOC(=O)C 269982a_100000223495_100000076355 [0,2,0,0,0,0|2,0,0]=4 8317 B14R0.231 CCCOCC(=O)CCCCOC(=O)C 1458a_100000745993_100000033659 [0,2,0,0,0,0|1,0,1]=4 8318 B14R0.231 CCCSCC(=O)CCCCOC(=O)C 1458a_100000217233_100000033659 [0,2,0,0,0,0|1,0,1]=4 8319 B14R0.231 CCOCCC(=O)CCCCOC(=O)C 1458a_100000749530_100000033659 [0,2,0,0,0,0|1,0,1]=4 8320 B14R0.231 CCSCCC(=O)CCCCOC(=O)C 1458a_100000230768_100000033659 [0,2,0,0,0,0|1,0,1]=4 8321 B14R0.231 COCCCC(=O)CCCCOC(=O)C 1458a_100000741012_100000033659 [0,2,0,0,0,0|1,0,1]=4 8322 B14R0.231 COCCCC(C)OCCCOC(=O)C 34a_200011539412_100000042594 [0,2,0,0,0,0|2,0,0]=4 8323 B14R0.231 COCCCC(C)OCCCOC(=O)C 7a_200011539412_100000042594 [0,2,0,0,0,0|2,0,0]=4 8324 B14R0.231 COCCCN(C)CCCCOC(=O)C 269982a_100000224831_100000033659 [0,2,0,0,0,0|2,0,0]=4 8325 B14R0.231 CSCCCC(=O)CCCCOC(=O)C 1458a_100000173376_100000033659 [0,2,0,0,0,0|1,0,1]=4 8326 B14R0.231 NCCCC[C@H](N)COCCOC(=O)N 34a_100016993712_200011214921 [0,2,0,0,0,0|2,0,0]=4 8327 B14R0.305 CC(=O)OCCCCCNCC(C)CO 34a_100000744482_100000033007 [0,2,0,0,0,0|2,0,0]=4 8328 B14R0.305 CC(=O)OCCCCCNC[C@@H](F)CO 34a_100015665980_100000033007 [0,2,0,0,0,0|2,0,0]=4 8329 B14R0.305 CC(=O)OCCCCCNC[C@H](O)CO 2230a_100020644852_100009813381 [0,2,0,0,0,0|2,0,0]=4 8330 B14R0.305 CC(=O)OCCCCCOCC(C)CN 34a_100000744482_100000033007 [0,2,0,0,0,0|2,0,0]=4 8331 B14R0.305 CC(=O)OCCCCCOCC(Cl)CCl 34a_100000033668_100000033007 [0,2,0,0,0,0|2,0,0]=4 8332 B14R0.305 CC(=O)OCCCCCOC[C@H](F)CN 34a_100015665980_100000033007 [0,2,0,0,0,0|2,0,0]=4 8333 B14R0.305 CC(=O)OCCCCCSCC(O)CO 62a_100000033007_100011219619 [0,2,0,0,0,0|2,0,0]=4 8334 B14R0.305 CC(=O)OCCCCCSCC(O)CO 62a_100011219619_100000033007 [0,2,0,0,0,0|2,0,0]=4 8335 B14R0.305 CC(=O)OCCCCCSC[C@@H](C)CO 62a_100000033007_100000059175 [0,2,0,0,0,0|2,0,0]=4 8336 B14R0.305 CC(=O)OCCCCCSC[C@@H](C)CO 62a_100000059175_100000033007 [0,2,0,0,0,0|2,0,0]=4 8337 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CF 62a_100000033007_100015614560 [0,2,0,0,0,0|2,0,0]=4 8338 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CF 62a_100015614560_100000033007 [0,2,0,0,0,0|2,0,0]=4 8339 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CO 62a_100000033007_100009815848 [0,2,0,0,0,0|2,0,0]=4 8340 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CO 62a_100009815848_100000033007 [0,2,0,0,0,0|2,0,0]=4 8341 B14R0.305 CC(=O)OCCCCNCCC(C)CO 34a_106354213184_100000033659 [0,2,0,0,0,0|2,0,0]=4 8342 B14R0.305 CC(=O)OCCCOCCC[C@@H](C)CN 34a_100160569302_100000042594 [0,2,0,0,0,0|2,0,0]=4 8343 B14R0.305 CCC(=O)COCCCCCOC(=O)C 34a_100000725409_100000033007 [0,2,0,0,0,0|1,0,1]=4 8344 B14R0.305 CCC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747405 [0,2,0,0,0,0|1,0,1]=4 8345 B14R0.305 CCC(=O)CSCCCCCOC(=O)C 62a_100000747405_100000033007 [0,2,0,0,0,0|1,0,1]=4 8346 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,2,0,0,0,0|2,0,0]=4 8347 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,2,0,0,0,0|2,0,0]=4 8348 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,2,0,0,0,0|2,0,0]=4 8349 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,2,0,0,0,0|1,0,0]=3 8350 B14R0.305 CCC(C)CCCOCCCOC(=S)C 7a_100011216074_200135323944 [0,2,0,0,0,0|1,1,0]=4 8351 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,2,0,0,0,0|1,1,0]=4 8352 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,2,0,0,0,0|2,0,0]=4 8353 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,2,0,0,0,0|1,1,0]=4 8354 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,2,0,0,0,0|2,0,0]=4 8355 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,2,0,0,0,0|1,0,0]=3 8356 B14R0.305 CCC(C)CCOCCCCO[N+](=O)[O-] 7a_100011215188_100015694321 [0,2,0,0,0,0|2,0,0]=4 8357 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,2,0,0,0,0|1,1,0]=4 8358 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 8359 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,2,0,0,0,0|2,0,0]=4 8360 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 8361 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,2,0,0,0,0|1,0,0]=3 8362 B14R0.305 CCC(C)CNCCOCCOC(=O)C 2230a_100020588543_200000083610 [0,2,0,0,0,0|2,0,0]=4 8363 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,2,0,0,0,0|1,0,0]=3 8364 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,2,0,0,0,0|1,0,0]=3 8365 B14R0.305 CCC(C)CSCCOCCOC(=O)C 62a_100000748023_200000083610 [0,2,0,0,0,0|2,0,0]=4 8366 B14R0.305 CCC(C)CSCCOCCOC(=O)C 62a_200000083610_100000748023 [0,2,0,0,0,0|2,0,0]=4 8367 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,2,0,0,0,0|2,0,0]=4 8368 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,2,0,0,0,0|2,0,0]=4 8369 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 8370 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 8371 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,2,0,0,0,0|1,0,0]=3 8372 B14R0.305 CCC(O)CNCCOCCOC(=O)C 2230a_100011218483_200000083610 [0,2,0,0,0,0|2,0,0]=4 8373 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,2,0,0,0,0|1,0,0]=3 8374 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,2,0,0,0,0|1,0,0]=3 8375 B14R0.305 CCC(O)CSCCOCCOC(=O)C 62a_100011218378_200000083610 [0,2,0,0,0,0|2,0,0]=4 8376 B14R0.305 CCC(O)CSCCOCCOC(=O)C 62a_200000083610_100011218378 [0,2,0,0,0,0|2,0,0]=4 8377 B14R0.305 CCN(C)CCCSCCCOC(=O)C 62a_100000042594_100015186262 [0,2,0,0,0,0|2,0,0]=4 8378 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 8379 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 8380 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,2,0,0,0,0|1,0,0]=3 8381 B14R0.305 CC[C@H](C)COCCOCCOC(=O)C 7a_100009816381_200000083610 [0,2,0,0,0,0|2,0,0]=4 8382 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,2,0,0,0,0|1,0,0]=3 8383 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,2,0,0,0,0|1,0,0]=3 8384 B14R0.305 CC[C@H](C)CSCCOCCOC(=O)C 62a_100009816398_200000083610 [0,2,0,0,0,0|2,0,0]=4 8385 B14R0.305 CC[C@H](C)CSCCOCCOC(=O)C 62a_200000083610_100009816398 [0,2,0,0,0,0|2,0,0]=4 8386 B14R0.305 COC(C)CCOCCCCOC(=O)C 7a_100000764861_100000033659 [0,2,0,0,0,0|2,0,0]=4 8387 B14R0.305 COC(C)COCCCCCOC(=O)C 34a_100000690652_100000033007 [0,2,0,0,0,0|2,0,0]=4 8388 B14R0.305 CO[C@H](C)CNCCCCCOC(=O)C 2230a_100020591295_100009813381 [0,2,0,0,0,0|2,0,0]=4 8389 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,2,0,0,0,0|1,0,0]=3 8390 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,2,0,0,0,0|2,0,0]=4 8391 B14R0.337 C#CC(C)OCCCCCCCCCC 34a_100000210711_200000035995 [0,2,0,0,0,0|1,0,1]=4 8392 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 34a_100009815206_100000210320 [0,2,0,0,0,0|1,0,1]=4 8393 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 7a_100009815206_100000210320 [0,2,0,0,0,0|1,0,1]=4 8394 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,2,0,0,0,0|1,0,0]=3 8395 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,2,0,0,0,0|2,0,0]=4 8396 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,2,0,0,0,0|1,0,0]=3 8397 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,2,0,0,0,0|1,0,0]=3 8398 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,2,0,0,0,0|2,0,0]=4 8399 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,2,0,0,0,0|2,0,0]=4 8400 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,2,0,0,0,0|2,0,0]=4 8401 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,2,0,0,0,0|2,0,0]=4 8402 B14R0.337 C=CC(=O)OCCCCCCNCCF 34a_100000724931_100009894100 [0,2,0,0,0,0|2,0,0]=4 8403 B14R0.337 C=CC(=O)OCCCCCCNCCO 2230a_100016997473_100009894100 [0,2,0,0,0,0|2,0,0]=4 8404 B14R0.337 C=CC(=O)OCCCCCCNCCO 34a_100016990907_100009894100 [0,2,0,0,0,0|2,0,0]=4 8405 B14R0.337 C=CC(=O)OCCCCCCOCCBr 34a_100000211926_100009894100 [0,2,0,0,0,0|2,0,0]=4 8406 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,2,0,0,0,0|1,0,0]=3 8407 B14R0.337 C=CC(=O)OCCCCCCOCCN 34a_100000210304_100009894100 [0,2,0,0,0,0|2,0,0]=4 8408 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,2,0,0,0,0|1,0,0]=3 8409 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,2,0,0,0,0|1,0,0]=3 8410 B14R0.337 C=CC(=O)OCCCCCCSCCF 62a_100009894100_100011217306 [0,2,0,0,0,0|2,0,0]=4 8411 B14R0.337 C=CC(=O)OCCCCCCSCCF 62a_100011217306_100009894100 [0,2,0,0,0,0|2,0,0]=4 8412 B14R0.337 C=CC(=O)OCCCCCCSCCO 62a_100000211926_100009894100 [0,2,0,0,0,0|2,0,0]=4 8413 B14R0.337 C=CC(=O)OCCCCCCSCCO 62a_100009894100_100000211926 [0,2,0,0,0,0|2,0,0]=4 8414 B14R0.337 C=CC(=O)OCCCCCCSCOC 62a_100000766300_100009894100 [0,2,0,0,0,0|2,0,0]=4 8415 B14R0.337 C=CC(=O)OCCCCCCSCOC 62a_100009894100_100000766300 [0,2,0,0,0,0|2,0,0]=4 8416 B14R0.337 C=CC(=O)OCCCCCCSCSC 62a_100009894100_100011218213 [0,2,0,0,0,0|2,0,0]=4 8417 B14R0.337 C=CC(=O)OCCCCCCSCSC 62a_100011218213_100009894100 [0,2,0,0,0,0|2,0,0]=4 8418 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,2,0,0,0,0|1,0,0]=3 8419 B14R0.337 C=CC(=O)OCCCCCOCCCF 7a_200011023508_100011934791 [0,2,0,0,0,0|2,0,0]=4 8420 B14R0.337 C=CC(=O)OCCCCCOCCCO 7a_200011023508_100011215043 [0,2,0,0,0,0|2,0,0]=4 8421 B14R0.337 C=CC(=O)OCCCCCOCCOC 7a_200011023508_100000233755 [0,2,0,0,0,0|2,0,0]=4 8422 B14R0.337 C=CC(=O)OCCCCCOCCSC 7a_200011023508_100000212216 [0,2,0,0,0,0|2,0,0]=4 8423 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,2,0,0,0,0|1,0,0]=3 8424 B14R0.337 C=CC(=O)OCCNCCCCCCO 2230a_100000686447_100009813456 [0,2,0,0,0,0|2,0,0]=4 8425 B14R0.337 C=CC(=O)OCCNCCCCCCO 34a_100000686447_100009813456 [0,2,0,0,0,0|2,0,0]=4 8426 B14R0.337 C=CC(=O)OCCNCCCCCOC 2230a_100000747528_100009813456 [0,2,0,0,0,0|2,0,0]=4 8427 B14R0.337 C=CC(=O)OCCNCCCCCOC 34a_100000747528_100009813456 [0,2,0,0,0,0|2,0,0]=4 8428 B14R0.337 C=CC(=O)OCCNCCCOCCC 2230a_100011217757_100009813456 [0,2,0,0,0,0|2,0,0]=4 8429 B14R0.337 C=CC(=O)OCCNCCCOCCC 34a_100011217757_100009813456 [0,2,0,0,0,0|2,0,0]=4 8430 B14R0.337 C=CC(=O)OCCNCCSCCCC 2230a_100025743550_100009813456 [0,2,0,0,0,0|2,0,0]=4 8431 B14R0.337 C=CC(=O)OCCOCCCCCCBr 34a_100011215345_100009813456 [0,2,0,0,0,0|2,0,0]=4 8432 B14R0.337 C=CC(=O)OCCOCCCCCCBr 7a_100011215345_100009813456 [0,2,0,0,0,0|2,0,0]=4 8433 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,2,0,0,0,0|1,0,0]=3 8434 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,2,0,0,0,0|1,0,0]=3 8435 B14R0.337 C=CC(=O)OCCOCCCCCCCl 34a_100000766143_100009813456 [0,2,0,0,0,0|2,0,0]=4 8436 B14R0.337 C=CC(=O)OCCOCCCCCCCl 7a_100000766143_100009813456 [0,2,0,0,0,0|2,0,0]=4 8437 B14R0.337 C=CC(=O)OCCOCCCCCCF 34a_100000732779_100009813456 [0,2,0,0,0,0|2,0,0]=4 8438 B14R0.337 C=CC(=O)OCCOCCCCCCF 7a_100000732779_100009813456 [0,2,0,0,0,0|2,0,0]=4 8439 B14R0.337 C=CC(=O)OCCOCCCCCCN 34a_100000686447_100009813456 [0,2,0,0,0,0|2,0,0]=4 8440 B14R0.337 C=CC(=O)OCCOCCCCCNC 34a_100000722520_100009813456 [0,2,0,0,0,0|2,0,0]=4 8441 B14R0.337 C=CC(=O)OCCOCCOCCCC 34a_100000210238_100009813456 [0,2,0,0,0,0|2,0,0]=4 8442 B14R0.337 C=CC(=O)OCCOCCOCCCC 7a_100000210238_100009813456 [0,2,0,0,0,0|2,0,0]=4 8443 B14R0.337 C=CC(=O)OCCOCCSCCCC 34a_200000230436_100009813456 [0,2,0,0,0,0|2,0,0]=4 8444 B14R0.337 C=CC(=O)OCCOCCSCCCC 7a_200000230436_100009813456 [0,2,0,0,0,0|2,0,0]=4 8445 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,2,0,0,0,0|1,0,0]=3 8446 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,2,0,0,0,0|1,0,0]=3 8447 B14R0.337 C=CC(=O)OCCSCCCCCCF 62a_100009813456_100015922095 [0,2,0,0,0,0|2,0,0]=4 8448 B14R0.337 C=CC(=O)OCCSCCCCCCF 62a_100015922095_100009813456 [0,2,0,0,0,0|2,0,0]=4 8449 B14R0.337 C=CC(=O)OCCSCCCCCCO 62a_100000766143_100009813456 [0,2,0,0,0,0|2,0,0]=4 8450 B14R0.337 C=CC(=O)OCCSCCCCCCO 62a_100009813456_100000766143 [0,2,0,0,0,0|2,0,0]=4 8451 B14R0.337 C=CC(=O)OCCSCCOCCCC 62a_100000743108_100009813456 [0,2,0,0,0,0|2,0,0]=4 8452 B14R0.337 C=CC(=O)OCCSCCOCCCC 62a_100009813456_100000743108 [0,2,0,0,0,0|2,0,0]=4 8453 B14R0.337 C=CC(C)COCCCCCCCCC 34a_100011215527_100011214924 [0,2,0,0,0,0|2,0,0]=4 8454 B14R0.337 C=CC(C)COCCCCCCCCC 7a_100011215527_100000210328 [0,2,0,0,0,0|2,0,0]=4 8455 B14R0.337 C=CC(C)OCCCCCCCCCC 34a_100000695699_100000210320 [0,2,0,0,0,0|1,0,0]=3 8456 B14R0.337 C=CC(C)OCCCCCCCCCO 34a_100000695699_100009813782 [0,2,0,0,0,0|2,0,0]=4 8457 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [0,2,0,0,0,0|2,0,0]=4 8458 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [0,2,0,0,0,0|2,0,0]=4 8459 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [0,2,0,0,0,0|2,0,0]=4 8460 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [0,2,0,0,0,0|2,0,0]=4 8461 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [0,2,0,0,0,0|2,0,0]=4 8462 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,2,0,0,0,0|2,0,0]=4 8463 B14R0.337 C=CCCCCCCCCCN(C)CC 2230a_100000225621_100009814027 [0,2,0,0,0,0|2,0,0]=4 8464 B14R0.337 C=CCCCCCCCCCN(C)CC 269982a_100000225621_100009814027 [0,2,0,0,0,0|2,0,0]=4 8465 B14R0.337 C=CCCCCCCCCNC(C)CC 2230a_100000209981_100011933949 [0,2,0,0,0,0|2,0,0]=4 8466 B14R0.337 C=CCCCCCCCCOC(C)CC 34a_100011215194_100011215416 [0,2,0,0,0,0|2,0,0]=4 8467 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100000210228_100011933949 [0,2,0,0,0,0|2,0,0]=4 8468 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100011215194_100000758301 [0,2,0,0,0,0|2,0,0]=4 8469 B14R0.337 C=CCCCCCCCNCC(C)CC 2230a_100020588543_100012355270 [0,2,0,0,0,0|2,0,0]=4 8470 B14R0.337 C=CCCCCCCCNCC(O)CC 2230a_100011218483_100012355270 [0,2,0,0,0,0|2,0,0]=4 8471 B14R0.337 C=CCCCCCCCOCC(C)CC 34a_100000730831_100000748023 [0,2,0,0,0,0|2,0,0]=4 8472 B14R0.337 C=CCCCCCCCOCC(C)CC 7a_100000730831_100000748023 [0,2,0,0,0,0|2,0,0]=4 8473 B14R0.337 C=CCCCCCCCOCC(O)CC 34a_100000730831_100011218378 [0,2,0,0,0,0|2,0,0]=4 8474 B14R0.337 C=CCCCCCCCOCC(O)CC 7a_100000730831_100011218378 [0,2,0,0,0,0|2,0,0]=4 8475 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 34a_100000730831_100009816398 [0,2,0,0,0,0|2,0,0]=4 8476 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100000730831_100009816398 [0,2,0,0,0,0|2,0,0]=4 8477 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100012355270 [0,2,0,0,0,0|2,0,0]=4 8478 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100011218378_100012355270 [0,2,0,0,0,0|2,0,0]=4 8479 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100012355270_100011218378 [0,2,0,0,0,0|2,0,0]=4 8480 B14R0.337 C=CCCCCCCNCCC(C)CC 2230a_100020591266_100011215473 [0,2,0,0,0,0|2,0,0]=4 8481 B14R0.337 C=CCCCCCCOCCC(C)CC 7a_100011215188_100011215473 [0,2,0,0,0,0|2,0,0]=4 8482 B14R0.337 C=CCCCCCOCCCC(C)CC 7a_100011216074_100000700193 [0,2,0,0,0,0|2,0,0]=4 8483 B14R0.337 C=CCCCOCCCCCC(C)CC 7a_200000035636_100000757094 [0,2,0,0,0,0|2,0,0]=4 8484 B14R0.337 C=COCCCCOCCCN(C)CC 7a_100000031558_100015186262 [0,2,0,0,0,0|2,0,0]=4 8485 B14R0.337 C=COCCOCCCCCC(C)CC 7a_200000035636_100000039644 [0,2,0,0,0,0|1,0,0]=3 8486 B14R0.337 C=C[C@H](N)COCCCCCCCCC 34a_100016989147_100011214924 [0,2,0,0,0,0|2,0,0]=4 8487 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,2,0,0,0,0|2,0,0]=4 8488 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,2,0,0,0,0|2,0,0]=4 8489 B14R0.337 CCC(=O)OCCOCCCCCCF 7a_200000031056_100015922095 [0,2,0,0,0,0|2,0,0]=4 8490 B14R0.337 CCC(=O)OCCOCCCCCCO 7a_200000031056_100000766143 [0,2,0,0,0,0|2,0,0]=4 8491 B14R0.337 CCC(C)CCCCCOCCCC=O 7a_200000035636_200011292268 [0,2,0,0,0,0|1,0,0]=3 8492 B14R0.337 CCC(C)CCCOCCCCCC=O 7a_100011216074_100000139337 [0,2,0,0,0,0|1,0,0]=3 8493 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,2,0,0,0,0|1,0,1]=4 8494 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,2,0,0,0,0|1,0,1]=4 8495 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,2,0,0,0,0|1,0,1]=4 8496 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,2,0,0,0,0|1,0,1]=4 8497 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,2,0,0,0,0|1,0,1]=4 8498 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,2,0,0,0,0|1,0,0]=3 8499 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,2,0,0,0,0|1,0,0]=3 8500 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,2,0,0,0,0|1,0,0]=3 8501 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,2,0,0,0,0|1,0,0]=3 8502 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,2,0,0,0,0|1,0,0]=3 8503 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,2,0,0,0,0|1,0,0]=3 8504 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,2,0,0,0,0|1,0,0]=3 8505 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8506 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8507 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8508 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8509 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,2,0,0,0,0|1,0,0]=3 8510 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,2,0,0,0,0|1,0,0]=3 8511 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,2,0,0,0,0|1,0,0]=3 8512 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 8513 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 8514 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 8515 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 8516 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,2,0,0,0,0|1,0,0]=3 8517 B14R0.337 CCCCCCCCCCOC(C)C#N 34a_100011218135_100000210320 [0,2,0,0,0,0|1,0,1]=4 8518 B14R0.337 CCCCCCCCCCOC(C)C#N 7a_100000210711_100000703298 [0,2,0,0,0,0|1,0,1]=4 8519 B14R0.337 CCCCCCCCCCOC(C)CC 34a_100000210711_100011215416 [0,2,0,0,0,0|1,0,1]=4 8520 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210228_100000210320 [0,2,0,0,0,0|1,0,1]=4 8521 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210711_100000758301 [0,2,0,0,0,0|1,0,1]=4 8522 B14R0.337 CCCCCCCCCCOC(C)CF 34a_100016041109_100000210320 [0,2,0,0,0,0|1,0,1]=4 8523 B14R0.337 CCCCCCCCCCOC(C)CF 7a_100016041109_100000210320 [0,2,0,0,0,0|1,0,1]=4 8524 B14R0.337 CCCCCCCCCCOC(C)CN 34a_100000210904_100000210320 [0,2,0,0,0,0|1,0,1]=4 8525 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,2,0,0,0,0|0,0,2]=4 8526 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,2,0,0,0,0|0,0,2]=4 8527 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,2,0,0,0,0|2,0,0]=4 8528 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,2,0,0,0,0|2,0,0]=4 8529 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,2,0,0,0,0|2,0,0]=4 8530 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,2,0,0,0,0|2,0,0]=4 8531 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,2,0,0,0,0|2,0,0]=4 8532 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,2,0,0,0,0|2,0,0]=4 8533 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,2,0,0,0,0|2,0,0]=4 8534 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,2,0,0,0,0|2,0,0]=4 8535 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,2,0,0,0,0|2,0,0]=4 8536 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,2,0,0,0,0|2,0,0]=4 8537 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,2,0,0,0,0|2,0,0]=4 8538 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,2,0,0,0,0|2,0,0]=4 8539 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,2,0,0,0,0|2,0,0]=4 8540 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,2,0,0,0,0|2,0,0]=4 8541 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,2,0,0,0,0|2,0,0]=4 8542 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,2,0,0,0,0|2,0,0]=4 8543 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,2,0,0,0,0|2,0,0]=4 8544 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,2,0,0,0,0|2,0,0]=4 8545 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,2,0,0,0,0|2,0,0]=4 8546 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,2,0,0,0,0|2,0,0]=4 8547 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,2,0,0,0,0|2,0,0]=4 8548 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,2,0,0,0,0|2,0,0]=4 8549 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,2,0,0,0,0|2,0,0]=4 8550 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,2,0,0,0,0|2,0,0]=4 8551 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,2,0,0,0,0|2,0,0]=4 8552 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,2,0,0,0,0|2,0,0]=4 8553 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,2,0,0,0,0|2,0,0]=4 8554 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,2,0,0,0,0|2,0,0]=4 8555 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,2,0,0,0,0|2,0,0]=4 8556 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,2,0,0,0,0|2,0,0]=4 8557 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,2,0,0,0,0|1,0,0]=3 8558 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,2,0,0,0,0|2,0,0]=4 8559 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,2,0,0,0,0|2,0,0]=4 8560 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,2,0,0,0,0|2,0,0]=4 8561 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,2,0,0,0,0|2,0,0]=4 8562 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,2,0,0,0,0|2,0,0]=4 8563 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,2,0,0,0,0|2,0,0]=4 8564 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,2,0,0,0,0|2,0,0]=4 8565 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,2,0,0,0,0|2,0,0]=4 8566 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,2,0,0,0,0|2,0,0]=4 8567 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,2,0,0,0,0|2,0,0]=4 8568 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,2,0,0,0,0|2,0,0]=4 8569 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 8570 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 8571 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,2,0,0,0,0|2,0,0]=4 8572 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,2,0,0,0,0|1,0,0]=3 8573 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,2,0,0,0,0|1,0,0]=3 8574 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,2,0,0,0,0|1,0,0]=3 8575 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,2,0,0,0,0|1,0,0]=3 8576 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,2,0,0,0,0|2,0,0]=4 8577 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,2,0,0,0,0|2,0,0]=4 8578 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,2,0,0,0,0|2,0,0]=4 8579 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,2,0,0,0,0|2,0,0]=4 8580 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,2,0,0,0,0|1,0,0]=3 8581 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,2,0,0,0,0|1,0,0]=3 8582 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,2,0,0,0,0|2,0,0]=4 8583 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,2,0,0,0,0|2,0,0]=4 8584 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,2,0,0,0,0|2,0,0]=4 8585 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,2,0,0,0,0|2,0,0]=4 8586 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,2,0,0,0,0|2,0,0]=4 8587 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,2,0,0,0,0|2,0,0]=4 8588 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,2,0,0,0,0|2,0,0]=4 8589 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,2,0,0,0,0|2,0,0]=4 8590 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,2,0,0,0,0|2,0,0]=4 8591 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,2,0,0,0,0|2,0,0]=4 8592 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,2,0,0,0,0|2,0,0]=4 8593 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,2,0,0,0,0|2,0,0]=4 8594 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,2,0,0,0,0|2,0,0]=4 8595 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,2,0,0,0,0|2,0,0]=4 8596 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,2,0,0,0,0|2,0,0]=4 8597 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,2,0,0,0,0|2,0,0]=4 8598 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,2,0,0,0,0|2,0,0]=4 8599 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,2,0,0,0,0|2,0,0]=4 8600 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,2,0,0,0,0|2,0,0]=4 8601 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,2,0,0,0,0|2,0,0]=4 8602 B14R0.337 CCCCOCCOCCOC(=O)CC 7a_200000031056_100000743108 [0,2,0,0,0,0|2,0,0]=4 8603 B14R0.337 CCCCOCCOCCOC(=O)NC 34a_100000210238_200011997002 [0,2,0,0,0,0|2,0,0]=4 8604 B14R0.337 CCCCOCCOCCOC(=O)NC 7a_100000210238_200011997002 [0,2,0,0,0,0|2,0,0]=4 8605 B14R0.337 CCCCOCCOCCOC(=O)OC 34a_100010262106_100000743108 [0,2,0,0,0,0|2,0,0]=4 8606 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_100000743108_200011997002 [0,2,0,0,0,0|2,0,0]=4 8607 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_200011997002_100000743108 [0,2,0,0,0,0|2,0,0]=4 8608 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,2,0,0,0,0|2,0,0]=4 8609 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,2,0,0,0,0|2,0,0]=4 8610 B14R0.337 CCCCSCCOCCOC(=O)NC 34a_200000230436_200011997002 [0,2,0,0,0,0|2,0,0]=4 8611 B14R0.337 CCCCSCCOCCOC(=O)NC 7a_200000230436_200011997002 [0,2,0,0,0,0|2,0,0]=4 8612 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,2,0,0,0,0|2,0,0]=4 8613 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,2,0,0,0,0|2,0,0]=4 8614 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,2,0,0,0,0|2,0,0]=4 8615 B14R0.337 CCCOCCCNCCOC(=O)NC 34a_100011217757_200011997002 [0,2,0,0,0,0|2,0,0]=4 8616 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,2,0,0,0,0|2,0,0]=4 8617 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,2,0,0,0,0|2,0,0]=4 8618 B14R0.337 CCN(C)CCCSCCCCCC=O 62a_100000139337_100015186262 [0,2,0,0,0,0|2,0,0]=4 8619 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,2,0,0,0,0|2,0,0]=4 8620 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,2,0,0,0,0|2,0,0]=4 8621 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,2,0,0,0,0|2,0,0]=4 8622 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,2,0,0,0,0|2,0,0]=4 8623 B14R0.337 CCOCCOCCCCCC(C)CC 7a_200000035636_100011215890 [0,2,0,0,0,0|1,0,1]=4 8624 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,2,0,0,0,0|2,0,0]=4 8625 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,2,0,0,0,0|2,0,0]=4 8626 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,2,0,0,0,0|2,0,0]=4 8627 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,2,0,0,0,0|2,0,0]=4 8628 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 8629 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 8630 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 8631 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 8632 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,2,0,0,0,0|2,0,0]=4 8633 B14R0.337 CNC(=O)OCCNCCCCCCO 34a_100000686447_200011997002 [0,2,0,0,0,0|2,0,0]=4 8634 B14R0.337 CNC(=O)OCCNCCCCCOC 34a_100000747528_200011997002 [0,2,0,0,0,0|2,0,0]=4 8635 B14R0.337 CNC(=O)OCCOCCCCCCBr 34a_100011215345_200011997002 [0,2,0,0,0,0|2,0,0]=4 8636 B14R0.337 CNC(=O)OCCOCCCCCCBr 7a_100011215345_200011997002 [0,2,0,0,0,0|2,0,0]=4 8637 B14R0.337 CNC(=O)OCCOCCCCCCCl 34a_100000766143_200011997002 [0,2,0,0,0,0|2,0,0]=4 8638 B14R0.337 CNC(=O)OCCOCCCCCCCl 7a_100000766143_200011997002 [0,2,0,0,0,0|2,0,0]=4 8639 B14R0.337 CNC(=O)OCCOCCCCCCF 34a_100000732779_200011997002 [0,2,0,0,0,0|2,0,0]=4 8640 B14R0.337 CNC(=O)OCCOCCCCCCF 7a_100000732779_200011997002 [0,2,0,0,0,0|2,0,0]=4 8641 B14R0.337 CNC(=O)OCCOCCCCCCN 34a_100000686447_200011997002 [0,2,0,0,0,0|2,0,0]=4 8642 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_100015922095_200011997002 [0,2,0,0,0,0|2,0,0]=4 8643 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_200011997002_100015922095 [0,2,0,0,0,0|2,0,0]=4 8644 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_100000766143_200011997002 [0,2,0,0,0,0|2,0,0]=4 8645 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_200011997002_100000766143 [0,2,0,0,0,0|2,0,0]=4 8646 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,2,0,0,0,0|2,0,0]=4 8647 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,2,0,0,0,0|2,0,0]=4 8648 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,2,0,0,0,0|2,0,0]=4 8649 B14R0.337 CNCCCCCOCCOC(=O)NC 34a_100000722520_200011997002 [0,2,0,0,0,0|2,0,0]=4 8650 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,2,0,0,0,0|2,0,0]=4 8651 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,2,0,0,0,0|2,0,0]=4 8652 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,2,0,0,0,0|1,0,1]=4 8653 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,2,0,0,0,0|1,0,1]=4 8654 B14R0.337 COC(=O)OCCOCCCCCCF 34a_100010262106_100015922095 [0,2,0,0,0,0|2,0,0]=4 8655 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [0,2,0,0,0,0|2,0,0]=4 8656 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [0,2,0,0,0,0|2,0,0]=4 8657 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,2,0,0,0,0|2,0,0]=4 8658 B14R0.337 COCCCCCCSCOC(=O)OC 62a_100011998445_100000139417 [0,2,0,0,0,0|2,0,0]=4 8659 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,2,0,0,0,0|2,0,0]=4 8660 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,2,0,0,0,0|2,0,0]=4 8661 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,2,0,0,0,0|2,0,0]=4 8662 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 8663 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 8664 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 8665 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,2,0,0,0,0|1,0,0]=3 8666 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,2,0,0,0,0|2,0,0]=4 8667 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,2,0,0,0,0|2,0,0]=4 8668 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,2,0,0,0,0|2,0,0]=4 8669 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,2,0,0,0,0|2,0,0]=4 8670 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,2,0,0,0,0|2,0,0]=4 8671 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,2,0,0,0,0|2,0,0]=4 8672 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,2,0,0,0,0|2,0,0]=4 8673 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,2,0,0,0,0|2,0,0]=4 8674 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,2,0,0,0,0|2,0,0]=4 8675 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,2,0,0,0,0|2,0,0]=4 8676 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,2,0,0,0,0|2,0,0]=4 8677 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,2,0,0,0,0|2,0,0]=4 8678 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,2,0,0,0,0|2,0,0]=4 8679 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,2,0,0,0,0|2,0,0]=4 8680 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,2,0,0,0,0|2,0,0]=4 8681 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,2,0,0,0,0|2,0,0]=4 8682 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,2,0,0,0,0|2,0,0]=4 8683 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,2,0,0,0,0|2,0,0]=4 8684 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,2,0,0,0,0|2,0,0]=4 8685 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,2,0,0,0,0|2,0,0]=4 8686 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,2,0,0,0,0|2,0,0]=4 8687 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,2,0,0,0,0|2,0,0]=4 8688 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,2,0,0,0,0|2,0,0]=4 8689 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,2,0,0,0,0|2,0,0]=4 8690 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,2,0,0,0,0|2,0,0]=4 8691 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,2,0,0,0,0|2,0,0]=4 8692 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,2,0,0,0,0|2,0,0]=4 8693 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,2,0,0,0,0|2,0,0]=4 8694 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,2,0,0,0,0|2,0,0]=4 8695 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,2,0,0,0,0|2,0,0]=4 8696 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,2,0,0,0,0|2,0,0]=4 8697 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,2,0,0,0,0|2,0,0]=4 8698 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,2,0,0,0,0|2,0,0]=4 8699 B14R0.344 C=COCCCCOC(C)CCC(C)C 34a_100000031558_100011261404 [0,2,0,0,0,0|2,0,0]=4 8700 B14R0.344 CC(=O)OCC(=O)CCCCCCCO 1458a_100000183556_100000760002 [0,2,0,0,0,0|1,0,1]=4 8701 B14R0.344 CC(=O)OCC(C)NCCCCCCO 270004a_100000686447_100000000629 [0,2,0,0,0,0|2,0,0]=4 8702 B14R0.344 CC(=O)OCC(O)CNCCCCCO 34a_100000762737_200000139349 [0,2,0,0,0,0|2,0,0]=4 8703 B14R0.344 CC(=O)OCC(O)COCCCCCBr 34a_100000746331_200000139349 [0,2,0,0,0,0|2,0,0]=4 8704 B14R0.344 CC(=O)OCC(O)COCCCCCBr 7a_100000746331_200000139349 [0,2,0,0,0,0|2,0,0]=4 8705 B14R0.344 CC(=O)OCC(O)COCCCCCCl 34a_100000746330_200000139349 [0,2,0,0,0,0|2,0,0]=4 8706 B14R0.344 CC(=O)OCC(O)COCCCCCCl 7a_100000746330_200000139349 [0,2,0,0,0,0|2,0,0]=4 8707 B14R0.344 CC(=O)OCC(O)COCCCCCI 34a_200012148887_200000139349 [0,2,0,0,0,0|2,0,0]=4 8708 B14R0.344 CC(=O)OCC(O)COCCCCCI 7a_200012148887_200000139349 [0,2,0,0,0,0|2,0,0]=4 8709 B14R0.344 CC(=O)OCC(O)COCCCCCN 34a_100000762737_200000139349 [0,2,0,0,0,0|2,0,0]=4 8710 B14R0.344 CC(=O)OCC(O)CSCCCCCF 62a_100000729378_200000139349 [0,2,0,0,0,0|2,0,0]=4 8711 B14R0.344 CC(=O)OCC(O)CSCCCCCF 62a_200000139349_100000729378 [0,2,0,0,0,0|2,0,0]=4 8712 B14R0.344 CC(=O)OCC(O)CSCCCCCO 62a_100000746330_200000139349 [0,2,0,0,0,0|2,0,0]=4 8713 B14R0.344 CC(=O)OCC(O)CSCCCCCO 62a_200000139349_100000746330 [0,2,0,0,0,0|2,0,0]=4 8714 B14R0.344 CC(C)CCC(C)NCCCCCC=O 2230a_100138410893_100000139337 [0,2,0,0,0,0|2,0,0]=4 8715 B14R0.344 CC(C)CCC(C)OCCCCCC=O 7a_100011215350_100000139337 [0,2,0,0,0,0|2,0,0]=4 8716 B14R0.344 CC(C)CCC(C)SCCCCCC=O 62a_100000139337_100011261404 [0,2,0,0,0,0|2,0,0]=4 8717 B14R0.344 CC(C)CCC(C)SCCCCCC=O 62a_100011261404_100000139337 [0,2,0,0,0,0|2,0,0]=4 8718 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,2,0,0,0,0|1,0,1]=4 8719 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,2,0,0,0,0|1,0,1]=4 8720 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,2,0,0,0,0|1,0,1]=4 8721 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,2,0,0,0,0|0,0,1]=3 8722 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,2,0,0,0,0|0,1,1]=4 8723 B14R0.344 CCCCCCCCC(C)COC(C)C 34a_200012125181_100000210206 [0,2,0,0,0,0|1,0,1]=4 8724 B14R0.344 CCCCCCCCC(C)COC(C)C 7a_200012125181_100000210206 [0,2,0,0,0,0|1,0,1]=4 8725 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8726 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8727 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,2,0,0,0,0|2,0,0]=4 8728 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,2,0,0,0,0|2,0,0]=4 8729 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,2,0,0,0,0|2,0,0]=4 8730 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,2,0,0,0,0|2,0,0]=4 8731 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,2,0,0,0,0|2,0,0]=4 8732 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,2,0,0,0,0|1,0,0]=3 8733 B14R0.344 CCCCCCCNC(=O)COC(=O)C 1626a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 8734 B14R0.344 CCCCCCCNC(=O)COC(=O)C 240690a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 8735 B14R0.344 CCCCCCCNC(=O)COC(=O)C 527a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 8736 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,2,0,0,0,0|1,0,0]=3 8737 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,2,0,0,0,0|1,1,0]=4 8738 B14R0.344 CCCCCCOCC(=O)COC(=O)C 34a_100000210259_100000036994 [0,2,0,0,0,0|1,0,1]=4 8739 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,2,0,0,0,0|1,1,0]=4 8740 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,2,0,0,0,0|1,1,0]=4 8741 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,2,0,0,0,0|1,0,0]=3 8742 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,2,0,0,0,0|1,0,0]=3 8743 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210757 [0,2,0,0,0,0|1,0,1]=4 8744 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000210314_100000036994 [0,2,0,0,0,0|1,0,1]=4 8745 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,2,0,0,0,0|1,1,0]=4 8746 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,2,0,0,0,0|1,1,0]=4 8747 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,2,0,0,0,0|1,0,0]=3 8748 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,2,0,0,0,0|1,0,0]=3 8749 B14R0.344 CCCCOCSCC(O)COC(=O)C 62a_100011995733_200000139349 [0,2,0,0,0,0|2,0,0]=4 8750 B14R0.344 CCCCOCSCC(O)COC(=O)C 62a_200000139349_100011995733 [0,2,0,0,0,0|2,0,0]=4 8751 B14R0.344 CCCCSCCNC(C)COC(=O)C 270004a_100025743550_100000000629 [0,2,0,0,0,0|2,0,0]=4 8752 B14R0.344 CCCOCCCNC(C)COC(=O)C 270004a_100011217757_100000000629 [0,2,0,0,0,0|2,0,0]=4 8753 B14R0.344 CCCOCCNCC(O)COC(=O)C 34a_100161115042_200000139349 [0,2,0,0,0,0|2,0,0]=4 8754 B14R0.344 CCCOCCOCC(O)COC(=O)C 34a_100000752267_200000139349 [0,2,0,0,0,0|2,0,0]=4 8755 B14R0.344 CCCOCCOCC(O)COC(=O)C 7a_100000752267_200000139349 [0,2,0,0,0,0|2,0,0]=4 8756 B14R0.344 CCCOCCSCC(O)COC(=O)C 62a_100011215938_200000139349 [0,2,0,0,0,0|2,0,0]=4 8757 B14R0.344 CCCOCCSCC(O)COC(=O)C 62a_200000139349_100011215938 [0,2,0,0,0,0|2,0,0]=4 8758 B14R0.344 CCCSCCOCC(O)COC(=O)C 34a_200000230433_200000139349 [0,2,0,0,0,0|2,0,0]=4 8759 B14R0.344 CCCSCCOCC(O)COC(=O)C 7a_200000230433_200000139349 [0,2,0,0,0,0|2,0,0]=4 8760 B14R0.344 CCOCCCNCC(O)COC(=O)C 34a_100000210961_200000139349 [0,2,0,0,0,0|2,0,0]=4 8761 B14R0.344 CCOCCCOCC(O)COC(=O)C 34a_100000757476_200000139349 [0,2,0,0,0,0|2,0,0]=4 8762 B14R0.344 CCOCCCOCC(O)COC(=O)C 7a_100000757476_200000139349 [0,2,0,0,0,0|2,0,0]=4 8763 B14R0.344 CCOCCCSCC(O)COC(=O)C 62a_100012232248_200000139349 [0,2,0,0,0,0|2,0,0]=4 8764 B14R0.344 CCOCCCSCC(O)COC(=O)C 62a_200000139349_100012232248 [0,2,0,0,0,0|2,0,0]=4 8765 B14R0.344 CCSCCCOCC(O)COC(=O)C 34a_100011216438_200000139349 [0,2,0,0,0,0|2,0,0]=4 8766 B14R0.344 CCSCCCOCC(O)COC(=O)C 7a_100011216438_200000139349 [0,2,0,0,0,0|2,0,0]=4 8767 B14R0.344 COCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011998445 [0,2,0,0,0,0|1,0,1]=4 8768 B14R0.344 COCCCCCNC(C)COC(=O)C 270004a_100000747528_100000000629 [0,2,0,0,0,0|2,0,0]=4 8769 B14R0.344 COCCCCOCC(O)COC(=O)C 34a_100000740925_200000139349 [0,2,0,0,0,0|2,0,0]=4 8770 B14R0.344 COCCCCSCC(O)COC(=O)C 62a_100000730899_200000139349 [0,2,0,0,0,0|2,0,0]=4 8771 B14R0.344 COCCCCSCC(O)COC(=O)C 62a_200000139349_100000730899 [0,2,0,0,0,0|2,0,0]=4 8772 B14R0.344 CSCCCCOCC(O)COC(=O)C 34a_100011217163_200000139349 [0,2,0,0,0,0|2,0,0]=4 8773 B14R0.344 CSCCCCOCC(O)COC(=O)C 7a_100011217163_200000139349 [0,2,0,0,0,0|2,0,0]=4 8774 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,2,0,0,0,0|0,0,2]=4 8775 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,2,0,0,0,0|0,0,2]=4 8776 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,2,0,0,0,0|0,0,2]=4 8777 B14R0.394 C#CCCCCCCCOCOC(=O)C 34a_100000054614_100009813279 [0,2,0,0,0,0|0,0,2]=4 8778 B14R0.394 C#CCCCCCCCSCOC(=O)C 62a_100000076356_100153394163 [0,2,0,0,0,0|0,0,2]=4 8779 B14R0.394 C#CCCCCCCCSCOC(=O)C 62a_100153394163_100000076356 [0,2,0,0,0,0|0,0,2]=4 8780 B14R0.394 C#CCCCCCCOCCOC(=O)C 34a_100011217361_100009814007 [0,2,0,0,0,0|0,0,2]=4 8781 B14R0.394 C#CCCCCCCOCCOC(=O)C 7a_100011217361_100009814007 [0,2,0,0,0,0|0,0,2]=4 8782 B14R0.394 C#CCCCCCCOCCOC(=O)N 34a_100011217361_200011214921 [0,2,0,0,0,0|0,0,2]=4 8783 B14R0.394 C#CCCCCCCOCCOC(=O)N 7a_100000766696_100012276617 [0,2,0,0,0,0|0,0,2]=4 8784 B14R0.394 C#CCCCCCCOCCOC(=O)N 7a_100011217361_200011214921 [0,2,0,0,0,0|0,0,2]=4 8785 B14R0.394 C#CCCCCCCSCCOC(=O)C 62a_100009814007_100012276617 [0,2,0,0,0,0|0,0,2]=4 8786 B14R0.394 C#CCCCCCCSCCOC(=O)C 62a_100012276617_100009814007 [0,2,0,0,0,0|0,0,2]=4 8787 B14R0.394 C#CCCCCCCSCCOC(=O)N 62a_100012276617_200011214921 [0,2,0,0,0,0|0,0,2]=4 8788 B14R0.394 C#CCCCCCCSCCOC(=O)N 62a_200011214921_100012276617 [0,2,0,0,0,0|0,0,2]=4 8789 B14R0.394 C#CCCCCCOCCCOC(=O)C 34a_100000766912_100000042594 [0,2,0,0,0,0|0,0,2]=4 8790 B14R0.394 C#CCCCCCOCCCOC(=O)C 7a_100000766912_100000042594 [0,2,0,0,0,0|0,0,2]=4 8791 B14R0.394 C#CCCCCCSCCCOC(=O)C 62a_100000042594_100012094781 [0,2,0,0,0,0|0,0,2]=4 8792 B14R0.394 C#CCCCCCSCCCOC(=O)C 62a_100012094781_100000042594 [0,2,0,0,0,0|0,0,2]=4 8793 B14R0.394 C#CCCCCNCCCCOC(=O)C 34a_100000706060_100000033659 [0,2,0,0,0,0|0,0,2]=4 8794 B14R0.394 C#CCCCCOCCCCOC(=O)C 34a_100000073216_100010269958 [0,2,0,0,0,0|0,0,2]=4 8795 B14R0.394 C#CCCCCOCCCCOC(=O)C 34a_100000766709_100000033659 [0,2,0,0,0,0|0,0,2]=4 8796 B14R0.394 C#CCCCCOCCCCOC(=O)C 7a_100000073216_100010269958 [0,2,0,0,0,0|0,0,2]=4 8797 B14R0.394 C#CCCCCOCCCCOC(=O)C 7a_100000766709_100000033659 [0,2,0,0,0,0|0,0,2]=4 8798 B14R0.394 C#CCCCCSCCCCOC(=O)C 62a_100000033659_100010269958 [0,2,0,0,0,0|0,0,2]=4 8799 B14R0.394 C#CCCCCSCCCCOC(=O)C 62a_100010269958_100000033659 [0,2,0,0,0,0|0,0,2]=4 8800 B14R0.394 C#CCCCNCCCCCOC(=O)C 34a_100000718082_100000033007 [0,2,0,0,0,0|0,0,2]=4 8801 B14R0.394 C#CCCCOCCCCCOC(=O)C 34a_100000215630_100000033007 [0,2,0,0,0,0|0,0,2]=4 8802 B14R0.394 C#CCCCOCCCCCOC(=O)C 7a_100000215630_100000033007 [0,2,0,0,0,0|0,0,2]=4 8803 B14R0.394 C#CCCCSCCCCCOC(=O)C 62a_100000033007_100011215417 [0,2,0,0,0,0|0,0,2]=4 8804 B14R0.394 C#CCCCSCCCCCOC(=O)C 62a_100011215417_100000033007 [0,2,0,0,0,0|0,0,2]=4 8805 B14R0.394 C/C=C/CCOCCCCCOC(=O)C 34a_100016278192_100000033007 [0,2,0,0,0,0|0,0,2]=4 8806 B14R0.394 C/C=C/COCCCCCCCC(C)C 34a_200000210741_100102629194 [0,2,0,0,0,0|2,0,0]=4 8807 B14R0.394 C/C=C/COCCCCCCCC(C)C 7a_200000210741_100102629194 [0,2,0,0,0,0|2,0,0]=4 8808 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,2,0,0,0,0|2,0,0]=4 8809 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,2,0,0,0,0|2,0,0]=4 8810 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,2,0,0,0,0|2,0,0]=4 8811 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,2,0,0,0,0|2,0,0]=4 8812 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,2,0,0,0,0|2,0,0]=4 8813 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,2,0,0,0,0|2,0,0]=4 8814 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,2,0,0,0,0|2,0,0]=4 8815 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 8816 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 8817 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,2,0,0,0,0|1,0,0]=3 8818 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,2,0,0,0,0|1,0,0]=3 8819 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,2,0,0,0,0|1,0,0]=3 8820 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 8821 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 8822 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 8823 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,2,0,0,0,0|2,0,0]=4 8824 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,2,0,0,0,0|2,0,0]=4 8825 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,2,0,0,0,0|2,0,0]=4 8826 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,2,0,0,0,0|2,0,0]=4 8827 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,2,0,0,0,0|2,0,0]=4 8828 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,2,0,0,0,0|1,0,0]=3 8829 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,2,0,0,0,0|1,0,0]=3 8830 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,2,0,0,0,0|1,0,0]=3 8831 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,2,0,0,0,0|2,0,0]=4 8832 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,2,0,0,0,0|2,0,0]=4 8833 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 8834 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,2,0,0,0,0|2,0,0]=4 8835 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,2,0,0,0,0|1,0,1]=4 8836 B14R0.394 C=CCCCCCCCCCCN(C)C 2230a_100102631434_100011093070 [0,2,0,0,0,0|2,0,0]=4 8837 B14R0.394 C=CCCCCCCCCCCN(C)C 269982a_100102631434_100011093070 [0,2,0,0,0,0|2,0,0]=4 8838 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 8839 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 8840 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,2,0,0,0,0|1,0,1]=4 8841 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,2,0,0,0,0|1,0,1]=4 8842 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100000081888_100000210206 [0,2,0,0,0,0|2,0,0]=4 8843 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100138425928_100009814027 [0,2,0,0,0,0|2,0,0]=4 8844 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100000081888_100000210206 [0,2,0,0,0,0|2,0,0]=4 8845 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100138425928_100009814027 [0,2,0,0,0,0|2,0,0]=4 8846 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000038209_100000210206 [0,2,0,0,0,0|2,0,0]=4 8847 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000212225_100009814027 [0,2,0,0,0,0|2,0,0]=4 8848 B14R0.394 C=CCCCCCCCCCOC(C)C 7a_100000038209_100000210206 [0,2,0,0,0,0|2,0,0]=4 8849 B14R0.394 C=CCCCCCCCCNCC(C)C 2230a_100000210953_100011933949 [0,2,0,0,0,0|2,0,0]=4 8850 B14R0.394 C=CCCCCCCCCNCC(C)C 34a_100000210953_100011933949 [0,2,0,0,0,0|2,0,0]=4 8851 B14R0.394 C=CCCCCCCCCNCC(C)O 2230a_100000210904_100011933949 [0,2,0,0,0,0|2,0,0]=4 8852 B14R0.394 C=CCCCCCCCCNCC(C)O 34a_100000210904_100011933949 [0,2,0,0,0,0|2,0,0]=4 8853 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,2,0,0,0,0|0,0,2]=4 8854 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,2,0,0,0,0|0,0,2]=4 8855 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,2,0,0,0,0|0,0,2]=4 8856 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,2,0,0,0,0|0,0,2]=4 8857 B14R0.394 C=CCCCCCCCCOCC(C)Br 34a_100012180447_100011933949 [0,2,0,0,0,0|2,0,0]=4 8858 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100000210257_100011933949 [0,2,0,0,0,0|2,0,0]=4 8859 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100011215194_100000210624 [0,2,0,0,0,0|2,0,0]=4 8860 B14R0.394 C=CCCCCCCCCOCC(C)C 7a_100011215194_100000210760 [0,2,0,0,0,0|2,0,0]=4 8861 B14R0.394 C=CCCCCCCCCOCC(C)F 34a_100015925927_100011933949 [0,2,0,0,0,0|2,0,0]=4 8862 B14R0.394 C=CCCCCCCCCOCC(C)O 34a_100011215194_100011218427 [0,2,0,0,0,0|2,0,0]=4 8863 B14R0.394 C=CCCCCCCCCOCC(C)O 7a_100011215194_100011218427 [0,2,0,0,0,0|2,0,0]=4 8864 B14R0.394 C=CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011933949 [0,2,0,0,0,0|2,0,0]=4 8865 B14R0.394 C=CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011933949 [0,2,0,0,0,0|2,0,0]=4 8866 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 34a_100011215194_100009817552 [0,2,0,0,0,0|2,0,0]=4 8867 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 7a_100011215194_100009817552 [0,2,0,0,0,0|2,0,0]=4 8868 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011218427_100011933949 [0,2,0,0,0,0|2,0,0]=4 8869 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011933949_100011218427 [0,2,0,0,0,0|2,0,0]=4 8870 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011933949 [0,2,0,0,0,0|2,0,0]=4 8871 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100011933949_100009817552 [0,2,0,0,0,0|2,0,0]=4 8872 B14R0.394 C=CCCCCCCCNCCC(C)O 2230a_200000755665_100012355270 [0,2,0,0,0,0|2,0,0]=4 8873 B14R0.394 C=CCCCCCCCOCCC(C)Br 34a_100009893172_100012355270 [0,2,0,0,0,0|2,0,0]=4 8874 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000210254_100012355270 [0,2,0,0,0,0|2,0,0]=4 8875 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000730831_100000210312 [0,2,0,0,0,0|2,0,0]=4 8876 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000210254_100012355270 [0,2,0,0,0,0|2,0,0]=4 8877 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000730831_100000210626 [0,2,0,0,0,0|2,0,0]=4 8878 B14R0.394 C=CCCCCCCCOCCC(C)O 34a_100000730831_100012276601 [0,2,0,0,0,0|2,0,0]=4 8879 B14R0.394 C=CCCCCCCCOCCC(C)O 7a_100000730831_100012276601 [0,2,0,0,0,0|2,0,0]=4 8880 B14R0.394 C=CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100012355270 [0,2,0,0,0,0|2,0,0]=4 8881 B14R0.394 C=CCCCCCCCOCOC(=O)C 34a_100000730831_100009813279 [0,2,0,0,0,0|0,0,2]=4 8882 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012276601_100012355270 [0,2,0,0,0,0|2,0,0]=4 8883 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012355270_100012276601 [0,2,0,0,0,0|2,0,0]=4 8884 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100000076356_100012355270 [0,2,0,0,0,0|0,0,2]=4 8885 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100012355270_100000076356 [0,2,0,0,0,0|0,0,2]=4 8886 B14R0.394 C=CCCCCCCNCCCC(C)C 2230a_200000737386_100011215473 [0,2,0,0,0,0|2,0,0]=4 8887 B14R0.394 C=CCCCCCCNCCCC(C)C 34a_200000737386_100011215473 [0,2,0,0,0,0|2,0,0]=4 8888 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_100000210774_100011215473 [0,2,0,0,0,0|2,0,0]=4 8889 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_200011216477_100011214892 [0,2,0,0,0,0|2,0,0]=4 8890 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_100000210774_100011215473 [0,2,0,0,0,0|2,0,0]=4 8891 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_200011216477_100011214892 [0,2,0,0,0,0|2,0,0]=4 8892 B14R0.394 C=CCCCCCCOCCCC(C)O 34a_200011216477_200000718107 [0,2,0,0,0,0|2,0,0]=4 8893 B14R0.394 C=CCCCCCCOCCCC(C)O 7a_200011216477_200000718107 [0,2,0,0,0,0|2,0,0]=4 8894 B14R0.394 C=CCCCCCCOCCOC(=O)C 34a_200011216477_100009814007 [0,2,0,0,0,0|0,0,2]=4 8895 B14R0.394 C=CCCCCCCOCCOC(=O)C 7a_200011216477_100009814007 [0,2,0,0,0,0|0,0,2]=4 8896 B14R0.394 C=CCCCCCCOCCOC(=O)N 34a_200011216477_200011214921 [0,2,0,0,0,0|0,0,2]=4 8897 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_100000766696_100011215473 [0,2,0,0,0,0|0,0,2]=4 8898 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_200011216477_200011214921 [0,2,0,0,0,0|0,0,2]=4 8899 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_100011215473_200000718107 [0,2,0,0,0,0|2,0,0]=4 8900 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_200000718107_100011215473 [0,2,0,0,0,0|2,0,0]=4 8901 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100009814007_100011215473 [0,2,0,0,0,0|0,0,2]=4 8902 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100011215473_100009814007 [0,2,0,0,0,0|0,0,2]=4 8903 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_100011215473_200011214921 [0,2,0,0,0,0|0,0,2]=4 8904 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_200011214921_100011215473 [0,2,0,0,0,0|0,0,2]=4 8905 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011214890_100000700193 [0,2,0,0,0,0|2,0,0]=4 8906 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011216702_100011216152 [0,2,0,0,0,0|2,0,0]=4 8907 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011214890_100000700193 [0,2,0,0,0,0|2,0,0]=4 8908 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011216702_100011216152 [0,2,0,0,0,0|2,0,0]=4 8909 B14R0.394 C=CCCCCCOCCCOC(=O)C 34a_100011216702_100000042594 [0,2,0,0,0,0|0,0,2]=4 8910 B14R0.394 C=CCCCCCOCCCOC(=O)C 7a_100011216702_100000042594 [0,2,0,0,0,0|0,0,2]=4 8911 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000042594_100000700193 [0,2,0,0,0,0|0,0,2]=4 8912 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000700193_100000042594 [0,2,0,0,0,0|0,0,2]=4 8913 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100000703577_100000210682 [0,2,0,0,0,0|2,0,0]=4 8914 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100011290863_100011215482 [0,2,0,0,0,0|2,0,0]=4 8915 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100000703577_100000210682 [0,2,0,0,0,0|2,0,0]=4 8916 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100011290863_100011215482 [0,2,0,0,0,0|2,0,0]=4 8917 B14R0.394 C=CCCCCNCCCCOC(=O)C 34a_100000703577_100000033659 [0,2,0,0,0,0|0,0,2]=4 8918 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100000766645_100000210682 [0,2,0,0,0,0|2,0,0]=4 8919 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100011995859_100011215482 [0,2,0,0,0,0|2,0,0]=4 8920 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100000766645_100000210682 [0,2,0,0,0,0|2,0,0]=4 8921 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100011995859_100011215482 [0,2,0,0,0,0|2,0,0]=4 8922 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000073216_100011215482 [0,2,0,0,0,0|0,0,2]=4 8923 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000766645_100000033659 [0,2,0,0,0,0|0,0,2]=4 8924 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000073216_100011215482 [0,2,0,0,0,0|0,0,2]=4 8925 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000766645_100000033659 [0,2,0,0,0,0|0,0,2]=4 8926 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100000033659_100011215482 [0,2,0,0,0,0|0,0,2]=4 8927 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100011215482_100000033659 [0,2,0,0,0,0|0,0,2]=4 8928 B14R0.394 C=CCCCNCCCCCCC(C)C 2230a_100000211014_100011713584 [0,2,0,0,0,0|2,0,0]=4 8929 B14R0.394 C=CCCCNCCCCCCC(C)C 34a_100000211014_100000757094 [0,2,0,0,0,0|2,0,0]=4 8930 B14R0.394 C=CCCCNCCCCCOC(=O)C 2230a_100000700776_100009813381 [0,2,0,0,0,0|0,0,2]=4 8931 B14R0.394 C=CCCCNCCCCCOC(=O)C 34a_100000700776_100000033007 [0,2,0,0,0,0|0,0,2]=4 8932 B14R0.394 C=CCCCOCCCCCOC(=O)C 34a_100000758997_100000033007 [0,2,0,0,0,0|0,0,2]=4 8933 B14R0.394 C=CCCCOCCCCCOC(=O)C 7a_100000758997_100000033007 [0,2,0,0,0,0|0,0,2]=4 8934 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100000033007_100000757094 [0,2,0,0,0,0|0,0,2]=4 8935 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100011713584_100000033007 [0,2,0,0,0,0|0,0,2]=4 8936 B14R0.394 C=CCCOCCCCCCCC(C)C 34a_200000210741_100000754431 [0,2,0,0,0,0|2,0,0]=4 8937 B14R0.394 C=CCCOCCCCCCCC(C)C 7a_200000210741_100000754431 [0,2,0,0,0,0|2,0,0]=4 8938 B14R0.394 C=CCOCCOCCCCCC(C)C 34a_100000037705_100000210682 [0,2,0,0,0,0|2,0,0]=4 8939 B14R0.394 C=CCOCCOCCCCCC(C)C 7a_100000037705_100000210682 [0,2,0,0,0,0|2,0,0]=4 8940 B14R0.394 C=COCCCCOCCCCC(=O)C 34a_100000031558_100009817362 [0,2,0,0,0,0|1,0,1]=4 8941 B14R0.394 C=COCCCCOCCCCC(=O)C 7a_100000031558_100000735457 [0,2,0,0,0,0|1,0,1]=4 8942 B14R0.394 C=COCCCCOCCCCC(C)C 34a_100000031558_100011216152 [0,2,0,0,0,0|1,0,0]=3 8943 B14R0.394 C=COCCCCOCCCCC(C)C 7a_100000031558_100011216152 [0,2,0,0,0,0|1,0,0]=3 8944 B14R0.394 C=COCCCNCCCCCC(C)C 2230a_100000210767_100000210682 [0,2,0,0,0,0|1,0,0]=3 8945 B14R0.394 C=COCCCNCCCCCC(C)C 34a_100000210767_100000210682 [0,2,0,0,0,0|1,0,0]=3 8946 B14R0.394 C=COCCNCCCCCCC(C)C 2230a_100000211014_100000039644 [0,2,0,0,0,0|1,0,0]=3 8947 B14R0.394 C=COCCNCCCCCCC(C)C 34a_100000211014_100000039644 [0,2,0,0,0,0|1,0,0]=3 8948 B14R0.394 C=COCCOCCCCCNC(C)C 34a_100011629493_100000039644 [0,2,0,0,0,0|2,0,0]=4 8949 B14R0.394 C=COCCOCCOCCCC(C)C 34a_100000039918_100011214892 [0,2,0,0,0,0|2,0,0]=4 8950 B14R0.394 C=COCCOCCOCCCC(C)C 7a_100000039918_100011214892 [0,2,0,0,0,0|2,0,0]=4 8951 B14R0.394 C=COCCOCCOCCCC(C)O 34a_100000039918_200000718107 [0,2,0,0,0,0|2,0,0]=4 8952 B14R0.394 C=COCCOCCOCCCC(C)O 7a_100000039918_200000718107 [0,2,0,0,0,0|2,0,0]=4 8953 B14R0.394 CC#CCCOCCCCCOC(=O)C 34a_100000750427_100000033007 [0,2,0,0,0,0|0,0,2]=4 8954 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,2,0,0,0,0|1,0,0]=3 8955 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,2,0,0,0,0|2,0,0]=4 8956 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,2,0,0,0,0|2,0,0]=4 8957 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,2,0,0,0,0|2,0,0]=4 8958 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,2,0,0,0,0|2,0,0]=4 8959 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,2,0,0,0,0|2,0,0]=4 8960 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,2,0,0,0,0|2,0,0]=4 8961 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,2,0,0,0,0|2,0,0]=4 8962 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,2,0,0,0,0|2,0,0]=4 8963 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,2,0,0,0,0|1,0,1]=4 8964 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,2,0,0,0,0|1,0,1]=4 8965 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,2,0,0,0,0|2,0,0]=4 8966 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,2,0,0,0,0|2,0,0]=4 8967 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,2,0,0,0,0|2,0,0]=4 8968 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,2,0,0,0,0|2,0,0]=4 8969 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,2,0,0,0,0|2,0,0]=4 8970 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,2,0,0,0,0|2,0,0]=4 8971 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,2,0,0,0,0|2,0,0]=4 8972 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,2,0,0,0,0|2,0,0]=4 8973 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,2,0,0,0,0|2,0,0]=4 8974 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,2,0,0,0,0|2,0,0]=4 8975 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,2,0,0,0,0|2,0,0]=4 8976 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,2,0,0,0,0|2,0,0]=4 8977 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,2,0,0,0,0|2,0,0]=4 8978 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,2,0,0,0,0|2,0,0]=4 8979 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,2,0,0,0,0|2,0,0]=4 8980 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,2,0,0,0,0|2,0,0]=4 8981 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,2,0,0,0,0|2,0,0]=4 8982 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,2,0,0,0,0|2,0,0]=4 8983 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,2,0,0,0,0|1,0,0]=3 8984 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,2,0,0,0,0|1,0,0]=3 8985 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 8986 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 8987 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 8988 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 8989 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 8990 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 8991 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,2,0,0,0,0|2,0,0]=4 8992 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,2,0,0,0,0|2,0,0]=4 8993 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 8994 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 8995 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 8996 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 8997 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,2,0,0,0,0|2,0,0]=4 8998 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,2,0,0,0,0|2,0,0]=4 8999 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,2,0,0,0,0|2,0,0]=4 9000 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,2,0,0,0,0|2,0,0]=4 9001 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,2,0,0,0,0|2,0,0]=4 9002 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,2,0,0,0,0|2,0,0]=4 9003 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 9004 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,2,0,0,0,0|2,0,0]=4 9005 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,2,0,0,0,0|2,0,0]=4 9006 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 9007 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,2,0,0,0,0|1,0,0]=3 9008 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,2,0,0,0,0|1,0,0]=3 9009 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,2,0,0,0,0|1,0,0]=3 9010 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,2,0,0,0,0|1,0,0]=3 9011 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,2,0,0,0,0|1,0,0]=3 9012 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,2,0,0,0,0|1,0,0]=3 9013 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,2,0,0,0,0|1,0,0]=3 9014 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,2,0,0,0,0|1,0,0]=3 9015 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,2,0,0,0,0|1,0,0]=3 9016 B14R0.394 CC(=O)OCCCCCSCCCC#N 62a_100000033007_100000687738 [0,2,0,0,0,0|1,0,1]=4 9017 B14R0.394 CC(=O)OCCCCCSCCCC#N 62a_100000687738_100000033007 [0,2,0,0,0,0|1,0,1]=4 9018 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_100000033007_200011292268 [0,2,0,0,0,0|1,0,1]=4 9019 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_200011292268_100000033007 [0,2,0,0,0,0|1,0,1]=4 9020 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,2,0,0,0,0|1,0,0]=3 9021 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,2,0,0,0,0|1,0,0]=3 9022 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,2,0,0,0,0|1,0,0]=3 9023 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,2,0,0,0,0|1,0,0]=3 9024 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,2,0,0,0,0|1,0,0]=3 9025 B14R0.394 CC(=O)OCCCCNCCOCCO 34a_100000211614_100000033659 [0,2,0,0,0,0|2,0,0]=4 9026 B14R0.394 CC(=O)OCCCCOCCCCC#N 7a_100000073216_100000211819 [0,2,0,0,0,0|1,0,1]=4 9027 B14R0.394 CC(=O)OCCCCOCCCCC=O 7a_100000073216_100000139335 [0,2,0,0,0,0|1,0,1]=4 9028 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,2,0,0,0,0|1,0,0]=3 9029 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,2,0,0,0,0|1,0,0]=3 9030 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,2,0,0,0,0|1,0,0]=3 9031 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,2,0,0,0,0|1,0,0]=3 9032 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,2,0,0,0,0|1,0,0]=3 9033 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,2,0,0,0,0|1,0,0]=3 9034 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,2,0,0,0,0|1,0,0]=3 9035 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,2,0,0,0,0|1,0,0]=3 9036 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,2,0,0,0,0|1,0,0]=3 9037 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,2,0,0,0,0|1,0,0]=3 9038 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,2,0,0,0,0|1,0,0]=3 9039 B14R0.394 CC(=O)OCCCCOCCOCCBr 34a_100000692535_100000033659 [0,2,0,0,0,0|2,0,0]=4 9040 B14R0.394 CC(=O)OCCCCOCCOCCBr 7a_100000692535_100000033659 [0,2,0,0,0,0|2,0,0]=4 9041 B14R0.394 CC(=O)OCCCCOCCOCCCl 34a_100011215305_100000033659 [0,2,0,0,0,0|2,0,0]=4 9042 B14R0.394 CC(=O)OCCCCOCCOCCCl 7a_100011215305_100000033659 [0,2,0,0,0,0|2,0,0]=4 9043 B14R0.394 CC(=O)OCCCCOCCOCCF 34a_200015357709_100000033659 [0,2,0,0,0,0|2,0,0]=4 9044 B14R0.394 CC(=O)OCCCCOCCOCCF 7a_200015357709_100000033659 [0,2,0,0,0,0|2,0,0]=4 9045 B14R0.394 CC(=O)OCCCCOCCOCCI 34a_100012149058_100000033659 [0,2,0,0,0,0|2,0,0]=4 9046 B14R0.394 CC(=O)OCCCCOCCOCCI 7a_100012149058_100000033659 [0,2,0,0,0,0|2,0,0]=4 9047 B14R0.394 CC(=O)OCCCCOCCOCCN 34a_100000211614_100000033659 [0,2,0,0,0,0|2,0,0]=4 9048 B14R0.394 CC(=O)OCCCCOCCOCCO 34a_100000073216_100000692535 [0,2,0,0,0,0|2,0,0]=4 9049 B14R0.394 CC(=O)OCCCCOCCOCCO 7a_100000073216_100011215305 [0,2,0,0,0,0|2,0,0]=4 9050 B14R0.394 CC(=O)OCCCCSCCCCC#N 62a_100000033659_100000211819 [0,2,0,0,0,0|1,0,1]=4 9051 B14R0.394 CC(=O)OCCCCSCCCCC#N 62a_100011219923_100000033659 [0,2,0,0,0,0|1,0,1]=4 9052 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000033659_100000139335 [0,2,0,0,0,0|1,0,1]=4 9053 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000139335_100000033659 [0,2,0,0,0,0|1,0,1]=4 9054 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,2,0,0,0,0|1,0,0]=3 9055 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,2,0,0,0,0|1,0,0]=3 9056 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,2,0,0,0,0|1,0,0]=3 9057 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,2,0,0,0,0|1,0,0]=3 9058 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100000033659_100011215305 [0,2,0,0,0,0|2,0,0]=4 9059 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100011215305_100000033659 [0,2,0,0,0,0|2,0,0]=4 9060 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,2,0,0,0,0|1,0,0]=3 9061 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,2,0,0,0,0|1,0,0]=3 9062 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,2,0,0,0,0|1,0,0]=3 9063 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,2,0,0,0,0|1,0,0]=3 9064 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,2,0,0,0,0|1,0,0]=3 9065 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,2,0,0,0,0|1,0,0]=3 9066 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,2,0,0,0,0|1,0,0]=3 9067 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,2,0,0,0,0|1,0,0]=3 9068 B14R0.394 CC(=O)OCCCSCCCCCC#N 62a_100000042594_100009813376 [0,2,0,0,0,0|1,0,1]=4 9069 B14R0.394 CC(=O)OCCCSCCCCCC#N 62a_100009813376_100000042594 [0,2,0,0,0,0|1,0,1]=4 9070 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000042594_100000139337 [0,2,0,0,0,0|1,0,1]=4 9071 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000139337_100000042594 [0,2,0,0,0,0|1,0,1]=4 9072 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,2,0,0,0,0|1,0,0]=3 9073 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,2,0,0,0,0|1,0,0]=3 9074 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,2,0,0,0,0|1,0,0]=3 9075 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,2,0,0,0,0|1,0,0]=3 9076 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,2,0,0,0,0|1,0,0]=3 9077 B14R0.394 CC(=O)OCCNCCCOCCCO 34a_100011310245_100009814007 [0,2,0,0,0,0|2,0,0]=4 9078 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,2,0,0,0,0|1,0,0]=3 9079 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,2,0,0,0,0|1,0,0]=3 9080 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,2,0,0,0,0|1,0,0]=3 9081 B14R0.394 CC(=O)OCCOCCCOCCCN 34a_100011310245_100009814007 [0,2,0,0,0,0|2,0,0]=4 9082 B14R0.394 CC(=O)OCCOCCNCCCCO 2230a_100000750430_200000083610 [0,2,0,0,0,0|2,0,0]=4 9083 B14R0.394 CC(=O)OCCOCCNCCCCO 34a_100000750430_200000083610 [0,2,0,0,0,0|2,0,0]=4 9084 B14R0.394 CC(=O)OCCOCCOCCCCBr 34a_100011216708_200000083610 [0,2,0,0,0,0|2,0,0]=4 9085 B14R0.394 CC(=O)OCCOCCOCCCCCl 34a_100000210776_200000083610 [0,2,0,0,0,0|2,0,0]=4 9086 B14R0.394 CC(=O)OCCOCCOCCCCCl 7a_100000210776_200000083610 [0,2,0,0,0,0|2,0,0]=4 9087 B14R0.394 CC(=O)OCCOCCOCCCCF 34a_100011995726_200000083610 [0,2,0,0,0,0|2,0,0]=4 9088 B14R0.394 CC(=O)OCCOCCOCCCCF 7a_100011995726_200000083610 [0,2,0,0,0,0|2,0,0]=4 9089 B14R0.394 CC(=O)OCCOCCOCCCCI 34a_200012148704_200000083610 [0,2,0,0,0,0|2,0,0]=4 9090 B14R0.394 CC(=O)OCCOCCOCCCCN 34a_100000750430_200000083610 [0,2,0,0,0,0|2,0,0]=4 9091 B14R0.394 CC(=O)OCCOCCSCCCCF 62a_100000729493_200000083610 [0,2,0,0,0,0|2,0,0]=4 9092 B14R0.394 CC(=O)OCCOCCSCCCCF 62a_200000083610_100000729493 [0,2,0,0,0,0|2,0,0]=4 9093 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_100000210776_200000083610 [0,2,0,0,0,0|2,0,0]=4 9094 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_200000083610_100000210776 [0,2,0,0,0,0|2,0,0]=4 9095 B14R0.394 CC(=O)OCCOCNCCCCCO 34a_100000762737_100000076355 [0,2,0,0,0,0|2,0,0]=4 9096 B14R0.394 CC(=O)OCCOCOCCCCCBr 34a_100000746331_100000076355 [0,2,0,0,0,0|2,0,0]=4 9097 B14R0.394 CC(=O)OCCOCOCCCCCCl 34a_100000746330_100000076355 [0,2,0,0,0,0|2,0,0]=4 9098 B14R0.394 CC(=O)OCCOCOCCCCCI 34a_200012148887_100000076355 [0,2,0,0,0,0|2,0,0]=4 9099 B14R0.394 CC(=O)OCCOCOCCCCCN 34a_100000762737_100000076355 [0,2,0,0,0,0|2,0,0]=4 9100 B14R0.394 CC(=O)OCCOCSCCCCCF 62a_100000076355_100000729378 [0,2,0,0,0,0|2,0,0]=4 9101 B14R0.394 CC(=O)OCCOCSCCCCCF 62a_100000729378_100000076355 [0,2,0,0,0,0|2,0,0]=4 9102 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000076355_100000746330 [0,2,0,0,0,0|2,0,0]=4 9103 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000746330_100000076355 [0,2,0,0,0,0|2,0,0]=4 9104 B14R0.394 CC(=O)OCCSCCCCCCC#N 62a_100009813337_100009814007 [0,2,0,0,0,0|1,0,1]=4 9105 B14R0.394 CC(=O)OCCSCCCCCCC#N 62a_100009814007_100009813337 [0,2,0,0,0,0|1,0,1]=4 9106 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,2,0,0,0,0|1,0,0]=3 9107 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,2,0,0,0,0|1,0,0]=3 9108 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,2,0,0,0,0|1,0,0]=3 9109 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,2,0,0,0,0|1,0,0]=3 9110 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,2,0,0,0,0|1,0,0]=3 9111 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,2,0,0,0,0|1,0,0]=3 9112 B14R0.394 CC(=O)OCOCCCCCNCCN 34a_103619048469_100009813279 [0,2,0,0,0,0|2,0,0]=4 9113 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,2,0,0,0,0|1,0,0]=3 9114 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,2,0,0,0,0|1,0,0]=3 9115 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,2,0,0,0,0|1,1,0]=4 9116 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,2,0,0,0,0|1,1,0]=4 9117 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,2,0,0,0,0|1,1,0]=4 9118 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,2,0,0,0,0|1,1,0]=4 9119 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,2,0,0,0,0|1,1,0]=4 9120 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,2,0,0,0,0|1,1,0]=4 9121 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,2,0,0,0,0|1,1,0]=4 9122 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,2,0,0,0,0|1,1,0]=4 9123 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,2,0,0,0,0|1,1,0]=4 9124 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,2,0,0,0,0|1,1,0]=4 9125 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,2,0,0,0,0|1,1,0]=4 9126 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,2,0,0,0,0|1,1,0]=4 9127 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,2,0,0,0,0|1,1,0]=4 9128 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,2,0,0,0,0|1,1,0]=4 9129 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,2,0,0,0,0|1,1,0]=4 9130 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,2,0,0,0,0|1,1,0]=4 9131 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,2,0,0,0,0|1,1,0]=4 9132 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,2,0,0,0,0|1,1,0]=4 9133 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,2,0,0,0,0|1,1,0]=4 9134 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,2,0,0,0,0|1,1,0]=4 9135 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,2,0,0,0,0|1,1,0]=4 9136 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,2,0,0,0,0|1,1,0]=4 9137 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,2,0,0,0,0|1,1,0]=4 9138 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,2,0,0,0,0|1,1,0]=4 9139 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,2,0,0,0,0|1,1,0]=4 9140 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,2,0,0,0,0|1,1,0]=4 9141 B14R0.394 CC(=S)OCCCNCCCCCCO 2230a_100000686447_200135323944 [0,2,0,0,0,0|1,1,0]=4 9142 B14R0.394 CC(=S)OCCCNCCCCCCO 34a_100000686447_200135323944 [0,2,0,0,0,0|1,1,0]=4 9143 B14R0.394 CC(=S)OCCCOCCCCCCBr 34a_100011215345_200135323944 [0,2,0,0,0,0|1,1,0]=4 9144 B14R0.394 CC(=S)OCCCOCCCCCCBr 7a_100011215345_200135323944 [0,2,0,0,0,0|1,1,0]=4 9145 B14R0.394 CC(=S)OCCCOCCCCCCCl 34a_100000766143_200135323944 [0,2,0,0,0,0|1,1,0]=4 9146 B14R0.394 CC(=S)OCCCOCCCCCCCl 7a_100000766143_200135323944 [0,2,0,0,0,0|1,1,0]=4 9147 B14R0.394 CC(=S)OCCCOCCCCCCF 34a_100000732779_200135323944 [0,2,0,0,0,0|1,1,0]=4 9148 B14R0.394 CC(=S)OCCCOCCCCCCF 7a_100000732779_200135323944 [0,2,0,0,0,0|1,1,0]=4 9149 B14R0.394 CC(=S)OCCCOCCCCCCN 34a_100000686447_200135323944 [0,2,0,0,0,0|1,1,0]=4 9150 B14R0.394 CC(=S)OCCCSCCCCCCF 62a_100015922095_200135323944 [0,2,0,0,0,0|1,1,0]=4 9151 B14R0.394 CC(=S)OCCCSCCCCCCF 62a_200135323944_100015922095 [0,2,0,0,0,0|1,1,0]=4 9152 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_100000766143_200135323944 [0,2,0,0,0,0|1,1,0]=4 9153 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_200135323944_100000766143 [0,2,0,0,0,0|1,1,0]=4 9154 B14R0.394 CC(C)CCCCCCNCCCC=O 2230a_100000211014_200011292268 [0,2,0,0,0,0|1,0,0]=3 9155 B14R0.394 CC(C)CCCCCNCCCCC=O 2230a_100011290863_100000139335 [0,2,0,0,0,0|1,0,0]=3 9156 B14R0.394 CC(C)CCCCCOCCCCC=O 7a_100011995859_100000139335 [0,2,0,0,0,0|1,0,0]=3 9157 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000139335_100000210682 [0,2,0,0,0,0|1,0,0]=3 9158 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000210682_100000139335 [0,2,0,0,0,0|1,0,0]=3 9159 B14R0.394 CC(C)CCCCOCCCCCC=O 7a_100011214890_100000139337 [0,2,0,0,0,0|1,0,0]=3 9160 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100000139337_100011216152 [0,2,0,0,0,0|1,0,0]=3 9161 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100011216152_100000139337 [0,2,0,0,0,0|1,0,0]=3 9162 B14R0.394 CC(C)COCCCNCCCCC=O 2230a_100000205972_100000139335 [0,2,0,0,0,0|2,0,0]=4 9163 B14R0.394 CC(C)COCCOCCCCCC=O 7a_100000703358_100000139337 [0,2,0,0,0,0|2,0,0]=4 9164 B14R0.394 CC(C)CSCCOCCCCCC=O 7a_200000230437_100000139337 [0,2,0,0,0,0|2,0,0]=4 9165 B14R0.394 CC(C)OCCCCCCCCCCBr 34a_100009813290_100000210206 [0,2,0,0,0,0|1,0,1]=4 9166 B14R0.394 CC(C)OCCCCCCCCCCBr 7a_100009813290_100000210206 [0,2,0,0,0,0|1,0,1]=4 9167 B14R0.394 CC(C)OCCCCCCCCCCCl 34a_200000033068_100000210206 [0,2,0,0,0,0|1,0,1]=4 9168 B14R0.394 CC(C)OCCCCCCCCCCCl 7a_200000033068_100000210206 [0,2,0,0,0,0|1,0,1]=4 9169 B14R0.394 CC(C)OCCCCCCCCCCN 34a_100000066964_100000210206 [0,2,0,0,0,0|1,0,1]=4 9170 B14R0.394 CC(C)OCCCCCCCCCCO 34a_100000212225_100009813290 [0,2,0,0,0,0|1,0,1]=4 9171 B14R0.394 CC(C)OCCCNCCCCCC=O 2230a_100000737246_100000139337 [0,2,0,0,0,0|2,0,0]=4 9172 B14R0.394 CC/C=C/CCCOCCCOC(=O)C 34a_100016287902_100000042594 [0,2,0,0,0,0|0,0,2]=4 9173 B14R0.394 CC/C=C/CCCOCCCOC(=O)C 7a_100016287902_100000042594 [0,2,0,0,0,0|0,0,2]=4 9174 B14R0.394 CC/C=C\CCCCCOCOC(=O)C 34a_100016268722_100009813279 [0,2,0,0,0,0|0,0,2]=4 9175 B14R0.394 CC/C=C\CCCCOCCOC(=O)C 34a_100016287862_100009814007 [0,2,0,0,0,0|0,0,2]=4 9176 B14R0.394 CC/C=C\CCCCOCCOC(=O)C 7a_100016287862_100009814007 [0,2,0,0,0,0|0,0,2]=4 9177 B14R0.394 CC/C=C\CCCCOCCOC(=O)N 34a_100016287862_200011214921 [0,2,0,0,0,0|0,0,2]=4 9178 B14R0.394 CC/C=C\CCCCOCCOC(=O)N 7a_100016287862_200011214921 [0,2,0,0,0,0|0,0,2]=4 9179 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 34a_100000073216_100015370543 [0,2,0,0,0,0|0,0,2]=4 9180 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 34a_100016288707_100000033659 [0,2,0,0,0,0|0,0,2]=4 9181 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 7a_100000073216_100015370543 [0,2,0,0,0,0|0,0,2]=4 9182 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 7a_100016288707_100000033659 [0,2,0,0,0,0|0,0,2]=4 9183 B14R0.394 CC/C=C\CCSCCCCOC(=O)C 62a_100000033659_100015370543 [0,2,0,0,0,0|0,0,2]=4 9184 B14R0.394 CC/C=C\CCSCCCCOC(=O)C 62a_100015370543_100000033659 [0,2,0,0,0,0|0,0,2]=4 9185 B14R0.394 CC/C=C\COCCCCCOC(=O)C 34a_100016268518_100000033007 [0,2,0,0,0,0|0,0,2]=4 9186 B14R0.394 CC/C=C\CSCCCCCOC(=O)C 62a_100000033007_100103147603 [0,2,0,0,0,0|0,0,2]=4 9187 B14R0.394 CC/C=C\CSCCCCCOC(=O)C 62a_100103147603_100000033007 [0,2,0,0,0,0|0,0,2]=4 9188 B14R0.394 CC=CCCCOCCCCCC(C)C 34a_100020645299_100000210682 [0,2,0,0,0,0|2,0,0]=4 9189 B14R0.394 CC=CCCCOCCCCOC(=O)C 34a_100020645299_100000033659 [0,2,0,0,0,0|0,0,2]=4 9190 B14R0.394 CC=CCOCCCCCCCC(C)C 34a_200000210741_100000070051 [0,2,0,0,0,0|2,0,0]=4 9191 B14R0.394 CC=CCOCCCCCCCC(C)C 7a_200000210741_100000070051 [0,2,0,0,0,0|2,0,0]=4 9192 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,2,0,0,0,0|0,0,2]=4 9193 B14R0.394 CCC#CCCOCCCCOC(=O)C 34a_100000036655_100000033659 [0,2,0,0,0,0|0,0,2]=4 9194 B14R0.394 CCC#CCCOCCCCOC(=O)C 7a_100000036655_100000033659 [0,2,0,0,0,0|0,0,2]=4 9195 B14R0.394 CCC#CCOCCCCCOC(=O)C 34a_100000032950_100000033007 [0,2,0,0,0,0|0,0,2]=4 9196 B14R0.394 CCC#CCSCCCCCOC(=O)C 62a_100000033007_100009813939 [0,2,0,0,0,0|0,0,2]=4 9197 B14R0.394 CCC#CCSCCCCCOC(=O)C 62a_100009813939_100000033007 [0,2,0,0,0,0|0,0,2]=4 9198 B14R0.394 CCC/C=C/COCCCCOC(=O)C 34a_100016278788_100000033659 [0,2,0,0,0,0|0,0,2]=4 9199 B14R0.394 CCC/C=C/COCCCCOC(=O)C 7a_100016278788_100000033659 [0,2,0,0,0,0|0,0,2]=4 9200 B14R0.394 CCCC#CCCOCCCOC(=O)C 34a_100000042726_100000042594 [0,2,0,0,0,0|0,0,2]=4 9201 B14R0.394 CCCC#CCCOCCCOC(=O)C 7a_100000042726_100000042594 [0,2,0,0,0,0|0,0,2]=4 9202 B14R0.394 CCCC#CCOCCCCOC(=O)C 34a_100000034806_100000033659 [0,2,0,0,0,0|0,0,2]=4 9203 B14R0.394 CCCC#CCOCCCCOC(=O)C 7a_100000034806_100000033659 [0,2,0,0,0,0|0,0,2]=4 9204 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,2,0,0,0,0|0,0,2]=4 9205 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,2,0,0,0,0|0,0,2]=4 9206 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,2,0,0,0,0|0,0,2]=4 9207 B14R0.394 CCCC/C=C/COCCCOC(=O)C 34a_200016272032_100000042594 [0,2,0,0,0,0|0,0,2]=4 9208 B14R0.394 CCCC/C=C/COCCCOC(=O)C 7a_200016272032_100000042594 [0,2,0,0,0,0|0,0,2]=4 9209 B14R0.394 CCCC/C=C\CCOCCOC(=O)C 34a_200016286491_100009814007 [0,2,0,0,0,0|0,0,2]=4 9210 B14R0.394 CCCC/C=C\CCOCCOC(=O)C 7a_200016286491_100009814007 [0,2,0,0,0,0|0,0,2]=4 9211 B14R0.394 CCCC/C=C\CCOCCOC(=O)N 34a_200016286491_200011214921 [0,2,0,0,0,0|0,0,2]=4 9212 B14R0.394 CCCC/C=C\CCOCCOC(=O)N 7a_200016286491_200011214921 [0,2,0,0,0,0|0,0,2]=4 9213 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,2,0,0,0,0|1,0,1]=4 9214 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,2,0,0,0,0|0,0,2]=4 9215 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,2,0,0,0,0|0,0,2]=4 9216 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,2,0,0,0,0|0,0,2]=4 9217 B14R0.394 CCCCC#CCCCSCOC(=O)C 62a_100000076356_200000047210 [0,2,0,0,0,0|0,0,2]=4 9218 B14R0.394 CCCCC#CCCCSCOC(=O)C 62a_200000047210_100000076356 [0,2,0,0,0,0|0,0,2]=4 9219 B14R0.394 CCCCC#CCCOCCOC(=O)C 34a_100000037610_100009814007 [0,2,0,0,0,0|0,0,2]=4 9220 B14R0.394 CCCCC#CCCOCCOC(=O)C 7a_100000037610_100009814007 [0,2,0,0,0,0|0,0,2]=4 9221 B14R0.394 CCCCC#CCCOCCOC(=O)N 34a_100000037610_200011214921 [0,2,0,0,0,0|0,0,2]=4 9222 B14R0.394 CCCCC#CCCOCCOC(=O)N 7a_100000037610_200011214921 [0,2,0,0,0,0|0,0,2]=4 9223 B14R0.394 CCCCC#CCOCCCOC(=O)C 34a_200000034558_100000042594 [0,2,0,0,0,0|0,0,2]=4 9224 B14R0.394 CCCCC#CCOCCCOC(=O)C 7a_200000034558_100000042594 [0,2,0,0,0,0|0,0,2]=4 9225 B14R0.394 CCCCC/C=C/COCCOC(=O)C 34a_100016258190_100009814007 [0,2,0,0,0,0|0,0,2]=4 9226 B14R0.394 CCCCC/C=C/COCCOC(=O)C 7a_100016258190_100009814007 [0,2,0,0,0,0|0,0,2]=4 9227 B14R0.394 CCCCC/C=C/COCCOC(=O)N 34a_100016258190_200011214921 [0,2,0,0,0,0|0,0,2]=4 9228 B14R0.394 CCCCC/C=C/COCCOC(=O)N 7a_100016258190_200011214921 [0,2,0,0,0,0|0,0,2]=4 9229 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,2,0,0,0,0|0,0,2]=4 9230 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,2,0,0,0,0|0,0,2]=4 9231 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,2,0,0,0,0|0,0,2]=4 9232 B14R0.394 CCCCC/C=C\CCOCOC(=O)C 34a_100016277358_100009813279 [0,2,0,0,0,0|0,0,2]=4 9233 B14R0.394 CCCCCC#CCCOCOC(=O)C 34a_200000042877_100009813279 [0,2,0,0,0,0|0,0,2]=4 9234 B14R0.394 CCCCCC#CCOCCOC(=O)C 34a_200000033628_100009814007 [0,2,0,0,0,0|0,0,2]=4 9235 B14R0.394 CCCCCC#CCOCCOC(=O)C 7a_200000033628_100009814007 [0,2,0,0,0,0|0,0,2]=4 9236 B14R0.394 CCCCCC#CCOCCOC(=O)N 34a_200000033628_200011214921 [0,2,0,0,0,0|0,0,2]=4 9237 B14R0.394 CCCCCC#CCOCCOC(=O)N 7a_100000766696_100009816472 [0,2,0,0,0,0|0,0,2]=4 9238 B14R0.394 CCCCCC#CCOCCOC(=O)N 7a_200000033628_200011214921 [0,2,0,0,0,0|0,0,2]=4 9239 B14R0.394 CCCCCC#CCSCCOC(=O)C 62a_100009814007_100009816472 [0,2,0,0,0,0|0,0,2]=4 9240 B14R0.394 CCCCCC#CCSCCOC(=O)C 62a_100009816472_100009814007 [0,2,0,0,0,0|0,0,2]=4 9241 B14R0.394 CCCCCC#CCSCCOC(=O)N 62a_100009816472_200011214921 [0,2,0,0,0,0|0,0,2]=4 9242 B14R0.394 CCCCCC#CCSCCOC(=O)N 62a_200011214921_100009816472 [0,2,0,0,0,0|0,0,2]=4 9243 B14R0.394 CCCCCC/C=C/COCOC(=O)C 34a_200016276170_100009813279 [0,2,0,0,0,0|0,0,2]=4 9244 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,2,0,0,0,0|0,0,2]=4 9245 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,2,0,0,0,0|0,0,2]=4 9246 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,2,0,0,0,0|0,0,2]=4 9247 B14R0.394 CCCCCCC#CCOCOC(=O)C 34a_200000037284_100009813279 [0,2,0,0,0,0|0,0,2]=4 9248 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,2,0,0,0,0|0,0,2]=4 9249 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,2,0,0,0,0|0,0,2]=4 9250 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,2,0,0,0,0|0,0,2]=4 9251 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,2,0,0,0,0|1,0,1]=4 9252 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,2,0,0,0,0|1,0,0]=3 9253 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,2,0,0,0,0|1,0,0]=3 9254 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,2,0,0,0,0|1,0,0]=3 9255 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 9256 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 9257 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,2,0,0,0,0|1,0,0]=3 9258 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,2,0,0,0,0|1,0,0]=3 9259 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,2,0,0,0,0|1,0,1]=4 9260 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,2,0,0,0,0|1,0,1]=4 9261 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,2,0,0,0,0|1,0,1]=4 9262 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,2,0,0,0,0|1,0,0]=3 9263 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,2,0,0,0,0|1,0,0]=3 9264 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,2,0,0,0,0|1,0,0]=3 9265 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,2,0,0,0,0|1,0,0]=3 9266 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,2,0,0,0,0|1,0,0]=3 9267 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,2,0,0,0,0|1,0,1]=4 9268 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,2,0,0,0,0|0,0,0]=2 9269 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,2,0,0,0,0|0,0,0]=2 9270 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,2,0,0,0,0|0,0,0]=2 9271 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,2,0,0,0,0|0,0,0]=2 9272 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,2,0,0,0,0|1,0,1]=4 9273 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,2,0,0,0,0|1,0,1]=4 9274 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,2,0,0,0,0|1,0,1]=4 9275 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,2,0,0,0,0|1,0,1]=4 9276 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,2,0,0,0,0|1,0,1]=4 9277 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,2,0,0,0,0|0,0,2]=4 9278 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,2,0,0,0,0|0,0,2]=4 9279 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,2,0,0,0,0|1,0,1]=4 9280 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,2,0,0,0,0|1,0,1]=4 9281 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,2,0,0,0,0|1,0,1]=4 9282 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,2,0,0,0,0|1,0,1]=4 9283 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,2,0,0,0,0|1,0,1]=4 9284 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,2,0,0,0,0|0,0,2]=4 9285 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,2,0,0,0,0|0,0,2]=4 9286 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,2,0,0,0,0|0,0,1]=3 9287 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,2,0,0,0,0|0,1,0]=3 9288 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,2,0,0,0,0|0,1,0]=3 9289 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,2,0,0,0,0|2,0,0]=4 9290 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,2,0,0,0,0|2,0,0]=4 9291 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,2,0,0,0,0|2,0,0]=4 9292 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,2,0,0,0,0|1,0,0]=3 9293 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,2,0,0,0,0|1,0,0]=3 9294 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,2,0,0,0,0|0,0,0]=2 9295 B14R0.394 CCCCCCCCCNCOC(C)C 2230a_100000212291_100000709892 [0,2,0,0,0,0|1,0,1]=4 9296 B14R0.394 CCCCCCCCCNCOC(C)C 34a_100000212291_100000709892 [0,2,0,0,0,0|1,0,1]=4 9297 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,2,0,0,0,0|1,0,0]=3 9298 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,2,0,0,0,0|2,0,0]=4 9299 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,2,0,0,0,0|2,0,0]=4 9300 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,2,0,0,0,0|2,0,0]=4 9301 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,2,0,0,0,0|1,0,0]=3 9302 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,2,0,0,0,0|1,0,0]=3 9303 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,2,0,0,0,0|1,0,0]=3 9304 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,2,0,0,0,0|1,0,0]=3 9305 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,2,0,0,0,0|1,0,0]=3 9306 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,2,0,0,0,0|1,0,0]=3 9307 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,2,0,0,0,0|1,0,0]=3 9308 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,2,0,0,0,0|0,0,0]=2 9309 B14R0.394 CCCCCCCCCOCOC(C)C 34a_100000210712_100000709892 [0,2,0,0,0,0|1,0,1]=4 9310 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,2,0,0,0,0|1,0,0]=3 9311 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,2,0,0,0,0|1,0,0]=3 9312 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,2,0,0,0,0|0,0,0]=2 9313 B14R0.394 CCCCCCCCCSCOC(C)C 62a_100000709892_100000210670 [0,2,0,0,0,0|1,0,1]=4 9314 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,2,0,0,0,0|2,0,0]=4 9315 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,2,0,0,0,0|2,0,0]=4 9316 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,2,0,0,0,0|2,0,0]=4 9317 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,2,0,0,0,0|2,0,0]=4 9318 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,2,0,0,0,0|1,0,0]=3 9319 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,2,0,0,0,0|1,0,0]=3 9320 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,2,0,0,0,0|1,0,0]=3 9321 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,2,0,0,0,0|2,0,0]=4 9322 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,2,0,0,0,0|1,0,0]=3 9323 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,2,0,0,0,0|1,0,0]=3 9324 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,2,0,0,0,0|1,0,0]=3 9325 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,2,0,0,0,0|1,0,0]=3 9326 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,2,0,0,0,0|0,0,0]=2 9327 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,2,0,0,0,0|0,0,0]=2 9328 B14R0.394 CCCCCCCCNCCOC(C)C 2230a_100000229939_100000211751 [0,2,0,0,0,0|1,0,1]=4 9329 B14R0.394 CCCCCCCCNCCOC(C)C 2230a_100000701111_100000210759 [0,2,0,0,0,0|1,0,1]=4 9330 B14R0.394 CCCCCCCCNCCOC(C)C 34a_100000229939_100000211751 [0,2,0,0,0,0|1,0,1]=4 9331 B14R0.394 CCCCCCCCNCCOC(C)C 34a_100000701111_100000210759 [0,2,0,0,0,0|1,0,1]=4 9332 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,2,0,0,0,0|2,0,0]=4 9333 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,2,0,0,0,0|2,0,0]=4 9334 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,2,0,0,0,0|2,0,0]=4 9335 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,2,0,0,0,0|2,0,0]=4 9336 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,2,0,0,0,0|1,0,0]=3 9337 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,2,0,0,0,0|1,0,0]=3 9338 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,2,0,0,0,0|1,0,0]=3 9339 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,2,0,0,0,0|1,0,0]=3 9340 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,2,0,0,0,0|1,0,0]=3 9341 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,2,0,0,0,0|1,0,0]=3 9342 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,2,0,0,0,0|2,0,0]=4 9343 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,2,0,0,0,0|1,0,0]=3 9344 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,2,0,0,0,0|1,0,0]=3 9345 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,2,0,0,0,0|1,0,0]=3 9346 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,2,0,0,0,0|1,0,0]=3 9347 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,2,0,0,0,0|0,0,0]=2 9348 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,2,0,0,0,0|0,0,0]=2 9349 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,2,0,0,0,0|0,0,0]=2 9350 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,2,0,0,0,0|0,0,0]=2 9351 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,2,0,0,0,0|0,0,0]=2 9352 B14R0.394 CCCCCCCCOCCOC(C)C 34a_100000210232_100000211751 [0,2,0,0,0,0|1,0,1]=4 9353 B14R0.394 CCCCCCCCOCCOC(C)C 34a_100000211219_100000210759 [0,2,0,0,0,0|1,0,1]=4 9354 B14R0.394 CCCCCCCCOCCOC(C)C 7a_100000210232_100000211751 [0,2,0,0,0,0|1,0,1]=4 9355 B14R0.394 CCCCCCCCOCCOC(C)C 7a_100000211219_100000210759 [0,2,0,0,0,0|1,0,1]=4 9356 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,2,0,0,0,0|1,0,0]=3 9357 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,2,0,0,0,0|1,0,0]=3 9358 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,2,0,0,0,0|1,0,0]=3 9359 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,2,0,0,0,0|1,0,0]=3 9360 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,2,0,0,0,0|1,0,0]=3 9361 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,2,0,0,0,0|1,0,0]=3 9362 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,2,0,0,0,0|1,0,0]=3 9363 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,2,0,0,0,0|1,0,0]=3 9364 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,2,0,0,0,0|0,0,0]=2 9365 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,2,0,0,0,0|0,0,0]=2 9366 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,2,0,0,0,0|0,0,0]=2 9367 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,2,0,0,0,0|0,0,0]=2 9368 B14R0.394 CCCCCCCCSCCOC(C)C 62a_100000210759_100000211751 [0,2,0,0,0,0|1,0,1]=4 9369 B14R0.394 CCCCCCCCSCCOC(C)C 62a_100000211751_100000210317 [0,2,0,0,0,0|1,0,1]=4 9370 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,2,0,0,0,0|1,0,0]=3 9371 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,2,0,0,0,0|1,0,0]=3 9372 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,2,0,0,0,0|0,1,0]=3 9373 B14R0.394 CCCCCCCNCCCOC(C)C 2230a_100000737246_100000210681 [0,2,0,0,0,0|1,0,1]=4 9374 B14R0.394 CCCCCCCNCCCOC(C)C 34a_100000737246_100000210614 [0,2,0,0,0,0|1,0,1]=4 9375 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,2,0,0,0,0|0,1,0]=3 9376 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,2,0,0,0,0|1,0,0]=3 9377 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,2,0,0,0,0|1,0,0]=3 9378 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,2,0,0,0,0|1,0,0]=3 9379 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,2,0,0,0,0|1,0,0]=3 9380 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,2,0,0,0,0|1,0,0]=3 9381 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,2,0,0,0,0|1,0,0]=3 9382 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,2,0,0,0,0|2,0,0]=4 9383 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,2,0,0,0,0|2,0,0]=4 9384 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,2,0,0,0,0|1,0,0]=3 9385 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,2,0,0,0,0|0,0,0]=2 9386 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,2,0,0,0,0|0,0,0]=2 9387 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,2,0,0,0,0|0,1,0]=3 9388 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,2,0,0,0,0|0,1,0]=3 9389 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,2,0,0,0,0|0,1,0]=3 9390 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,2,0,0,0,0|0,1,0]=3 9391 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 9392 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 9393 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,2,0,0,0,0|1,0,0]=3 9394 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,2,0,0,0,0|1,0,0]=3 9395 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,2,0,0,0,0|0,0,0]=2 9396 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,2,0,0,0,0|0,0,0]=2 9397 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,2,0,0,0,0|0,1,0]=3 9398 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,2,0,0,0,0|0,1,0]=3 9399 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,2,0,0,0,0|0,1,0]=3 9400 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,2,0,0,0,0|0,1,0]=3 9401 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,2,0,0,0,0|1,0,0]=3 9402 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,2,0,0,0,0|1,0,0]=3 9403 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,2,0,0,0,0|1,0,0]=3 9404 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 9405 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 9406 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,2,0,0,0,0|0,1,0]=3 9407 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,2,0,0,0,0|1,0,0]=3 9408 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,2,0,0,0,0|1,0,0]=3 9409 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,2,0,0,0,0|1,0,0]=3 9410 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,2,0,0,0,0|1,0,0]=3 9411 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,2,0,0,0,0|1,0,0]=3 9412 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,2,0,0,0,0|0,0,0]=2 9413 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,2,0,0,0,0|0,0,0]=2 9414 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,2,0,0,0,0|0,0,0]=2 9415 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,2,0,0,0,0|0,0,0]=2 9416 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,2,0,0,0,0|1,0,0]=3 9417 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,2,0,0,0,0|1,0,0]=3 9418 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,2,0,0,0,0|0,1,0]=3 9419 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,2,0,0,0,0|0,1,0]=3 9420 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,2,0,0,0,0|2,0,0]=4 9421 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,2,0,0,0,0|2,0,0]=4 9422 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,2,0,0,0,0|2,0,0]=4 9423 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,2,0,0,0,0|1,0,0]=3 9424 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,2,0,0,0,0|1,0,0]=3 9425 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,2,0,0,0,0|1,0,0]=3 9426 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,2,0,0,0,0|1,0,0]=3 9427 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,2,0,0,0,0|0,0,0]=2 9428 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,2,0,0,0,0|0,0,0]=2 9429 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,2,0,0,0,0|1,0,0]=3 9430 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,2,0,0,0,0|0,1,0]=3 9431 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,2,0,0,0,0|0,1,0]=3 9432 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,2,0,0,0,0|1,0,0]=3 9433 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,2,0,0,0,0|1,0,0]=3 9434 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,2,0,0,0,0|1,0,0]=3 9435 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,2,0,0,0,0|1,0,0]=3 9436 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,2,0,0,0,0|0,0,0]=2 9437 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,2,0,0,0,0|2,0,0]=4 9438 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,2,0,0,0,0|2,0,0]=4 9439 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,2,0,0,0,0|1,0,0]=3 9440 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,2,0,0,0,0|1,0,0]=3 9441 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,2,0,0,0,0|1,0,0]=3 9442 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,2,0,0,0,0|0,0,0]=2 9443 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,2,0,0,0,0|0,0,0]=2 9444 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,2,0,0,0,0|2,0,0]=4 9445 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,2,0,0,0,0|2,0,0]=4 9446 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,2,0,0,0,0|2,0,0]=4 9447 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,2,0,0,0,0|2,0,0]=4 9448 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,2,0,0,0,0|2,0,0]=4 9449 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,2,0,0,0,0|2,0,0]=4 9450 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,2,0,0,0,0|1,0,0]=3 9451 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,2,0,0,0,0|1,0,0]=3 9452 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,2,0,0,0,0|1,0,0]=3 9453 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,2,0,0,0,0|1,0,0]=3 9454 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,2,0,0,0,0|1,0,0]=3 9455 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,2,0,0,0,0|1,0,0]=3 9456 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,2,0,0,0,0|0,0,0]=2 9457 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,2,0,0,0,0|0,0,0]=2 9458 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,2,0,0,0,0|1,0,0]=3 9459 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,2,0,0,0,0|1,0,0]=3 9460 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,2,0,0,0,0|1,0,0]=3 9461 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,2,0,0,0,0|1,0,0]=3 9462 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,2,0,0,0,0|2,0,0]=4 9463 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,2,0,0,0,0|1,0,0]=3 9464 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,2,0,0,0,0|2,0,0]=4 9465 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,2,0,0,0,0|2,0,0]=4 9466 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,2,0,0,0,0|2,0,0]=4 9467 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,2,0,0,0,0|2,0,0]=4 9468 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,2,0,0,0,0|1,0,0]=3 9469 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,2,0,0,0,0|2,0,0]=4 9470 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,2,0,0,0,0|2,0,0]=4 9471 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,2,0,0,0,0|2,0,0]=4 9472 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,2,0,0,0,0|2,0,0]=4 9473 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,2,0,0,0,0|1,0,0]=3 9474 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,2,0,0,0,0|1,0,0]=3 9475 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,2,0,0,0,0|2,0,0]=4 9476 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,2,0,0,0,0|2,0,0]=4 9477 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,2,0,0,0,0|2,0,0]=4 9478 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,2,0,0,0,0|2,0,0]=4 9479 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,2,0,0,0,0|2,0,0]=4 9480 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,2,0,0,0,0|2,0,0]=4 9481 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,2,0,0,0,0|1,0,0]=3 9482 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,2,0,0,0,0|1,0,0]=3 9483 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,2,0,0,0,0|1,0,0]=3 9484 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,2,0,0,0,0|1,0,0]=3 9485 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,2,0,0,0,0|2,0,0]=4 9486 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,2,0,0,0,0|2,0,0]=4 9487 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,2,0,0,0,0|2,0,0]=4 9488 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,2,0,0,0,0|2,0,0]=4 9489 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,2,0,0,0,0|2,0,0]=4 9490 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,2,0,0,0,0|2,0,0]=4 9491 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,2,0,0,0,0|2,0,0]=4 9492 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,2,0,0,0,0|2,0,0]=4 9493 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,2,0,0,0,0|1,0,0]=3 9494 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,2,0,0,0,0|1,0,0]=3 9495 B14R0.394 CCCCOCCOCCCOC(=S)C 34a_100000210238_200135323944 [0,2,0,0,0,0|1,1,0]=4 9496 B14R0.394 CCCCOCCOCCCOC(=S)C 7a_100000210238_200135323944 [0,2,0,0,0,0|1,1,0]=4 9497 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,2,0,0,0,0|1,1,0]=4 9498 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,2,0,0,0,0|1,1,0]=4 9499 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 9500 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 9501 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 9502 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 9503 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,2,0,0,0,0|2,0,0]=4 9504 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,2,0,0,0,0|2,0,0]=4 9505 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,2,0,0,0,0|2,0,0]=4 9506 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,2,0,0,0,0|1,0,0]=3 9507 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,2,0,0,0,0|1,0,0]=3 9508 B14R0.394 CCCCOCCSCCCOC(=S)C 62a_100000743108_200135323944 [0,2,0,0,0,0|1,1,0]=4 9509 B14R0.394 CCCCOCCSCCCOC(=S)C 62a_200135323944_100000743108 [0,2,0,0,0,0|1,1,0]=4 9510 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,2,0,0,0,0|1,1,0]=4 9511 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,2,0,0,0,0|1,1,0]=4 9512 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,2,0,0,0,0|2,0,0]=4 9513 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,2,0,0,0,0|2,0,0]=4 9514 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 9515 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 9516 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,2,0,0,0,0|2,0,0]=4 9517 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,2,0,0,0,0|1,0,0]=3 9518 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,2,0,0,0,0|2,0,0]=4 9519 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,2,0,0,0,0|2,0,0]=4 9520 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,2,0,0,0,0|1,0,0]=3 9521 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,2,0,0,0,0|1,0,0]=3 9522 B14R0.394 CCCCOCSCCCCO[N+](=O)[O-] 62a_100011995733_100015694321 [0,2,0,0,0,0|2,0,0]=4 9523 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,2,0,0,0,0|1,1,0]=4 9524 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,2,0,0,0,0|1,1,0]=4 9525 B14R0.394 CCCCOCSCOCCOC(=O)C 62a_100000076355_100011995733 [0,2,0,0,0,0|2,0,0]=4 9526 B14R0.394 CCCCOCSCOCCOC(=O)C 62a_100011995733_100000076355 [0,2,0,0,0,0|2,0,0]=4 9527 B14R0.394 CCCCSCCNCCCOC(=S)C 2230a_100025743550_200135323944 [0,2,0,0,0,0|1,1,0]=4 9528 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,2,0,0,0,0|1,1,0]=4 9529 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,2,0,0,0,0|2,0,0]=4 9530 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,2,0,0,0,0|2,0,0]=4 9531 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,2,0,0,0,0|2,0,0]=4 9532 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,2,0,0,0,0|1,0,0]=3 9533 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,2,0,0,0,0|1,0,0]=3 9534 B14R0.394 CCCCSCCOCCCOC(=S)C 34a_200000230436_200135323944 [0,2,0,0,0,0|1,1,0]=4 9535 B14R0.394 CCCCSCCOCCCOC(=S)C 7a_200000230436_200135323944 [0,2,0,0,0,0|1,1,0]=4 9536 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,2,0,0,0,0|1,1,0]=4 9537 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,2,0,0,0,0|1,1,0]=4 9538 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 9539 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 9540 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,2,0,0,0,0|2,0,0]=4 9541 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,2,0,0,0,0|1,0,0]=3 9542 B14R0.394 CCCOCCCNCCCOC(=S)C 2230a_100011217757_200135323944 [0,2,0,0,0,0|1,1,0]=4 9543 B14R0.394 CCCOCCCNCCCOC(=S)C 34a_100011217757_200135323944 [0,2,0,0,0,0|1,1,0]=4 9544 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,2,0,0,0,0|1,1,0]=4 9545 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,2,0,0,0,0|1,1,0]=4 9546 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 9547 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 9548 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,2,0,0,0,0|2,0,0]=4 9549 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,2,0,0,0,0|2,0,0]=4 9550 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 9551 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 9552 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,2,0,0,0,0|1,0,0]=3 9553 B14R0.394 CCCOCCNCCCCO[N+](=O)[O-] 34a_100161115042_100015694321 [0,2,0,0,0,0|2,0,0]=4 9554 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,2,0,0,0,0|1,1,0]=4 9555 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,2,0,0,0,0|1,1,0]=4 9556 B14R0.394 CCCOCCNCOCCOC(=O)C 34a_100161115042_100000076355 [0,2,0,0,0,0|2,0,0]=4 9557 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,2,0,0,0,0|2,0,0]=4 9558 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,2,0,0,0,0|2,0,0]=4 9559 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,2,0,0,0,0|2,0,0]=4 9560 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,2,0,0,0,0|2,0,0]=4 9561 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,2,0,0,0,0|2,0,0]=4 9562 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,2,0,0,0,0|1,0,0]=3 9563 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,2,0,0,0,0|1,0,0]=3 9564 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,2,0,0,0,0|1,0,0]=3 9565 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,2,0,0,0,0|1,0,0]=3 9566 B14R0.394 CCCOCCOCCCCO[N+](=O)[O-] 34a_100000752267_100015694321 [0,2,0,0,0,0|2,0,0]=4 9567 B14R0.394 CCCOCCOCCCCO[N+](=O)[O-] 7a_100000752267_100015694321 [0,2,0,0,0,0|2,0,0]=4 9568 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,2,0,0,0,0|1,1,0]=4 9569 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,2,0,0,0,0|1,1,0]=4 9570 B14R0.394 CCCOCCOCCNCOC(=O)C 34a_200011904461_100009813279 [0,2,0,0,0,0|2,0,0]=4 9571 B14R0.394 CCCOCCOCOCCOC(=O)C 34a_100000752267_100000076355 [0,2,0,0,0,0|2,0,0]=4 9572 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,2,0,0,0,0|2,0,0]=4 9573 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,2,0,0,0,0|2,0,0]=4 9574 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,2,0,0,0,0|1,0,0]=3 9575 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,2,0,0,0,0|1,0,0]=3 9576 B14R0.394 CCCOCCSCCCCO[N+](=O)[O-] 62a_100011215938_100015694321 [0,2,0,0,0,0|2,0,0]=4 9577 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,2,0,0,0,0|1,1,0]=4 9578 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,2,0,0,0,0|1,1,0]=4 9579 B14R0.394 CCCOCCSCOCCOC(=O)C 62a_100000076355_100011215938 [0,2,0,0,0,0|2,0,0]=4 9580 B14R0.394 CCCOCCSCOCCOC(=O)C 62a_100011215938_100000076355 [0,2,0,0,0,0|2,0,0]=4 9581 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,2,0,0,0,0|2,0,0]=4 9582 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,2,0,0,0,0|1,1,0]=4 9583 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,2,0,0,0,0|2,0,0]=4 9584 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,2,0,0,0,0|2,0,0]=4 9585 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,2,0,0,0,0|1,0,0]=3 9586 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,2,0,0,0,0|1,0,0]=3 9587 B14R0.394 CCCSCCOCCCCO[N+](=O)[O-] 34a_200000230433_100015694321 [0,2,0,0,0,0|2,0,0]=4 9588 B14R0.394 CCCSCCOCCCCO[N+](=O)[O-] 7a_200000230433_100015694321 [0,2,0,0,0,0|2,0,0]=4 9589 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,2,0,0,0,0|1,1,0]=4 9590 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,2,0,0,0,0|1,1,0]=4 9591 B14R0.394 CCCSCCOCOCCOC(=O)C 34a_200000230433_100000076355 [0,2,0,0,0,0|2,0,0]=4 9592 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,2,0,0,0,0|2,0,0]=4 9593 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,2,0,0,0,0|2,0,0]=4 9594 B14R0.394 CCOCCCNCCCCCC(C)C 2230a_100000210961_100000210682 [0,2,0,0,0,0|1,0,1]=4 9595 B14R0.394 CCOCCCNCCCCCC(C)C 2230a_100011290863_100012232248 [0,2,0,0,0,0|1,0,1]=4 9596 B14R0.394 CCOCCCNCCCCCC(C)C 34a_100000210961_100000210682 [0,2,0,0,0,0|1,0,1]=4 9597 B14R0.394 CCOCCCNCCCCCC(C)C 34a_100011290863_100012232248 [0,2,0,0,0,0|1,0,1]=4 9598 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 9599 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 9600 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,2,0,0,0,0|1,0,0]=3 9601 B14R0.394 CCOCCCNCCCCO[N+](=O)[O-] 34a_100000210961_100015694321 [0,2,0,0,0,0|2,0,0]=4 9602 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,2,0,0,0,0|1,1,0]=4 9603 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,2,0,0,0,0|1,1,0]=4 9604 B14R0.394 CCOCCCNCOCCOC(=O)C 34a_100000210961_100000076355 [0,2,0,0,0,0|2,0,0]=4 9605 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,2,0,0,0,0|2,0,0]=4 9606 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,2,0,0,0,0|2,0,0]=4 9607 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,2,0,0,0,0|2,0,0]=4 9608 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,2,0,0,0,0|2,0,0]=4 9609 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,2,0,0,0,0|2,0,0]=4 9610 B14R0.394 CCOCCCOCCCCCC(C)C 34a_100000757476_100000210682 [0,2,0,0,0,0|1,0,1]=4 9611 B14R0.394 CCOCCCOCCCCCC(C)C 34a_100011995859_100012232248 [0,2,0,0,0,0|1,0,1]=4 9612 B14R0.394 CCOCCCOCCCCCC(C)C 7a_100000757476_100000210682 [0,2,0,0,0,0|1,0,1]=4 9613 B14R0.394 CCOCCCOCCCCCC(C)C 7a_100011995859_100012232248 [0,2,0,0,0,0|1,0,1]=4 9614 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,2,0,0,0,0|1,0,0]=3 9615 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,2,0,0,0,0|1,0,0]=3 9616 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,2,0,0,0,0|1,0,0]=3 9617 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,2,0,0,0,0|1,0,0]=3 9618 B14R0.394 CCOCCCOCCCCO[N+](=O)[O-] 34a_100000757476_100015694321 [0,2,0,0,0,0|2,0,0]=4 9619 B14R0.394 CCOCCCOCCCCO[N+](=O)[O-] 7a_100000757476_100015694321 [0,2,0,0,0,0|2,0,0]=4 9620 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,2,0,0,0,0|1,1,0]=4 9621 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,2,0,0,0,0|1,1,0]=4 9622 B14R0.394 CCOCCCOCOCCOC(=O)C 34a_100000757476_100000076355 [0,2,0,0,0,0|2,0,0]=4 9623 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,2,0,0,0,0|2,0,0]=4 9624 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,2,0,0,0,0|2,0,0]=4 9625 B14R0.394 CCOCCCSCCCCCC(C)C 62a_100000210682_100012232248 [0,2,0,0,0,0|1,0,1]=4 9626 B14R0.394 CCOCCCSCCCCCC(C)C 62a_100012232248_100000210682 [0,2,0,0,0,0|1,0,1]=4 9627 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,2,0,0,0,0|1,0,0]=3 9628 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,2,0,0,0,0|1,0,0]=3 9629 B14R0.394 CCOCCCSCCCCO[N+](=O)[O-] 62a_100012232248_100015694321 [0,2,0,0,0,0|2,0,0]=4 9630 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,2,0,0,0,0|1,1,0]=4 9631 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,2,0,0,0,0|1,1,0]=4 9632 B14R0.394 CCOCCCSCOCCOC(=O)C 62a_100000076355_100012232248 [0,2,0,0,0,0|2,0,0]=4 9633 B14R0.394 CCOCCCSCOCCOC(=O)C 62a_100012232248_100000076355 [0,2,0,0,0,0|2,0,0]=4 9634 B14R0.394 CCOCCNCCCCCCC(C)C 2230a_100000211014_100011215890 [0,2,0,0,0,0|1,0,1]=4 9635 B14R0.394 CCOCCNCCCCCCC(C)C 34a_100000211014_100000210147 [0,2,0,0,0,0|1,0,1]=4 9636 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,2,0,0,0,0|2,0,0]=4 9637 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,2,0,0,0,0|2,0,0]=4 9638 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,2,0,0,0,0|1,0,0]=3 9639 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,2,0,0,0,0|1,0,0]=3 9640 B14R0.394 CCOCCNCCOCCOC(=O)C 2230a_102516460346_200000083610 [0,2,0,0,0,0|2,0,0]=4 9641 B14R0.394 CCOCCNCCOCCOC(=O)C 34a_102516460346_200000083610 [0,2,0,0,0,0|2,0,0]=4 9642 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,2,0,0,0,0|1,0,0]=3 9643 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,2,0,0,0,0|1,0,0]=3 9644 B14R0.394 CCOCCOCCNCCOC(=O)C 34a_100102712874_100009814007 [0,2,0,0,0,0|2,0,0]=4 9645 B14R0.394 CCOCCOCCNCCOC(=O)N 34a_100102712874_200011214921 [0,2,0,0,0,0|2,0,0]=4 9646 B14R0.394 CCOCCOCCOCCOC(=O)C 34a_100000210136_200000083610 [0,2,0,0,0,0|2,0,0]=4 9647 B14R0.394 CCOCCOCCOCCOC(=O)C 34a_100000210240_100009814007 [0,2,0,0,0,0|2,0,0]=4 9648 B14R0.394 CCOCCOCCOCCOC(=O)C 7a_100000210136_200000083610 [0,2,0,0,0,0|2,0,0]=4 9649 B14R0.394 CCOCCOCCOCCOC(=O)C 7a_100000210240_100009814007 [0,2,0,0,0,0|2,0,0]=4 9650 B14R0.394 CCOCCOCCOCCOC(=O)N 34a_100000210240_200011214921 [0,2,0,0,0,0|2,0,0]=4 9651 B14R0.394 CCOCCOCCOCCOC(=O)N 7a_100000210240_200011214921 [0,2,0,0,0,0|2,0,0]=4 9652 B14R0.394 CCOCCOCCOCCOC(=O)N 7a_100000766696_100011211534 [0,2,0,0,0,0|2,0,0]=4 9653 B14R0.394 CCOCCOCCSCCOC(=O)C 62a_100009814007_100011211534 [0,2,0,0,0,0|2,0,0]=4 9654 B14R0.394 CCOCCOCCSCCOC(=O)C 62a_100011211534_100009814007 [0,2,0,0,0,0|2,0,0]=4 9655 B14R0.394 CCOCCOCCSCCOC(=O)N 62a_100011211534_200011214921 [0,2,0,0,0,0|2,0,0]=4 9656 B14R0.394 CCOCCOCCSCCOC(=O)N 62a_200011214921_100011211534 [0,2,0,0,0,0|2,0,0]=4 9657 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,2,0,0,0,0|1,0,0]=3 9658 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,2,0,0,0,0|1,0,0]=3 9659 B14R0.394 CCOCCSCCOCCOC(=O)C 62a_100000210147_200000083610 [0,2,0,0,0,0|2,0,0]=4 9660 B14R0.394 CCOCCSCCOCCOC(=O)C 62a_200000083610_100011215890 [0,2,0,0,0,0|2,0,0]=4 9661 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,2,0,0,0,0|2,0,0]=4 9662 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,2,0,0,0,0|2,0,0]=4 9663 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,2,0,0,0,0|1,0,0]=3 9664 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,2,0,0,0,0|1,0,0]=3 9665 B14R0.394 CCSCCCOCCCCO[N+](=O)[O-] 34a_100011216438_100015694321 [0,2,0,0,0,0|2,0,0]=4 9666 B14R0.394 CCSCCCOCCCCO[N+](=O)[O-] 7a_100011216438_100015694321 [0,2,0,0,0,0|2,0,0]=4 9667 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,2,0,0,0,0|1,1,0]=4 9668 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,2,0,0,0,0|1,1,0]=4 9669 B14R0.394 CCSCCCOCOCCOC(=O)C 34a_100011216438_100000076355 [0,2,0,0,0,0|2,0,0]=4 9670 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 9671 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 9672 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,2,0,0,0,0|1,0,0]=3 9673 B14R0.394 CCSCCNCCOCCOC(=O)C 2230a_100000106463_200000083610 [0,2,0,0,0,0|2,0,0]=4 9674 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,2,0,0,0,0|1,0,0]=3 9675 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,2,0,0,0,0|1,0,0]=3 9676 B14R0.394 CCSCCOCCOCCOC(=O)C 34a_100000212035_200000083610 [0,2,0,0,0,0|2,0,0]=4 9677 B14R0.394 CCSCCOCCOCCOC(=O)C 7a_100000212035_200000083610 [0,2,0,0,0,0|2,0,0]=4 9678 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,2,0,0,0,0|1,0,0]=3 9679 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,2,0,0,0,0|1,0,0]=3 9680 B14R0.394 CCSCCSCCOCCOC(=O)C 62a_100000757381_200000083610 [0,2,0,0,0,0|2,0,0]=4 9681 B14R0.394 CCSCCSCCOCCOC(=O)C 62a_200000083610_100000757381 [0,2,0,0,0,0|2,0,0]=4 9682 B14R0.394 CN(C)CCCCSCCCCCC=O 62a_100000139337_100000690147 [0,2,0,0,0,0|2,0,0]=4 9683 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,2,0,0,0,0|1,0,0]=3 9684 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,2,0,0,0,0|1,0,0]=3 9685 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,2,0,0,0,0|1,0,0]=3 9686 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,2,0,0,0,0|2,0,0]=4 9687 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,2,0,0,0,0|1,0,0]=3 9688 B14R0.394 CNCCCCCOCCCOC(=S)C 34a_100000722520_200135323944 [0,2,0,0,0,0|1,1,0]=4 9689 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,2,0,0,0,0|1,1,0]=4 9690 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,2,0,0,0,0|2,0,0]=4 9691 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,2,0,0,0,0|1,0,0]=3 9692 B14R0.394 CNCCCOCCOCCOC(=O)C 34a_100000213112_200000083610 [0,2,0,0,0,0|2,0,0]=4 9693 B14R0.394 CNCCOCCOCCCOC(=O)C 34a_100000228057_100000042594 [0,2,0,0,0,0|2,0,0]=4 9694 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,2,0,0,0,0|1,0,0]=3 9695 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,2,0,0,0,0|2,0,0]=4 9696 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,2,0,0,0,0|2,0,0]=4 9697 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,2,0,0,0,0|2,0,0]=4 9698 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,2,0,0,0,0|2,0,0]=4 9699 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,2,0,0,0,0|2,0,0]=4 9700 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,2,0,0,0,0|2,0,0]=4 9701 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,2,0,0,0,0|2,0,0]=4 9702 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,2,0,0,0,0|2,0,0]=4 9703 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,2,0,0,0,0|2,0,0]=4 9704 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,2,0,0,0,0|2,0,0]=4 9705 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,2,0,0,0,0|2,0,0]=4 9706 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,2,0,0,0,0|2,0,0]=4 9707 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,2,0,0,0,0|2,0,0]=4 9708 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,2,0,0,0,0|1,0,0]=3 9709 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,2,0,0,0,0|1,0,0]=3 9710 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,2,0,0,0,0|1,0,0]=3 9711 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,2,0,0,0,0|1,0,0]=3 9712 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,2,0,0,0,0|1,0,0]=3 9713 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,2,0,0,0,0|2,0,0]=4 9714 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,2,0,0,0,0|2,0,0]=4 9715 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,2,0,0,0,0|2,0,0]=4 9716 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,2,0,0,0,0|2,0,0]=4 9717 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,2,0,0,0,0|2,0,0]=4 9718 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,2,0,0,0,0|2,0,0]=4 9719 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,2,0,0,0,0|2,0,0]=4 9720 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,2,0,0,0,0|2,0,0]=4 9721 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,2,0,0,0,0|1,0,0]=3 9722 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,2,0,0,0,0|1,0,0]=3 9723 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,2,0,0,0,0|1,0,0]=3 9724 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,2,0,0,0,0|1,0,0]=3 9725 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,2,0,0,0,0|2,0,0]=4 9726 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,2,0,0,0,0|1,0,0]=3 9727 B14R0.394 COCCCCCNCCCOC(=S)C 2230a_100000747528_200135323944 [0,2,0,0,0,0|1,1,0]=4 9728 B14R0.394 COCCCCCNCCCOC(=S)C 34a_100000747528_200135323944 [0,2,0,0,0,0|1,1,0]=4 9729 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,2,0,0,0,0|1,1,0]=4 9730 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,2,0,0,0,0|1,1,0]=4 9731 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 9732 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 9733 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,2,0,0,0,0|2,0,0]=4 9734 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,2,0,0,0,0|2,0,0]=4 9735 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,2,0,0,0,0|2,0,0]=4 9736 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,2,0,0,0,0|2,0,0]=4 9737 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,2,0,0,0,0|2,0,0]=4 9738 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,2,0,0,0,0|2,0,0]=4 9739 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,2,0,0,0,0|1,0,0]=3 9740 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,2,0,0,0,0|1,0,0]=3 9741 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,2,0,0,0,0|1,0,0]=3 9742 B14R0.394 COCCCCOCCCCO[N+](=O)[O-] 34a_100000740925_100015694321 [0,2,0,0,0,0|2,0,0]=4 9743 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,2,0,0,0,0|1,1,0]=4 9744 B14R0.394 COCCCCOCOCCOC(=O)C 34a_100000740925_100000076355 [0,2,0,0,0,0|2,0,0]=4 9745 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,2,0,0,0,0|2,0,0]=4 9746 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,2,0,0,0,0|2,0,0]=4 9747 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,2,0,0,0,0|1,0,0]=3 9748 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,2,0,0,0,0|1,0,0]=3 9749 B14R0.394 COCCCCSCCCCO[N+](=O)[O-] 62a_100000730899_100015694321 [0,2,0,0,0,0|2,0,0]=4 9750 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,2,0,0,0,0|1,1,0]=4 9751 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,2,0,0,0,0|1,1,0]=4 9752 B14R0.394 COCCCCSCOCCOC(=O)C 62a_100000076355_100000730899 [0,2,0,0,0,0|2,0,0]=4 9753 B14R0.394 COCCCCSCOCCOC(=O)C 62a_100000730899_100000076355 [0,2,0,0,0,0|2,0,0]=4 9754 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 9755 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 9756 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,2,0,0,0,0|1,0,0]=3 9757 B14R0.394 COCCCNCCOCCOC(=O)C 34a_100150723488_200000083610 [0,2,0,0,0,0|2,0,0]=4 9758 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,2,0,0,0,0|1,0,0]=3 9759 B14R0.394 COCCCOCCCOCOC(=O)C 34a_200011215475_100009813279 [0,2,0,0,0,0|2,0,0]=4 9760 B14R0.394 COCCCOCCOCCOC(=O)C 34a_100000740835_200000083610 [0,2,0,0,0,0|2,0,0]=4 9761 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,2,0,0,0,0|1,0,0]=3 9762 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,2,0,0,0,0|1,0,0]=3 9763 B14R0.394 COCCCSCCOCCOC(=O)C 62a_100000709357_200000083610 [0,2,0,0,0,0|2,0,0]=4 9764 B14R0.394 COCCCSCCOCCOC(=O)C 62a_200000083610_100000709357 [0,2,0,0,0,0|2,0,0]=4 9765 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 9766 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 9767 B14R0.394 COCCOCCCNCCOC(=O)C 34a_100000206027_100009814007 [0,2,0,0,0,0|2,0,0]=4 9768 B14R0.394 COCCOCCCNCCOC(=O)N 34a_100000206027_200011214921 [0,2,0,0,0,0|2,0,0]=4 9769 B14R0.394 COCCOCCCOCCOC(=O)N 7a_100000766696_100011216529 [0,2,0,0,0,0|2,0,0]=4 9770 B14R0.394 COCCOCCCSCCOC(=O)C 62a_100009814007_100011216529 [0,2,0,0,0,0|2,0,0]=4 9771 B14R0.394 COCCOCCCSCCOC(=O)C 62a_100011216529_100009814007 [0,2,0,0,0,0|2,0,0]=4 9772 B14R0.394 COCCOCCCSCCOC(=O)N 62a_100011216529_200011214921 [0,2,0,0,0,0|2,0,0]=4 9773 B14R0.394 COCCOCCCSCCOC(=O)N 62a_200011214921_100011216529 [0,2,0,0,0,0|2,0,0]=4 9774 B14R0.394 COCCOCCNCCCOC(=O)C 34a_100000745349_100000042594 [0,2,0,0,0,0|2,0,0]=4 9775 B14R0.394 COCCOCCOCCCOC(=O)C 34a_100011215163_100000042594 [0,2,0,0,0,0|2,0,0]=4 9776 B14R0.394 COCCOCCOCCCOC(=O)C 7a_100011215163_100000042594 [0,2,0,0,0,0|2,0,0]=4 9777 B14R0.394 COCCOCCSCCCOC(=O)C 62a_100000042594_100000695917 [0,2,0,0,0,0|2,0,0]=4 9778 B14R0.394 COCCOCCSCCCOC(=O)C 62a_100000695917_100000042594 [0,2,0,0,0,0|2,0,0]=4 9779 B14R0.394 COCCOCSCCCCOC(=O)C 62a_100000033659_100000231047 [0,2,0,0,0,0|2,0,0]=4 9780 B14R0.394 COCCOCSCCCCOC(=O)C 62a_100000231047_100000033659 [0,2,0,0,0,0|2,0,0]=4 9781 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,2,0,0,0,0|1,0,0]=3 9782 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,2,0,0,0,0|1,0,0]=3 9783 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,2,0,0,0,0|2,0,0]=4 9784 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,2,0,0,0,0|2,0,0]=4 9785 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,2,0,0,0,0|1,0,0]=3 9786 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,2,0,0,0,0|1,0,0]=3 9787 B14R0.394 CSCCCCOCCCCO[N+](=O)[O-] 34a_100011217163_100015694321 [0,2,0,0,0,0|2,0,0]=4 9788 B14R0.394 CSCCCCOCCCCO[N+](=O)[O-] 7a_100011217163_100015694321 [0,2,0,0,0,0|2,0,0]=4 9789 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,2,0,0,0,0|1,1,0]=4 9790 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,2,0,0,0,0|1,1,0]=4 9791 B14R0.394 CSCCCCOCOCCOC(=O)C 34a_100011217163_100000076355 [0,2,0,0,0,0|2,0,0]=4 9792 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,2,0,0,0,0|1,0,0]=3 9793 B14R0.394 CSCCCNCCOCCOC(=O)C 2230a_100000749238_200000083610 [0,2,0,0,0,0|2,0,0]=4 9794 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,2,0,0,0,0|1,0,0]=3 9795 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,2,0,0,0,0|1,0,0]=3 9796 B14R0.394 CSCCCOCCOCCOC(=O)C 34a_100000690336_200000083610 [0,2,0,0,0,0|2,0,0]=4 9797 B14R0.394 CSCCCOCCOCCOC(=O)C 7a_100000690336_200000083610 [0,2,0,0,0,0|2,0,0]=4 9798 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,2,0,0,0,0|2,0,0]=4 9799 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,2,0,0,0,0|2,0,0]=4 9800 B14R0.394 N#CCCCCCCOCCOC(=O)N 7a_100000766696_100009813337 [0,2,0,0,0,0|1,0,1]=4 9801 B14R0.394 N#CCCCCCCSCCOC(=O)N 62a_100009813337_200011214921 [0,2,0,0,0,0|1,0,1]=4 9802 B14R0.394 N#CCCCCCCSCCOC(=O)N 62a_200011214921_100009813337 [0,2,0,0,0,0|1,0,1]=4 9803 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,2,0,0,0,0|2,0,0]=4 9804 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,2,0,0,0,0|2,0,0]=4 9805 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,2,0,0,0,0|2,0,0]=4 9806 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,2,0,0,0,0|2,0,0]=4 9807 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,2,0,0,0,0|2,0,0]=4 9808 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,2,0,0,0,0|2,0,0]=4 9809 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,2,0,0,0,0|2,0,0]=4 9810 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,2,0,0,0,0|2,0,0]=4 9811 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,2,0,0,0,0|2,0,0]=4 9812 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,2,0,0,0,0|2,0,0]=4 9813 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,2,0,0,0,0|2,0,0]=4 9814 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,2,0,0,0,0|2,0,0]=4 9815 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,2,0,0,0,0|2,0,0]=4 9816 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,2,0,0,0,0|2,0,0]=4 9817 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,2,0,0,0,0|2,0,0]=4 9818 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,2,0,0,0,0|2,0,0]=4 9819 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,2,0,0,0,0|2,0,0]=4 9820 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,2,0,0,0,0|2,0,0]=4 9821 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,2,0,0,0,0|2,0,0]=4 9822 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,2,0,0,0,0|2,0,0]=4 9823 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,2,0,0,0,0|2,0,0]=4 9824 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,2,0,0,0,0|2,0,0]=4 9825 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,2,0,0,0,0|2,0,0]=4 9826 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,2,0,0,0,0|2,0,0]=4 9827 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,2,0,0,0,0|2,0,0]=4 9828 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,2,0,0,0,0|2,0,0]=4 9829 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,2,0,0,0,0|2,0,0]=4 9830 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,2,0,0,0,0|2,0,0]=4 9831 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,2,0,0,0,0|2,0,0]=4 9832 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,2,0,0,0,0|2,0,0]=4 9833 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,2,0,0,0,0|2,0,0]=4 9834 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,2,0,0,0,0|2,0,0]=4 9835 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,2,0,0,0,0|2,0,0]=4 9836 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,2,0,0,0,0|2,0,0]=4 9837 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,2,0,0,0,0|2,0,0]=4 9838 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,2,0,0,0,0|2,0,0]=4 9839 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,2,0,0,0,0|2,0,0]=4 9840 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,2,0,0,0,0|2,0,0]=4 9841 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,2,0,0,0,0|2,0,0]=4 9842 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,2,0,0,0,0|2,0,0]=4 9843 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,2,0,0,0,0|2,0,0]=4 9844 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 9845 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 9846 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 9847 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 9848 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 9849 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 9850 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 9851 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 9852 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 9853 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 9854 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 9855 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 9856 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,2,0,0,0,0|2,0,0]=4 9857 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,2,0,0,0,0|2,0,0]=4 9858 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,2,0,0,0,0|2,0,0]=4 9859 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 9860 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,2,0,0,0,0|1,1,0]=4 9861 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,2,0,0,0,0|1,1,0]=4 9862 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,2,0,0,0,0|2,0,0]=4 9863 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,2,0,0,0,0|2,0,0]=4 9864 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 9865 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,2,0,0,0,0|2,0,0]=4 9866 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 9867 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,2,0,0,0,0|2,0,0]=4 9868 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,2,0,0,0,0|1,0,0]=3 9869 B14R0.394 NC(=O)OCCNCCCOCCCO 34a_100011310245_200011214921 [0,2,0,0,0,0|2,0,0]=4 9870 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,2,0,0,0,0|1,0,0]=3 9871 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,2,0,0,0,0|1,0,0]=3 9872 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,2,0,0,0,0|1,0,0]=3 9873 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,2,0,0,0,0|1,0,0]=3 9874 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,2,0,0,0,0|1,0,0]=3 9875 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,2,0,0,0,0|1,0,0]=3 9876 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,2,0,0,0,0|1,0,0]=3 9877 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,2,0,0,0,0|1,0,1]=4 9878 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,2,0,0,0,0|2,0,0]=4 9879 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,2,0,0,0,0|2,0,0]=4 9880 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,2,0,0,0,0|1,0,0]=3 9881 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 9882 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,2,0,0,0,0|2,0,0]=4 9883 B14R0.394 NCCCCCOCCCCO[N+](=O)[O-] 34a_100000762737_100015694321 [0,2,0,0,0,0|2,0,0]=4 9884 B14R0.394 NCCCOCCCOCCOC(=O)N 34a_100011310245_200011214921 [0,2,0,0,0,0|2,0,0]=4 9885 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,2,0,0,0,0|2,0,0]=4 9886 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,2,0,0,0,0|2,0,0]=4 9887 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,2,0,0,0,0|2,0,0]=4 9888 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,2,0,0,0,0|2,0,0]=4 9889 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,2,0,0,0,0|2,0,0]=4 9890 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,2,0,0,0,0|2,0,0]=4 9891 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,2,0,0,0,0|2,0,0]=4 9892 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,2,0,0,0,0|1,0,0]=3 9893 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,2,0,0,0,0|1,0,0]=3 9894 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,2,0,0,0,0|1,1,0]=4 9895 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,2,0,0,0,0|1,1,0]=4 9896 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,2,0,0,0,0|1,0,1]=4 9897 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,2,0,0,0,0|1,0,1]=4 9898 B14R0.394 O=[N+]([O-])OCCCCNCCCCCO 34a_100000762737_100015694321 [0,2,0,0,0,0|2,0,0]=4 9899 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 34a_100000746331_100015694321 [0,2,0,0,0,0|2,0,0]=4 9900 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 7a_100000746331_100015694321 [0,2,0,0,0,0|2,0,0]=4 9901 B14R0.394 O=[N+]([O-])OCCCCOCCCCCCl 34a_100000746330_100015694321 [0,2,0,0,0,0|2,0,0]=4 9902 B14R0.394 O=[N+]([O-])OCCCCOCCCCCCl 7a_100000746330_100015694321 [0,2,0,0,0,0|2,0,0]=4 9903 B14R0.394 O=[N+]([O-])OCCCCOCCCCCI 34a_200012148887_100015694321 [0,2,0,0,0,0|2,0,0]=4 9904 B14R0.394 O=[N+]([O-])OCCCCOCCCCCI 7a_200012148887_100015694321 [0,2,0,0,0,0|2,0,0]=4 9905 B14R0.394 O=[N+]([O-])OCCCCSCCCCCF 62a_100000729378_100015694321 [0,2,0,0,0,0|2,0,0]=4 9906 B14R0.394 O=[N+]([O-])OCCCCSCCCCCO 62a_100000746330_100015694321 [0,2,0,0,0,0|2,0,0]=4 9907 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,2,0,0,0,0|1,0,0]=3 9908 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,2,0,0,0,0|1,0,0]=3 9909 B14R0.2224 CC(=O)OCCCC(=O)CCCCCO 1458a_100102619762_100000042594 [0,2,0,0,0,0|1,0,1]=4 9910 B14R0.2224 CC(=O)OCCCN(C)CCCCCO 269982a_100000722520_100000042594 [0,2,0,0,0,0|2,0,0]=4 9911 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,2,0,0,0,0|1,0,1]=4 9912 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,2,0,0,0,0|1,0,1]=4 9913 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,2,0,0,0,0|0,0,1]=3 9914 B14R0.2224 CCCCCCC(=O)CCCOC(=S)C 1458a_100102632555_200135323944 [0,2,0,0,0,0|0,1,1]=4 9915 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,2,0,0,0,0|0,1,1]=4 9916 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100102632555 [0,2,0,0,0,0|1,0,1]=4 9917 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100102632555 [0,2,0,0,0,0|1,0,1]=4 9918 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100102632555 [0,2,0,0,0,0|1,0,1]=4 9919 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,2,0,0,0,0|2,0,0]=4 9920 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,2,0,0,0,0|2,0,0]=4 9921 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,2,0,0,0,0|2,0,0]=4 9922 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,2,0,0,0,0|2,0,0]=4 9923 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,2,0,0,0,0|2,0,0]=4 9924 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,2,0,0,0,0|2,0,0]=4 9925 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,2,0,0,0,0|2,0,0]=4 9926 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,2,0,0,0,0|2,0,0]=4 9927 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,2,0,0,0,0|2,0,0]=4 9928 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,2,0,0,0,0|2,0,0]=4 9929 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,2,0,0,0,0|1,0,0]=3 9930 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,2,0,0,0,0|1,0,0]=3 9931 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,2,0,0,0,0|2,0,0]=4 9932 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,2,0,0,0,0|2,0,0]=4 9933 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,2,0,0,0,0|2,0,0]=4 9934 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,2,0,0,0,0|2,0,0]=4 9935 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,2,0,0,0,0|2,0,0]=4 9936 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,2,0,0,0,0|2,0,0]=4 9937 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,2,0,0,0,0|2,0,0]=4 9938 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,2,0,0,0,0|2,0,0]=4 9939 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,2,0,0,0,0|2,0,0]=4 9940 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,2,0,0,0,0|2,0,0]=4 9941 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,2,0,0,0,0|1,0,0]=3 9942 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,2,0,0,0,0|1,0,0]=3 9943 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,2,0,0,0,0|1,0,0]=3 9944 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,2,0,0,0,0|1,0,0]=3 9945 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,2,0,0,0,0|1,0,0]=3 9946 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,2,0,0,0,0|2,0,0]=4 9947 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,2,0,0,0,0|2,0,0]=4 9948 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,2,0,0,0,0|2,0,0]=4 9949 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,2,0,0,0,0|2,0,0]=4 9950 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,2,0,0,0,0|2,0,0]=4 9951 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,2,0,0,0,0|2,0,0]=4 9952 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,2,0,0,0,0|2,0,0]=4 9953 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,2,0,0,0,0|2,0,0]=4 9954 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,2,0,0,0,0|1,0,0]=3 9955 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,2,0,0,0,0|1,0,0]=3 9956 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,2,0,0,0,0|1,0,0]=3 9957 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,2,0,0,0,0|1,0,0]=3 9958 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,2,0,0,0,0|2,0,0]=4 9959 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,2,0,0,0,0|1,0,0]=3 9960 B14R0.2224 CCCCCCN(C)CCCOC(=S)C 2230a_106256046315_200135323944 [0,2,0,0,0,0|1,1,0]=4 9961 B14R0.2224 CCCCCCN(C)CCCOC(=S)C 269982a_106256046315_200135323944 [0,2,0,0,0,0|1,1,0]=4 9962 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,2,0,0,0,0|1,1,0]=4 9963 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,2,0,0,0,0|1,1,0]=4 9964 B14R0.2224 CCCCOCC(=O)CCCOC(=O)C 1458a_100000757543_100000042594 [0,2,0,0,0,0|1,0,1]=4 9965 B14R0.2224 CCCCOCC(C)OCCOC(=O)C 34a_100011217071_100009814007 [0,2,0,0,0,0|2,0,0]=4 9966 B14R0.2224 CCCCOCC(C)OCCOC(=O)C 7a_100011217071_100009814007 [0,2,0,0,0,0|2,0,0]=4 9967 B14R0.2224 CCCCOCC(C)OCCOC(=O)N 34a_100011217071_200011214921 [0,2,0,0,0,0|2,0,0]=4 9968 B14R0.2224 CCCCOCC(C)OCCOC(=O)N 7a_100011217071_200011214921 [0,2,0,0,0,0|2,0,0]=4 9969 B14R0.2224 CCCCSCC(=O)CCCOC(=O)C 1458a_100000191162_100000042594 [0,2,0,0,0,0|1,0,1]=4 9970 B14R0.80 C#CC(CCCC)OCCCCCC=O 7a_200011217967_100000139337 [0,2,0,0,0,0|2,0,0]=4 9971 B14R0.80 C=CC(CCCC)OCCCCCC=O 7a_200011215037_100000139337 [0,2,0,0,0,0|2,0,0]=4 9972 B14R0.80 C=COCCCCOC(CC)CCCC 34a_100000031558_200011216223 [0,2,0,0,0,0|2,0,0]=4 9973 B14R0.80 C=COCCCCOC(CC)CCCC 7a_100000031558_200011216223 [0,2,0,0,0,0|2,0,0]=4 9974 B14R0.80 C=COCCCNCC(CC)CCCC 2230a_100000210767_100000211942 [0,2,0,0,0,0|2,0,0]=4 9975 B14R0.80 C=COCCCNCC(CC)CCCC 269862a_100000210767_100011219736 [0,2,0,0,0,0|2,0,0]=4 9976 B14R0.80 C=COCCCNCC(CC)CCCC 270004a_100000210767_100011219736 [0,2,0,0,0,0|2,0,0]=4 9977 B14R0.80 C=COCCCNCC(CC)CCCC 34a_100000210767_100000211942 [0,2,0,0,0,0|2,0,0]=4 9978 B14R0.80 CCCCC(CC)CCCCSCC=O 62a_200012094884_200015260668 [0,2,0,0,0,0|2,0,0]=4 9979 B14R0.80 CCCCC(CC)CCCCSCC=O 62a_200015260668_200012094884 [0,2,0,0,0,0|2,0,0]=4 9980 B14R0.80 CCCCC(CC)CNCCCCC=O 2230a_100000209976_100000139335 [0,2,0,0,0,0|2,0,0]=4 9981 B14R0.80 CCCCC(CC)COCCCCC=O 7a_100000210273_100000139335 [0,2,0,0,0,0|2,0,0]=4 9982 B14R0.80 CCCCC(CC)CSCCCCC=O 62a_100000139335_100000211942 [0,2,0,0,0,0|2,0,0]=4 9983 B14R0.80 CCCCC(CC)CSCCCCC=O 62a_100000211942_100000139335 [0,2,0,0,0,0|2,0,0]=4 9984 B14R0.80 CCCCC(CC)OCCCCCC=O 7a_100011215227_100000139337 [0,2,0,0,0,0|2,0,0]=4 9985 B14R0.80 CCCCC(CC)SCCCCCC=O 62a_100000139337_200011216223 [0,2,0,0,0,0|2,0,0]=4 9986 B14R0.80 CCCCC(CC)SCCCCCC=O 62a_200011216223_100000139337 [0,2,0,0,0,0|2,0,0]=4 9987 B14R0.80 CCCCCCCCC(CC)OCC=O 34a_200011216270_200009817547 [0,2,0,0,0,0|2,0,0]=4 9988 B14R0.80 CCCCCCCCC(CC)OCC=O 7a_200011216270_200015260668 [0,2,0,0,0,0|2,0,0]=4 9989 B14R0.80 CCCC[C@@H](CO)NCCCCCC=O 2230a_100011934283_100000139337 [0,2,0,0,0,0|2,0,0]=4 9990 B14R0.82 CCC(C)CC(C)NCCCCCC=O 2230a_100000763565_100000139337 [0,2,0,0,0,0|2,0,0]=4 9991 B14R0.179 C#CCOCC(C)CCCCCCCC 34a_200012125181_100000184674 [0,2,0,0,0,0|1,0,1]=4 9992 B14R0.179 C#CCOCC(C)CCCCCCCC 7a_200012125181_100000038162 [0,2,0,0,0,0|1,0,1]=4 9993 B14R0.179 C/C=C/COC(C)CCCCCCCC 34a_100000210740_100102629194 [0,2,0,0,0,0|2,0,0]=4 9994 B14R0.179 C/C=C/COC(C)CCCCCCCC 7a_100000210740_100102629194 [0,2,0,0,0,0|2,0,0]=4 9995 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000210188_100000757094 [0,2,0,0,0,0|2,0,0]=4 9996 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000766728_100000210759 [0,2,0,0,0,0|2,0,0]=4 9997 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [0,2,0,0,0,0|2,0,0]=4 9998 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [0,2,0,0,0,0|2,0,0]=4 9999 B14R0.179 C=CCCCCCCN(C)CCCCC 2230a_100000223495_100011215473 [0,2,0,0,0,0|2,0,0]=4 10000 B14R0.179 C=CCCCCCCN(C)CCCCC 269982a_100000223495_100011215473 [0,2,0,0,0,0|2,0,0]=4 10001 B14R0.179 C=CCCCCCNC(C)CCCCC 2230a_100000211957_100000700193 [0,2,0,0,0,0|2,0,0]=4 10002 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011215632_100000700193 [0,2,0,0,0,0|2,0,0]=4 10003 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011216702_200011218191 [0,2,0,0,0,0|2,0,0]=4 10004 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011215632_100000700193 [0,2,0,0,0,0|2,0,0]=4 10005 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011216702_200011218191 [0,2,0,0,0,0|2,0,0]=4 10006 B14R0.179 C=CCCCN(C)CCCCCCCC 2230a_100000207567_100011713584 [0,2,0,0,0,0|2,0,0]=4 10007 B14R0.179 C=CCCCN(C)CCCCCCCC 269982a_100000207567_100000757094 [0,2,0,0,0,0|2,0,0]=4 10008 B14R0.179 C=CCCNC(C)CCCCCCCC 270004a_100015191253_100011216694 [0,2,0,0,0,0|2,0,0]=4 10009 B14R0.179 C=CCCOC(C)CCCCCCCC 34a_100000210740_100000754431 [0,2,0,0,0,0|2,0,0]=4 10010 B14R0.179 C=CCCOC(C)CCCCCCCC 7a_100000210740_100000754431 [0,2,0,0,0,0|2,0,0]=4 10011 B14R0.179 C=CCNCC(C)CCCCCCCC 270004a_100020586998_100011995885 [0,2,0,0,0,0|2,0,0]=4 10012 B14R0.179 C=CCOCC(C)CCCCCCCC 34a_200012125181_100015514636 [0,2,0,0,0,0|1,0,0]=3 10013 B14R0.179 C=CCOCC(C)CCCCCCCC 7a_200012125181_100015514636 [0,2,0,0,0,0|1,0,0]=3 10014 B14R0.179 C=COCCC(=O)CCCCCCCC 1458a_100000210188_100000039644 [0,2,0,0,0,0|1,0,0]=3 10015 B14R0.179 C=COCCC(=O)CCCCCCCO 1458a_100011219782_100000039644 [0,2,0,0,0,0|1,0,1]=4 10016 B14R0.179 C=COCCCCOC(C)CCCCC 34a_100000031558_200011218191 [0,2,0,0,0,0|1,0,0]=3 10017 B14R0.179 C=COCCCCOC(C)CCCCC 7a_100000031558_200011218191 [0,2,0,0,0,0|1,0,0]=3 10018 B14R0.179 C=COCCCNCC(=O)CCCCC 2230a_100000210767_200012276598 [0,2,0,0,0,0|1,0,1]=4 10019 B14R0.179 C=COCCCNCC(=O)CCCCC 34a_100000210767_200012276598 [0,2,0,0,0,0|1,0,1]=4 10020 B14R0.179 C=COCCN(C)CCCCCCCC 2230a_100000207567_100000039644 [0,2,0,0,0,0|1,0,0]=3 10021 B14R0.179 C=COCCN(C)CCCCCCCC 269982a_100000207567_100000039644 [0,2,0,0,0,0|1,0,0]=3 10022 B14R0.179 CC=CCOC(C)CCCCCCCC 34a_100000210740_100000070051 [0,2,0,0,0,0|2,0,0]=4 10023 B14R0.179 CC=CCOC(C)CCCCCCCC 7a_100000210740_100000070051 [0,2,0,0,0,0|2,0,0]=4 10024 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_100000139335_200012276598 [0,2,0,0,0,0|1,0,1]=4 10025 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_200012276598_100000139335 [0,2,0,0,0,0|1,0,1]=4 10026 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [0,2,0,0,0,0|1,0,0]=3 10027 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [0,2,0,0,0,0|1,0,0]=3 10028 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [0,2,0,0,0,0|1,0,0]=3 10029 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [0,2,0,0,0,0|1,0,0]=3 10030 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000210188_100011215890 [0,2,0,0,0,0|1,0,1]=4 10031 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210759 [0,2,0,0,0,0|1,0,1]=4 10032 B14R0.179 CCCCCCCCC(C)COCC#N 7a_200012125181_100011215382 [0,2,0,0,0,0|1,0,1]=4 10033 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [0,2,0,0,0,0|0,0,0]=2 10034 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [0,2,0,0,0,0|0,0,0]=2 10035 B14R0.179 CCCCCCCCC(C)COCCC 34a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 10036 B14R0.179 CCCCCCCCC(C)COCCC 7a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 10037 B14R0.179 CCCCCCCCC(C)COCCF 34a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 10038 B14R0.179 CCCCCCCCC(C)COCCF 7a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 10039 B14R0.179 CCCCCCCCC(C)COCCO 34a_200012125181_100000211926 [0,2,0,0,0,0|0,0,2]=4 10040 B14R0.179 CCCCCCCCC(C)COCCO 7a_200012125181_100000211926 [0,2,0,0,0,0|0,0,2]=4 10041 B14R0.179 CCCCCCCCC(C)COCSC 34a_200012125181_100011218213 [0,2,0,0,0,0|0,1,1]=4 10042 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [0,2,0,0,0,0|1,0,0]=3 10043 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [0,2,0,0,0,0|1,0,0]=3 10044 B14R0.179 CCCCCCCCN(C)CCOCC 2230a_100000207567_100011215890 [0,2,0,0,0,0|1,0,1]=4 10045 B14R0.179 CCCCCCCCN(C)CCOCC 269982a_100000207567_100011215890 [0,2,0,0,0,0|1,0,1]=4 10046 B14R0.179 CCCCCCCNC(C)CCOCC 270004a_100000229938_200011216536 [0,2,0,0,0,0|1,0,1]=4 10047 B14R0.179 COCCCC(C)OCCCCCC=O 7a_200011539412_100000139337 [0,2,0,0,0,0|2,0,0]=4 10048 B14R0.529 C=COCCC(=O)CCC(C)CCCC 1458a_100000033779_100000039644 [0,2,0,0,0,0|1,0,1]=4 10049 B14R0.2489 CCCCC(C)(C)COCCCCC=O 7a_200011995781_100000139335 [0,2,0,0,0,0|2,0,0]=4 10050 B14R0.2489 CCCCC(C)(C)OCCCCCC=O 7a_100011219641_100000139337 [0,2,0,0,0,0|2,0,0]=4 10051 B14R0.140 CCC(C)CCC(C)OCCCCC=O 7a_200011216552_100000139335 [0,2,0,0,0,0|2,0,0]=4 10052 B14R0.2297 CCCCCCCCCNC(C=O)C=O 2230a_100000212291_100000736813 [0,2,0,0,0,0|2,0,0]=4 10053 B14R0.2297 CCCCCCCCCNC(C=O)C=O 34a_100000212291_100000736813 [0,2,0,0,0,0|2,0,0]=4 10054 B14R0.2297 CCCCCCCCCOC(C=O)C=O 34a_100000210712_100000736813 [0,2,0,0,0,0|2,0,0]=4 10055 B14R0.2297 CCCCCCCCCSC(C=O)C=O 62a_100000736813_100000210670 [0,2,0,0,0,0|2,0,0]=4 10056 B14R0.145 C/C=C/CCOC(C)CCCCCCC 34a_100016278192_200011218727 [0,2,0,0,0,0|2,0,0]=4 10057 B14R0.145 C/C=C/COCCC(C)CCCCCC 34a_200011024964_100102629194 [0,2,0,0,0,0|2,0,0]=4 10058 B14R0.145 C/C=C/COCCC(C)CCCCCC 7a_200011024964_100102629194 [0,2,0,0,0,0|2,0,0]=4 10059 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100000211969_100011215482 [0,2,0,0,0,0|2,0,0]=4 10060 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100011215552_100000210614 [0,2,0,0,0,0|2,0,0]=4 10061 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100011934241_100000210757 [0,2,0,0,0,0|2,0,0]=4 10062 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100102632555_100000700193 [0,2,0,0,0,0|2,0,0]=4 10063 B14R0.145 C=CCCCCCN(C)CCCCCC 2230a_106256046315_100000700193 [0,2,0,0,0,0|2,0,0]=4 10064 B14R0.145 C=CCCCCCN(C)CCCCCC 269982a_106256046315_100000700193 [0,2,0,0,0,0|2,0,0]=4 10065 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100000228206_100011215482 [0,2,0,0,0,0|2,0,0]=4 10066 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100012000471_100000210681 [0,2,0,0,0,0|2,0,0]=4 10067 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100000228206_100011215482 [0,2,0,0,0,0|2,0,0]=4 10068 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100012000471_100000210681 [0,2,0,0,0,0|2,0,0]=4 10069 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000210919_100011215482 [0,2,0,0,0,0|2,0,0]=4 10070 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000703577_100011215978 [0,2,0,0,0,0|2,0,0]=4 10071 B14R0.145 C=CCCCCNC(C)CCCCCC 270004a_100000703577_100000210826 [0,2,0,0,0,0|2,0,0]=4 10072 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000210919_100011215482 [0,2,0,0,0,0|2,0,0]=4 10073 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000703577_100011215978 [0,2,0,0,0,0|2,0,0]=4 10074 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000210265_100011215482 [0,2,0,0,0,0|2,0,0]=4 10075 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000766645_100011215978 [0,2,0,0,0,0|2,0,0]=4 10076 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000210265_100011215482 [0,2,0,0,0,0|2,0,0]=4 10077 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000766645_100011215978 [0,2,0,0,0,0|2,0,0]=4 10078 B14R0.145 C=CCCCNC(C)CCCCCCC 2230a_100000700776_200011218727 [0,2,0,0,0,0|2,0,0]=4 10079 B14R0.145 C=CCCCNC(C)CCCCCCC 270004a_100000700776_100000210596 [0,2,0,0,0,0|2,0,0]=4 10080 B14R0.145 C=CCCCNC(C)CCCCCCC 34a_100000700776_200011218727 [0,2,0,0,0,0|2,0,0]=4 10081 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_100000758997_200011218727 [0,2,0,0,0,0|2,0,0]=4 10082 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_200011215852_100000757094 [0,2,0,0,0,0|2,0,0]=4 10083 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_100000758997_200011218727 [0,2,0,0,0,0|2,0,0]=4 10084 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_200011215852_100000757094 [0,2,0,0,0,0|2,0,0]=4 10085 B14R0.145 C=CCCOCCC(C)CCCCCC 34a_200011024964_100000754431 [0,2,0,0,0,0|2,0,0]=4 10086 B14R0.145 C=CCCOCCC(C)CCCCCC 7a_200011024964_100000754431 [0,2,0,0,0,0|2,0,0]=4 10087 B14R0.145 C=CCOCCC(=O)CCCCCCC 1458a_200011217002_100000210614 [0,2,0,0,0,0|1,0,1]=4 10088 B14R0.145 C=CCOCCOC(C)CCCCCC 34a_100000037705_100011215978 [0,2,0,0,0,0|2,0,0]=4 10089 B14R0.145 C=CCOCCOC(C)CCCCCC 7a_100000037705_100011215978 [0,2,0,0,0,0|2,0,0]=4 10090 B14R0.145 C=COCCCNC(=O)CCCCCC 11a_100000210767_100102632555 [0,2,0,0,0,0|1,0,1]=4 10091 B14R0.145 C=COCCCNC(=O)CCCCCC 1626a_100000210767_100102632555 [0,2,0,0,0,0|1,0,1]=4 10092 B14R0.145 C=COCCCNC(=O)CCCCCC 240690a_100000210767_100102632555 [0,2,0,0,0,0|1,0,1]=4 10093 B14R0.145 C=COCCCNC(=O)CCCCCC 527a_100000210767_100102632555 [0,2,0,0,0,0|1,0,1]=4 10094 B14R0.145 C=COCCCNC(C)CCCCCC 2230a_100000210767_100011215978 [0,2,0,0,0,0|1,0,0]=3 10095 B14R0.145 C=COCCCNC(C)CCCCCC 270004a_100000210767_100000210826 [0,2,0,0,0,0|1,0,0]=3 10096 B14R0.145 C=COCCCNC(C)CCCCCC 34a_100000210767_100011215978 [0,2,0,0,0,0|1,0,0]=3 10097 B14R0.145 C=COCCOC(C)CCCCCCC 34a_100000033082_200011218727 [0,2,0,0,0,0|1,0,0]=3 10098 B14R0.145 C=COCCOC(C)CCCCCCC 34a_200011215852_100000039644 [0,2,0,0,0,0|1,0,0]=3 10099 B14R0.145 C=COCCOC(C)CCCCCCC 7a_200011215852_100000039644 [0,2,0,0,0,0|1,0,0]=3 10100 B14R0.145 C=COCCSC(C)CCCCCCC 62a_100000039644_200011218727 [0,2,0,0,0,0|1,0,0]=3 10101 B14R0.145 C=COCCSC(C)CCCCCCC 62a_200011218727_100000039644 [0,2,0,0,0,0|1,0,0]=3 10102 B14R0.145 CC=CCCCOC(C)CCCCCC 34a_100020645299_100011215978 [0,2,0,0,0,0|2,0,0]=4 10103 B14R0.145 CC=CCOCCC(C)CCCCCC 34a_200011024964_100000070051 [0,2,0,0,0,0|2,0,0]=4 10104 B14R0.145 CC=CCOCCC(C)CCCCCC 7a_200011024964_100000070051 [0,2,0,0,0,0|2,0,0]=4 10105 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [0,2,0,0,0,0|1,0,0]=3 10106 B14R0.145 CCCCCCC(C)NCCCOCC 2230a_100000210919_100012232248 [0,2,0,0,0,0|1,0,1]=4 10107 B14R0.145 CCCCCCC(C)NCCCOCC 2230a_100000210961_100011215978 [0,2,0,0,0,0|1,0,1]=4 10108 B14R0.145 CCCCCCC(C)NCCCOCC 270004a_100000210961_100000210826 [0,2,0,0,0,0|1,0,1]=4 10109 B14R0.145 CCCCCCC(C)NCCCOCC 34a_100000210919_100012232248 [0,2,0,0,0,0|1,0,1]=4 10110 B14R0.145 CCCCCCC(C)NCCCOCC 34a_100000210961_100011215978 [0,2,0,0,0,0|1,0,1]=4 10111 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [0,2,0,0,0,0|1,0,0]=3 10112 B14R0.145 CCCCCCC(C)OCCCOCC 34a_100000210265_100012232248 [0,2,0,0,0,0|1,0,1]=4 10113 B14R0.145 CCCCCCC(C)OCCCOCC 34a_100000757476_100011215978 [0,2,0,0,0,0|1,0,1]=4 10114 B14R0.145 CCCCCCC(C)OCCCOCC 7a_100000210265_100012232248 [0,2,0,0,0,0|1,0,1]=4 10115 B14R0.145 CCCCCCC(C)OCCCOCC 7a_100000757476_100011215978 [0,2,0,0,0,0|1,0,1]=4 10116 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [0,2,0,0,0,0|1,0,0]=3 10117 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [0,2,0,0,0,0|1,0,0]=3 10118 B14R0.145 CCCCCCC(C)SCCCOCC 62a_100011215978_100012232248 [0,2,0,0,0,0|1,0,1]=4 10119 B14R0.145 CCCCCCC(C)SCCCOCC 62a_100012232248_100011215978 [0,2,0,0,0,0|1,0,1]=4 10120 B14R0.145 CCCCCCCC(=O)CCCOCC 1458a_100000211969_100012232248 [0,2,0,0,0,0|1,0,1]=4 10121 B14R0.145 CCCCCCCC(C)NCCOCC 2230a_102516460346_200011218727 [0,2,0,0,0,0|1,0,1]=4 10122 B14R0.145 CCCCCCCC(C)NCCOCC 270004a_102516460346_100000210596 [0,2,0,0,0,0|1,0,1]=4 10123 B14R0.145 CCCCCCCC(C)NCCOCC 34a_102516460346_200011218727 [0,2,0,0,0,0|1,0,1]=4 10124 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [0,2,0,0,0,0|1,0,0]=3 10125 B14R0.145 CCCCCCCC(C)OCCOCC 34a_100000210136_200011218727 [0,2,0,0,0,0|1,0,1]=4 10126 B14R0.145 CCCCCCCC(C)OCCOCC 34a_200011215852_100000210147 [0,2,0,0,0,0|1,0,1]=4 10127 B14R0.145 CCCCCCCC(C)OCCOCC 7a_100000210136_200011218727 [0,2,0,0,0,0|1,0,1]=4 10128 B14R0.145 CCCCCCCC(C)OCCOCC 7a_200011215852_100011215890 [0,2,0,0,0,0|1,0,1]=4 10129 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [0,2,0,0,0,0|1,0,0]=3 10130 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [0,2,0,0,0,0|1,0,0]=3 10131 B14R0.145 CCCCCCCC(C)SCCOCC 62a_100000210147_200011218727 [0,2,0,0,0,0|1,0,1]=4 10132 B14R0.145 CCCCCCCC(C)SCCOCC 62a_200011218727_100011215890 [0,2,0,0,0,0|1,0,1]=4 10133 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [0,2,0,0,0,0|1,0,0]=3 10134 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [0,2,0,0,0,0|1,0,0]=3 10135 B14R0.145 CCCCCCCN(C)CCCOCC 2230a_100000228206_100012232248 [0,2,0,0,0,0|1,0,1]=4 10136 B14R0.145 CCCCCCCN(C)CCCOCC 269982a_100000228206_100012232248 [0,2,0,0,0,0|1,0,1]=4 10137 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [0,2,0,0,0,0|1,0,0]=3 10138 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [0,2,0,0,0,0|1,0,0]=3 10139 B14R0.145 CCCCOCC(C)OCCCCC=O 7a_100011217071_100000139335 [0,2,0,0,0,0|2,0,0]=4 10140 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [0,2,0,0,0,0|2,0,0]=4 10141 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [0,2,0,0,0,0|2,0,0]=4 10142 B14R0.953 C=CC(CCCCCC)OCCCC=O 7a_200011215977_200011292268 [0,2,0,0,0,0|2,0,0]=4 10143 B14R0.953 C=COCCOC(C=C)CCCCCC 34a_200011215977_100000039644 [0,2,0,0,0,0|2,0,0]=4 10144 B14R0.953 C=COCCOC(C=C)CCCCCC 7a_200011215977_100000039644 [0,2,0,0,0,0|2,0,0]=4 10145 B14R0.953 C=COCCOC(CC)CCCCCC 34a_100011215785_100000039644 [0,2,0,0,0,0|2,0,0]=4 10146 B14R0.953 C=COCCOC(CC)CCCCCC 7a_100011215785_100000039644 [0,2,0,0,0,0|2,0,0]=4 10147 B14R0.953 CCCCCCC(CC)OCCCC=O 7a_100011215785_200011292268 [0,2,0,0,0,0|2,0,0]=4 10148 B14R0.2151 C=COCCOC(C)(C)CCCCCC 7a_200011995690_100000039644 [0,2,0,0,0,0|2,0,0]=4 10149 B14R0.2151 CCCCCCC(C)(C)OCCCC=O 7a_200011995690_200011292268 [0,2,0,0,0,0|2,0,0]=4 10150 B14R0.2256 C=COCCC(=O)C(O)CCCCCC 1458a_100011215828_100000039644 [0,2,0,0,0,0|1,0,1]=4 10151 B14R0.392 C#CCCCCCCCCCCOCC 34a_100000054667_100000210202 [0,2,0,0,0,0|1,0,1]=4 10152 B14R0.392 C#CCCCCCCCCCCOCC 7a_100000054667_100000210202 [0,2,0,0,0,0|1,0,1]=4 10153 B14R0.392 C#CCCCCCCCCCCOCF 34a_100000054667_100015361967 [0,2,0,0,0,0|1,0,1]=4 10154 B14R0.392 C#CCCCCCCCCCCOCF 7a_100000054667_100015361967 [0,2,0,0,0,0|1,0,1]=4 10155 B14R0.392 C#CCCCCCCCCCOCC=C 34a_100000034437_100015514636 [0,2,0,0,0,0|1,0,1]=4 10156 B14R0.392 C#CCCCCCCCCCOCC=C 7a_100000034437_100015514636 [0,2,0,0,0,0|1,0,1]=4 10157 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [0,2,0,0,0,0|0,0,1]=3 10158 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [0,2,0,0,0,0|0,0,1]=3 10159 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [0,2,0,0,0,0|1,0,1]=4 10160 B14R0.392 C#CCCCCCCCOCCOC=C 34a_100000033082_100153394163 [0,2,0,0,0,0|1,0,1]=4 10161 B14R0.392 C#CCCCCCCCOCCOC=C 34a_100000054614_100000039644 [0,2,0,0,0,0|1,0,1]=4 10162 B14R0.392 C#CCCCCCCCOCCOC=C 7a_100000054614_100000039644 [0,2,0,0,0,0|1,0,1]=4 10163 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [0,2,0,0,0,0|1,0,1]=4 10164 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [0,2,0,0,0,0|1,0,1]=4 10165 B14R0.392 C#CCCCCCCCSCCOC=C 62a_100000039644_100153394163 [0,2,0,0,0,0|1,0,1]=4 10166 B14R0.392 C#CCCCCCCCSCCOC=C 62a_100153394163_100000039644 [0,2,0,0,0,0|1,0,1]=4 10167 B14R0.392 C#CCCCCCCNCCCOC=C 2230a_100000210767_100012276617 [0,2,0,0,0,0|1,0,1]=4 10168 B14R0.392 C#CCCCCCCNCCCOC=C 34a_100000210767_100012276617 [0,2,0,0,0,0|1,0,1]=4 10169 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [0,2,0,0,0,0|1,0,1]=4 10170 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [0,2,0,0,0,0|1,0,1]=4 10171 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [0,2,0,0,0,0|1,0,1]=4 10172 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [0,2,0,0,0,0|1,0,1]=4 10173 B14R0.392 C#CCCCCCOCCCCOC=C 34a_100000031558_100012094781 [0,2,0,0,0,0|1,0,1]=4 10174 B14R0.392 C#CCCCCCOCCCCOC=C 7a_100000031558_100012094781 [0,2,0,0,0,0|1,0,1]=4 10175 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [0,2,0,0,0,0|1,0,1]=4 10176 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [0,2,0,0,0,0|1,0,1]=4 10177 B14R0.392 C#CCCOCCCCCCCCCC 34a_100000210711_100000688953 [0,2,0,0,0,0|1,0,1]=4 10178 B14R0.392 C#CCCOCCCCCCCCCC 34a_100011215631_100000210320 [0,2,0,0,0,0|1,0,1]=4 10179 B14R0.392 C#CCCOCCCCCCCCCC 7a_100000210711_100000688953 [0,2,0,0,0,0|1,0,1]=4 10180 B14R0.392 C#CCOCCCCCCCCCCBr 34a_100009813290_100000184674 [0,2,0,0,0,0|1,0,1]=4 10181 B14R0.392 C#CCOCCCCCCCCCCBr 7a_100009813290_100000038162 [0,2,0,0,0,0|1,0,1]=4 10182 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210247_100011215454 [0,2,0,0,0,0|1,0,1]=4 10183 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210809_100000184674 [0,2,0,0,0,0|1,0,1]=4 10184 B14R0.392 C#CCOCCCCCCCCCCC 7a_100000210809_100000038162 [0,2,0,0,0,0|1,0,1]=4 10185 B14R0.392 C#CCOCCCCCCCCCCCl 34a_200000033068_100000184674 [0,2,0,0,0,0|1,0,1]=4 10186 B14R0.392 C#CCOCCCCCCCCCCCl 7a_200000033068_100000038162 [0,2,0,0,0,0|1,0,1]=4 10187 B14R0.392 C#CCOCCCCCCCCCCN 34a_100000066964_100000184674 [0,2,0,0,0,0|1,0,1]=4 10188 B14R0.392 C#CCOCCCCCCCCCCO 34a_100000210247_100009813290 [0,2,0,0,0,0|1,0,1]=4 10189 B14R0.392 C#CCOCCCCCCOCCCC 34a_200011021349_100000210210 [0,2,0,0,0,0|1,0,1]=4 10190 B14R0.392 C#CCOCCCCCCOCCCC 7a_200011021349_100000210211 [0,2,0,0,0,0|1,0,1]=4 10191 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000229939_100010402529 [0,2,0,0,0,0|1,0,1]=4 10192 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000700922_100000210759 [0,2,0,0,0,0|1,0,1]=4 10193 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000229939_100010402529 [0,2,0,0,0,0|1,0,1]=4 10194 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000700922_100000210759 [0,2,0,0,0,0|1,0,1]=4 10195 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000054580_100000210759 [0,2,0,0,0,0|1,0,1]=4 10196 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000210232_100010402529 [0,2,0,0,0,0|1,0,1]=4 10197 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000054580_100000210759 [0,2,0,0,0,0|1,0,1]=4 10198 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000210232_100010402529 [0,2,0,0,0,0|1,0,1]=4 10199 B14R0.392 C#CCOCCSCCCCCCCC 62a_100000210759_100010402529 [0,2,0,0,0,0|1,0,1]=4 10200 B14R0.392 C#CCOCCSCCCCCCCC 62a_100010402529_100000210317 [0,2,0,0,0,0|1,0,1]=4 10201 B14R0.392 C/C=C/CCOCCCCCCCCC 34a_100016278192_100011214924 [0,2,0,0,0,0|2,0,0]=4 10202 B14R0.392 C/C=C/CCOCCCCCCCCO 34a_100016278192_100000033203 [0,2,0,0,0,0|2,0,0]=4 10203 B14R0.392 C/C=C/CNCCCCCCCCCC 34a_100000684558_100102629194 [0,2,0,0,0,0|2,0,0]=4 10204 B14R0.392 C/C=C/CNCCCCCCCCCO 34a_100000078944_100102629194 [0,2,0,0,0,0|2,0,0]=4 10205 B14R0.392 C/C=C/COCCCCCCCCCBr 34a_100009813782_100102629194 [0,2,0,0,0,0|2,0,0]=4 10206 B14R0.392 C/C=C/COCCCCCCCCCBr 7a_100009813782_100102629194 [0,2,0,0,0,0|2,0,0]=4 10207 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100000210711_100102629194 [0,2,0,0,0,0|1,0,0]=3 10208 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100016270725_100000210320 [0,2,0,0,0,0|1,0,0]=3 10209 B14R0.392 C/C=C/COCCCCCCCCCC 7a_100000210711_100102629194 [0,2,0,0,0,0|1,0,0]=3 10210 B14R0.392 C/C=C/COCCCCCCCCCCl 34a_100009868337_100102629194 [0,2,0,0,0,0|2,0,0]=4 10211 B14R0.392 C/C=C/COCCCCCCCCCCl 7a_100009868337_100102629194 [0,2,0,0,0,0|2,0,0]=4 10212 B14R0.392 C/C=C/COCCCCCCCCCN 34a_100000078944_100102629194 [0,2,0,0,0,0|2,0,0]=4 10213 B14R0.392 C/C=C/COCCCCCCCCCO 34a_100016270725_100009813782 [0,2,0,0,0,0|2,0,0]=4 10214 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100009813782_100102629194 [0,2,0,0,0,0|2,0,0]=4 10215 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100102629194_100009813782 [0,2,0,0,0,0|2,0,0]=4 10216 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [0,2,0,0,0,0|2,0,0]=4 10217 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [0,2,0,0,0,0|2,0,0]=4 10218 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [0,2,0,0,0,0|2,0,0]=4 10219 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [0,2,0,0,0,0|2,0,0]=4 10220 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [0,2,0,0,0,0|2,0,0]=4 10221 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [0,2,0,0,0,0|1,0,1]=4 10222 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [0,2,0,0,0,0|1,0,1]=4 10223 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [0,2,0,0,0,0|1,0,1]=4 10224 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [0,2,0,0,0,0|2,0,0]=4 10225 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [0,2,0,0,0,0|2,0,0]=4 10226 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [0,2,0,0,0,0|2,0,0]=4 10227 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [0,2,0,0,0,0|2,0,0]=4 10228 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [0,2,0,0,0,0|2,0,0]=4 10229 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [0,2,0,0,0,0|2,0,0]=4 10230 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [0,2,0,0,0,0|2,0,0]=4 10231 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [0,2,0,0,0,0|2,0,0]=4 10232 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [0,2,0,0,0,0|2,0,0]=4 10233 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [0,2,0,0,0,0|2,0,0]=4 10234 B14R0.392 C=CCCCCCCCCCNCSC 2230a_100000081888_100011218213 [0,2,0,0,0,0|2,0,0]=4 10235 B14R0.392 C=CCCCCCCCCCNCSC 34a_100000081888_100011218213 [0,2,0,0,0,0|2,0,0]=4 10236 B14R0.392 C=CCCCCCCCCCOCC=C 34a_100000038209_100015514636 [0,2,0,0,0,0|1,0,1]=4 10237 B14R0.392 C=CCCCCCCCCCOCC=C 34a_200000210373_100009814027 [0,2,0,0,0,0|1,0,1]=4 10238 B14R0.392 C=CCCCCCCCCCOCC=C 7a_100000038209_100015514636 [0,2,0,0,0,0|1,0,1]=4 10239 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [0,2,0,0,0,0|0,0,1]=3 10240 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [0,2,0,0,0,0|0,0,1]=3 10241 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [0,2,0,0,0,0|2,0,0]=4 10242 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [0,2,0,0,0,0|2,0,0]=4 10243 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [0,2,0,0,0,0|2,0,0]=4 10244 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [0,2,0,0,0,0|2,0,0]=4 10245 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [0,2,0,0,0,0|2,0,0]=4 10246 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [0,2,0,0,0,0|2,0,0]=4 10247 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [0,2,0,0,0,0|2,0,0]=4 10248 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [0,2,0,0,0,0|2,0,0]=4 10249 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [0,2,0,0,0,0|2,0,0]=4 10250 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [0,2,0,0,0,0|2,0,0]=4 10251 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [0,2,0,0,0,0|0,1,1]=4 10252 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [0,2,0,0,0,0|0,1,1]=4 10253 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [0,2,0,0,0,0|2,0,0]=4 10254 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [0,2,0,0,0,0|2,0,0]=4 10255 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [0,2,0,0,0,0|2,0,0]=4 10256 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [0,2,0,0,0,0|2,0,0]=4 10257 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [0,2,0,0,0,0|2,0,0]=4 10258 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [0,2,0,0,0,0|2,0,0]=4 10259 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [0,2,0,0,0,0|2,0,0]=4 10260 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [0,2,0,0,0,0|2,0,0]=4 10261 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [0,2,0,0,0,0|2,0,0]=4 10262 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [0,2,0,0,0,0|2,0,0]=4 10263 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [0,2,0,0,0,0|2,0,0]=4 10264 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [0,2,0,0,0,0|2,0,0]=4 10265 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [0,2,0,0,0,0|2,0,0]=4 10266 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [0,2,0,0,0,0|2,0,0]=4 10267 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [0,2,0,0,0,0|2,0,0]=4 10268 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [0,2,0,0,0,0|2,0,0]=4 10269 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [0,2,0,0,0,0|2,0,0]=4 10270 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [0,2,0,0,0,0|2,0,0]=4 10271 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [0,2,0,0,0,0|2,0,0]=4 10272 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [0,2,0,0,0,0|2,0,0]=4 10273 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [0,2,0,0,0,0|2,0,0]=4 10274 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [0,2,0,0,0,0|2,0,0]=4 10275 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [0,2,0,0,0,0|2,0,0]=4 10276 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [0,2,0,0,0,0|2,0,0]=4 10277 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [0,2,0,0,0,0|2,0,0]=4 10278 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [0,2,0,0,0,0|2,0,0]=4 10279 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [0,2,0,0,0,0|2,0,0]=4 10280 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [0,2,0,0,0,0|2,0,0]=4 10281 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [0,2,0,0,0,0|2,0,0]=4 10282 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [0,2,0,0,0,0|2,0,0]=4 10283 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [0,2,0,0,0,0|2,0,0]=4 10284 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [0,2,0,0,0,0|2,0,0]=4 10285 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [0,2,0,0,0,0|2,0,0]=4 10286 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [0,2,0,0,0,0|2,0,0]=4 10287 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [0,2,0,0,0,0|2,0,0]=4 10288 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [0,2,0,0,0,0|2,0,0]=4 10289 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [0,2,0,0,0,0|2,0,0]=4 10290 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [0,2,0,0,0,0|2,0,0]=4 10291 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [0,2,0,0,0,0|2,0,0]=4 10292 B14R0.392 C=CCCCCCCCNCCCSC 2230a_100000749238_100012355270 [0,2,0,0,0,0|2,0,0]=4 10293 B14R0.392 C=CCCCCCCCNCCOCC 2230a_102516460346_100012355270 [0,2,0,0,0,0|2,0,0]=4 10294 B14R0.392 C=CCCCCCCCNCCOCC 34a_102516460346_100012355270 [0,2,0,0,0,0|2,0,0]=4 10295 B14R0.392 C=CCCCCCCCNCCSCC 2230a_100000106463_100012355270 [0,2,0,0,0,0|2,0,0]=4 10296 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [0,2,0,0,0,0|1,0,1]=4 10297 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [0,2,0,0,0,0|2,0,0]=4 10298 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [0,2,0,0,0,0|2,0,0]=4 10299 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [0,2,0,0,0,0|2,0,0]=4 10300 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [0,2,0,0,0,0|2,0,0]=4 10301 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [0,2,0,0,0,0|2,0,0]=4 10302 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [0,2,0,0,0,0|2,0,0]=4 10303 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [0,2,0,0,0,0|2,0,0]=4 10304 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [0,2,0,0,0,0|2,0,0]=4 10305 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [0,2,0,0,0,0|2,0,0]=4 10306 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [0,2,0,0,0,0|2,0,0]=4 10307 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [0,2,0,0,0,0|2,0,0]=4 10308 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [0,2,0,0,0,0|2,0,0]=4 10309 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [0,2,0,0,0,0|2,0,0]=4 10310 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [0,2,0,0,0,0|2,0,0]=4 10311 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [0,2,0,0,0,0|2,0,0]=4 10312 B14R0.392 C=CCCCCCCCOCCCNC 34a_100000213112_100012355270 [0,2,0,0,0,0|2,0,0]=4 10313 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [0,2,0,0,0,0|2,0,0]=4 10314 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [0,2,0,0,0,0|2,0,0]=4 10315 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [0,2,0,0,0,0|2,0,0]=4 10316 B14R0.392 C=CCCCCCCCOCCCSC 34a_100000690336_100012355270 [0,2,0,0,0,0|2,0,0]=4 10317 B14R0.392 C=CCCCCCCCOCCCSC 7a_100000690336_100012355270 [0,2,0,0,0,0|2,0,0]=4 10318 B14R0.392 C=CCCCCCCCOCCOC=C 34a_100000033082_100012355270 [0,2,0,0,0,0|1,0,1]=4 10319 B14R0.392 C=CCCCCCCCOCCOC=C 34a_100000730831_100000039644 [0,2,0,0,0,0|1,0,1]=4 10320 B14R0.392 C=CCCCCCCCOCCOC=C 7a_100000730831_100000039644 [0,2,0,0,0,0|1,0,1]=4 10321 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000210136_100012355270 [0,2,0,0,0,0|2,0,0]=4 10322 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000730831_100000210147 [0,2,0,0,0,0|2,0,0]=4 10323 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000210136_100012355270 [0,2,0,0,0,0|2,0,0]=4 10324 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000730831_100011215890 [0,2,0,0,0,0|2,0,0]=4 10325 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000212035_100012355270 [0,2,0,0,0,0|2,0,0]=4 10326 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000730831_100000757381 [0,2,0,0,0,0|2,0,0]=4 10327 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000212035_100012355270 [0,2,0,0,0,0|2,0,0]=4 10328 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000730831_100000757381 [0,2,0,0,0,0|2,0,0]=4 10329 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [0,2,0,0,0,0|1,0,1]=4 10330 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [0,2,0,0,0,0|1,0,1]=4 10331 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [0,2,0,0,0,0|2,0,0]=4 10332 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [0,2,0,0,0,0|2,0,0]=4 10333 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [0,2,0,0,0,0|2,0,0]=4 10334 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [0,2,0,0,0,0|2,0,0]=4 10335 B14R0.392 C=CCCCCCCCSCCOC=C 62a_100000039644_100012355270 [0,2,0,0,0,0|1,0,1]=4 10336 B14R0.392 C=CCCCCCCCSCCOC=C 62a_100012355270_100000039644 [0,2,0,0,0,0|1,0,1]=4 10337 B14R0.392 C=CCCCCCCCSCCOCC 62a_100000210147_100012355270 [0,2,0,0,0,0|2,0,0]=4 10338 B14R0.392 C=CCCCCCCCSCCOCC 62a_100012355270_100011215890 [0,2,0,0,0,0|2,0,0]=4 10339 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [0,2,0,0,0,0|2,0,0]=4 10340 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [0,2,0,0,0,0|2,0,0]=4 10341 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [0,2,0,0,0,0|2,0,0]=4 10342 B14R0.392 C=CCCCCCCNCCCOC=C 2230a_100000210767_100011215473 [0,2,0,0,0,0|1,0,1]=4 10343 B14R0.392 C=CCCCCCCNCCCOC=C 34a_100000210767_100011215473 [0,2,0,0,0,0|1,0,1]=4 10344 B14R0.392 C=CCCCCCCNCCCOCC 2230a_100000210961_100011215473 [0,2,0,0,0,0|2,0,0]=4 10345 B14R0.392 C=CCCCCCCNCCCOCC 34a_100000210961_100011215473 [0,2,0,0,0,0|2,0,0]=4 10346 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [0,2,0,0,0,0|2,0,0]=4 10347 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [0,2,0,0,0,0|2,0,0]=4 10348 B14R0.392 C=CCCCCCCNCCSCCC 2230a_100020603323_100011215473 [0,2,0,0,0,0|2,0,0]=4 10349 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [0,2,0,0,0,0|1,0,1]=4 10350 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [0,2,0,0,0,0|2,0,0]=4 10351 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [0,2,0,0,0,0|2,0,0]=4 10352 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [0,2,0,0,0,0|2,0,0]=4 10353 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [0,2,0,0,0,0|2,0,0]=4 10354 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [0,2,0,0,0,0|2,0,0]=4 10355 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [0,2,0,0,0,0|2,0,0]=4 10356 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [0,2,0,0,0,0|2,0,0]=4 10357 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [0,2,0,0,0,0|2,0,0]=4 10358 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [0,2,0,0,0,0|2,0,0]=4 10359 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [0,2,0,0,0,0|2,0,0]=4 10360 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [0,2,0,0,0,0|2,0,0]=4 10361 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [0,2,0,0,0,0|2,0,0]=4 10362 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [0,2,0,0,0,0|2,0,0]=4 10363 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [0,2,0,0,0,0|2,0,0]=4 10364 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [0,2,0,0,0,0|2,0,0]=4 10365 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [0,2,0,0,0,0|2,0,0]=4 10366 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [0,2,0,0,0,0|2,0,0]=4 10367 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [0,2,0,0,0,0|2,0,0]=4 10368 B14R0.392 C=CCCCCCCOCCCCSC 34a_100011217163_100011215473 [0,2,0,0,0,0|2,0,0]=4 10369 B14R0.392 C=CCCCCCCOCCCCSC 7a_100011217163_100011215473 [0,2,0,0,0,0|2,0,0]=4 10370 B14R0.392 C=CCCCCCCOCCCOCC 34a_100000757476_100011215473 [0,2,0,0,0,0|2,0,0]=4 10371 B14R0.392 C=CCCCCCCOCCCOCC 34a_200011216477_100012232248 [0,2,0,0,0,0|2,0,0]=4 10372 B14R0.392 C=CCCCCCCOCCCOCC 7a_100000757476_100011215473 [0,2,0,0,0,0|2,0,0]=4 10373 B14R0.392 C=CCCCCCCOCCCOCC 7a_200011216477_100012232248 [0,2,0,0,0,0|2,0,0]=4 10374 B14R0.392 C=CCCCCCCOCCCSCC 34a_100011216438_100011215473 [0,2,0,0,0,0|2,0,0]=4 10375 B14R0.392 C=CCCCCCCOCCCSCC 7a_100011216438_100011215473 [0,2,0,0,0,0|2,0,0]=4 10376 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [0,2,0,0,0,0|2,0,0]=4 10377 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [0,2,0,0,0,0|2,0,0]=4 10378 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [0,2,0,0,0,0|2,0,0]=4 10379 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [0,2,0,0,0,0|2,0,0]=4 10380 B14R0.392 C=CCCCCCCOCCSCCC 34a_200000230433_100011215473 [0,2,0,0,0,0|2,0,0]=4 10381 B14R0.392 C=CCCCCCCOCCSCCC 7a_200000230433_100011215473 [0,2,0,0,0,0|2,0,0]=4 10382 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [0,2,0,0,0,0|2,0,0]=4 10383 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [0,2,0,0,0,0|1,0,1]=4 10384 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [0,2,0,0,0,0|1,0,1]=4 10385 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [0,2,0,0,0,0|2,0,0]=4 10386 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [0,2,0,0,0,0|2,0,0]=4 10387 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [0,2,0,0,0,0|2,0,0]=4 10388 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [0,2,0,0,0,0|2,0,0]=4 10389 B14R0.392 C=CCCCCCCSCCCOCC 62a_100011215473_100012232248 [0,2,0,0,0,0|2,0,0]=4 10390 B14R0.392 C=CCCCCCCSCCCOCC 62a_100012232248_100011215473 [0,2,0,0,0,0|2,0,0]=4 10391 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [0,2,0,0,0,0|2,0,0]=4 10392 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [0,2,0,0,0,0|2,0,0]=4 10393 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [0,2,0,0,0,0|2,0,0]=4 10394 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [0,2,0,0,0,0|2,0,0]=4 10395 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [0,2,0,0,0,0|2,0,0]=4 10396 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [0,2,0,0,0,0|2,0,0]=4 10397 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [0,2,0,0,0,0|2,0,0]=4 10398 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [0,2,0,0,0,0|2,0,0]=4 10399 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [0,2,0,0,0,0|2,0,0]=4 10400 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [0,2,0,0,0,0|2,0,0]=4 10401 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [0,2,0,0,0,0|2,0,0]=4 10402 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [0,2,0,0,0,0|2,0,0]=4 10403 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [0,2,0,0,0,0|1,0,1]=4 10404 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [0,2,0,0,0,0|2,0,0]=4 10405 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [0,2,0,0,0,0|2,0,0]=4 10406 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [0,2,0,0,0,0|2,0,0]=4 10407 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [0,2,0,0,0,0|2,0,0]=4 10408 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [0,2,0,0,0,0|2,0,0]=4 10409 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [0,2,0,0,0,0|2,0,0]=4 10410 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [0,2,0,0,0,0|2,0,0]=4 10411 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [0,2,0,0,0,0|2,0,0]=4 10412 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [0,2,0,0,0,0|2,0,0]=4 10413 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [0,2,0,0,0,0|2,0,0]=4 10414 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [0,2,0,0,0,0|2,0,0]=4 10415 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [0,2,0,0,0,0|2,0,0]=4 10416 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [0,2,0,0,0,0|2,0,0]=4 10417 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [0,2,0,0,0,0|2,0,0]=4 10418 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [0,2,0,0,0,0|2,0,0]=4 10419 B14R0.392 C=CCCCCCOCCCCCNC 34a_100000722520_100000700193 [0,2,0,0,0,0|2,0,0]=4 10420 B14R0.392 C=CCCCCCOCCCCOC=C 34a_100000031558_100000700193 [0,2,0,0,0,0|1,0,1]=4 10421 B14R0.392 C=CCCCCCOCCCCOC=C 7a_100000031558_100000700193 [0,2,0,0,0,0|1,0,1]=4 10422 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [0,2,0,0,0,0|2,0,0]=4 10423 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [0,2,0,0,0,0|2,0,0]=4 10424 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [0,2,0,0,0,0|2,0,0]=4 10425 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [0,2,0,0,0,0|2,0,0]=4 10426 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [0,2,0,0,0,0|2,0,0]=4 10427 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [0,2,0,0,0,0|2,0,0]=4 10428 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [0,2,0,0,0,0|1,0,1]=4 10429 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [0,2,0,0,0,0|1,0,1]=4 10430 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [0,2,0,0,0,0|2,0,0]=4 10431 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [0,2,0,0,0,0|2,0,0]=4 10432 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [0,2,0,0,0,0|2,0,0]=4 10433 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [0,2,0,0,0,0|2,0,0]=4 10434 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [0,2,0,0,0,0|2,0,0]=4 10435 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [0,2,0,0,0,0|2,0,0]=4 10436 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [0,2,0,0,0,0|2,0,0]=4 10437 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [0,2,0,0,0,0|2,0,0]=4 10438 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [0,2,0,0,0,0|2,0,0]=4 10439 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [0,2,0,0,0,0|2,0,0]=4 10440 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [0,2,0,0,0,0|2,0,0]=4 10441 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [0,2,0,0,0,0|2,0,0]=4 10442 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [0,2,0,0,0,0|2,0,0]=4 10443 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [0,2,0,0,0,0|2,0,0]=4 10444 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [0,2,0,0,0,0|2,0,0]=4 10445 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [0,2,0,0,0,0|2,0,0]=4 10446 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [0,2,0,0,0,0|2,0,0]=4 10447 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [0,2,0,0,0,0|2,0,0]=4 10448 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [0,2,0,0,0,0|2,0,0]=4 10449 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [0,2,0,0,0,0|2,0,0]=4 10450 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [0,2,0,0,0,0|2,0,0]=4 10451 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [0,2,0,0,0,0|2,0,0]=4 10452 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [0,2,0,0,0,0|2,0,0]=4 10453 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [0,2,0,0,0,0|2,0,0]=4 10454 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [0,2,0,0,0,0|2,0,0]=4 10455 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [0,2,0,0,0,0|2,0,0]=4 10456 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [0,2,0,0,0,0|2,0,0]=4 10457 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [0,2,0,0,0,0|2,0,0]=4 10458 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [0,2,0,0,0,0|2,0,0]=4 10459 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [0,2,0,0,0,0|2,0,0]=4 10460 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [0,2,0,0,0,0|2,0,0]=4 10461 B14R0.392 C=CCCCCOCCNCCCCC 34a_100000224656_100011215482 [0,2,0,0,0,0|2,0,0]=4 10462 B14R0.392 C=CCCCCOCCOCCCCC 34a_100011215259_100011215482 [0,2,0,0,0,0|2,0,0]=4 10463 B14R0.392 C=CCCCCOCCOCCCCC 7a_100011215259_100011215482 [0,2,0,0,0,0|2,0,0]=4 10464 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [0,2,0,0,0,0|2,0,0]=4 10465 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [0,2,0,0,0,0|2,0,0]=4 10466 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [0,2,0,0,0,0|2,0,0]=4 10467 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [0,2,0,0,0,0|2,0,0]=4 10468 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [0,2,0,0,0,0|2,0,0]=4 10469 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [0,2,0,0,0,0|2,0,0]=4 10470 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [0,2,0,0,0,0|2,0,0]=4 10471 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [0,2,0,0,0,0|2,0,0]=4 10472 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [0,2,0,0,0,0|2,0,0]=4 10473 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [0,2,0,0,0,0|2,0,0]=4 10474 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [0,2,0,0,0,0|2,0,0]=4 10475 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [0,2,0,0,0,0|2,0,0]=4 10476 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [0,2,0,0,0,0|2,0,0]=4 10477 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [0,2,0,0,0,0|2,0,0]=4 10478 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [0,2,0,0,0,0|2,0,0]=4 10479 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [0,2,0,0,0,0|2,0,0]=4 10480 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [0,2,0,0,0,0|2,0,0]=4 10481 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [0,2,0,0,0,0|2,0,0]=4 10482 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [0,2,0,0,0,0|2,0,0]=4 10483 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [0,2,0,0,0,0|2,0,0]=4 10484 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [0,2,0,0,0,0|2,0,0]=4 10485 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [0,2,0,0,0,0|2,0,0]=4 10486 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [0,2,0,0,0,0|2,0,0]=4 10487 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [0,2,0,0,0,0|2,0,0]=4 10488 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [0,2,0,0,0,0|2,0,0]=4 10489 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [0,2,0,0,0,0|2,0,0]=4 10490 B14R0.392 C=CCCCOCCOCCCCCC 34a_100000691444_100000757094 [0,2,0,0,0,0|2,0,0]=4 10491 B14R0.392 C=CCCCOCCOCCCCCC 7a_100000691444_100000757094 [0,2,0,0,0,0|2,0,0]=4 10492 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [0,2,0,0,0,0|2,0,0]=4 10493 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [0,2,0,0,0,0|2,0,0]=4 10494 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [0,2,0,0,0,0|2,0,0]=4 10495 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [0,2,0,0,0,0|2,0,0]=4 10496 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [0,2,0,0,0,0|2,0,0]=4 10497 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [0,2,0,0,0,0|2,0,0]=4 10498 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [0,2,0,0,0,0|2,0,0]=4 10499 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [0,2,0,0,0,0|2,0,0]=4 10500 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [0,2,0,0,0,0|2,0,0]=4 10501 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [0,2,0,0,0,0|2,0,0]=4 10502 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [0,2,0,0,0,0|1,0,0]=3 10503 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [0,2,0,0,0,0|1,0,0]=3 10504 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [0,2,0,0,0,0|1,0,0]=3 10505 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [0,2,0,0,0,0|2,0,0]=4 10506 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [0,2,0,0,0,0|2,0,0]=4 10507 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [0,2,0,0,0,0|2,0,0]=4 10508 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [0,2,0,0,0,0|2,0,0]=4 10509 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [0,2,0,0,0,0|2,0,0]=4 10510 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [0,2,0,0,0,0|2,0,0]=4 10511 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [0,2,0,0,0,0|2,0,0]=4 10512 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [0,2,0,0,0,0|2,0,0]=4 10513 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [0,2,0,0,0,0|2,0,0]=4 10514 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [0,2,0,0,0,0|2,0,0]=4 10515 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [0,2,0,0,0,0|2,0,0]=4 10516 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [0,2,0,0,0,0|2,0,0]=4 10517 B14R0.392 C=CCOC/C=C/CCCCCCCC 34a_200020667288_100015514636 [0,2,0,0,0,0|1,0,1]=4 10518 B14R0.392 C=CCOC/C=C/CCCCCCCC 7a_200020667288_100015514636 [0,2,0,0,0,0|1,0,1]=4 10519 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [0,2,0,0,0,0|1,0,0]=3 10520 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [0,2,0,0,0,0|1,0,0]=3 10521 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [0,2,0,0,0,0|1,0,0]=3 10522 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [0,2,0,0,0,0|1,0,0]=3 10523 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [0,2,0,0,0,0|1,0,0]=3 10524 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [0,2,0,0,0,0|1,0,0]=3 10525 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [0,2,0,0,0,0|1,0,0]=3 10526 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [0,2,0,0,0,0|1,0,0]=3 10527 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [0,2,0,0,0,0|1,0,0]=3 10528 B14R0.392 C=CCOCCOCCCCCCCC 34a_100000037705_100000210759 [0,2,0,0,0,0|1,0,0]=3 10529 B14R0.392 C=CCOCCOCCCCCCCC 7a_100000037705_100000210759 [0,2,0,0,0,0|1,0,0]=3 10530 B14R0.392 C=CCOCCOCCCCCCCO 34a_100000037705_100000760002 [0,2,0,0,0,0|2,0,0]=4 10531 B14R0.392 C=CCOCCOCCCCCCCO 7a_100000037705_100000760002 [0,2,0,0,0,0|2,0,0]=4 10532 B14R0.392 C=CCOCCOCCCCCCOC 34a_100000037705_100011998445 [0,2,0,0,0,0|2,0,0]=4 10533 B14R0.392 C=CCOCCOCCCCCCOC 7a_100000037705_100011998445 [0,2,0,0,0,0|2,0,0]=4 10534 B14R0.392 C=CCOCCOCCOCCCCC 34a_100000065479_100000718602 [0,2,0,0,0,0|2,0,0]=4 10535 B14R0.392 C=CCOCCOCCOCCCCC 7a_100000065479_100000210326 [0,2,0,0,0,0|2,0,0]=4 10536 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [0,2,0,0,0,0|1,1,0]=4 10537 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [0,2,0,0,0,0|1,1,0]=4 10538 B14R0.392 C=COCCCCOCCCCCC#N 7a_100000031558_100009813376 [0,2,0,0,0,0|1,0,1]=4 10539 B14R0.392 C=COCCCCOCCCCCC=O 7a_100000031558_100000139337 [0,2,0,0,0,0|1,0,1]=4 10540 B14R0.392 C=COCCCCOCCCCCCC 34a_100000031558_100000210614 [0,2,0,0,0,0|1,0,0]=3 10541 B14R0.392 C=COCCCCOCCCCCCC 7a_100000031558_100000210614 [0,2,0,0,0,0|1,0,0]=3 10542 B14R0.392 C=COCCCCOCCCCCCF 34a_100000031558_100015922095 [0,2,0,0,0,0|1,0,0]=3 10543 B14R0.392 C=COCCCCOCCCCCCF 7a_100000031558_100015922095 [0,2,0,0,0,0|1,0,0]=3 10544 B14R0.392 C=COCCCCOCCCCCCO 34a_100000031558_100000766143 [0,2,0,0,0,0|1,0,0]=3 10545 B14R0.392 C=COCCCCOCCCCCCO 7a_100000031558_100000766143 [0,2,0,0,0,0|1,0,0]=3 10546 B14R0.392 C=COCCCCOCCOCCCC 34a_100000031558_100000743108 [0,2,0,0,0,0|1,0,0]=3 10547 B14R0.392 C=COCCCCOCCOCCCC 7a_100000031558_100000743108 [0,2,0,0,0,0|1,0,0]=3 10548 B14R0.392 C=COCCCCOCCOCCOC 34a_100000031558_100000695917 [0,2,0,0,0,0|2,0,0]=4 10549 B14R0.392 C=COCCCCOCCOCCOC 7a_100000031558_100000695917 [0,2,0,0,0,0|2,0,0]=4 10550 B14R0.392 C=COCCCNCC#CCCCCC 2230a_100000210767_100009816472 [0,2,0,0,0,0|1,0,1]=4 10551 B14R0.392 C=COCCCNCC#CCCCCC 34a_100000210767_100009816472 [0,2,0,0,0,0|1,0,1]=4 10552 B14R0.392 C=COCCCNCCCCCCC#N 2230a_100000210767_100009813337 [0,2,0,0,0,0|1,0,1]=4 10553 B14R0.392 C=COCCCNCCCCCCCC 2230a_100000210767_100000210759 [0,2,0,0,0,0|1,0,0]=3 10554 B14R0.392 C=COCCCNCCCCCCCC 34a_100000210767_100000210759 [0,2,0,0,0,0|1,0,0]=3 10555 B14R0.392 C=COCCCNCCCCCCCO 2230a_100000210767_100000760002 [0,2,0,0,0,0|1,0,0]=3 10556 B14R0.392 C=COCCCNCCCCCCCO 34a_100000210767_100000760002 [0,2,0,0,0,0|1,0,0]=3 10557 B14R0.392 C=COCCCNCCCCCCOC 2230a_100000210767_100011998445 [0,2,0,0,0,0|1,0,0]=3 10558 B14R0.392 C=COCCCNCCCCCCOC 34a_100000210767_100011998445 [0,2,0,0,0,0|1,0,0]=3 10559 B14R0.392 C=COCCCNCCCOCCOC 2230a_100000210767_100011216529 [0,2,0,0,0,0|2,0,0]=4 10560 B14R0.392 C=COCCCNCCCOCCOC 34a_100000210767_100011216529 [0,2,0,0,0,0|2,0,0]=4 10561 B14R0.392 C=COCCCNCCOCCOCC 2230a_100000210767_100011211534 [0,2,0,0,0,0|2,0,0]=4 10562 B14R0.392 C=COCCCNCCOCCOCC 34a_100000210767_100011211534 [0,2,0,0,0,0|2,0,0]=4 10563 B14R0.392 C=COCCNCCCCCCCCC 2230a_100000212291_100000039644 [0,2,0,0,0,0|1,0,0]=3 10564 B14R0.392 C=COCCNCCCCCCCCC 34a_100000212291_100000039644 [0,2,0,0,0,0|1,0,0]=3 10565 B14R0.392 C=COCCNCCCCCCCCO 2230a_102515433106_100000039644 [0,2,0,0,0,0|1,0,0]=3 10566 B14R0.392 C=COCCNCCCCCCCCO 34a_102515433106_100000039644 [0,2,0,0,0,0|1,0,0]=3 10567 B14R0.392 C=COCCNCCOCCOCCC 2230a_200011904461_100000039644 [0,2,0,0,0,0|2,0,0]=4 10568 B14R0.392 C=COCCNCCOCCOCCC 34a_200011904461_100000039644 [0,2,0,0,0,0|2,0,0]=4 10569 B14R0.392 C=COCCOC/C=C/CCCCCC 34a_200016276170_100000039644 [0,2,0,0,0,0|1,0,1]=4 10570 B14R0.392 C=COCCOC/C=C/CCCCCC 7a_200016276170_100000039644 [0,2,0,0,0,0|1,0,1]=4 10571 B14R0.392 C=COCCOCC#CCCCCCC 34a_200000037284_100000039644 [0,2,0,0,0,0|1,0,1]=4 10572 B14R0.392 C=COCCOCC#CCCCCCC 7a_200000037284_100000039644 [0,2,0,0,0,0|1,0,1]=4 10573 B14R0.392 C=COCCOCC/C=C\CCCCC 34a_100016277358_100000039644 [0,2,0,0,0,0|1,0,1]=4 10574 B14R0.392 C=COCCOCC/C=C\CCCCC 7a_100016277358_100000039644 [0,2,0,0,0,0|1,0,1]=4 10575 B14R0.392 C=COCCOCCC#CCCCCC 34a_200000042877_100000039644 [0,2,0,0,0,0|1,0,1]=4 10576 B14R0.392 C=COCCOCCC#CCCCCC 7a_200000042877_100000039644 [0,2,0,0,0,0|1,0,1]=4 10577 B14R0.392 C=COCCOCCCC#CCCCC 34a_100000033082_200000047210 [0,2,0,0,0,0|1,0,1]=4 10578 B14R0.392 C=COCCOCCCCC/C=C\CC 34a_100016268722_100000039644 [0,2,0,0,0,0|1,0,1]=4 10579 B14R0.392 C=COCCOCCCCC/C=C\CC 7a_100016268722_100000039644 [0,2,0,0,0,0|1,0,1]=4 10580 B14R0.392 C=COCCOCCCCCCCCBr 34a_100009813846_100000039644 [0,2,0,0,0,0|1,0,0]=3 10581 B14R0.392 C=COCCOCCCCCCCCBr 7a_100009813846_100000039644 [0,2,0,0,0,0|1,0,0]=3 10582 B14R0.392 C=COCCOCCCCCCCCC 34a_100000033082_100011214924 [0,2,0,0,0,0|1,0,0]=3 10583 B14R0.392 C=COCCOCCCCCCCCC 34a_100000210712_100000039644 [0,2,0,0,0,0|1,0,0]=3 10584 B14R0.392 C=COCCOCCCCCCCCC 7a_100000210712_100000039644 [0,2,0,0,0,0|1,0,0]=3 10585 B14R0.392 C=COCCOCCCCCCCCCl 34a_100000033203_100000039644 [0,2,0,0,0,0|1,0,0]=3 10586 B14R0.392 C=COCCOCCCCCCCCCl 7a_100000033203_100000039644 [0,2,0,0,0,0|1,0,0]=3 10587 B14R0.392 C=COCCOCCCCCCCCN 34a_102515433106_100000039644 [0,2,0,0,0,0|1,0,0]=3 10588 B14R0.392 C=COCCOCCCCCCCCO 34a_100000033082_100000033203 [0,2,0,0,0,0|1,0,0]=3 10589 B14R0.392 C=COCCOCCCCCNCCN 34a_103619048469_100000039644 [0,2,0,0,0,0|2,0,0]=4 10590 B14R0.392 C=COCCOCCCCNCCCC 34a_200011216965_100000039644 [0,2,0,0,0,0|1,0,0]=3 10591 B14R0.392 C=COCCOCCCCOCCCC 34a_200000760531_100000039644 [0,2,0,0,0,0|1,0,0]=3 10592 B14R0.392 C=COCCOCCCCOCCCC 7a_200000760531_100000039644 [0,2,0,0,0,0|1,0,0]=3 10593 B14R0.392 C=COCCOCCCOCCCOC 34a_200011215475_100000039644 [0,2,0,0,0,0|2,0,0]=4 10594 B14R0.392 C=COCCOCCCOCCCOC 7a_200011215475_100000039644 [0,2,0,0,0,0|2,0,0]=4 10595 B14R0.392 C=COCCOCCOCCCCCC 34a_100000039918_100000210314 [0,2,0,0,0,0|1,0,0]=3 10596 B14R0.392 C=COCCOCCOCCCCCC 34a_100000691444_100000039644 [0,2,0,0,0,0|1,0,0]=3 10597 B14R0.392 C=COCCOCCOCCCCCC 7a_100000039918_100000210314 [0,2,0,0,0,0|1,0,0]=3 10598 B14R0.392 C=COCCOCCOCCCCCC 7a_100000691444_100000039644 [0,2,0,0,0,0|1,0,0]=3 10599 B14R0.392 C=COCCOCCOCCCCCF 34a_100000039918_100000729378 [0,2,0,0,0,0|2,0,0]=4 10600 B14R0.392 C=COCCOCCOCCCCCF 7a_100000039918_100000729378 [0,2,0,0,0,0|2,0,0]=4 10601 B14R0.392 C=COCCOCCOCCCCCO 34a_100000039918_100000746330 [0,2,0,0,0,0|2,0,0]=4 10602 B14R0.392 C=COCCOCCOCCCCCO 7a_100000039918_100000746330 [0,2,0,0,0,0|2,0,0]=4 10603 B14R0.392 C=COCCOCCOCCCCOC 34a_100000039918_100000755781 [0,2,0,0,0,0|2,0,0]=4 10604 B14R0.392 C=COCCOCCOCCCCOC 7a_100000039918_100000730899 [0,2,0,0,0,0|2,0,0]=4 10605 B14R0.392 C=COCCOCCOCCCOCC 34a_100000039918_100012232248 [0,2,0,0,0,0|2,0,0]=4 10606 B14R0.392 C=COCCOCCOCCCOCC 7a_100000039918_100012232248 [0,2,0,0,0,0|2,0,0]=4 10607 B14R0.392 C=COCCOCCOCCOCCC 34a_100000039918_100011215938 [0,2,0,0,0,0|2,0,0]=4 10608 B14R0.392 C=COCCOCCOCCOCCC 7a_100000039918_100011215938 [0,2,0,0,0,0|2,0,0]=4 10609 B14R0.392 C=COCCOCCOCOCCCC 34a_100000039918_100011995733 [0,2,0,0,0,0|2,0,0]=4 10610 B14R0.392 C=COCCSCCCC#CCCCC 62a_100000039644_200000047210 [0,2,0,0,0,0|1,0,1]=4 10611 B14R0.392 C=COCCSCCCC#CCCCC 62a_200000047210_100000039644 [0,2,0,0,0,0|1,0,1]=4 10612 B14R0.392 C=COCCSCCCCCCCCC 62a_100000039644_100000210670 [0,2,0,0,0,0|1,0,0]=3 10613 B14R0.392 C=COCCSCCCCCCCCO 62a_100000033203_100000039644 [0,2,0,0,0,0|1,0,0]=3 10614 B14R0.392 C=COCCSCCCCCCCCO 62a_100000039644_100000033203 [0,2,0,0,0,0|1,0,0]=3 10615 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000210711_100000748600 [0,2,0,0,0,0|1,0,1]=4 10616 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000761923_100000210320 [0,2,0,0,0,0|1,0,1]=4 10617 B14R0.392 CC#CCOCCCCCCCCCC 7a_100000210711_100000748600 [0,2,0,0,0,0|1,0,1]=4 10618 B14R0.392 CC/C=C/CCCOCCCCCC=O 7a_100016287902_100000139337 [0,2,0,0,0,0|1,0,1]=4 10619 B14R0.392 CC/C=C/CCCOCCCCCCC 34a_100016287902_100000210614 [0,2,0,0,0,0|2,0,0]=4 10620 B14R0.392 CC/C=C/CCCOCCCCCCC 7a_100016287902_100000210614 [0,2,0,0,0,0|2,0,0]=4 10621 B14R0.392 CC/C=C\CCCCCCCNCCC 269862a_100020643023_200025770492 [0,2,0,0,0,0|2,0,0]=4 10622 B14R0.392 CC/C=C\CCCCCNCCCCC 269862a_100000209983_100016288537 [0,2,0,0,0,0|2,0,0]=4 10623 B14R0.392 CC/C=C\CCCCCOCCCC=O 7a_100016268722_200011292268 [0,2,0,0,0,0|1,0,1]=4 10624 B14R0.392 CC/C=C\CCCCCOCCCCC 34a_100016268722_100000718602 [0,2,0,0,0,0|2,0,0]=4 10625 B14R0.392 CC/C=C\CCCCCOCCCCC 7a_100016268722_100000210326 [0,2,0,0,0,0|2,0,0]=4 10626 B14R0.392 CC/C=C\CCCCOCCCCC=O 7a_100016287862_100000139335 [0,2,0,0,0,0|1,0,1]=4 10627 B14R0.392 CC/C=C\CCCCOCCCCCC 34a_100016287862_100000210314 [0,2,0,0,0,0|2,0,0]=4 10628 B14R0.392 CC/C=C\CCCCOCCCCCC 7a_100016287862_100000210314 [0,2,0,0,0,0|2,0,0]=4 10629 B14R0.392 CC/C=C\CCNCCCCCCCC 2230a_100000229939_100015370543 [0,2,0,0,0,0|2,0,0]=4 10630 B14R0.392 CC/C=C\CCNCCCCCCCC 34a_100000229939_100015370543 [0,2,0,0,0,0|2,0,0]=4 10631 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100000210232_100015370543 [0,2,0,0,0,0|2,0,0]=4 10632 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100016288707_100000210759 [0,2,0,0,0,0|2,0,0]=4 10633 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100000210232_100015370543 [0,2,0,0,0,0|2,0,0]=4 10634 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100016288707_100000210759 [0,2,0,0,0,0|2,0,0]=4 10635 B14R0.392 CC/C=C\CNCCCCCCCCC 2230a_100000212291_100103147603 [0,2,0,0,0,0|2,0,0]=4 10636 B14R0.392 CC/C=C\CNCCCCCCCCC 34a_100000212291_100103147603 [0,2,0,0,0,0|2,0,0]=4 10637 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100000210712_100103147603 [0,2,0,0,0,0|2,0,0]=4 10638 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100016268518_100011214924 [0,2,0,0,0,0|2,0,0]=4 10639 B14R0.392 CC/C=C\COCCCCCCCCC 7a_100000210712_100103147603 [0,2,0,0,0,0|2,0,0]=4 10640 B14R0.392 CC=C=CCCOCCCCCCCC 34a_100011020354_100000210759 [0,2,0,0,0,0|2,0,0]=4 10641 B14R0.392 CC=CCCCOCCCCCCCC 34a_100020645299_100000210759 [0,2,0,0,0,0|2,0,0]=4 10642 B14R0.392 CC=CCCCOCCCCCCCO 34a_100020645299_100000760002 [0,2,0,0,0,0|2,0,0]=4 10643 B14R0.392 CC=CCCCOCCCCCCOC 34a_100020645299_100011998445 [0,2,0,0,0,0|2,0,0]=4 10644 B14R0.392 CC=CCNCCCCCCCCCC 2230a_100000684558_100000070051 [0,2,0,0,0,0|2,0,0]=4 10645 B14R0.392 CC=CCNCCCCCCCCCC 34a_100000684558_100000070051 [0,2,0,0,0,0|2,0,0]=4 10646 B14R0.392 CC=CCNCCCCCCCCCO 2230a_100000078944_100000070051 [0,2,0,0,0,0|2,0,0]=4 10647 B14R0.392 CC=CCNCCCCCCCCCO 34a_100000078944_100000070051 [0,2,0,0,0,0|2,0,0]=4 10648 B14R0.392 CC=CCOCCCCCCCCCBr 34a_100009813782_100000070051 [0,2,0,0,0,0|2,0,0]=4 10649 B14R0.392 CC=CCOCCCCCCCCCBr 7a_100009813782_100000070051 [0,2,0,0,0,0|2,0,0]=4 10650 B14R0.392 CC=CCOCCCCCCCCCC 34a_100000210711_100000070051 [0,2,0,0,0,0|1,0,0]=3 10651 B14R0.392 CC=CCOCCCCCCCCCC 7a_100000210711_100000070051 [0,2,0,0,0,0|1,0,0]=3 10652 B14R0.392 CC=CCOCCCCCCCCCCl 34a_100009868337_100000070051 [0,2,0,0,0,0|2,0,0]=4 10653 B14R0.392 CC=CCOCCCCCCCCCCl 7a_100009868337_100000070051 [0,2,0,0,0,0|2,0,0]=4 10654 B14R0.392 CC=CCOCCCCCCCCCN 34a_100000078944_100000070051 [0,2,0,0,0,0|2,0,0]=4 10655 B14R0.392 CC=CCSCCCCCCCCCO 62a_100000070051_100009813782 [0,2,0,0,0,0|2,0,0]=4 10656 B14R0.392 CC=CCSCCCCCCCCCO 62a_100009813782_100000070051 [0,2,0,0,0,0|2,0,0]=4 10657 B14R0.392 CCC#CCCCCCCCCOCC 34a_200000031908_100000210202 [0,2,0,0,0,0|1,0,1]=4 10658 B14R0.392 CCC#CCCCCCCCCOCC 7a_200000031908_100000210202 [0,2,0,0,0,0|1,0,1]=4 10659 B14R0.392 CCC#CCCCCCCCCOCF 34a_200000031908_100015361967 [0,2,0,0,0,0|1,0,1]=4 10660 B14R0.392 CCC#CCCCCCCCCOCF 7a_200000031908_100015361967 [0,2,0,0,0,0|1,0,1]=4 10661 B14R0.392 CCCC#CCCOCCCCCC=O 7a_100000042726_100000139337 [0,2,0,0,0,0|1,0,1]=4 10662 B14R0.392 CCCC/C=C/COCCCCCC=O 7a_200016272032_100000139337 [0,2,0,0,0,0|1,0,1]=4 10663 B14R0.392 CCCC/C=C\CCOCCCCC=O 7a_200016286491_100000139335 [0,2,0,0,0,0|1,0,1]=4 10664 B14R0.392 CCCCC#CCCCCCCOCC 34a_100121572206_200000043322 [0,2,0,0,0,0|1,0,1]=4 10665 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200000047210_200011292268 [0,2,0,0,0,0|1,0,1]=4 10666 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200011292268_200000047210 [0,2,0,0,0,0|1,0,1]=4 10667 B14R0.392 CCCCC#CCCOCCCCC=O 7a_100000037610_100000139335 [0,2,0,0,0,0|1,0,1]=4 10668 B14R0.392 CCCCC#CCOCCCCCC=O 7a_200000034558_100000139337 [0,2,0,0,0,0|1,0,1]=4 10669 B14R0.392 CCCCC/C=C/COCCCCC=O 7a_100016258190_100000139335 [0,2,0,0,0,0|1,0,1]=4 10670 B14R0.392 CCCCC/C=C\CCOCCCC=O 7a_100016277358_200011292268 [0,2,0,0,0,0|1,0,1]=4 10671 B14R0.392 CCCCCC#CCCOCCCC=O 7a_200000042877_200011292268 [0,2,0,0,0,0|1,0,1]=4 10672 B14R0.392 CCCCCC#CCOCCCCC=O 7a_200000033628_100000139335 [0,2,0,0,0,0|1,0,1]=4 10673 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100000139335_100009816472 [0,2,0,0,0,0|1,0,1]=4 10674 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100009816472_100000139335 [0,2,0,0,0,0|1,0,1]=4 10675 B14R0.392 CCCCCC/C=C/COCCCC=O 7a_200016276170_200011292268 [0,2,0,0,0,0|1,0,1]=4 10676 B14R0.392 CCCCCCC#CCOCCCC=O 7a_200000037284_200011292268 [0,2,0,0,0,0|1,0,1]=4 10677 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [0,2,0,0,0,0|0,0,1]=3 10678 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [0,2,0,0,0,0|0,0,1]=3 10679 B14R0.392 CCCCCCCCC/C=C/COCC 34a_100015232335_100000210202 [0,2,0,0,0,0|1,0,1]=4 10680 B14R0.392 CCCCCCCCC/C=C/COCC 7a_100015232335_100000210202 [0,2,0,0,0,0|1,0,1]=4 10681 B14R0.392 CCCCCCCCC/C=C/COCF 34a_100015232335_100015361967 [0,2,0,0,0,0|1,0,1]=4 10682 B14R0.392 CCCCCCCCC/C=C/COCF 7a_100015232335_100015361967 [0,2,0,0,0,0|1,0,1]=4 10683 B14R0.392 CCCCCCCCCC/C=C/COC 34a_200025761149_200000210301 [0,2,0,0,0,0|1,0,1]=4 10684 B14R0.392 CCCCCCCCCC/C=C/COC 7a_200025761149_200000210301 [0,2,0,0,0,0|1,0,1]=4 10685 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 34a_200025761149_200025704644 [0,2,0,0,0,0|1,0,1]=4 10686 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 7a_200025761149_200025704644 [0,2,0,0,0,0|1,0,1]=4 10687 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [0,2,0,0,0,0|1,0,1]=4 10688 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [0,2,0,0,0,0|1,0,1]=4 10689 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [0,2,0,0,0,0|1,0,1]=4 10690 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [0,2,0,0,0,0|1,0,1]=4 10691 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [0,2,0,0,0,0|1,0,1]=4 10692 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [0,2,0,0,0,0|1,0,0]=3 10693 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [0,2,0,0,0,0|1,0,0]=3 10694 B14R0.392 CCCCCCCCCCCOCC#N 7a_100000210809_100011215382 [0,2,0,0,0,0|1,0,1]=4 10695 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [0,2,0,0,0,0|0,0,0]=2 10696 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [0,2,0,0,0,0|0,0,0]=2 10697 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [0,2,0,0,0,0|1,0,1]=4 10698 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [0,2,0,0,0,0|1,0,1]=4 10699 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [0,2,0,0,0,0|1,0,1]=4 10700 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [0,2,0,0,0,0|1,0,1]=4 10701 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [0,2,0,0,0,0|1,0,1]=4 10702 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [0,2,0,0,0,0|1,0,1]=4 10703 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [0,2,0,0,0,0|1,0,1]=4 10704 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [0,2,0,0,0,0|0,0,2]=4 10705 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [0,2,0,0,0,0|0,0,2]=4 10706 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [0,2,0,0,0,0|0,1,1]=4 10707 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [0,2,0,0,0,0|0,1,0]=3 10708 B14R0.392 CCCCCCCCCCOCCC#N 7a_100000210711_100000184422 [0,2,0,0,0,0|1,0,1]=4 10709 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [0,2,0,0,0,0|1,0,1]=4 10710 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [0,2,0,0,0,0|1,0,1]=4 10711 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [0,2,0,0,0,0|1,0,1]=4 10712 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [0,2,0,0,0,0|1,0,1]=4 10713 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [0,2,0,0,0,0|1,0,1]=4 10714 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [0,2,0,0,0,0|1,0,1]=4 10715 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [0,2,0,0,0,0|1,0,1]=4 10716 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [0,2,0,0,0,0|1,0,1]=4 10717 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [0,2,0,0,0,0|1,0,1]=4 10718 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [0,2,0,0,0,0|1,0,1]=4 10719 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [0,2,0,0,0,0|0,0,2]=4 10720 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [0,2,0,0,0,0|0,0,2]=4 10721 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [0,2,0,0,0,0|0,0,2]=4 10722 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [0,2,0,0,0,0|0,0,2]=4 10723 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [0,2,0,0,0,0|0,0,2]=4 10724 B14R0.392 CCCCCCCCCCOCCON 34a_100000700252_100000210320 [0,2,0,0,0,0|0,0,2]=4 10725 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [0,2,0,0,0,0|0,1,1]=4 10726 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [0,2,0,0,0,0|0,1,1]=4 10727 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [0,2,0,0,0,0|0,1,1]=4 10728 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [0,2,0,0,0,0|0,1,1]=4 10729 B14R0.392 CCCCCCCCCCSCOCC 62a_100000739092_100000210320 [0,2,0,0,0,0|1,0,1]=4 10730 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [0,2,0,0,0,0|1,0,0]=3 10731 B14R0.392 CCCCCCCCCNCCOCC 2230a_100000212291_100011215890 [0,2,0,0,0,0|1,0,1]=4 10732 B14R0.392 CCCCCCCCCNCCOCC 2230a_102516460346_100011214924 [0,2,0,0,0,0|1,0,1]=4 10733 B14R0.392 CCCCCCCCCNCCOCC 34a_100000212291_100000210147 [0,2,0,0,0,0|1,0,1]=4 10734 B14R0.392 CCCCCCCCCNCCOCC 34a_102516460346_100011214924 [0,2,0,0,0,0|1,0,1]=4 10735 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [0,2,0,0,0,0|1,0,0]=3 10736 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210136_100011214924 [0,2,0,0,0,0|1,0,1]=4 10737 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210712_100000210147 [0,2,0,0,0,0|1,0,1]=4 10738 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210136_100000210328 [0,2,0,0,0,0|1,0,1]=4 10739 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210712_100011215890 [0,2,0,0,0,0|1,0,1]=4 10740 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [0,2,0,0,0,0|1,0,0]=3 10741 B14R0.392 CCCCCCCCCSCCOCC 62a_100000210147_100000210670 [0,2,0,0,0,0|1,0,1]=4 10742 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [0,2,0,0,0,0|1,0,0]=3 10743 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000210961_100000210759 [0,2,0,0,0,0|1,0,1]=4 10744 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000229939_100012232248 [0,2,0,0,0,0|1,0,1]=4 10745 B14R0.392 CCCCCCCCNCCCOCC 34a_100000210961_100000210759 [0,2,0,0,0,0|1,0,1]=4 10746 B14R0.392 CCCCCCCCNCCCOCC 34a_100000229939_100012232248 [0,2,0,0,0,0|1,0,1]=4 10747 B14R0.392 CCCCCCCCNCCOCC#N 2230a_100000229939_200000047693 [0,2,0,0,0,0|1,0,1]=4 10748 B14R0.392 CCCCCCCCNCCOCCC 2230a_100000229939_100011215938 [0,2,0,0,0,0|1,0,1]=4 10749 B14R0.392 CCCCCCCCNCCOCCC 2230a_100161115042_100000210759 [0,2,0,0,0,0|1,0,1]=4 10750 B14R0.392 CCCCCCCCNCCOCCC 34a_100000229939_100011215938 [0,2,0,0,0,0|1,0,1]=4 10751 B14R0.392 CCCCCCCCNCCOCCC 34a_100161115042_100000210759 [0,2,0,0,0,0|1,0,1]=4 10752 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [0,2,0,0,0,0|0,0,2]=4 10753 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [0,2,0,0,0,0|0,0,2]=4 10754 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [0,2,0,0,0,0|0,0,2]=4 10755 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [0,2,0,0,0,0|0,0,2]=4 10756 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [0,2,0,0,0,0|1,0,0]=3 10757 B14R0.392 CCCCCCCCOCCCOCC 34a_100000210232_100012232248 [0,2,0,0,0,0|1,0,1]=4 10758 B14R0.392 CCCCCCCCOCCCOCC 34a_100000757476_100000210759 [0,2,0,0,0,0|1,0,1]=4 10759 B14R0.392 CCCCCCCCOCCCOCC 7a_100000210232_100012232248 [0,2,0,0,0,0|1,0,1]=4 10760 B14R0.392 CCCCCCCCOCCCOCC 7a_100000757476_100000210759 [0,2,0,0,0,0|1,0,1]=4 10761 B14R0.392 CCCCCCCCOCCOCC#N 7a_100000210232_200000047693 [0,2,0,0,0,0|1,0,1]=4 10762 B14R0.392 CCCCCCCCOCCOCCBr 34a_100000692535_100000210759 [0,2,0,0,0,0|1,0,1]=4 10763 B14R0.392 CCCCCCCCOCCOCCBr 7a_100000692535_100000210759 [0,2,0,0,0,0|1,0,1]=4 10764 B14R0.392 CCCCCCCCOCCOCCC 34a_100000210232_100011215938 [0,2,0,0,0,0|1,0,1]=4 10765 B14R0.392 CCCCCCCCOCCOCCC 34a_100000752267_100000210759 [0,2,0,0,0,0|1,0,1]=4 10766 B14R0.392 CCCCCCCCOCCOCCC 7a_100000210232_100011215938 [0,2,0,0,0,0|1,0,1]=4 10767 B14R0.392 CCCCCCCCOCCOCCC 7a_100000752267_100000210759 [0,2,0,0,0,0|1,0,1]=4 10768 B14R0.392 CCCCCCCCOCCOCCCl 34a_100011215305_100000210759 [0,2,0,0,0,0|1,0,1]=4 10769 B14R0.392 CCCCCCCCOCCOCCCl 7a_100011215305_100000210759 [0,2,0,0,0,0|1,0,1]=4 10770 B14R0.392 CCCCCCCCOCCOCCF 34a_200015357709_100000210759 [0,2,0,0,0,0|1,0,1]=4 10771 B14R0.392 CCCCCCCCOCCOCCF 7a_200015357709_100000210759 [0,2,0,0,0,0|1,0,1]=4 10772 B14R0.392 CCCCCCCCOCCOCCI 34a_100012149058_100000210759 [0,2,0,0,0,0|1,0,1]=4 10773 B14R0.392 CCCCCCCCOCCOCCI 7a_100012149058_100000210759 [0,2,0,0,0,0|1,0,1]=4 10774 B14R0.392 CCCCCCCCOCCOCCN 34a_100000211614_100000210759 [0,2,0,0,0,0|1,0,1]=4 10775 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [0,2,0,0,0,0|0,0,2]=4 10776 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [0,2,0,0,0,0|0,0,2]=4 10777 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [0,2,0,0,0,0|1,0,0]=3 10778 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [0,2,0,0,0,0|1,0,0]=3 10779 B14R0.392 CCCCCCCCSCCCOCC 62a_100000210759_100012232248 [0,2,0,0,0,0|1,0,1]=4 10780 B14R0.392 CCCCCCCCSCCCOCC 62a_100012232248_100000210317 [0,2,0,0,0,0|1,0,1]=4 10781 B14R0.392 CCCCCCCCSCCOCC#N 62a_100000210759_200000047693 [0,2,0,0,0,0|1,0,1]=4 10782 B14R0.392 CCCCCCCCSCCOCC#N 62a_200000047693_100000210317 [0,2,0,0,0,0|1,0,1]=4 10783 B14R0.392 CCCCCCCCSCCOCCC 62a_100000210759_100011215938 [0,2,0,0,0,0|1,0,1]=4 10784 B14R0.392 CCCCCCCCSCCOCCC 62a_100011215938_100000210317 [0,2,0,0,0,0|1,0,1]=4 10785 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [0,2,0,0,0,0|0,0,2]=4 10786 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [0,2,0,0,0,0|0,0,2]=4 10787 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [0,2,0,0,0,0|1,0,0]=3 10788 B14R0.392 CCCCCCCNCCCOCCC 2230a_100011217757_100000210681 [0,2,0,0,0,0|1,0,1]=4 10789 B14R0.392 CCCCCCCNCCCOCCC 34a_100011217757_100000210614 [0,2,0,0,0,0|1,0,1]=4 10790 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [0,2,0,0,0,0|1,0,0]=3 10791 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [0,2,0,0,0,0|1,0,0]=3 10792 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [0,2,0,0,0,0|1,0,0]=3 10793 B14R0.392 CCCCCCNCCOCCOCC 2230a_100000210581_100011211534 [0,2,0,0,0,0|1,0,1]=4 10794 B14R0.392 CCCCCCNCCOCCOCC 2230a_100102712874_100000210314 [0,2,0,0,0,0|1,0,1]=4 10795 B14R0.392 CCCCCCNCCOCCOCC 34a_100102712874_100000210314 [0,2,0,0,0,0|1,0,1]=4 10796 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [0,2,0,0,0,0|1,0,0]=3 10797 B14R0.392 CCCCCCOCCOCCOCC 34a_100000032842_100000210202 [0,2,0,0,0,0|1,0,1]=4 10798 B14R0.392 CCCCCCOCCOCCOCC 34a_100000210240_100000210314 [0,2,0,0,0,0|1,0,1]=4 10799 B14R0.392 CCCCCCOCCOCCOCC 34a_100000210259_100011211534 [0,2,0,0,0,0|1,0,1]=4 10800 B14R0.392 CCCCCCOCCOCCOCC 34a_100000691444_100000210147 [0,2,0,0,0,0|1,0,1]=4 10801 B14R0.392 CCCCCCOCCOCCOCC 7a_100000032842_100000210202 [0,2,0,0,0,0|1,0,1]=4 10802 B14R0.392 CCCCCCOCCOCCOCC 7a_100000210240_100000210314 [0,2,0,0,0,0|1,0,1]=4 10803 B14R0.392 CCCCCCOCCOCCOCC 7a_100000210259_100011211534 [0,2,0,0,0,0|1,0,1]=4 10804 B14R0.392 CCCCCCOCCOCCOCC 7a_100000691444_100011215890 [0,2,0,0,0,0|1,0,1]=4 10805 B14R0.392 CCCCCCOCCOCCOCF 34a_100000032842_100015361967 [0,2,0,0,0,0|1,0,1]=4 10806 B14R0.392 CCCCCCOCCOCCOCF 7a_100000032842_100015361967 [0,2,0,0,0,0|1,0,1]=4 10807 B14R0.392 CCCCCCSCCOCCOCC 62a_100000210314_100011211534 [0,2,0,0,0,0|1,0,1]=4 10808 B14R0.392 CCCCCCSCCOCCOCC 62a_100011211534_100000210757 [0,2,0,0,0,0|1,0,1]=4 10809 B14R0.392 CCCCCNCCOCCCOCC 34a_100000224656_100012232248 [0,2,0,0,0,0|1,0,1]=4 10810 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [0,2,0,0,0,0|1,0,0]=3 10811 B14R0.392 CCCCCOCCOCCCOCC 34a_100011215259_100012232248 [0,2,0,0,0,0|1,0,1]=4 10812 B14R0.392 CCCCCOCCOCCCOCC 7a_100011215259_100012232248 [0,2,0,0,0,0|1,0,1]=4 10813 B14R0.392 CCCCNCCCCOCCOCC 34a_200011216965_100000210147 [0,2,0,0,0,0|1,0,1]=4 10814 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [0,2,0,0,0,0|1,0,0]=3 10815 B14R0.392 CCCCOCCCCOCCOCC 34a_200000760531_100000210147 [0,2,0,0,0,0|1,0,1]=4 10816 B14R0.392 CCCCOCCCCOCCOCC 7a_200000760531_100011215890 [0,2,0,0,0,0|1,0,1]=4 10817 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [0,2,0,0,0,0|1,0,0]=3 10818 B14R0.392 CCCCOCCCNCCCOCC 2230a_200000211371_100012232248 [0,2,0,0,0,0|1,0,1]=4 10819 B14R0.392 CCCCOCCCNCCCOCC 34a_200000211371_100012232248 [0,2,0,0,0,0|1,0,1]=4 10820 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [0,2,0,0,0,0|1,0,0]=3 10821 B14R0.392 CCCCOCCCOCCCOCC 34a_200011215613_100012232248 [0,2,0,0,0,0|1,0,1]=4 10822 B14R0.392 CCCCOCCCOCCCOCC 7a_200011215613_100012232248 [0,2,0,0,0,0|1,0,1]=4 10823 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [0,2,0,0,0,0|1,0,0]=3 10824 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [0,2,0,0,0,0|1,0,0]=3 10825 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [0,2,0,0,0,0|1,0,0]=3 10826 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [0,2,0,0,0,0|1,0,0]=3 10827 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [0,2,0,0,0,0|1,0,0]=3 10828 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [0,2,0,0,0,0|1,0,1]=4 10829 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [0,2,0,0,0,0|1,0,1]=4 10830 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [0,2,0,0,0,0|1,0,1]=4 10831 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [0,2,0,0,0,0|1,0,1]=4 10832 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [0,2,0,0,0,0|1,0,1]=4 10833 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [0,2,0,0,0,0|1,0,1]=4 10834 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [0,2,0,0,0,0|1,0,0]=3 10835 B14R0.392 CCCOCCOCCNCCCC=O 2230a_200011904461_200011292268 [0,2,0,0,0,0|2,0,0]=4 10836 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [0,2,0,0,0,0|1,0,1]=4 10837 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [0,2,0,0,0,0|1,0,1]=4 10838 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [0,2,0,0,0,0|1,0,1]=4 10839 B14R0.392 CCOCCCCCCCCCOCC 34a_100009875440_100000210202 [0,2,0,0,0,0|1,0,1]=4 10840 B14R0.392 CCOCCCCCCCCCOCC 7a_100009875440_100000210202 [0,2,0,0,0,0|1,0,1]=4 10841 B14R0.392 CCOCCCCCCCCCOCF 34a_100009875440_100015361967 [0,2,0,0,0,0|1,0,1]=4 10842 B14R0.392 CCOCCCCCCCCCOCF 7a_100009875440_100015361967 [0,2,0,0,0,0|1,0,1]=4 10843 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [0,2,0,0,0,0|1,0,1]=4 10844 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [0,2,0,0,0,0|1,0,1]=4 10845 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [0,2,0,0,0,0|1,0,1]=4 10846 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [0,2,0,0,0,0|1,0,1]=4 10847 B14R0.392 CCOCCCNCCCCCCOC 2230a_100000210961_100011998445 [0,2,0,0,0,0|1,0,1]=4 10848 B14R0.392 CCOCCCNCCCCCCOC 34a_100000210961_100011998445 [0,2,0,0,0,0|1,0,1]=4 10849 B14R0.392 CCOCCCOCCCCCCCBr 34a_100000760002_100012232248 [0,2,0,0,0,0|1,0,1]=4 10850 B14R0.392 CCOCCCOCCCCCCCBr 7a_100000760002_100012232248 [0,2,0,0,0,0|1,0,1]=4 10851 B14R0.392 CCOCCCOCCCCCCCN 34a_100011996573_100012232248 [0,2,0,0,0,0|1,0,1]=4 10852 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [0,2,0,0,0,0|1,0,1]=4 10853 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [0,2,0,0,0,0|1,0,1]=4 10854 B14R0.392 CCOCCCOCCCCCCOC 34a_100000757476_100011998445 [0,2,0,0,0,0|1,0,1]=4 10855 B14R0.392 CCOCCCOCCCCCCOC 34a_200012092642_100012232248 [0,2,0,0,0,0|1,0,1]=4 10856 B14R0.392 CCOCCCOCCCCCCOC 7a_100000757476_100011998445 [0,2,0,0,0,0|1,0,1]=4 10857 B14R0.392 CCOCCCOCCCCCCOC 7a_200012092642_100012232248 [0,2,0,0,0,0|1,0,1]=4 10858 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [0,2,0,0,0,0|1,0,1]=4 10859 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [0,2,0,0,0,0|1,0,1]=4 10860 B14R0.392 CCOCCCSCCCCCCOC 62a_100011998445_100012232248 [0,2,0,0,0,0|1,0,1]=4 10861 B14R0.392 CCOCCCSCCCCCCOC 62a_100012232248_100011998445 [0,2,0,0,0,0|1,0,1]=4 10862 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [0,2,0,0,0,0|1,0,1]=4 10863 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [0,2,0,0,0,0|1,0,1]=4 10864 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [0,2,0,0,0,0|1,0,1]=4 10865 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [0,2,0,0,0,0|1,0,1]=4 10866 B14R0.392 CCOCCOCCCCCCCCBr 34a_100009813846_100000210147 [0,2,0,0,0,0|1,0,1]=4 10867 B14R0.392 CCOCCOCCCCCCCCBr 7a_100009813846_100011215890 [0,2,0,0,0,0|1,0,1]=4 10868 B14R0.392 CCOCCOCCCCCCCCCl 34a_100000033203_100000210147 [0,2,0,0,0,0|1,0,1]=4 10869 B14R0.392 CCOCCOCCCCCCCCCl 7a_100000033203_100011215890 [0,2,0,0,0,0|1,0,1]=4 10870 B14R0.392 CCOCCOCCCCCCCCN 34a_102515433106_100000210147 [0,2,0,0,0,0|1,0,1]=4 10871 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [0,2,0,0,0,0|1,0,1]=4 10872 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [0,2,0,0,0,0|1,0,1]=4 10873 B14R0.392 CCOCCOCCNCCCCC=O 2230a_100102712874_100000139335 [0,2,0,0,0,0|2,0,0]=4 10874 B14R0.392 CCOCCOCCOCCCCC=O 7a_100000210240_100000139335 [0,2,0,0,0,0|2,0,0]=4 10875 B14R0.392 CCOCCOCCOCCOCC=O 34a_100000033264_200009817547 [0,2,0,0,0,0|2,0,0]=4 10876 B14R0.392 CCOCCOCCOCCOCC=O 7a_100000033264_200015260668 [0,2,0,0,0,0|2,0,0]=4 10877 B14R0.392 CCOCCOCCSCCCCC=O 62a_100000139335_100011211534 [0,2,0,0,0,0|2,0,0]=4 10878 B14R0.392 CCOCCOCCSCCCCC=O 62a_100011211534_100000139335 [0,2,0,0,0,0|2,0,0]=4 10879 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [0,2,0,0,0,0|1,0,1]=4 10880 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [0,2,0,0,0,0|1,0,1]=4 10881 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [0,2,0,0,0,0|1,0,1]=4 10882 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [0,2,0,0,0,0|1,0,1]=4 10883 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [0,2,0,0,0,0|1,0,0]=3 10884 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [0,2,0,0,0,0|1,0,0]=3 10885 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [0,2,0,0,0,0|1,0,0]=3 10886 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [0,2,0,0,0,0|1,0,0]=3 10887 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [0,2,0,0,0,0|2,0,0]=4 10888 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [0,2,0,0,0,0|2,0,0]=4 10889 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [0,2,0,0,0,0|2,0,0]=4 10890 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [0,2,0,0,0,0|2,0,0]=4 10891 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [0,2,0,0,0,0|2,0,0]=4 10892 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [0,2,0,0,0,0|2,0,0]=4 10893 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [0,2,0,0,0,0|2,0,0]=4 10894 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [0,2,0,0,0,0|2,0,0]=4 10895 B14R0.392 CSCOCCCCCCCCCCBr 34a_100009813290_100011218213 [0,2,0,0,0,0|0,1,1]=4 10896 B14R0.392 CSCOCCCCCCCCCCCl 34a_200000033068_100011218213 [0,2,0,0,0,0|0,1,1]=4 10897 B14R0.392 CSCOCCCCCCCCCCN 34a_100000066964_100011218213 [0,2,0,0,0,0|0,1,1]=4 10898 B14R0.392 FCCOCCCCCCCCCCBr 34a_100009813290_100011217306 [0,2,0,0,0,0|1,0,1]=4 10899 B14R0.392 FCCOCCCCCCCCCCBr 7a_100009813290_100011217306 [0,2,0,0,0,0|1,0,1]=4 10900 B14R0.392 FCCOCCCCCCCCCCCl 34a_200000033068_100011217306 [0,2,0,0,0,0|1,0,1]=4 10901 B14R0.392 FCCOCCCCCCCCCCCl 7a_200000033068_100011217306 [0,2,0,0,0,0|1,0,1]=4 10902 B14R0.392 FCOCCCCCCCCCCCBr 34a_100009812471_100015361967 [0,2,0,0,0,0|1,0,1]=4 10903 B14R0.392 FCOCCCCCCCCCCCBr 7a_100009812471_100015361967 [0,2,0,0,0,0|1,0,1]=4 10904 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [0,2,0,0,0,0|1,0,1]=4 10905 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [0,2,0,0,0,0|1,0,1]=4 10906 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [0,2,0,0,0,0|1,0,1]=4 10907 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [0,2,0,0,0,0|1,0,1]=4 10908 B14R0.392 N#CCOCCCCCCCCCCBr 7a_100009813290_100011215382 [0,2,0,0,0,0|1,0,1]=4 10909 B14R0.392 N#CCOCCCCCCCCCCCl 7a_200000033068_100011215382 [0,2,0,0,0,0|1,0,1]=4 10910 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [0,2,0,0,0,0|0,0,0]=2 10911 B14R0.392 NCCCCCCCCCCOCCF 34a_100000066964_100011217306 [0,2,0,0,0,0|1,0,1]=4 10912 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [0,2,0,0,0,0|0,0,2]=4 10913 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [0,2,0,0,0,0|1,0,1]=4 10914 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [0,2,0,0,0,0|1,0,0]=3 10915 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [0,2,0,0,0,0|1,0,0]=3 10916 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [0,2,0,0,0,0|1,0,0]=3 10917 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [0,2,0,0,0,0|1,0,0]=3 10918 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [0,2,0,0,0,0|1,0,1]=4 10919 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [0,2,0,0,0,0|1,0,0]=3 10920 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [0,2,0,0,0,0|1,0,0]=3 10921 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [0,2,0,0,0,0|1,0,0]=3 10922 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [0,2,0,0,0,0|1,0,0]=3 10923 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [0,2,0,0,0,0|1,0,0]=3 10924 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [0,2,0,0,0,0|2,0,0]=4 10925 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [0,2,0,0,0,0|1,0,0]=3 10926 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [0,2,0,0,0,0|1,0,0]=3 10927 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [0,2,0,0,0,0|1,0,0]=3 10928 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [0,2,0,0,0,0|1,0,0]=3 10929 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [0,2,0,0,0,0|1,0,0]=3 10930 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [0,2,0,0,0,0|1,0,0]=3 10931 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [0,2,0,0,0,0|1,0,0]=3 10932 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [0,2,0,0,0,0|1,0,0]=3 10933 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [0,2,0,0,0,0|1,0,0]=3 10934 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [0,2,0,0,0,0|1,0,0]=3 10935 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [0,2,0,0,0,0|0,0,0]=2 10936 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [0,2,0,0,0,0|0,0,0]=2 10937 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [0,2,0,0,0,0|0,0,0]=2 10938 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [0,2,0,0,0,0|0,0,0]=2 10939 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [0,2,0,0,0,0|0,1,0]=3 10940 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [0,2,0,0,0,0|0,1,0]=3 10941 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [0,2,0,0,0,0|1,0,1]=4 10942 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [0,2,0,0,0,0|0,0,2]=4 10943 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [0,2,0,0,0,0|0,0,2]=4 10944 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [0,2,0,0,0,0|0,0,2]=4 10945 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [0,2,0,0,0,0|0,0,2]=4 10946 B14R0.86 C#CC(CCCCC)OCCCCC=O 7a_100011216489_100000139335 [0,2,0,0,0,0|2,0,0]=4 10947 B14R0.86 C=CC(CCCCC)OCCCCC=O 7a_100011216863_100000139335 [0,2,0,0,0,0|2,0,0]=4 10948 B14R0.86 C=COCCCNC(CC)CCCCC 270004a_100000210767_100011215316 [0,2,0,0,0,0|2,0,0]=4 10949 B14R0.86 C=COCCN(CC)CCCCCCC 2230a_100000228213_100000039644 [0,2,0,0,0,0|2,0,0]=4 10950 B14R0.86 C=COCCN(CC)CCCCCCC 269982a_100000228213_100000039644 [0,2,0,0,0,0|2,0,0]=4 10951 B14R0.86 CCCCCC(CC)OCCCCC=O 7a_100011215405_100000139335 [0,2,0,0,0,0|2,0,0]=4 10952 B14R0.86 CCCCCCCN(CC)CCCC=O 2230a_100000228213_200011292268 [0,2,0,0,0,0|2,0,0]=4 10953 B14R0.86 CCCCCCCN(CC)CCCC=O 269982a_100000228213_200011292268 [0,2,0,0,0,0|2,0,0]=4 10954 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [1,0,0,1,0,0|2,0,0]=4 10955 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [1,0,0,1,0,0|2,0,0]=4 10956 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [1,0,0,1,0,0|2,0,0]=4 10957 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [1,0,0,1,0,0|2,0,0]=4 10958 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [1,0,0,1,0,0|2,0,0]=4 10959 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [1,0,0,1,0,0|2,0,0]=4 10960 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [1,0,0,1,0,0|2,0,0]=4 10961 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [1,0,0,1,0,0|2,0,0]=4 10962 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [1,0,0,1,0,0|2,0,0]=4 10963 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [1,0,0,1,0,0|2,0,0]=4 10964 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [1,0,0,1,0,0|2,0,0]=4 10965 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [1,0,0,1,0,0|2,0,0]=4 10966 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [1,0,0,1,0,0|2,0,0]=4 10967 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [1,0,0,1,0,0|2,0,0]=4 10968 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [1,0,0,1,0,0|2,0,0]=4 10969 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [1,0,0,1,0,0|2,0,0]=4 10970 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [1,0,0,1,0,0|2,0,0]=4 10971 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [1,0,0,1,0,0|2,0,0]=4 10972 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [1,0,0,1,0,0|2,0,0]=4 10973 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [1,0,0,1,0,0|2,0,0]=4 10974 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [1,0,0,1,0,0|2,0,0]=4 10975 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [1,0,0,1,0,0|2,0,0]=4 10976 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [1,0,0,1,0,0|2,0,0]=4 10977 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [1,0,0,1,0,0|2,0,0]=4 10978 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [1,0,0,1,0,0|2,0,0]=4 10979 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [1,0,0,1,0,0|2,0,0]=4 10980 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [1,0,0,1,0,0|2,0,0]=4 10981 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [1,0,0,1,0,0|2,0,0]=4 10982 B12R1.8 C=COCCNC1CCCCC1 2230a_100000182618_100000039644 [1,0,0,1,0,0|2,0,0]=4 10983 B12R1.8 C=COCCNC1CCCCC1 34a_100000182618_100000039644 [1,0,0,1,0,0|2,0,0]=4 10984 B12R1.8 C=COCCOC1CCCCC1 34a_100000033082_100000210327 [1,0,0,1,0,0|2,0,0]=4 10985 B12R1.8 C=COCCOC1CCCCC1 34a_100000210231_100000039644 [1,0,0,1,0,0|2,0,0]=4 10986 B12R1.8 C=COCCOC1CCCCC1 7a_100000210231_100000039644 [1,0,0,1,0,0|2,0,0]=4 10987 B12R1.8 C=COCCSC1CCCCC1 62a_100000039644_100000210327 [1,0,0,1,0,0|2,0,0]=4 10988 B12R1.8 C=COCCSC1CCCCC1 62a_100000210327_100000039644 [1,0,0,1,0,0|2,0,0]=4 10989 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [1,0,0,1,0,0|1,0,1]=4 10990 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [1,0,0,1,0,0|1,0,1]=4 10991 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [1,0,0,1,0,0|1,0,1]=4 10992 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [1,0,0,1,0,0|2,0,0]=4 10993 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [1,0,0,1,0,0|1,0,1]=4 10994 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [1,0,0,1,0,0|1,0,1]=4 10995 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [1,0,0,1,0,0|1,0,1]=4 10996 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [1,0,0,1,0,0|2,0,0]=4 10997 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [1,0,0,1,0,0|2,0,0]=4 10998 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [1,0,0,1,0,0|1,0,1]=4 10999 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [1,0,0,1,0,0|1,0,1]=4 11000 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [1,0,0,1,0,0|1,0,1]=4 11001 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [1,0,0,1,0,0|2,0,0]=4 11002 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [1,0,0,1,0,0|2,0,0]=4 11003 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [1,0,0,1,0,0|1,0,1]=4 11004 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [1,0,0,1,0,0|1,0,1]=4 11005 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [1,0,0,1,0,0|1,0,1]=4 11006 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [1,0,0,1,0,0|1,0,1]=4 11007 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [1,0,0,1,0,0|1,0,1]=4 11008 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [1,0,0,1,0,0|1,0,1]=4 11009 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [1,0,0,1,0,0|1,0,1]=4 11010 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [1,0,0,1,0,0|1,0,1]=4 11011 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [1,0,0,1,0,0|1,0,1]=4 11012 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [1,0,0,1,0,0|1,0,1]=4 11013 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [1,0,0,1,0,0|1,0,1]=4 11014 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [1,0,0,1,0,0|1,0,1]=4 11015 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [1,0,0,1,0,0|1,0,1]=4 11016 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [1,0,0,1,0,0|0,0,1]=3 11017 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [1,0,0,1,0,0|0,0,1]=3 11018 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [1,0,0,1,0,0|1,0,1]=4 11019 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [1,0,0,1,0,0|1,0,1]=4 11020 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [1,0,0,1,0,0|1,0,1]=4 11021 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [1,0,0,1,0,0|1,0,1]=4 11022 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [1,0,0,1,0,0|1,0,1]=4 11023 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [1,0,0,1,0,0|1,0,1]=4 11024 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [1,0,0,1,0,0|1,0,1]=4 11025 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [1,0,0,1,0,0|1,0,1]=4 11026 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [1,0,0,1,0,0|1,0,1]=4 11027 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [1,0,0,1,0,0|1,0,1]=4 11028 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [1,0,0,1,0,0|1,0,1]=4 11029 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [1,0,0,1,0,0|1,0,1]=4 11030 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [1,0,0,1,0,0|1,0,1]=4 11031 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [1,0,0,1,0,0|1,0,1]=4 11032 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [1,0,0,1,0,0|1,0,1]=4 11033 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [1,0,0,1,0,0|1,0,1]=4 11034 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [1,0,0,1,0,0|1,0,1]=4 11035 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [1,0,0,1,0,0|1,0,1]=4 11036 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [1,0,0,1,0,0|1,0,1]=4 11037 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [1,0,0,1,0,0|1,0,1]=4 11038 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [1,0,0,1,0,0|1,0,1]=4 11039 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [1,0,0,1,0,0|1,0,1]=4 11040 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [1,0,0,1,0,0|1,0,1]=4 11041 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [1,0,0,1,0,0|1,0,1]=4 11042 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [1,0,0,1,0,0|2,0,0]=4 11043 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 11044 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 11045 B12R1.8 O=CCCCCN1CCOCC1 2230a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 11046 B12R1.8 O=CCCCCN1CCOCC1 269982a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 11047 B12R1.8 O=CCCCCN1CCSCC1 2230a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 11048 B12R1.8 O=CCCCCN1CCSCC1 269982a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 11049 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [1,0,0,1,0,0|1,0,0]=3 11050 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [1,0,0,1,0,0|2,0,0]=4 11051 B12R1.8 O=CCCCNC1CCOCC1 2230a_100000741149_200011292268 [1,0,0,1,0,0|2,0,0]=4 11052 B12R1.8 O=CCCCNC1CCSCC1 2230a_100000748639_200011292268 [1,0,0,1,0,0|2,0,0]=4 11053 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [1,0,0,1,0,0|1,0,0]=3 11054 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [1,0,0,1,0,0|2,0,0]=4 11055 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [1,0,0,1,0,0|2,0,0]=4 11056 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [1,0,0,1,0,0|1,0,0]=3 11057 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [1,0,0,1,0,0|1,0,0]=3 11058 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [1,0,0,1,0,0|2,0,0]=4 11059 B12R1.8 O=CCCCSC1CCOCC1 62a_200011292268_100011324220 [1,0,0,1,0,0|2,0,0]=4 11060 B12R1.8 O=CCCCSC1CCSCC1 62a_200011292268_100000069128 [1,0,0,1,0,0|2,0,0]=4 11061 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [1,0,0,1,0,0|1,0,0]=3 11062 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [1,0,0,1,0,0|1,0,0]=3 11063 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [1,0,0,1,0,0|2,0,0]=4 11064 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [1,0,0,1,0,0|2,0,0]=4 11065 B12R1.8 O=CCNCCC1CCOCC1 2230a_100000755988_200015260668 [1,0,0,1,0,0|2,0,0]=4 11066 B12R1.8 O=CCNCCC1CCOCC1 34a_100000755988_200009817547 [1,0,0,1,0,0|2,0,0]=4 11067 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [1,0,0,1,0,0|1,0,0]=3 11068 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [1,0,0,1,0,0|1,0,0]=3 11069 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 11070 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [1,0,0,1,0,0|2,0,0]=4 11071 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [1,0,0,1,0,0|2,0,0]=4 11072 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [1,0,0,1,0,0|2,0,0]=4 11073 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [1,0,0,1,0,0|2,0,0]=4 11074 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [1,0,0,1,0,0|1,0,0]=3 11075 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [1,0,0,1,0,0|1,0,0]=3 11076 B12R1.8 O=CCSCCC1CCOCC1 62a_100011934994_200015260668 [1,0,0,1,0,0|2,0,0]=4 11077 B12R1.8 O=CCSCCC1CCOCC1 62a_200015260668_100011934994 [1,0,0,1,0,0|2,0,0]=4 11078 B12R1.8 O=CCSCCN1CCCCC1 62a_100000739454_200015260668 [1,0,0,1,0,0|2,0,0]=4 11079 B12R1.8 O=CCSCCN1CCCCC1 62a_200015260668_100000739454 [1,0,0,1,0,0|2,0,0]=4 11080 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [1,0,0,1,0,0|2,0,0]=4 11081 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [1,0,0,1,0,0|2,0,0]=4 11082 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [1,0,0,1,0,0|0,0,1]=3 11083 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [1,0,0,1,0,0|0,0,1]=3 11084 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [1,0,0,1,0,0|1,0,1]=4 11085 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 11086 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 11087 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [1,0,0,1,0,0|1,0,0]=3 11088 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [1,0,0,1,0,0|1,0,0]=3 11089 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [1,0,0,1,0,0|2,0,0]=4 11090 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [1,0,0,1,0,0|2,0,0]=4 11091 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [1,0,0,1,0,0|2,0,0]=4 11092 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [1,0,0,1,0,0|2,0,0]=4 11093 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [1,0,0,1,0,0|2,0,0]=4 11094 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [1,0,0,1,0,0|2,0,0]=4 11095 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [1,0,0,1,0,0|2,0,0]=4 11096 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [1,0,0,1,0,0|2,0,0]=4 11097 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [1,0,0,1,0,0|2,0,0]=4 11098 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [1,0,0,1,0,0|2,0,0]=4 11099 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [1,0,0,1,0,0|2,0,0]=4 11100 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [1,0,0,1,0,0|2,0,0]=4 11101 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [1,0,0,1,0,0|2,0,0]=4 11102 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [1,0,0,1,0,0|2,0,0]=4 11103 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [1,0,0,1,0,0|2,0,0]=4 11104 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [1,0,0,1,0,0|2,0,0]=4 11105 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [1,0,0,1,0,0|2,0,0]=4 11106 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [1,0,0,1,0,0|2,0,0]=4 11107 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [1,0,0,1,0,0|2,0,0]=4 11108 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [1,0,0,1,0,0|2,0,0]=4 11109 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [1,0,0,1,0,0|2,0,0]=4 11110 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [1,0,0,1,0,0|2,0,0]=4 11111 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [1,0,0,1,0,0|2,0,0]=4 11112 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [1,0,0,1,0,0|2,0,0]=4 11113 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [1,0,0,1,0,0|2,0,0]=4 11114 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [1,0,0,1,0,0|2,0,0]=4 11115 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [1,0,0,1,0,0|2,0,0]=4 11116 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [1,0,0,1,0,0|2,0,0]=4 11117 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [1,0,0,1,0,0|2,0,0]=4 11118 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [1,0,0,1,0,0|2,0,0]=4 11119 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [1,0,0,1,0,0|2,0,0]=4 11120 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [1,0,0,1,0,0|2,0,0]=4 11121 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [1,0,0,1,0,0|2,0,0]=4 11122 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [1,0,0,1,0,0|2,0,0]=4 11123 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [1,0,0,1,0,0|2,0,0]=4 11124 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [1,0,0,1,0,0|2,0,0]=4 11125 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [1,0,0,1,0,0|2,0,0]=4 11126 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [1,0,0,1,0,0|2,0,0]=4 11127 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [1,0,0,1,0,0|2,0,0]=4 11128 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [1,0,0,1,0,0|2,0,0]=4 11129 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [1,0,0,1,0,0|2,0,0]=4 11130 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [1,0,0,1,0,0|2,0,0]=4 11131 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [1,0,0,1,0,0|2,0,0]=4 11132 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [1,0,0,1,0,0|2,0,0]=4 11133 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [1,0,0,1,0,0|2,0,0]=4 11134 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [1,0,0,1,0,0|2,0,0]=4 11135 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [1,0,0,1,0,0|2,0,0]=4 11136 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [1,0,0,1,0,0|2,0,0]=4 11137 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [1,0,0,1,0,0|2,0,0]=4 11138 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [1,0,0,1,0,0|2,0,0]=4 11139 B12R1.37 C=COCCCNC1CCCC1 2230a_100000210767_100000179811 [1,0,0,1,0,0|2,0,0]=4 11140 B12R1.37 C=COCCCNC1CCCC1 270004a_100000210767_100000210133 [1,0,0,1,0,0|2,0,0]=4 11141 B12R1.37 C=COCCCNC1CCCC1 34a_100000210767_100000179811 [1,0,0,1,0,0|2,0,0]=4 11142 B12R1.37 C=COCCNCC1CCCC1 2230a_100000737975_100000039644 [1,0,0,1,0,0|2,0,0]=4 11143 B12R1.37 C=COCCNCC1CCCC1 34a_100000737975_100000039644 [1,0,0,1,0,0|2,0,0]=4 11144 B12R1.37 C=COCCOCC1CCCC1 34a_100000033082_100000740388 [1,0,0,1,0,0|2,0,0]=4 11145 B12R1.37 C=COCCOCC1CCCC1 34a_100000742336_100000039644 [1,0,0,1,0,0|2,0,0]=4 11146 B12R1.37 C=COCCOCC1CCCC1 7a_100000742336_100000039644 [1,0,0,1,0,0|2,0,0]=4 11147 B12R1.37 C=COCCSCC1CCCC1 62a_100000039644_100000740388 [1,0,0,1,0,0|2,0,0]=4 11148 B12R1.37 C=COCCSCC1CCCC1 62a_100000740388_100000039644 [1,0,0,1,0,0|2,0,0]=4 11149 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [1,0,0,1,0,0|1,0,1]=4 11150 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [1,0,0,1,0,0|1,0,1]=4 11151 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [1,0,0,1,0,0|1,0,1]=4 11152 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [1,0,0,1,0,0|1,0,1]=4 11153 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [1,0,0,1,0,0|1,0,1]=4 11154 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [1,0,0,1,0,0|1,0,1]=4 11155 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [1,0,0,1,0,0|1,0,1]=4 11156 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [1,0,0,1,0,0|1,0,1]=4 11157 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [1,0,0,1,0,0|1,0,1]=4 11158 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [1,0,0,1,0,0|1,0,1]=4 11159 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [1,0,0,1,0,0|1,0,1]=4 11160 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [1,0,0,1,0,0|1,0,1]=4 11161 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [1,0,0,1,0,0|1,0,1]=4 11162 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [1,0,0,1,0,0|1,0,1]=4 11163 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [1,0,0,1,0,0|1,0,1]=4 11164 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [1,0,0,1,0,0|1,0,1]=4 11165 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [1,0,0,1,0,0|1,0,1]=4 11166 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [1,0,0,1,0,0|1,0,1]=4 11167 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [1,0,0,1,0,0|1,0,1]=4 11168 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [1,0,0,1,0,0|1,0,1]=4 11169 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [1,0,0,1,0,0|1,0,1]=4 11170 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [1,0,0,1,0,0|1,0,1]=4 11171 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [1,0,0,1,0,0|1,0,1]=4 11172 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [1,0,0,1,0,0|1,0,1]=4 11173 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [1,0,0,1,0,0|1,0,1]=4 11174 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [1,0,0,1,0,0|1,0,1]=4 11175 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [1,0,0,1,0,0|1,0,1]=4 11176 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [1,0,0,1,0,0|1,0,1]=4 11177 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [1,0,0,1,0,0|1,0,1]=4 11178 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [1,0,0,1,0,0|1,0,1]=4 11179 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [1,0,0,1,0,0|1,0,1]=4 11180 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [1,0,0,1,0,0|1,0,1]=4 11181 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [1,0,0,1,0,0|1,0,1]=4 11182 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [1,0,0,1,0,0|1,0,1]=4 11183 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [1,0,0,1,0,0|1,0,1]=4 11184 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [1,0,0,1,0,0|1,0,1]=4 11185 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [1,0,0,1,0,0|1,0,1]=4 11186 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [1,0,0,1,0,0|1,0,1]=4 11187 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [1,0,0,1,0,0|1,0,1]=4 11188 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [1,0,0,1,0,0|1,0,1]=4 11189 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [1,0,0,1,0,0|1,0,1]=4 11190 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [1,0,0,1,0,0|1,0,1]=4 11191 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [1,0,0,1,0,0|1,0,1]=4 11192 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [1,0,0,1,0,0|1,0,1]=4 11193 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [1,0,0,1,0,0|1,0,1]=4 11194 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [1,0,0,1,0,0|2,0,0]=4 11195 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 11196 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 11197 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 11198 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 11199 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [1,0,0,1,0,0|1,0,0]=3 11200 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [1,0,0,1,0,0|2,0,0]=4 11201 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [1,0,0,1,0,0|2,0,0]=4 11202 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [1,0,0,1,0,0|1,0,0]=3 11203 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [1,0,0,1,0,0|2,0,0]=4 11204 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [1,0,0,1,0,0|1,0,0]=3 11205 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [1,0,0,1,0,0|1,0,0]=3 11206 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [1,0,0,1,0,0|2,0,0]=4 11207 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [1,0,0,1,0,0|1,0,0]=3 11208 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [1,0,0,1,0,0|2,0,0]=4 11209 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [1,0,0,1,0,0|2,0,0]=4 11210 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [1,0,0,1,0,0|1,0,0]=3 11211 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [1,0,0,1,0,0|2,0,0]=4 11212 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [1,0,0,1,0,0|1,0,0]=3 11213 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [1,0,0,1,0,0|1,0,0]=3 11214 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [1,0,0,1,0,0|2,0,0]=4 11215 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [1,0,0,1,0,0|2,0,0]=4 11216 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [1,0,0,1,0,0|2,0,0]=4 11217 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [1,0,0,1,0,0|2,0,0]=4 11218 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [1,0,0,1,0,0|1,0,0]=3 11219 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [1,0,0,1,0,0|1,0,0]=3 11220 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [1,0,0,1,0,0|2,0,0]=4 11221 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [1,0,0,1,0,0|1,0,0]=3 11222 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [1,0,0,1,0,0|1,0,0]=3 11223 B12R1.37 O=CCOCCNC1CCCC1 34a_200000200444_200009817547 [1,0,0,1,0,0|2,0,0]=4 11224 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [1,0,0,1,0,0|2,0,0]=4 11225 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [1,0,0,1,0,0|2,0,0]=4 11226 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [1,0,0,1,0,0|1,0,0]=3 11227 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [1,0,0,1,0,0|1,0,0]=3 11228 B12R1.37 O=CCSCCCN1CCCC1 62a_100016991639_200015260668 [1,0,0,1,0,0|2,0,0]=4 11229 B12R1.37 O=CCSCCCN1CCCC1 62a_200015260668_100011445909 [1,0,0,1,0,0|2,0,0]=4 11230 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [1,0,0,1,0,0|2,0,0]=4 11231 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [1,0,0,1,0,0|2,0,0]=4 11232 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [1,0,0,1,0,0|2,0,0]=4 11233 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [1,0,0,1,0,0|2,0,0]=4 11234 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [1,0,0,1,0,0|2,0,0]=4 11235 B12R1.45 C=COCCN1CCCC1CC 2230a_100000754278_100000039644 [1,0,0,1,0,0|2,0,0]=4 11236 B12R1.45 C=COCCN1CCCC1CC 269982a_100000754278_100000039644 [1,0,0,1,0,0|2,0,0]=4 11237 B12R1.45 C=COCCN1CCCC1CC 34a_100000754278_100000039644 [1,0,0,1,0,0|2,0,0]=4 11238 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [1,0,0,1,0,0|1,0,1]=4 11239 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [1,0,0,1,0,0|1,0,1]=4 11240 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 11241 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 11242 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [1,0,0,1,0,0|1,0,1]=4 11243 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [1,0,0,1,0,0|1,0,1]=4 11244 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [1,0,0,1,0,0|1,0,1]=4 11245 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [1,0,0,1,0,0|1,0,1]=4 11246 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [1,0,0,1,0,0|1,0,1]=4 11247 B12R1.45 CCN1CCCC1CNCC=O 2230a_100000211693_200015260668 [1,0,0,1,0,0|2,0,0]=4 11248 B12R1.45 CCN1CCC[C@@H]1COCC=O 34a_100011739246_200009817547 [1,0,0,1,0,0|2,0,0]=4 11249 B12R1.45 CCN1CCC[C@@H]1COCC=O 7a_100011739246_200015260668 [1,0,0,1,0,0|2,0,0]=4 11250 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 11251 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 11252 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 11253 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 11254 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [1,0,0,1,0,0|2,0,0]=4 11255 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [1,0,0,1,0,0|2,0,0]=4 11256 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [1,0,0,1,0,0|2,0,0]=4 11257 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [1,0,0,1,0,0|2,0,0]=4 11258 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [1,0,0,1,0,0|1,0,0]=3 11259 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [1,0,0,1,0,0|1,0,0]=3 11260 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [1,0,0,1,0,0|1,0,1]=4 11261 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [1,0,0,1,0,0|1,0,1]=4 11262 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [1,0,0,1,0,0|1,0,1]=4 11263 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [1,0,0,1,0,0|1,0,1]=4 11264 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [1,0,0,1,0,0|1,0,1]=4 11265 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [1,0,0,1,0,0|1,0,1]=4 11266 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [1,0,0,1,0,0|1,0,1]=4 11267 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [1,0,0,1,0,0|1,0,1]=4 11268 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [1,0,0,1,0,0|1,0,1]=4 11269 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [1,0,0,1,0,0|1,0,1]=4 11270 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [1,0,0,1,0,0|2,0,0]=4 11271 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [1,0,0,1,0,0|2,0,0]=4 11272 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [1,0,0,1,0,0|2,0,0]=4 11273 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [1,0,0,1,0,0|2,0,0]=4 11274 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 11275 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [1,0,0,1,0,0|2,0,0]=4 11276 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [1,0,0,1,0,0|2,0,0]=4 11277 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [1,0,0,1,0,0|2,0,0]=4 11278 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [1,0,0,1,0,0|2,0,0]=4 11279 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [1,0,0,1,0,0|2,0,0]=4 11280 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [1,0,0,1,0,0|1,0,1]=4 11281 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [1,0,0,1,0,0|1,0,1]=4 11282 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [1,0,0,1,0,0|1,0,1]=4 11283 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [1,0,0,1,0,0|1,0,1]=4 11284 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 11285 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 11286 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [1,0,0,1,0,0|1,0,0]=3 11287 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [1,0,0,1,0,0|1,0,1]=4 11288 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [1,0,0,1,0,0|1,0,1]=4 11289 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 11290 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 11291 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [1,0,0,1,0,0|2,0,0]=4 11292 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [1,0,0,1,0,0|1,0,1]=4 11293 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [1,0,0,1,0,0|1,0,1]=4 11294 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [1,0,0,1,0,0|1,0,1]=4 11295 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 11296 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 11297 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [1,0,0,1,0,0|2,0,0]=4 11298 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 11299 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 11300 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 11301 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [1,0,0,1,0,0|2,0,0]=4 11302 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [1,0,0,1,0,0|2,0,0]=4 11303 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [1,0,0,1,0,0|2,0,0]=4 11304 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [1,0,0,1,0,0|1,0,1]=4 11305 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [1,0,0,1,0,0|1,0,1]=4 11306 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 11307 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 11308 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [1,0,0,1,0,0|1,0,0]=3 11309 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [1,0,0,1,0,0|2,0,0]=4 11310 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [1,0,0,1,0,0|2,0,0]=4 11311 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [1,0,0,1,0,0|2,0,0]=4 11312 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [1,0,0,1,0,0|2,0,0]=4 11313 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [1,0,0,1,0,0|2,0,0]=4 11314 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [1,0,0,1,0,0|2,0,0]=4 11315 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [1,0,0,1,0,0|2,0,0]=4 11316 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [1,0,0,1,0,0|2,0,0]=4 11317 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [1,0,0,1,0,0|2,0,0]=4 11318 B12R1.267 C=COCCN1CCCCC1C 2230a_100000211376_100000039644 [1,0,0,1,0,0|2,0,0]=4 11319 B12R1.267 C=COCCN1CCCCC1C 269982a_100000211376_100000039644 [1,0,0,1,0,0|2,0,0]=4 11320 B12R1.267 C=COCCN1CCCCC1C 34a_100000211376_100000039644 [1,0,0,1,0,0|2,0,0]=4 11321 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 11322 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 11323 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [1,0,0,1,0,0|1,0,1]=4 11324 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [1,0,0,1,0,0|1,0,1]=4 11325 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [1,0,0,1,0,0|1,0,0]=3 11326 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [1,0,0,1,0,0|2,0,0]=4 11327 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [1,0,0,1,0,0|2,0,0]=4 11328 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [1,0,0,1,0,0|2,0,0]=4 11329 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [1,0,0,1,0,0|2,0,0]=4 11330 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [1,0,0,1,0,0|2,0,0]=4 11331 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [1,0,0,1,0,0|1,0,0]=3 11332 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [1,0,0,1,0,0|1,0,0]=3 11333 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [1,0,0,1,0,0|1,0,0]=3 11334 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [1,0,0,1,0,0|2,0,0]=4 11335 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 11336 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 11337 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 11338 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 11339 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [1,0,0,1,0,0|1,0,0]=3 11340 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [1,0,0,1,0,0|1,0,0]=3 11341 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [1,0,0,1,0,0|2,0,0]=4 11342 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [1,0,0,1,0,0|2,0,0]=4 11343 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [1,0,0,1,0,0|2,0,0]=4 11344 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [1,0,0,1,0,0|2,0,0]=4 11345 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 11346 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 11347 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 11348 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 11349 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [1,0,0,1,0,0|2,0,0]=4 11350 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [1,0,0,1,0,0|2,0,0]=4 11351 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [1,0,0,1,0,0|2,0,0]=4 11352 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [1,0,0,1,0,0|2,0,0]=4 11353 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [1,0,0,1,0,0|2,0,0]=4 11354 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [1,0,0,1,0,0|2,0,0]=4 11355 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [1,0,0,1,0,0|1,0,1]=4 11356 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [1,0,0,1,0,0|1,0,1]=4 11357 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [1,0,0,1,0,0|1,0,1]=4 11358 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [1,0,0,1,0,0|1,0,1]=4 11359 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [1,0,0,1,0,0|1,0,1]=4 11360 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [1,0,0,1,0,0|1,0,1]=4 11361 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [1,0,0,1,0,0|1,0,1]=4 11362 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [1,0,0,1,0,0|1,0,1]=4 11363 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [1,0,0,1,0,0|1,0,1]=4 11364 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [1,0,0,1,0,0|1,0,1]=4 11365 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [1,0,0,1,0,0|1,0,1]=4 11366 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [1,0,0,1,0,0|1,0,1]=4 11367 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [1,0,0,1,0,0|1,0,1]=4 11368 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [1,0,0,1,0,0|1,0,1]=4 11369 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [1,0,0,1,0,0|1,0,1]=4 11370 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [1,0,0,1,0,0|2,0,0]=4 11371 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [1,0,0,1,0,0|2,0,0]=4 11372 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [1,0,0,1,0,0|1,0,1]=4 11373 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [1,0,0,1,0,0|1,0,1]=4 11374 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [1,0,0,1,0,0|2,0,0]=4 11375 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [1,0,0,1,0,0|2,0,0]=4 11376 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [1,0,0,1,0,0|2,0,0]=4 11377 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [1,0,0,1,0,0|2,0,0]=4 11378 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [1,0,0,1,0,0|2,0,0]=4 11379 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [1,0,0,1,0,0|2,0,0]=4 11380 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [1,0,0,1,0,0|2,0,0]=4 11381 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [1,0,0,1,0,0|2,0,0]=4 11382 B12R1.267 C[C@H]1COCCN1CCCC=O 2230a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 11383 B12R1.267 C[C@H]1COCCN1CCCC=O 269982a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 11384 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [1,0,0,1,0,0|2,0,0]=4 11385 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 11386 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 11387 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 11388 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 11389 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [1,0,0,1,0,0|2,0,0]=4 11390 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [1,0,0,1,0,0|2,0,0]=4 11391 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [1,0,0,1,0,0|2,0,0]=4 11392 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [1,0,0,1,0,0|2,0,0]=4 11393 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [1,0,0,1,0,0|2,0,0]=4 11394 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [1,0,0,1,0,0|2,0,0]=4 11395 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [1,0,0,1,0,0|2,0,0]=4 11396 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [1,0,0,1,0,0|2,0,0]=4 11397 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [1,0,0,1,0,0|2,0,0]=4 11398 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [1,0,0,1,0,0|2,0,0]=4 11399 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 11400 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [1,0,0,1,0,0|2,0,0]=4 11401 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [1,0,0,1,0,0|2,0,0]=4 11402 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [1,0,0,1,0,0|1,0,0]=3 11403 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [1,0,0,1,0,0|1,0,1]=4 11404 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [1,0,0,1,0,0|1,0,1]=4 11405 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [1,0,0,1,0,0|2,0,0]=4 11406 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [1,0,0,1,0,0|2,0,0]=4 11407 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [1,0,0,1,0,0|2,0,0]=4 11408 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [1,0,0,1,0,0|2,0,0]=4 11409 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [1,0,0,1,0,0|2,0,0]=4 11410 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [1,0,0,1,0,0|2,0,0]=4 11411 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [1,0,0,1,0,0|2,0,0]=4 11412 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [1,0,0,1,0,0|2,0,0]=4 11413 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [1,0,0,1,0,0|2,0,0]=4 11414 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [1,0,0,1,0,0|2,0,0]=4 11415 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [1,0,0,1,0,0|2,0,0]=4 11416 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [1,0,0,1,0,0|2,0,0]=4 11417 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [1,0,0,1,0,0|2,0,0]=4 11418 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [1,0,0,1,0,0|2,0,0]=4 11419 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [1,0,0,1,0,0|2,0,0]=4 11420 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [1,0,0,1,0,0|2,0,0]=4 11421 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [1,0,0,1,0,0|2,0,0]=4 11422 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [1,0,0,1,0,0|2,0,0]=4 11423 B12R1.272 C=COCCCCOC1CCC1 34a_100000031558_100000749161 [1,0,0,1,0,0|2,0,0]=4 11424 B12R1.272 C=COCCCNCC1CCC1 2230a_100000210767_100000763275 [1,0,0,1,0,0|2,0,0]=4 11425 B12R1.272 C=COCCCNCC1CCC1 269862a_100000210767_100000753134 [1,0,0,1,0,0|2,0,0]=4 11426 B12R1.272 C=COCCCNCC1CCC1 34a_100000210767_100000763275 [1,0,0,1,0,0|2,0,0]=4 11427 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [1,0,0,1,0,0|1,0,1]=4 11428 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [1,0,0,1,0,0|1,0,1]=4 11429 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [1,0,0,1,0,0|1,0,1]=4 11430 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [1,0,0,1,0,0|1,0,1]=4 11431 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [1,0,0,1,0,0|1,0,1]=4 11432 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [1,0,0,1,0,0|1,0,1]=4 11433 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [1,0,0,1,0,0|1,0,1]=4 11434 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [1,0,0,1,0,0|1,0,1]=4 11435 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [1,0,0,1,0,0|1,0,1]=4 11436 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [1,0,0,1,0,0|1,0,1]=4 11437 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [1,0,0,1,0,0|1,0,1]=4 11438 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [1,0,0,1,0,0|1,0,1]=4 11439 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [1,0,0,1,0,0|1,0,1]=4 11440 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [1,0,0,1,0,0|1,0,1]=4 11441 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [1,0,0,1,0,0|1,0,1]=4 11442 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [1,0,0,1,0,0|1,0,1]=4 11443 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [1,0,0,1,0,0|1,0,1]=4 11444 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [1,0,0,1,0,0|1,0,1]=4 11445 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [1,0,0,1,0,0|1,0,1]=4 11446 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [1,0,0,1,0,0|1,0,1]=4 11447 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [1,0,0,1,0,0|1,0,1]=4 11448 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [1,0,0,1,0,0|1,0,1]=4 11449 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [1,0,0,1,0,0|1,0,0]=3 11450 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [1,0,0,1,0,0|2,0,0]=4 11451 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [1,0,0,1,0,0|2,0,0]=4 11452 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [1,0,0,1,0,0|1,0,0]=3 11453 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [1,0,0,1,0,0|2,0,0]=4 11454 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [1,0,0,1,0,0|1,0,0]=3 11455 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [1,0,0,1,0,0|2,0,0]=4 11456 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [1,0,0,1,0,0|2,0,0]=4 11457 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [1,0,0,1,0,0|1,0,0]=3 11458 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [1,0,0,1,0,0|1,0,0]=3 11459 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [1,0,0,1,0,0|2,0,0]=4 11460 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [1,0,0,1,0,0|2,0,0]=4 11461 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [1,0,0,1,0,0|2,0,0]=4 11462 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [1,0,0,1,0,0|2,0,0]=4 11463 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [1,0,0,1,0,0|2,0,0]=4 11464 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [1,0,0,1,0,0|1,0,1]=4 11465 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [1,0,0,1,0,0|1,0,1]=4 11466 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [1,0,0,1,0,0|1,0,1]=4 11467 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 11468 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 11469 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [1,0,0,1,0,0|2,0,0]=4 11470 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [1,0,0,1,0,0|2,0,0]=4 11471 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [1,0,0,1,0,0|2,0,0]=4 11472 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [1,0,0,1,0,0|2,0,0]=4 11473 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [1,0,0,1,0,0|2,0,0]=4 11474 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [1,0,0,1,0,0|2,0,0]=4 11475 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [1,0,0,1,0,0|2,0,0]=4 11476 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [1,0,0,1,0,0|1,0,1]=4 11477 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [1,0,0,1,0,0|1,0,1]=4 11478 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [1,0,0,1,0,0|1,0,1]=4 11479 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [1,0,0,1,0,0|1,0,1]=4 11480 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [1,0,0,1,0,0|1,0,1]=4 11481 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [1,0,0,1,0,0|1,0,1]=4 11482 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [1,0,0,1,0,0|1,0,1]=4 11483 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [1,0,0,1,0,0|1,0,1]=4 11484 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [1,0,0,1,0,0|1,0,1]=4 11485 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [1,0,0,1,0,0|1,0,1]=4 11486 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [1,0,0,1,0,0|1,0,0]=3 11487 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [1,0,0,1,0,0|1,0,0]=3 11488 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [1,0,0,1,0,0|1,0,0]=3 11489 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [1,0,0,1,0,0|1,0,0]=3 11490 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [1,0,0,1,0,0|1,0,1]=4 11491 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [1,0,0,1,0,0|1,0,1]=4 11492 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [1,0,0,1,0,0|2,0,0]=4 11493 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [1,0,0,1,0,0|2,0,0]=4 11494 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 11495 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 11496 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [1,0,0,1,0,0|2,0,0]=4 11497 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [1,0,0,1,0,0|2,0,0]=4 11498 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [1,0,0,1,0,0|2,0,0]=4 11499 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [1,0,0,1,0,0|2,0,0]=4 11500 B12R1.372 C=COCCOC1CCCC1C 34a_100011216460_100000039644 [1,0,0,1,0,0|2,0,0]=4 11501 B12R1.372 C=COCCOC1CCCC1C 7a_100011216460_100000039644 [1,0,0,1,0,0|2,0,0]=4 11502 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [1,0,0,1,0,0|1,0,0]=3 11503 B12R1.372 CC1SCCN1CCCCC=O 2230a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 11504 B12R1.372 CC1SCCN1CCCCC=O 269982a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 11505 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,0,0,1,0,0|1,0,0]=3 11506 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [1,0,0,1,0,0|2,0,0]=4 11507 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [1,0,0,1,0,0|2,0,0]=4 11508 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,1,0,0|1,0,0]=3 11509 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,0,0,1,0,0|1,0,0]=3 11510 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,0,0,1,0,0|1,0,0]=3 11511 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,0,0,1,0,0|1,0,0]=3 11512 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,1,0,0|1,0,0]=3 11513 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,1,0,0|1,0,0]=3 11514 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [1,0,0,1,0,0|2,0,0]=4 11515 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,0,0,1,0,0|1,0,0]=3 11516 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,0,0,1,0,0|1,0,0]=3 11517 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,1,0,0|1,0,0]=3 11518 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,1,0,0|1,0,0]=3 11519 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,1,0,0|2,0,0]=4 11520 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [1,0,0,1,0,0|2,0,0]=4 11521 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [1,0,0,1,0,0|2,0,0]=4 11522 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [1,0,0,1,0,0|2,0,0]=4 11523 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [1,0,0,1,0,0|2,0,0]=4 11524 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 11525 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 11526 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [1,0,0,1,0,0|2,0,0]=4 11527 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [1,0,0,1,0,0|2,0,0]=4 11528 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 11529 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 11530 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 11531 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 11532 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [1,0,0,1,0,0|2,0,0]=4 11533 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [1,0,0,1,0,0|2,0,0]=4 11534 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [1,0,0,1,0,0|2,0,0]=4 11535 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [1,0,0,1,0,0|2,0,0]=4 11536 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [1,0,0,1,0,0|2,0,0]=4 11537 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [1,0,0,1,0,0|2,0,0]=4 11538 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [1,0,0,1,0,0|2,0,0]=4 11539 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [1,0,0,1,0,0|2,0,0]=4 11540 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [1,0,0,1,0,0|2,0,0]=4 11541 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [1,0,0,1,0,0|2,0,0]=4 11542 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [1,0,0,1,0,0|2,0,0]=4 11543 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [1,0,0,1,0,0|2,0,0]=4 11544 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [1,0,0,1,0,0|2,0,0]=4 11545 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [1,0,0,1,0,0|2,0,0]=4 11546 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [1,0,0,1,0,0|2,0,0]=4 11547 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [1,0,0,1,0,0|2,0,0]=4 11548 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [1,0,0,1,0,0|2,0,0]=4 11549 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [1,0,0,1,0,0|2,0,0]=4 11550 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [1,0,0,1,0,0|2,0,0]=4 11551 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [1,0,0,1,0,0|2,0,0]=4 11552 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [1,0,0,1,0,0|2,0,0]=4 11553 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [1,0,0,1,0,0|2,0,0]=4 11554 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [1,0,0,1,0,0|2,0,0]=4 11555 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [1,0,0,1,0,0|2,0,0]=4 11556 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [1,0,0,1,0,0|2,0,0]=4 11557 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [1,0,0,1,0,0|2,0,0]=4 11558 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [1,0,0,1,0,0|2,0,0]=4 11559 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [1,0,0,1,0,0|2,0,0]=4 11560 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [1,0,0,1,0,0|2,0,0]=4 11561 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [1,0,0,1,0,0|2,0,0]=4 11562 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [1,0,0,1,0,0|1,0,1]=4 11563 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [1,0,0,1,0,0|1,0,1]=4 11564 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [1,0,0,1,0,0|1,0,1]=4 11565 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [1,0,0,1,0,0|1,0,1]=4 11566 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [1,0,0,1,0,0|1,0,1]=4 11567 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [1,0,0,1,0,0|2,0,0]=4 11568 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [1,0,0,1,0,0|1,0,1]=4 11569 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [1,0,0,1,0,0|2,0,0]=4 11570 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [1,0,0,1,0,0|2,0,0]=4 11571 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [1,0,0,1,0,0|2,0,0]=4 11572 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [1,0,0,1,0,0|1,0,1]=4 11573 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [1,0,0,1,0,0|1,0,1]=4 11574 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [1,0,0,1,0,0|2,0,0]=4 11575 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [1,0,0,1,0,0|2,0,0]=4 11576 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [1,0,0,1,0,0|2,0,0]=4 11577 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [1,0,0,1,0,0|2,0,0]=4 11578 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [1,0,0,1,0,0|2,0,0]=4 11579 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [1,0,0,1,0,0|2,0,0]=4 11580 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [1,0,0,1,0,0|2,0,0]=4 11581 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [1,0,0,1,0,0|2,0,0]=4 11582 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [1,0,0,1,0,0|2,0,0]=4 11583 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [1,0,0,1,0,0|2,0,0]=4 11584 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [1,0,0,1,0,0|2,0,0]=4 11585 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [1,0,0,1,0,0|1,0,0]=3 11586 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [1,0,0,1,0,0|1,0,0]=3 11587 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [1,0,0,1,0,0|1,0,0]=3 11588 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [1,0,0,1,0,0|1,0,0]=3 11589 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [1,0,0,1,0,0|2,0,0]=4 11590 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 11591 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [1,0,0,1,0,0|2,0,0]=4 11592 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [1,0,0,1,0,0|2,0,0]=4 11593 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [1,0,0,1,0,0|2,0,0]=4 11594 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [1,0,0,1,0,0|2,0,0]=4 11595 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [1,0,0,1,0,0|2,0,0]=4 11596 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [1,0,0,1,0,0|2,0,0]=4 11597 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [1,0,0,1,0,0|2,0,0]=4 11598 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [1,0,0,1,0,0|2,0,0]=4 11599 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [1,0,0,1,0,0|2,0,0]=4 11600 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [1,0,0,1,0,0|2,0,0]=4 11601 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [1,0,0,1,0,0|2,0,0]=4 11602 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [1,0,0,1,0,0|2,0,0]=4 11603 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [1,0,0,1,0,0|2,0,0]=4 11604 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [1,0,0,1,0,0|2,0,0]=4 11605 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 11606 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 11607 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [1,0,0,1,0,0|2,0,0]=4 11608 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [1,0,0,1,0,0|2,0,0]=4 11609 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [1,0,0,1,0,0|2,0,0]=4 11610 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [1,0,0,1,0,0|2,0,0]=4 11611 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [1,0,0,1,0,0|2,0,0]=4 11612 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COCC1CCN1CCCC=O 269982a_100015195929_200011292268 [1,0,0,1,0,0|2,0,0]=4 11754 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [1,0,0,1,0,0|2,0,0]=4 11755 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [1,0,0,1,0,0|2,0,0]=4 11756 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [1,0,0,1,0,0|2,0,0]=4 11757 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [1,0,0,1,0,0|2,0,0]=4 11758 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [1,0,0,1,0,0|2,0,0]=4 11759 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [1,0,0,1,0,0|2,0,0]=4 11760 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [1,0,0,1,0,0|2,0,0]=4 11761 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [1,0,0,1,0,0|2,0,0]=4 11762 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [1,0,0,1,0,0|2,0,0]=4 11763 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [1,0,0,1,0,0|2,0,0]=4 11764 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [1,0,0,1,0,0|2,0,0]=4 11765 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [1,0,0,1,0,0|2,0,0]=4 11766 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [1,0,0,1,0,0|2,0,0]=4 11767 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [1,0,0,1,0,0|2,0,0]=4 11768 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [1,0,0,1,0,0|2,0,0]=4 11769 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [1,0,0,1,0,0|2,0,0]=4 11770 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [1,0,0,1,0,0|2,0,0]=4 11771 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [1,0,0,1,0,0|2,0,0]=4 11772 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [1,0,0,1,0,0|2,0,0]=4 11773 B12R1.1414 C=COCCN1CCCCCC1 2230a_100000185865_100000039644 [1,0,0,1,0,0|2,0,0]=4 11774 B12R1.1414 C=COCCN1CCCCCC1 269982a_100000185865_100000039644 [1,0,0,1,0,0|2,0,0]=4 11775 B12R1.1414 C=COCCN1CCCCCC1 34a_100000185865_100000039644 [1,0,0,1,0,0|2,0,0]=4 11776 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [1,0,0,1,0,0|1,0,1]=4 11777 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [1,0,0,1,0,0|1,0,1]=4 11778 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [1,0,0,1,0,0|1,0,1]=4 11779 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [1,0,0,1,0,0|1,0,1]=4 11780 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [1,0,0,1,0,0|1,0,1]=4 11781 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [1,0,0,1,0,0|1,0,1]=4 11782 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [1,0,0,1,0,0|1,0,1]=4 11783 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [1,0,0,1,0,0|1,0,1]=4 11784 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [1,0,0,1,0,0|1,0,1]=4 11785 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [1,0,0,1,0,0|1,0,1]=4 11786 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [1,0,0,1,0,0|1,0,1]=4 11787 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [1,0,0,1,0,0|1,0,1]=4 11788 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [1,0,0,1,0,0|1,0,1]=4 11789 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [1,0,0,1,0,0|1,0,1]=4 11790 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [1,0,0,1,0,0|1,0,1]=4 11791 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [1,0,0,1,0,0|1,0,1]=4 11792 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [1,0,0,1,0,0|2,0,0]=4 11793 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 11794 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 11795 B12R1.1414 O=CCCCN1CCCOCC1 2230a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 11796 B12R1.1414 O=CCCCN1CCCOCC1 269982a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 11797 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [1,0,0,1,0,0|1,0,0]=3 11798 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [1,0,0,1,0,0|1,0,0]=3 11799 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [1,0,0,1,0,0|1,0,0]=3 11800 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [1,0,0,1,0,0|1,0,0]=3 11801 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [1,0,0,1,0,0|1,0,0]=3 11802 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [1,0,0,1,0,0|1,0,0]=3 11803 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [1,0,0,1,0,0|1,0,1]=4 11804 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [1,0,0,1,0,0|1,0,1]=4 11805 B14R1.26 C=COCCCNC1CCCC(C1)C 270004a_100000210767_100000183594 [0,1,0,1,0,0|2,0,0]=4 11806 B14R1.26 C=COCCCNC1CCCC(C1)O 270004a_100000210767_100012613340 [0,1,0,1,0,0|2,0,0]=4 11807 B14R1.26 C=COCCNCC1CCCC(C1)O 2230a_100011254705_100000039644 [0,1,0,1,0,0|2,0,0]=4 11808 B14R1.26 CC1CCCC(C1)NCCCCC=O 2230a_100011194320_100000139335 [0,1,0,1,0,0|2,0,0]=4 11809 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,1,0,1,0,0|2,0,0]=4 11810 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,1,0,1,0,0|1,0,0]=3 11811 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 11812 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 11813 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,1,0,1,0,0|2,0,0]=4 11814 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,1,0,1,0,0|2,0,0]=4 11815 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,1,0,1,0,0|2,0,0]=4 11816 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,1,0,1,0,0|2,0,0]=4 11817 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,1,0,1,0,0|2,0,0]=4 11818 B14R1.26 C[C@H]1CCCN(C1)CCCCCC=O 2230a_100000717927_100000139337 [0,1,0,1,0,0|2,0,0]=4 11819 B14R1.26 C[C@H]1CCCN(C1)CCCCCC=O 269982a_100000717927_100000139337 [0,1,0,1,0,0|2,0,0]=4 11820 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,1,0,1,0,0|2,0,0]=4 11821 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,1,0,1,0,0|2,0,0]=4 11822 B14R1.26 O=CCCCCCN1CCCC(C1)F 2230a_100000697950_100000139337 [0,1,0,1,0,0|2,0,0]=4 11823 B14R1.26 O=CCCCCCN1CCCC(C1)F 269982a_100000697950_100000139337 [0,1,0,1,0,0|2,0,0]=4 11824 B14R1.26 O=CCCCCCN1CCCC(C1)O 2230a_100000211013_100000139337 [0,1,0,1,0,0|2,0,0]=4 11825 B14R1.26 O=CCCCCCN1CCCC(C1)O 269982a_100000211013_100000139337 [0,1,0,1,0,0|2,0,0]=4 11826 B14R1.26 O=CCCCCNC1CCCC(C1)O 2230a_100015190357_100000139335 [0,1,0,1,0,0|2,0,0]=4 11827 B14R1.26 O=CCCCNCC1CCCC(C1)O 2230a_100011254705_200011292268 [0,1,0,1,0,0|2,0,0]=4 11828 B14R1.40 C/C=C/CCOCCCC1CCCC1 34a_100016278192_100011713738 [0,1,0,1,0,0|2,0,0]=4 11829 B14R1.40 C=CCCCCCCCN1CCCC1 2230a_100000188435_100012355270 [0,1,0,1,0,0|2,0,0]=4 11830 B14R1.40 C=CCCCCCCCN1CCCC1 269982a_100000188435_100012355270 [0,1,0,1,0,0|2,0,0]=4 11831 B14R1.40 C=CCCCCCCNC1CCCC1 2230a_100000211070_100011215473 [0,1,0,1,0,0|2,0,0]=4 11832 B14R1.40 C=CCCCCCCNC1CCCC1 34a_100000211070_100011215473 [0,1,0,1,0,0|2,0,0]=4 11833 B14R1.40 C=CCCCCCCOC1CCCC1 34a_100000210269_100011215473 [0,1,0,1,0,0|2,0,0]=4 11834 B14R1.40 C=CCCCCCCOC1CCCC1 34a_200011216477_100000179811 [0,1,0,1,0,0|2,0,0]=4 11835 B14R1.40 C=CCCCCCCOC1CCCC1 7a_100000210269_100011215473 [0,1,0,1,0,0|2,0,0]=4 11836 B14R1.40 C=CCCCCCCOC1CCCC1 7a_200011216477_100000179811 [0,1,0,1,0,0|2,0,0]=4 11837 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011215473_100000179811 [0,1,0,1,0,0|2,0,0]=4 11838 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011217020_100011215473 [0,1,0,1,0,0|2,0,0]=4 11839 B14R1.40 C=CCCCCCNCC1CCCC1 2230a_100000737975_100000700193 [0,1,0,1,0,0|2,0,0]=4 11840 B14R1.40 C=CCCCCCNCC1CCCC1 34a_100000737975_100000700193 [0,1,0,1,0,0|2,0,0]=4 11841 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100000742336_100000700193 [0,1,0,1,0,0|2,0,0]=4 11842 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100011216702_100000740388 [0,1,0,1,0,0|2,0,0]=4 11843 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100000742336_100000700193 [0,1,0,1,0,0|2,0,0]=4 11844 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100011216702_100000740388 [0,1,0,1,0,0|2,0,0]=4 11845 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000700193_100000740388 [0,1,0,1,0,0|2,0,0]=4 11846 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000740388_100000700193 [0,1,0,1,0,0|2,0,0]=4 11847 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000703577_100000760354 [0,1,0,1,0,0|2,0,0]=4 11848 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000739158_100011215482 [0,1,0,1,0,0|2,0,0]=4 11849 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000703577_100000760354 [0,1,0,1,0,0|2,0,0]=4 11850 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000739158_100011215482 [0,1,0,1,0,0|2,0,0]=4 11851 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000749090_100011215482 [0,1,0,1,0,0|2,0,0]=4 11852 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000766645_100000760354 [0,1,0,1,0,0|2,0,0]=4 11853 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000749090_100011215482 [0,1,0,1,0,0|2,0,0]=4 11854 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000766645_100000760354 [0,1,0,1,0,0|2,0,0]=4 11855 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100000760354_100011215482 [0,1,0,1,0,0|2,0,0]=4 11856 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100011215482_100000760354 [0,1,0,1,0,0|2,0,0]=4 11857 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000700776_100011713738 [0,1,0,1,0,0|2,0,0]=4 11858 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000736752_100011713584 [0,1,0,1,0,0|2,0,0]=4 11859 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000700776_100011713738 [0,1,0,1,0,0|2,0,0]=4 11860 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000736752_100000757094 [0,1,0,1,0,0|2,0,0]=4 11861 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100000758997_100011713738 [0,1,0,1,0,0|2,0,0]=4 11862 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100011215328_100000757094 [0,1,0,1,0,0|2,0,0]=4 11863 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100000758997_100011713738 [0,1,0,1,0,0|2,0,0]=4 11864 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100011215328_100000757094 [0,1,0,1,0,0|2,0,0]=4 11865 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713584_100011713738 [0,1,0,1,0,0|2,0,0]=4 11866 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713738_100000757094 [0,1,0,1,0,0|2,0,0]=4 11867 B14R1.40 C=CCOCCOCCC1CCCC1 34a_100000037705_100000760354 [0,1,0,1,0,0|2,0,0]=4 11868 B14R1.40 C=CCOCCOCCC1CCCC1 7a_100000037705_100000760354 [0,1,0,1,0,0|2,0,0]=4 11869 B14R1.40 C=COCCCCOCC1CCCC1 34a_100000031558_100000740388 [0,1,0,1,0,0|1,0,0]=3 11870 B14R1.40 C=COCCCCOCC1CCCC1 7a_100000031558_100000740388 [0,1,0,1,0,0|1,0,0]=3 11871 B14R1.40 C=COCCCCOCC1CCCO1 7a_100000031558_100000203698 [0,1,0,1,0,0|2,0,0]=4 11872 B14R1.40 C=COCCCCOCC1CCOC1 34a_100000031558_100011261433 [0,1,0,1,0,0|2,0,0]=4 11873 B14R1.40 C=COCCCCOCC1CCOC1 7a_100000031558_100000702531 [0,1,0,1,0,0|2,0,0]=4 11874 B14R1.40 C=COCCCNCCC1CCCC1 2230a_100000210767_100000760354 [0,1,0,1,0,0|1,0,0]=3 11875 B14R1.40 C=COCCCNCCC1CCCC1 34a_100000210767_100000760354 [0,1,0,1,0,0|1,0,0]=3 11876 B14R1.40 C=COCCNCCCC1CCCC1 2230a_100000736752_100000039644 [0,1,0,1,0,0|1,0,0]=3 11877 B14R1.40 C=COCCNCCCC1CCCC1 34a_100000736752_100000039644 [0,1,0,1,0,0|1,0,0]=3 11878 B14R1.40 C=COCCNCCOC1CCCC1 34a_100000741755_100000039644 [0,1,0,1,0,0|2,0,0]=4 11879 B14R1.40 C=COCCOCCCC1CCCC1 34a_100000033082_100011713738 [0,1,0,1,0,0|1,0,0]=3 11880 B14R1.40 C=COCCOCCCC1CCCC1 34a_100011215328_100000039644 [0,1,0,1,0,0|1,0,0]=3 11881 B14R1.40 C=COCCOCCCC1CCCC1 7a_100011215328_100000039644 [0,1,0,1,0,0|1,0,0]=3 11882 B14R1.40 C=COCCOCCCN1CCCC1 34a_100000033082_100016991639 [0,1,0,1,0,0|2,0,0]=4 11883 B14R1.40 C=COCCOCCNC1CCCC1 34a_200000200444_100000039644 [0,1,0,1,0,0|2,0,0]=4 11884 B14R1.40 C=COCCOCCOC1CCCC1 34a_100000039918_100000179811 [0,1,0,1,0,0|2,0,0]=4 11885 B14R1.40 C=COCCOCCOC1CCCC1 34a_100000738311_100000039644 [0,1,0,1,0,0|2,0,0]=4 11886 B14R1.40 C=COCCOCCOC1CCCC1 7a_100000039918_100000179811 [0,1,0,1,0,0|2,0,0]=4 11887 B14R1.40 C=COCCOCCOC1CCCC1 7a_100000738311_100000039644 [0,1,0,1,0,0|2,0,0]=4 11888 B14R1.40 C=COCCSCCCC1CCCC1 62a_100000039644_100011713738 [0,1,0,1,0,0|1,0,0]=3 11889 B14R1.40 C=COCCSCCCC1CCCC1 62a_100011713738_100000039644 [0,1,0,1,0,0|1,0,0]=3 11890 B14R1.40 C=COCCSCCCN1CCCC1 62a_100000039644_100011445909 [0,1,0,1,0,0|2,0,0]=4 11891 B14R1.40 C=COCCSCCCN1CCCC1 62a_100016991639_100000039644 [0,1,0,1,0,0|2,0,0]=4 11892 B14R1.40 CC=CCCCOCCC1CCCC1 34a_100020645299_100000760354 [0,1,0,1,0,0|2,0,0]=4 11893 B14R1.40 CCCCCCCCCN1CC=CC1 269982a_100015195280_100000210670 [0,1,0,1,0,0|2,0,0]=4 11894 B14R1.40 CCCCCCCCNC1CC=CC1 2230a_100015188752_100000210759 [0,1,0,1,0,0|2,0,0]=4 11895 B14R1.40 CCCCCCCCNC1CCOC1 2230a_100000229939_100000731011 [0,1,0,1,0,0|1,0,1]=4 11896 B14R1.40 CCCCCCCCNC1CCOC1 270004a_100000229939_100000752484 [0,1,0,1,0,0|1,0,1]=4 11897 B14R1.40 CCCCCCCCNC1CCOC1 34a_100000229939_100000690089 [0,1,0,1,0,0|1,0,1]=4 11898 B14R1.40 CCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210759 [0,1,0,1,0,0|1,0,1]=4 11899 B14R1.40 CCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210759 [0,1,0,1,0,0|1,0,1]=4 11900 B14R1.40 CCCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210759 [0,1,0,1,0,0|1,0,1]=4 11901 B14R1.40 CCCCCCCCOC1CCOC1 34a_100000210232_100000690089 [0,1,0,1,0,0|1,0,1]=4 11902 B14R1.40 CCCCCCCCOC1CCOC1 7a_100000210232_100000731011 [0,1,0,1,0,0|1,0,1]=4 11903 B14R1.40 CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210759 [0,1,0,1,0,0|1,0,1]=4 11904 B14R1.40 CCCCCCCCSC1CCOC1 62a_100000210759_100000690089 [0,1,0,1,0,0|1,0,1]=4 11905 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000229938_100000702531 [0,1,0,1,0,0|1,0,1]=4 11906 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000737293_100000210681 [0,1,0,1,0,0|1,0,1]=4 11907 B14R1.40 CCCCCCCNCC1CCOC1 34a_100000737293_100000210614 [0,1,0,1,0,0|1,0,1]=4 11908 B14R1.40 CCCCCCCOCC1CC=CC1 34a_100000688395_100000210614 [0,1,0,1,0,0|2,0,0]=4 11909 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000210272_100011261433 [0,1,0,1,0,0|1,0,1]=4 11910 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000740260_100000210614 [0,1,0,1,0,0|1,0,1]=4 11911 B14R1.40 CCCCCCCOCC1CCOC1 7a_100000210272_100000702531 [0,1,0,1,0,0|1,0,1]=4 11912 B14R1.40 CCCCCCCOCC1COCO1 34a_100011216627_100000210614 [0,1,0,1,0,0|0,0,2]=4 11913 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000210614_100000702531 [0,1,0,1,0,0|1,0,1]=4 11914 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000702531_100000210316 [0,1,0,1,0,0|1,0,1]=4 11915 B14R1.40 CCCCCCOCCC1CCOC1 34a_100011879284_100000210314 [0,1,0,1,0,0|1,0,1]=4 11916 B14R1.40 CCOCCCNCCC1CCCC1 2230a_100000210961_100000760354 [0,1,0,1,0,0|1,0,1]=4 11917 B14R1.40 CCOCCCNCCC1CCCC1 2230a_100000739158_100012232248 [0,1,0,1,0,0|1,0,1]=4 11918 B14R1.40 CCOCCCNCCC1CCCC1 34a_100000210961_100000760354 [0,1,0,1,0,0|1,0,1]=4 11919 B14R1.40 CCOCCCNCCC1CCCC1 34a_100000739158_100012232248 [0,1,0,1,0,0|1,0,1]=4 11920 B14R1.40 CCOCCCOCCC1CCCC1 34a_100000749090_100012232248 [0,1,0,1,0,0|1,0,1]=4 11921 B14R1.40 CCOCCCOCCC1CCCC1 34a_100000757476_100000760354 [0,1,0,1,0,0|1,0,1]=4 11922 B14R1.40 CCOCCCOCCC1CCCC1 7a_100000749090_100012232248 [0,1,0,1,0,0|1,0,1]=4 11923 B14R1.40 CCOCCCOCCC1CCCC1 7a_100000757476_100000760354 [0,1,0,1,0,0|1,0,1]=4 11924 B14R1.40 CCOCCCSCCC1CCCC1 62a_100000760354_100012232248 [0,1,0,1,0,0|1,0,1]=4 11925 B14R1.40 CCOCCCSCCC1CCCC1 62a_100012232248_100000760354 [0,1,0,1,0,0|1,0,1]=4 11926 B14R1.40 CCOCCNCCCC1CCCC1 2230a_100000736752_100011215890 [0,1,0,1,0,0|1,0,1]=4 11927 B14R1.40 CCOCCNCCCC1CCCC1 2230a_102516460346_100011713738 [0,1,0,1,0,0|1,0,1]=4 11928 B14R1.40 CCOCCNCCCC1CCCC1 34a_100000736752_100000210147 [0,1,0,1,0,0|1,0,1]=4 11929 B14R1.40 CCOCCNCCCC1CCCC1 34a_102516460346_100011713738 [0,1,0,1,0,0|1,0,1]=4 11930 B14R1.40 CCOCCOCCCC1CCCC1 34a_100000210136_100011713738 [0,1,0,1,0,0|1,0,1]=4 11931 B14R1.40 CCOCCOCCCC1CCCC1 34a_100011215328_100000210147 [0,1,0,1,0,0|1,0,1]=4 11932 B14R1.40 CCOCCOCCCC1CCCC1 7a_100000210136_100011713738 [0,1,0,1,0,0|1,0,1]=4 11933 B14R1.40 CCOCCOCCCC1CCCC1 7a_100011215328_100011215890 [0,1,0,1,0,0|1,0,1]=4 11934 B14R1.40 CCOCCSCCCC1CCCC1 62a_100000210147_100011713738 [0,1,0,1,0,0|1,0,1]=4 11935 B14R1.40 CCOCCSCCCC1CCCC1 62a_100011713738_100011215890 [0,1,0,1,0,0|1,0,1]=4 11936 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [0,1,0,1,0,0|1,0,0]=3 11937 B14R1.40 O=CCCCCCNCC1CCOC1 2230a_100000737293_100000139337 [0,1,0,1,0,0|2,0,0]=4 11938 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [0,1,0,1,0,0|2,0,0]=4 11939 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [0,1,0,1,0,0|1,0,0]=3 11940 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [0,1,0,1,0,0|2,0,0]=4 11941 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [0,1,0,1,0,0|1,0,0]=3 11942 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [0,1,0,1,0,0|1,0,0]=3 11943 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [0,1,0,1,0,0|2,0,0]=4 11944 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [0,1,0,1,0,0|2,0,0]=4 11945 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000139337_100000702531 [0,1,0,1,0,0|2,0,0]=4 11946 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000702531_100000139337 [0,1,0,1,0,0|2,0,0]=4 11947 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [0,1,0,1,0,0|1,0,0]=3 11948 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [0,1,0,1,0,0|1,0,0]=3 11949 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [0,1,0,1,0,0|1,0,0]=3 11950 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [0,1,0,1,0,0|1,0,0]=3 11951 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000139335_100000004467 [0,1,0,1,0,0|2,0,0]=4 11952 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000700749_100000139335 [0,1,0,1,0,0|2,0,0]=4 11953 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [0,1,0,1,0,0|1,0,0]=3 11954 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [0,1,0,1,0,0|1,0,0]=3 11955 B14R1.40 O=CCCCOCCOC1CCCC1 7a_100000738311_200011292268 [0,1,0,1,0,0|2,0,0]=4 11956 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [0,1,0,1,0,0|1,0,0]=3 11957 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [0,1,0,1,0,0|1,0,0]=3 11958 B14R1.40 O=CCCCSCCCN1CCCC1 62a_100016991639_200011292268 [0,1,0,1,0,0|2,0,0]=4 11959 B14R1.40 O=CCCCSCCCN1CCCC1 62a_200011292268_100011445909 [0,1,0,1,0,0|2,0,0]=4 11960 B14R1.40 O=CCOCCCCOC1CCCO1 34a_100011018183_200009817547 [0,1,0,1,0,0|2,0,0]=4 11961 B14R1.40 O=CCOCCCCOC1CCCO1 7a_100011018183_200015260668 [0,1,0,1,0,0|2,0,0]=4 11962 B14R1.216 C#CCCCCCOC1CCOC1=O 34a_100000766912_100000211211 [0,1,0,1,0,0|0,0,2]=4 11963 B14R1.216 C#CCCCCCOC1CCOC1=O 7a_100000766912_100000211211 [0,1,0,1,0,0|0,0,2]=4 11964 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100000211211_100012094781 [0,1,0,1,0,0|0,0,2]=4 11965 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100012094781_100000211211 [0,1,0,1,0,0|0,0,2]=4 11966 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215473 [0,1,0,1,0,0|2,0,0]=4 11967 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215473 [0,1,0,1,0,0|2,0,0]=4 11968 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215473 [0,1,0,1,0,0|2,0,0]=4 11969 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215473 [0,1,0,1,0,0|2,0,0]=4 11970 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215473 [0,1,0,1,0,0|2,0,0]=4 11971 B14R1.216 C=CCCCCCOC1CCCC1C 34a_100011216460_100000700193 [0,1,0,1,0,0|2,0,0]=4 11972 B14R1.216 C=CCCCCCOC1CCCC1C 7a_100011216460_100000700193 [0,1,0,1,0,0|2,0,0]=4 11973 B14R1.216 C=CCCCCCOC1CCOC1=O 34a_100011216702_100000211211 [0,1,0,1,0,0|0,0,2]=4 11974 B14R1.216 C=CCCCCCOC1CCOC1=O 7a_100011216702_100000211211 [0,1,0,1,0,0|0,0,2]=4 11975 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000211211_100000700193 [0,1,0,1,0,0|0,0,2]=4 11976 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000700193_100000211211 [0,1,0,1,0,0|0,0,2]=4 11977 B14R1.216 C=COCCOCCC1CCCN1C 34a_100000033082_100000005710 [0,1,0,1,0,0|2,0,0]=4 11978 B14R1.216 C=COCCOCCC1CCCN1C 34a_100011215177_100000039644 [0,1,0,1,0,0|2,0,0]=4 11979 B14R1.216 C=COCCOCCC1CCCN1C 7a_100011215177_100000039644 [0,1,0,1,0,0|2,0,0]=4 11980 B14R1.216 C=COCCSCCC1CCCN1C 62a_100000005710_100000039644 [0,1,0,1,0,0|2,0,0]=4 11981 B14R1.216 C=COCCSCCC1CCCN1C 62a_100000039644_100000005710 [0,1,0,1,0,0|2,0,0]=4 11982 B14R1.216 CC/C=C/CCCOC1CCOC1=O 34a_100016287902_100000211211 [0,1,0,1,0,0|0,0,2]=4 11983 B14R1.216 CC/C=C/CCCOC1CCOC1=O 7a_100016287902_100000211211 [0,1,0,1,0,0|0,0,2]=4 11984 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [0,1,0,1,0,0|1,0,0]=3 11985 B14R1.216 CCCC#CCCOC1CCOC1=O 34a_100000042726_100000211211 [0,1,0,1,0,0|0,0,2]=4 11986 B14R1.216 CCCC#CCCOC1CCOC1=O 7a_100000042726_100000211211 [0,1,0,1,0,0|0,0,2]=4 11987 B14R1.216 CCCC/C=C/COC1CCOC1=O 34a_200016272032_100000211211 [0,1,0,1,0,0|0,0,2]=4 11988 B14R1.216 CCCC/C=C/COC1CCOC1=O 7a_200016272032_100000211211 [0,1,0,1,0,0|0,0,2]=4 11989 B14R1.216 CCCCC#CCOC1CCOC1=O 34a_200000034558_100000211211 [0,1,0,1,0,0|0,0,2]=4 11990 B14R1.216 CCCCC#CCOC1CCOC1=O 7a_200000034558_100000211211 [0,1,0,1,0,0|0,0,2]=4 11991 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,1,0,1,0,0|1,0,0]=3 11992 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,1,0,1,0,0|1,0,0]=3 11993 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,1,0,1,0,0|1,0,0]=3 11994 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,1,0,1,0,0|0,0,0]=2 11995 B14R1.216 CCCCCCCNC1CCOC1C 270004a_100000229938_100000691750 [0,1,0,1,0,0|1,0,1]=4 11996 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,1,0,1,0,0|1,0,0]=3 11997 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,1,0,1,0,0|1,0,0]=3 11998 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,1,0,1,0,0|1,0,0]=3 11999 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,1,0,1,0,0|1,0,0]=3 12000 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,1,0,1,0,0|1,0,0]=3 12001 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,1,0,1,0,0|0,0,0]=2 12002 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,1,0,1,0,0|0,0,0]=2 12003 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,1,0,1,0,0|1,0,0]=3 12004 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,1,0,1,0,0|1,0,0]=3 12005 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,1,0,1,0,0|1,0,0]=3 12006 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,1,0,1,0,0|0,0,0]=2 12007 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,1,0,1,0,0|0,0,0]=2 12008 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,1,0,1,0,0|1,0,0]=3 12009 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,1,0,1,0,0|2,0,0]=4 12010 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,1,0,1,0,0|2,0,0]=4 12011 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,1,0,1,0,0|2,0,0]=4 12012 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,1,0,1,0,0|2,0,0]=4 12013 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,1,0,1,0,0|2,0,0]=4 12014 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,1,0,1,0,0|2,0,0]=4 12015 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,1,0,1,0,0|2,0,0]=4 12016 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,1,0,1,0,0|2,0,0]=4 12017 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,1,0,1,0,0|2,0,0]=4 12018 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,1,0,1,0,0|2,0,0]=4 12019 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,1,0,1,0,0|2,0,0]=4 12020 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,1,0,1,0,0|2,0,0]=4 12021 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,1,0,1,0,0|2,0,0]=4 12022 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,1,0,1,0,0|2,0,0]=4 12023 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,1,0,1,0,0|2,0,0]=4 12024 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,1,0,1,0,0|2,0,0]=4 12025 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,1,0,1,0,0|2,0,0]=4 12026 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,1,0,1,0,0|2,0,0]=4 12027 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,1,0,1,0,0|2,0,0]=4 12028 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,1,0,1,0,0|2,0,0]=4 12029 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 12030 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 12031 B14R1.216 CCCCOCCN[C@@H]1CONC1=O 2230a_100000765999_100000743108 [0,1,0,1,0,0|2,0,0]=4 12032 B14R1.216 CCCCOCCN[C@@H]1CONC1=O 34a_100000765999_100000743108 [0,1,0,1,0,0|2,0,0]=4 12033 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,1,0,1,0,0|2,0,0]=4 12034 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,1,0,1,0,0|2,0,0]=4 12035 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,1,0,1,0,0|2,0,0]=4 12036 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,1,0,1,0,0|1,0,0]=3 12037 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,1,0,1,0,0|1,0,0]=3 12038 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,1,0,1,0,0|2,0,0]=4 12039 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,1,0,1,0,0|2,0,0]=4 12040 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,1,0,1,0,0|2,0,0]=4 12041 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,1,0,1,0,0|1,0,0]=3 12042 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,1,0,1,0,0|1,0,0]=3 12043 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,1,0,1,0,0|2,0,0]=4 12044 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,1,0,1,0,0|2,0,0]=4 12045 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,1,0,1,0,0|1,0,0]=3 12046 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,1,0,1,0,0|2,0,0]=4 12047 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,1,0,1,0,0|2,0,0]=4 12048 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,1,0,1,0,0|1,0,0]=3 12049 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,1,0,1,0,0|1,0,0]=3 12050 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,1,0,1,0,0|2,0,0]=4 12051 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,1,0,1,0,0|2,0,0]=4 12052 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,1,0,1,0,0|1,0,0]=3 12053 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,1,0,1,0,0|1,0,0]=3 12054 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,1,0,1,0,0|2,0,0]=4 12055 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,1,0,1,0,0|2,0,0]=4 12056 B14R1.216 CN1CCCC1CCOCCCC=O 7a_100011215177_200011292268 [0,1,0,1,0,0|2,0,0]=4 12057 B14R1.216 CN1CCCC1CCSCCCC=O 62a_100000005710_200011292268 [0,1,0,1,0,0|2,0,0]=4 12058 B14R1.216 CN1CCCC1CCSCCCC=O 62a_200011292268_100000005710 [0,1,0,1,0,0|2,0,0]=4 12059 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,1,0,1,0,0|2,0,0]=4 12060 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,1,0,1,0,0|1,0,0]=3 12061 B14R1.216 CNCCOCCOC1CCOC1=O 34a_100000228057_100000211211 [0,1,0,1,0,0|2,0,0]=4 12062 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,1,0,1,0,0|2,0,0]=4 12063 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,1,0,1,0,0|2,0,0]=4 12064 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,1,0,1,0,0|1,0,0]=3 12065 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,1,0,1,0,0|1,0,0]=3 12066 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,1,0,1,0,0|2,0,0]=4 12067 B14R1.216 COCCOCCNC1CCOC1=O 2230a_100000745349_100000211211 [0,1,0,1,0,0|2,0,0]=4 12068 B14R1.216 COCCOCCNC1CCOC1=O 34a_100000745349_100000211211 [0,1,0,1,0,0|2,0,0]=4 12069 B14R1.216 COCCOCCOC1CCOC1=O 34a_100011215163_100000211211 [0,1,0,1,0,0|2,0,0]=4 12070 B14R1.216 COCCOCCOC1CCOC1=O 7a_100011215163_100000211211 [0,1,0,1,0,0|2,0,0]=4 12071 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000211211_100000695917 [0,1,0,1,0,0|2,0,0]=4 12072 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000695917_100000211211 [0,1,0,1,0,0|2,0,0]=4 12073 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100000211211_100009813376 [0,1,0,1,0,0|1,0,1]=4 12074 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100009813376_100000211211 [0,1,0,1,0,0|1,0,1]=4 12075 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,1,0,1,0,0|2,0,0]=4 12076 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 12077 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,1,0,1,0,0|2,0,0]=4 12078 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,1,0,1,0,0|2,0,0]=4 12079 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,1,0,1,0,0|2,0,0]=4 12080 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,1,0,1,0,0|2,0,0]=4 12081 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,1,0,1,0,0|2,0,0]=4 12082 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,1,0,1,0,0|2,0,0]=4 12083 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,1,0,1,0,0|2,0,0]=4 12084 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,1,0,1,0,0|2,0,0]=4 12085 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,1,0,1,0,0|2,0,0]=4 12086 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,1,0,1,0,0|2,0,0]=4 12087 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,1,0,1,0,0|2,0,0]=4 12088 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,1,0,1,0,0|2,0,0]=4 12089 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,1,0,1,0,0|2,0,0]=4 12090 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,1,0,1,0,0|2,0,0]=4 12091 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,1,0,1,0,0|2,0,0]=4 12092 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,1,0,1,0,0|2,0,0]=4 12093 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 12094 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 12095 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 12096 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 12097 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,1,0,1,0,0|2,0,0]=4 12098 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,1,0,1,0,0|2,0,0]=4 12099 B14R1.216 O=C1NOC[C@H]1NCCCCCCF 2230a_100000765999_100015922095 [0,1,0,1,0,0|2,0,0]=4 12100 B14R1.216 O=C1NOC[C@H]1NCCCCCCF 34a_100000765999_100015922095 [0,1,0,1,0,0|2,0,0]=4 12101 B14R1.216 O=C1NOC[C@H]1NCCCCCCO 2230a_100000765999_100000766143 [0,1,0,1,0,0|2,0,0]=4 12102 B14R1.216 O=C1NOC[C@H]1NCCCCCCO 34a_100000765999_100000766143 [0,1,0,1,0,0|2,0,0]=4 12103 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 12104 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 12105 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,1,0,1,0,0|1,0,0]=3 12106 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,1,0,1,0,0|1,0,0]=3 12107 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 12108 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 12109 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,1,0,1,0,0|1,0,0]=3 12110 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,1,0,1,0,0|1,0,0]=3 12111 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,1,0,1,0,0|1,0,0]=3 12112 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,1,0,1,0,0|1,0,0]=3 12113 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,1,0,1,0,0|1,0,0]=3 12114 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 12115 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000139337_100000211211 [0,1,0,1,0,0|1,0,1]=4 12116 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000211211_100000139337 [0,1,0,1,0,0|1,0,1]=4 12117 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [0,1,0,1,0,0|2,0,0]=4 12118 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [0,1,0,1,0,0|2,0,0]=4 12119 B14R1.597 CCCC(C)NC1CCCCNC1=O 2230a_100000698827_100000766640 [0,1,0,1,0,0|2,0,0]=4 12120 B14R1.597 CCCC(C)NC1CCCCNC1=O 2230a_100000741246_100000735217 [0,1,0,1,0,0|2,0,0]=4 12121 B14R1.597 CCCC(C)NC1CCCCNC1=O 270004a_100000698827_100000211909 [0,1,0,1,0,0|2,0,0]=4 12122 B14R1.597 CCCC(C)NC1CCCCNC1=O 34a_100000698827_100000766640 [0,1,0,1,0,0|2,0,0]=4 12123 B14R1.597 CCCC(C)OC1CCCCCC1=O 7a_100000764384_100000243696 [0,1,0,1,0,0|2,0,0]=4 12124 B14R1.597 CCCC(C)OC1CCCCNC1=O 7a_100000764384_100000735217 [0,1,0,1,0,0|2,0,0]=4 12125 B14R1.597 CCCC(C)SC1CCCCCC1=O 62a_100000243696_100000766640 [0,1,0,1,0,0|2,0,0]=4 12126 B14R1.597 CCCC(C)SC1CCCCCC1=O 62a_100000766640_100000243696 [0,1,0,1,0,0|2,0,0]=4 12127 B14R1.597 CCCC(C)SC1CCCCNC1=O 62a_100000735217_100000766640 [0,1,0,1,0,0|2,0,0]=4 12128 B14R1.597 CCCC(C)SC1CCCCNC1=O 62a_100000766640_100000735217 [0,1,0,1,0,0|2,0,0]=4 12129 B14R1.598 CCCC(C)CNC1CCCNC1=O 2230a_100000747585_100011216630 [0,1,0,1,0,0|2,0,0]=4 12130 B14R1.598 CCCC(C)CNC1CCCNC1=O 270004a_100000747585_100000243154 [0,1,0,1,0,0|2,0,0]=4 12131 B14R1.598 CCCC(C)CNC1CCCNC1=O 34a_100000747585_100011216630 [0,1,0,1,0,0|2,0,0]=4 12132 B14R1.598 CCCC(C)COC1CCCCC1=O 34a_100000688023_100000754470 [0,1,0,1,0,0|2,0,0]=4 12133 B14R1.598 CCCC(C)COC1CCCCC1=O 34a_100011214950_100011216630 [0,1,0,1,0,0|2,0,0]=4 12134 B14R1.598 CCCC(C)COC1CCCCC1=O 7a_100000688023_100000204591 [0,1,0,1,0,0|2,0,0]=4 12135 B14R1.598 CCCC(C)COC1CCCNC1=O 34a_100000073722_100011216630 [0,1,0,1,0,0|2,0,0]=4 12136 B14R1.598 CCCC(C)COC1CCCNC1=O 34a_100000688023_100000687798 [0,1,0,1,0,0|2,0,0]=4 12137 B14R1.598 CCCC(C)COC1CCCNC1=O 7a_100000688023_100000687798 [0,1,0,1,0,0|2,0,0]=4 12138 B14R1.598 CCCC(C)CSC1CCCCC1=O 62a_100000204591_100011216630 [0,1,0,1,0,0|2,0,0]=4 12139 B14R1.598 CCCC(C)CSC1CCCCC1=O 62a_100011216630_100000204591 [0,1,0,1,0,0|2,0,0]=4 12140 B14R1.598 CCCC(C)CSC1CCCNC1=O 62a_100000687798_100011216630 [0,1,0,1,0,0|2,0,0]=4 12141 B14R1.598 CCCC(C)CSC1CCCNC1=O 62a_100011216630_100000687798 [0,1,0,1,0,0|2,0,0]=4 12142 B14R1.598 CCCC(C)OCC1CCCCC1=O 34a_100009861125_100000766640 [0,1,0,1,0,0|2,0,0]=4 12143 B14R1.598 CCCC(C)OCC1CCCCC1=O 7a_100009861125_100000766640 [0,1,0,1,0,0|2,0,0]=4 12144 B14R1.598 CCC[C@H](N)COC1CCCCC1=O 34a_100000732646_100000754470 [0,1,0,1,0,0|2,0,0]=4 12145 B14R1.598 CCC[C@H](N)COC1CCCNC1=O 34a_100000732646_100000687798 [0,1,0,1,0,0|2,0,0]=4 12146 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,1,0,1,0,0|2,0,0]=4 12147 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,1,0,1,0,0|2,0,0]=4 12148 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,1,0,1,0,0|2,0,0]=4 12149 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,1,0,1,0,0|2,0,0]=4 12150 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,1,0,1,0,0|2,0,0]=4 12151 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,1,0,1,0,0|2,0,0]=4 12152 B14R1.767 O=CCCCCCNCC1CC(C1)O 2230a_100016992100_100000139337 [0,1,0,1,0,0|2,0,0]=4 12153 B14R1.774 C=COCCOC1CCC(CC1C)C 34a_100011539931_100000039644 [0,1,0,1,0,0|2,0,0]=4 12154 B14R1.774 C=COCCOC1CCC(CC1C)C 7a_100011539931_100000039644 [0,1,0,1,0,0|2,0,0]=4 12155 B14R1.774 CC1CCC(C(C1)C)OCCCC=O 7a_100011539931_200011292268 [0,1,0,1,0,0|2,0,0]=4 12156 B14R1.948 CCCC(C)CCOC1CCCC1=O 34a_100011217855_100000709159 [0,1,0,1,0,0|2,0,0]=4 12157 B14R1.948 CCCC(C)CCOC1CCCC1=O 7a_100011217855_100000211823 [0,1,0,1,0,0|2,0,0]=4 12158 B14R1.948 CCCC(C)CCOC1CCOC1=O 34a_100011217855_100000211211 [0,1,0,1,0,0|1,0,0]=3 12159 B14R1.948 CCCC(C)CCOC1CCOC1=O 7a_100011217855_100000211211 [0,1,0,1,0,0|1,0,0]=3 12160 B14R1.948 CCCC(C)COCC1CCNC1=O 34a_100000133458_100011216630 [0,1,0,1,0,0|2,0,0]=4 12161 B14R1.948 CCC[C@H](N)CCOC1CCCC1=O 34a_100015193777_100000709159 [0,1,0,1,0,0|2,0,0]=4 12162 B14R1.948 CCC[C@H](N)CCOC1CCOC1=O 34a_100015193777_100000211211 [0,1,0,1,0,0|1,0,0]=3 12163 B14R1.963 CCCC(C)CCCOC1CCC1=O 34a_100011713154_100009892977 [0,1,0,1,0,0|2,0,0]=4 12164 B14R1.963 CCCC(C)CCCOC1CCC1=O 7a_100011713154_100009892977 [0,1,0,1,0,0|2,0,0]=4 12165 B14R1.963 CCCC(C)COCCC1CCC1=O 7a_100000688023_200016118888 [0,1,0,1,0,0|2,0,0]=4 12166 B14R1.963 CCCC(C)CSCCC1CCC1=O 62a_100011216630_200016118888 [0,1,0,1,0,0|2,0,0]=4 12167 B14R1.963 CCCC(C)CSCCC1CCC1=O 62a_200016118888_100011216630 [0,1,0,1,0,0|2,0,0]=4 12168 B14R1.1253 CC1CCCN(CC1)CCCCC=O 2230a_100025706717_100000139335 [0,1,0,1,0,0|2,0,0]=4 12169 B14R1.1253 CC1CCCN(CC1)CCCCC=O 269982a_100025706717_100000139335 [0,1,0,1,0,0|2,0,0]=4 12170 B14R1.1253 O=CCCCCN1CCCC(CC1)O 2230a_100015186869_100000139335 [0,1,0,1,0,0|2,0,0]=4 12171 B14R1.1253 O=CCCCCN1CCCC(CC1)O 269982a_100015186869_100000139335 [0,1,0,1,0,0|2,0,0]=4 12172 B14R1.3126 CC1CC(C(=O)O1)NCCCCCO 2230a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 12173 B14R1.3126 CC1CC(C(=O)O1)NCCCCCO 34a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 12174 B14R1.3126 CC1CC(C(=O)O1)OCCCCCBr 34a_100000746331_200000216747 [0,1,0,1,0,0|2,0,0]=4 12175 B14R1.3126 CC1CC(C(=O)O1)OCCCCCBr 7a_100000746331_200000216747 [0,1,0,1,0,0|2,0,0]=4 12176 B14R1.3126 CC1CC(C(=O)O1)OCCCCCCl 34a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 12177 B14R1.3126 CC1CC(C(=O)O1)OCCCCCCl 7a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 12178 B14R1.3126 CC1CC(C(=O)O1)OCCCCCI 34a_200012148887_200000216747 [0,1,0,1,0,0|2,0,0]=4 12179 B14R1.3126 CC1CC(C(=O)O1)OCCCCCI 7a_200012148887_200000216747 [0,1,0,1,0,0|2,0,0]=4 12180 B14R1.3126 CC1CC(C(=O)O1)OCCCCCN 34a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 12181 B14R1.3126 CC1CC(C(=O)O1)SCCCCCF 62a_100000729378_200000216747 [0,1,0,1,0,0|2,0,0]=4 12182 B14R1.3126 CC1CC(C(=O)O1)SCCCCCF 62a_200000216747_100000729378 [0,1,0,1,0,0|2,0,0]=4 12183 B14R1.3126 CC1CC(C(=O)O1)SCCCCCO 62a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 12184 B14R1.3126 CC1CC(C(=O)O1)SCCCCCO 62a_200000216747_100000746330 [0,1,0,1,0,0|2,0,0]=4 12185 B14R1.3126 CCCCCCNC1CC(OC1=O)C 2230a_100000210581_200000216747 [0,1,0,1,0,0|1,0,0]=3 12186 B14R1.3126 CCCCCCOC1CC(OC1=O)C 34a_100000210259_200000216747 [0,1,0,1,0,0|1,0,0]=3 12187 B14R1.3126 CCCCCCOC1CC(OC1=O)C 7a_100000210259_200000216747 [0,1,0,1,0,0|1,0,0]=3 12188 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_100000210314_200000216747 [0,1,0,1,0,0|1,0,0]=3 12189 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210757 [0,1,0,1,0,0|1,0,0]=3 12190 B14R1.3126 CCCCOCSC1CC(OC1=O)C 62a_100011995733_200000216747 [0,1,0,1,0,0|2,0,0]=4 12191 B14R1.3126 CCCCOCSC1CC(OC1=O)C 62a_200000216747_100011995733 [0,1,0,1,0,0|2,0,0]=4 12192 B14R1.3126 CCCOCCNC1CC(OC1=O)C 2230a_100161115042_200000216747 [0,1,0,1,0,0|2,0,0]=4 12193 B14R1.3126 CCCOCCNC1CC(OC1=O)C 34a_100161115042_200000216747 [0,1,0,1,0,0|2,0,0]=4 12194 B14R1.3126 CCCOCCOC1CC(OC1=O)C 34a_100000752267_200000216747 [0,1,0,1,0,0|2,0,0]=4 12195 B14R1.3126 CCCOCCOC1CC(OC1=O)C 7a_100000752267_200000216747 [0,1,0,1,0,0|2,0,0]=4 12196 B14R1.3126 CCCOCCSC1CC(OC1=O)C 62a_100011215938_200000216747 [0,1,0,1,0,0|2,0,0]=4 12197 B14R1.3126 CCCOCCSC1CC(OC1=O)C 62a_200000216747_100011215938 [0,1,0,1,0,0|2,0,0]=4 12198 B14R1.3126 CCCSCCNC1CC(OC1=O)C 2230a_100020603323_200000216747 [0,1,0,1,0,0|2,0,0]=4 12199 B14R1.3126 CCCSCCOC1CC(OC1=O)C 34a_200000230433_200000216747 [0,1,0,1,0,0|2,0,0]=4 12200 B14R1.3126 CCCSCCOC1CC(OC1=O)C 7a_200000230433_200000216747 [0,1,0,1,0,0|2,0,0]=4 12201 B14R1.3126 CCOCCCNC1CC(OC1=O)C 2230a_100000210961_200000216747 [0,1,0,1,0,0|2,0,0]=4 12202 B14R1.3126 CCOCCCNC1CC(OC1=O)C 34a_100000210961_200000216747 [0,1,0,1,0,0|2,0,0]=4 12203 B14R1.3126 CCOCCCOC1CC(OC1=O)C 34a_100000757476_200000216747 [0,1,0,1,0,0|2,0,0]=4 12204 B14R1.3126 CCOCCCOC1CC(OC1=O)C 7a_100000757476_200000216747 [0,1,0,1,0,0|2,0,0]=4 12205 B14R1.3126 CCOCCCSC1CC(OC1=O)C 62a_100012232248_200000216747 [0,1,0,1,0,0|2,0,0]=4 12206 B14R1.3126 CCOCCCSC1CC(OC1=O)C 62a_200000216747_100012232248 [0,1,0,1,0,0|2,0,0]=4 12207 B14R1.3126 CCSCCCOC1CC(OC1=O)C 34a_100011216438_200000216747 [0,1,0,1,0,0|2,0,0]=4 12208 B14R1.3126 CCSCCCOC1CC(OC1=O)C 7a_100011216438_200000216747 [0,1,0,1,0,0|2,0,0]=4 12209 B14R1.3126 COCCCCOC1CC(OC1=O)C 34a_100000740925_200000216747 [0,1,0,1,0,0|2,0,0]=4 12210 B14R1.3126 COCCCCSC1CC(OC1=O)C 62a_100000730899_200000216747 [0,1,0,1,0,0|2,0,0]=4 12211 B14R1.3126 COCCCCSC1CC(OC1=O)C 62a_200000216747_100000730899 [0,1,0,1,0,0|2,0,0]=4 12212 B14R1.3126 CSCCCCOC1CC(OC1=O)C 34a_100011217163_200000216747 [0,1,0,1,0,0|2,0,0]=4 12213 B14R1.3126 CSCCCCOC1CC(OC1=O)C 7a_100011217163_200000216747 [0,1,0,1,0,0|2,0,0]=4 12214 B14R1.6816 O=CCCCCCNCC(O)C1CC1 2230a_100000751198_100000139337 [0,1,0,1,0,0|2,0,0]=4 12215 B14R1.9622 C=COCCCCOCC1(CCC1)C 34a_100000031558_100000726658 [0,1,0,1,0,0|2,0,0]=4 12216 B14R1.9622 C=COCCCCOCC1(CCC1)C 7a_100000031558_100000726658 [0,1,0,1,0,0|2,0,0]=4 12217 B14R1.9622 CC1(CCC1)CNCCCCCC=O 2230a_100000706607_100000139337 [0,1,0,1,0,0|2,0,0]=4 12218 B14R1.9622 CC1(CCC1)CSCCCCCC=O 62a_100000139337_100000726658 [0,1,0,1,0,0|2,0,0]=4 12219 B14R1.9622 CC1(CCC1)CSCCCCCC=O 62a_100000726658_100000139337 [0,1,0,1,0,0|2,0,0]=4 12220 B14R1.9622 O=CCCCCCNCC1(CCC1)O 2230a_100000752638_100000139337 [0,1,0,1,0,0|2,0,0]=4 12221 B14R1.96 CC(=O)OCCN1CCCCC1CO 269982a_100000210821_100009814007 [0,1,0,1,0,0|2,0,0]=4 12222 B14R1.96 CC(=O)OCCN1CCCCC1CO 34a_100000210821_100009814007 [0,1,0,1,0,0|2,0,0]=4 12223 B14R1.96 CC(=O)OCOC1CCCCC1CN 34a_100011216029_100009813279 [0,1,0,1,0,0|2,0,0]=4 12224 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,1,0,1,0,0|2,0,0]=4 12225 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,1,0,1,0,0|2,0,0]=4 12226 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,1,0,1,0,0|2,0,0]=4 12227 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,1,0,1,0,0|2,0,0]=4 12228 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,1,0,1,0,0|1,0,0]=3 12229 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,1,0,1,0,0|2,0,0]=4 12230 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,1,0,1,0,0|2,0,0]=4 12231 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,1,0,1,0,0|2,0,0]=4 12232 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,1,0,1,0,0|2,0,0]=4 12233 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 12234 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 12235 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 12236 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 12237 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 12238 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,1,0,1,0,0|2,0,0]=4 12239 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 12240 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 12241 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,1,0,1,0,0|1,0,0]=3 12242 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,1,0,1,0,0|1,0,0]=3 12243 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,1,0,1,0,0|1,0,0]=3 12244 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,1,0,1,0,0|1,0,0]=3 12245 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 12246 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,1,0,1,0,0|2,0,0]=4 12247 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 12248 B14R1.96 CC[C@H]1COCCN1CCOC(=O)C 269982a_100016988097_100009814007 [0,1,0,1,0,0|2,0,0]=4 12249 B14R1.96 CC[C@H]1COCCN1CCOC(=O)C 34a_100016988097_100009814007 [0,1,0,1,0,0|2,0,0]=4 12250 B14R1.96 CC[C@H]1COCCN1CCOC(=O)N 269982a_100016988097_200011214921 [0,1,0,1,0,0|2,0,0]=4 12251 B14R1.96 CC[C@H]1COCCN1CCOC(=O)N 34a_100016988097_200011214921 [0,1,0,1,0,0|2,0,0]=4 12252 B14R1.96 CN[C@@H]1CCCC[C@H]1OCOC(=O)C 34a_100000708425_100009813279 [0,1,0,1,0,0|2,0,0]=4 12253 B14R1.96 COC1CCCCC1NCOC(=O)C 34a_100011208099_100009813279 [0,1,0,1,0,0|2,0,0]=4 12254 B14R1.96 CO[C@H]1CCCC[C@@H]1OCOC(=O)C 34a_200009815850_100009813279 [0,1,0,1,0,0|2,0,0]=4 12255 B14R1.96 NC(=O)OCCN1CCCCC1CO 269982a_100000210821_200011214921 [0,1,0,1,0,0|2,0,0]=4 12256 B14R1.96 NC(=O)OCCN1CCCCC1CO 34a_100000210821_200011214921 [0,1,0,1,0,0|2,0,0]=4 12257 B14R1.108 CC(=O)OCCCN1CCC[C@@H]1CO 269982a_100000745186_100000042594 [0,1,0,1,0,0|2,0,0]=4 12258 B14R1.108 CC(=O)OCCCN1CCC[C@@H]1CO 34a_100000745186_100000042594 [0,1,0,1,0,0|2,0,0]=4 12259 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,1,0,1,0,0|2,0,0]=4 12260 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,1,0,1,0,0|2,0,0]=4 12261 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,1,0,1,0,0|2,0,0]=4 12262 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,1,0,1,0,0|1,1,0]=4 12263 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,1,0,1,0,0|2,0,0]=4 12264 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,1,0,1,0,0|2,0,0]=4 12265 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,1,0,1,0,0|1,0,0]=3 12266 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,1,0,1,0,0|1,0,0]=3 12267 B14R1.108 CCC1CCCN1CCCOC(=S)C 2230a_100000754278_200135323944 [0,1,0,1,0,0|1,1,0]=4 12268 B14R1.108 CCC1CCCN1CCCOC(=S)C 269982a_100000754278_200135323944 [0,1,0,1,0,0|1,1,0]=4 12269 B14R1.108 CCC1CCCN1CCCOC(=S)C 34a_100000754278_200135323944 [0,1,0,1,0,0|1,1,0]=4 12270 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,1,0,1,0,0|1,1,0]=4 12271 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,1,0,1,0,0|1,1,0]=4 12272 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,1,0,1,0,0|1,1,0]=4 12273 B14R1.108 CCN1CCC[C@@H]1COCOC(=O)C 34a_100011739246_100009813279 [0,1,0,1,0,0|2,0,0]=4 12274 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,1,0,1,0,0|2,0,0]=4 12275 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,1,0,1,0,0|2,0,0]=4 12276 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,1,0,1,0,0|2,0,0]=4 12277 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,1,0,1,0,0|2,0,0]=4 12278 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,1,0,0|1,0,0]=3 12279 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,1,0,0|1,0,0]=3 12280 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 12281 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 12282 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,1,0,0|2,0,0]=4 12283 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,1,0,1,0,0|2,0,0]=4 12284 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,1,0,1,0,0|2,0,0]=4 12285 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,1,0,1,0,0|2,0,0]=4 12286 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,1,0,1,0,0|1,0,0]=3 12287 B14R1.122 CCCCCCOCC1=CC(=O)OC1 34a_100000210259_100000716558 [0,1,0,1,0,0|1,0,1]=4 12288 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,1,0,1,0,0|2,0,0]=4 12289 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,1,0,1,0,0|2,0,0]=4 12290 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,1,0,0|2,0,0]=4 12291 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,1,0,0|2,0,0]=4 12292 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,1,0,0|2,0,0]=4 12293 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,1,0,0|1,0,0]=3 12294 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,1,0,1,0,0|2,0,0]=4 12295 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,1,0,1,0,0|1,0,0]=3 12296 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,1,0,1,0,0|1,0,0]=3 12297 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000210314_100000716558 [0,1,0,1,0,0|1,0,1]=4 12298 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210757 [0,1,0,1,0,0|1,0,1]=4 12299 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,1,0,0|2,0,0]=4 12300 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,1,0,0|2,0,0]=4 12301 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,1,0,0|1,0,0]=3 12302 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,1,0,0|1,0,0]=3 12303 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,1,0,1,0,0|2,0,0]=4 12304 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,1,0,1,0,0|2,0,0]=4 12305 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,1,0,1,0,0|1,0,0]=3 12306 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,1,0,1,0,0|1,0,0]=3 12307 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,1,0,1,0,0|2,0,0]=4 12308 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,1,0,1,0,0|2,0,0]=4 12309 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,1,0,1,0,0|2,0,0]=4 12310 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,1,0,1,0,0|2,0,0]=4 12311 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,1,0,1,0,0|2,0,0]=4 12312 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,1,0,1,0,0|2,0,0]=4 12313 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100011995733_100015307671 [0,1,0,1,0,0|2,0,0]=4 12314 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100015307671_100011995733 [0,1,0,1,0,0|2,0,0]=4 12315 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,1,0,1,0,0|2,0,0]=4 12316 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,1,0,1,0,0|2,0,0]=4 12317 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,1,0,1,0,0|2,0,0]=4 12318 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 2230a_100161115042_100015307671 [0,1,0,1,0,0|2,0,0]=4 12319 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 34a_100161115042_100015307671 [0,1,0,1,0,0|2,0,0]=4 12320 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,1,0,1,0,0|2,0,0]=4 12321 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 34a_100000752267_100015307671 [0,1,0,1,0,0|2,0,0]=4 12322 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 7a_100000752267_100015307671 [0,1,0,1,0,0|2,0,0]=4 12323 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,1,0,1,0,0|2,0,0]=4 12324 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,1,0,1,0,0|2,0,0]=4 12325 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100011215938_100015307671 [0,1,0,1,0,0|2,0,0]=4 12326 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215938 [0,1,0,1,0,0|2,0,0]=4 12327 B14R1.122 CCCSCCNC[C@H]1COC(=O)N1 2230a_100020603323_100015307671 [0,1,0,1,0,0|2,0,0]=4 12328 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,1,0,1,0,0|2,0,0]=4 12329 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 34a_200000230433_100015307671 [0,1,0,1,0,0|2,0,0]=4 12330 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 7a_200000230433_100015307671 [0,1,0,1,0,0|2,0,0]=4 12331 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,1,0,1,0,0|2,0,0]=4 12332 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 2230a_100000210961_100015307671 [0,1,0,1,0,0|2,0,0]=4 12333 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 34a_100000210961_100015307671 [0,1,0,1,0,0|2,0,0]=4 12334 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,1,0,1,0,0|2,0,0]=4 12335 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 34a_100000757476_100015307671 [0,1,0,1,0,0|2,0,0]=4 12336 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 7a_100000757476_100015307671 [0,1,0,1,0,0|2,0,0]=4 12337 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,1,0,1,0,0|2,0,0]=4 12338 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,1,0,1,0,0|2,0,0]=4 12339 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100012232248_100015307671 [0,1,0,1,0,0|2,0,0]=4 12340 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100015307671_100012232248 [0,1,0,1,0,0|2,0,0]=4 12341 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,1,0,1,0,0|2,0,0]=4 12342 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 34a_100011216438_100015307671 [0,1,0,1,0,0|2,0,0]=4 12343 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 7a_100011216438_100015307671 [0,1,0,1,0,0|2,0,0]=4 12344 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,1,0,1,0,0|2,0,0]=4 12345 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,1,0,1,0,0|2,0,0]=4 12346 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,1,0,1,0,0|2,0,0]=4 12347 B14R1.122 COCCCCOC[C@H]1COC(=O)N1 34a_100000740925_100015307671 [0,1,0,1,0,0|2,0,0]=4 12348 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,1,0,1,0,0|2,0,0]=4 12349 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,1,0,1,0,0|2,0,0]=4 12350 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100000730899_100015307671 [0,1,0,1,0,0|2,0,0]=4 12351 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000730899 [0,1,0,1,0,0|2,0,0]=4 12352 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,1,0,1,0,0|2,0,0]=4 12353 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 34a_100011217163_100015307671 [0,1,0,1,0,0|2,0,0]=4 12354 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 7a_100011217163_100015307671 [0,1,0,1,0,0|2,0,0]=4 12355 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,1,0,1,0,0|2,0,0]=4 12356 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,1,0,1,0,0|2,0,0]=4 12357 B14R1.122 NCCCCCOC[C@H]1COC(=O)N1 34a_100000762737_100015307671 [0,1,0,1,0,0|2,0,0]=4 12358 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 2230a_100000762737_100015307671 [0,1,0,1,0,0|2,0,0]=4 12359 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 34a_100000762737_100015307671 [0,1,0,1,0,0|2,0,0]=4 12360 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 34a_100000746331_100015307671 [0,1,0,1,0,0|2,0,0]=4 12361 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 7a_100000746331_100015307671 [0,1,0,1,0,0|2,0,0]=4 12362 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 34a_100000746330_100015307671 [0,1,0,1,0,0|2,0,0]=4 12363 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 7a_100000746330_100015307671 [0,1,0,1,0,0|2,0,0]=4 12364 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 34a_200012148887_100015307671 [0,1,0,1,0,0|2,0,0]=4 12365 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 7a_200012148887_100015307671 [0,1,0,1,0,0|2,0,0]=4 12366 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100000729378_100015307671 [0,1,0,1,0,0|2,0,0]=4 12367 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100015307671_100000729378 [0,1,0,1,0,0|2,0,0]=4 12368 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100000746330_100015307671 [0,1,0,1,0,0|2,0,0]=4 12369 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100015307671_100000746330 [0,1,0,1,0,0|2,0,0]=4 12370 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,1,0,1,0,0|2,0,0]=4 12371 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,1,0,1,0,0|2,0,0]=4 12372 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,1,0,1,0,0|2,0,0]=4 12373 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,1,0,1,0,0|2,0,0]=4 12374 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,1,0,1,0,0|2,0,0]=4 12375 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,1,0,1,0,0|2,0,0]=4 12376 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,1,0,1,0,0|2,0,0]=4 12377 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,1,0,1,0,0|2,0,0]=4 12378 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,1,0,1,0,0|2,0,0]=4 12379 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,1,0,1,0,0|2,0,0]=4 12380 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,1,0,1,0,0|2,0,0]=4 12381 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,1,0,1,0,0|2,0,0]=4 12382 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,1,0,1,0,0|2,0,0]=4 12383 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,1,0,1,0,0|2,0,0]=4 12384 B14R1.122 O=CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000139337 [0,1,0,1,0,0|2,0,0]=4 12385 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,1,0,1,0,0|2,0,0]=4 12386 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,1,0,1,0,0|2,0,0]=4 12387 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,1,0,1,0,0|2,0,0]=4 12388 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,1,0,1,0,0|2,0,0]=4 12389 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,1,0,1,0,0|2,0,0]=4 12390 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,1,0,1,0,0|2,0,0]=4 12391 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,1,0,1,0,0|2,0,0]=4 12392 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,1,0,1,0,0|2,0,0]=4 12393 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,1,0,1,0,0|2,0,0]=4 12394 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,1,0,1,0,0|2,0,0]=4 12395 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,1,0,1,0,0|1,0,0]=3 12396 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,1,0,1,0,0|1,0,0]=3 12397 B14R1.159 CC(=O)OCCCN1CCOC[C@@H]1C 269982a_100009815349_100000042594 [0,1,0,1,0,0|2,0,0]=4 12398 B14R1.159 CC(=O)OCCCN1CCOC[C@@H]1C 34a_100009815349_100000042594 [0,1,0,1,0,0|2,0,0]=4 12399 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,1,0,1,0,0|1,0,0]=3 12400 B14R1.159 CC(=O)OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009814007 [0,1,0,1,0,0|2,0,0]=4 12401 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,1,0,1,0,0|1,0,0]=3 12402 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,1,0,1,0,0|1,0,0]=3 12403 B14R1.159 CC(=O)OCCOC1CCCCC1Cl 34a_100000038908_100009814007 [0,1,0,1,0,0|2,0,0]=4 12404 B14R1.159 CC(=O)OCCOC1CCCCC1Cl 7a_100000038908_100009814007 [0,1,0,1,0,0|2,0,0]=4 12405 B14R1.159 CC(=O)OCCOC1CCNCC1C 34a_100011998114_100009814007 [0,1,0,1,0,0|2,0,0]=4 12406 B14R1.159 CC(=O)OCCOC1CNCCC1C 34a_100000696640_100009814007 [0,1,0,1,0,0|2,0,0]=4 12407 B14R1.159 CC(=O)OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009814007 [0,1,0,1,0,0|2,0,0]=4 12408 B14R1.159 CC(=O)OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009814007 [0,1,0,1,0,0|2,0,0]=4 12409 B14R1.159 CC(=O)OCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009814007 [0,1,0,1,0,0|2,0,0]=4 12410 B14R1.159 CC(=O)OCCSC1CCCCC1F 62a_100009814007_100015423560 [0,1,0,1,0,0|2,0,0]=4 12411 B14R1.159 CC(=O)OCCSC1CCCCC1F 62a_100015423560_100009814007 [0,1,0,1,0,0|2,0,0]=4 12412 B14R1.159 CC(=O)OCCSC1CCCCC1O 62a_100000038908_100009814007 [0,1,0,1,0,0|2,0,0]=4 12413 B14R1.159 CC(=O)OCCSC1CCCCC1O 62a_100009814007_100000038908 [0,1,0,1,0,0|2,0,0]=4 12414 B14R1.159 CC(=O)OCNCC1CCCCC1O 34a_100011216029_100009813279 [0,1,0,1,0,0|2,0,0]=4 12415 B14R1.159 CC(=O)OCNCC1CCCCN1C 34a_100011228421_100009813279 [0,1,0,1,0,0|2,0,0]=4 12416 B14R1.159 CC(=O)OCOCC1CCCCN1C 34a_100000225079_100009813279 [0,1,0,1,0,0|2,0,0]=4 12417 B14R1.159 CC(=O)OCSCC1CCCCN1C 62a_100000076356_100015185383 [0,1,0,1,0,0|2,0,0]=4 12418 B14R1.159 CC(=O)OCSCC1CCCCN1C 62a_100015185383_100000076356 [0,1,0,1,0,0|2,0,0]=4 12419 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,1,0,1,0,0|1,1,0]=4 12420 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,1,0,1,0,0|1,1,0]=4 12421 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,1,0,1,0,0|1,1,0]=4 12422 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,1,0,1,0,0|1,1,0]=4 12423 B14R1.159 CC(=S)OCCCN1CCCCC1C 2230a_100000211376_200135323944 [0,1,0,1,0,0|1,1,0]=4 12424 B14R1.159 CC(=S)OCCCN1CCCCC1C 269982a_100000211376_200135323944 [0,1,0,1,0,0|1,1,0]=4 12425 B14R1.159 CC(=S)OCCCN1CCCCC1C 34a_100000211376_200135323944 [0,1,0,1,0,0|1,1,0]=4 12426 B14R1.159 CC(C)CCCNC1CCCCC1=O 34a_200000737386_100000754470 [0,1,0,1,0,0|2,0,0]=4 12427 B14R1.159 CC(C)CCCNC1CCCNC1=O 2230a_100000747585_100011214892 [0,1,0,1,0,0|2,0,0]=4 12428 B14R1.159 CC(C)CCCNC1CCCNC1=O 2230a_200000737386_100000687798 [0,1,0,1,0,0|2,0,0]=4 12429 B14R1.159 CC(C)CCCNC1CCCNC1=O 34a_100000747585_100011214892 [0,1,0,1,0,0|2,0,0]=4 12430 B14R1.159 CC(C)CCCNC1CCCNC1=O 34a_200000737386_100000687798 [0,1,0,1,0,0|2,0,0]=4 12431 B14R1.159 CC(C)CCCOC1CCCCC1=O 34a_100000210774_100000754470 [0,1,0,1,0,0|2,0,0]=4 12432 B14R1.159 CC(C)CCCOC1CCCCC1=O 34a_100011214950_100011214892 [0,1,0,1,0,0|2,0,0]=4 12433 B14R1.159 CC(C)CCCOC1CCCCC1=O 7a_100000210774_100000204591 [0,1,0,1,0,0|2,0,0]=4 12434 B14R1.159 CC(C)CCCOC1CCCNC1=O 34a_100000073722_100011214892 [0,1,0,1,0,0|2,0,0]=4 12435 B14R1.159 CC(C)CCCOC1CCCNC1=O 34a_100000210774_100000687798 [0,1,0,1,0,0|2,0,0]=4 12436 B14R1.159 CC(C)CCCOC1CCCNC1=O 7a_100000210774_100000687798 [0,1,0,1,0,0|2,0,0]=4 12437 B14R1.159 CC(C)CCCSC1CCCCC1=O 62a_100000204591_100011214892 [0,1,0,1,0,0|2,0,0]=4 12438 B14R1.159 CC(C)CCCSC1CCCCC1=O 62a_100011214892_100000204591 [0,1,0,1,0,0|2,0,0]=4 12439 B14R1.159 CC(C)CCCSC1CCCNC1=O 62a_100000687798_100011214892 [0,1,0,1,0,0|2,0,0]=4 12440 B14R1.159 CC(C)CCCSC1CCCNC1=O 62a_100011214892_100000687798 [0,1,0,1,0,0|2,0,0]=4 12441 B14R1.159 CC(C)CCOCC1CCCCC1=O 34a_100009861125_100000210312 [0,1,0,1,0,0|2,0,0]=4 12442 B14R1.159 CC(C)CCOCC1CCCCC1=O 7a_100009861125_100000210626 [0,1,0,1,0,0|2,0,0]=4 12443 B14R1.159 CC(O)CCCNC1CCCNC1=O 2230a_100000747585_200000718107 [0,1,0,1,0,0|2,0,0]=4 12444 B14R1.159 CC(O)CCCNC1CCCNC1=O 34a_100000747585_200000718107 [0,1,0,1,0,0|2,0,0]=4 12445 B14R1.159 CC(O)CCCOC1CCCCC1=O 34a_100011214950_200000718107 [0,1,0,1,0,0|2,0,0]=4 12446 B14R1.159 CC(O)CCCOC1CCCNC1=O 34a_100000073722_200000718107 [0,1,0,1,0,0|2,0,0]=4 12447 B14R1.159 CC(O)CCCSC1CCCCC1=O 62a_100000204591_200000718107 [0,1,0,1,0,0|2,0,0]=4 12448 B14R1.159 CC(O)CCCSC1CCCCC1=O 62a_200000718107_100000204591 [0,1,0,1,0,0|2,0,0]=4 12449 B14R1.159 CC(O)CCCSC1CCCNC1=O 62a_100000687798_200000718107 [0,1,0,1,0,0|2,0,0]=4 12450 B14R1.159 CC(O)CCCSC1CCCNC1=O 62a_200000718107_100000687798 [0,1,0,1,0,0|2,0,0]=4 12451 B14R1.159 CC(O)CCOCC1CCCCC1=O 34a_100009861125_100012276601 [0,1,0,1,0,0|2,0,0]=4 12452 B14R1.159 CC(O)CCOCC1CCCCC1=O 7a_100009861125_100012276601 [0,1,0,1,0,0|2,0,0]=4 12453 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,1,0,1,0,0|2,0,0]=4 12454 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,1,0,1,0,0|2,0,0]=4 12455 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,1,0,1,0,0|2,0,0]=4 12456 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,1,0,1,0,0|2,0,0]=4 12457 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,1,0,1,0,0|1,0,0]=3 12458 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,1,0,1,0,0|2,0,0]=4 12459 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,1,0,1,0,0|2,0,0]=4 12460 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,1,0,1,0,0|2,0,0]=4 12461 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,1,0,1,0,0|1,0,0]=3 12462 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,1,0,1,0,0|1,0,0]=3 12463 B14R1.159 CC1CCNCC1OCCOC(=O)N 34a_100000696640_200011214921 [0,1,0,1,0,0|2,0,0]=4 12464 B14R1.159 CC1CNCCC1OCCOC(=O)N 34a_100011998114_200011214921 [0,1,0,1,0,0|2,0,0]=4 12465 B14R1.159 NC(=O)OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200011214921 [0,1,0,1,0,0|2,0,0]=4 12466 B14R1.159 NC(=O)OCCOC1CCCCC1Cl 34a_100000038908_200011214921 [0,1,0,1,0,0|2,0,0]=4 12467 B14R1.159 NC(=O)OCCOC1CCCCC1Cl 7a_100000038908_200011214921 [0,1,0,1,0,0|2,0,0]=4 12468 B14R1.159 NC(=O)OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200011214921 [0,1,0,1,0,0|2,0,0]=4 12469 B14R1.159 NC(=O)OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011214921 [0,1,0,1,0,0|2,0,0]=4 12470 B14R1.159 NC(=O)OCCO[C@H]1CCCC[C@H]1N 34a_100015191688_200011214921 [0,1,0,1,0,0|2,0,0]=4 12471 B14R1.159 NC(=O)OCCSC1CCCCC1F 62a_100015423560_200011214921 [0,1,0,1,0,0|2,0,0]=4 12472 B14R1.159 NC(=O)OCCSC1CCCCC1F 62a_200011214921_100015423560 [0,1,0,1,0,0|2,0,0]=4 12473 B14R1.159 NC(=O)OCCSC1CCCCC1O 62a_100000038908_200011214921 [0,1,0,1,0,0|2,0,0]=4 12474 B14R1.159 NC(=O)OCCSC1CCCCC1O 62a_200011214921_100000038908 [0,1,0,1,0,0|2,0,0]=4 12475 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,1,0,1,0,0|2,0,0]=4 12476 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,1,0,1,0,0|2,0,0]=4 12477 B14R1.168 CC(=O)CCCCSC1CCOC1=O 62a_100000211211_100000735457 [0,1,0,1,0,0|1,0,1]=4 12478 B14R1.168 CC(=O)CCCCSC1CCOC1=O 62a_100000735457_100000211211 [0,1,0,1,0,0|1,0,1]=4 12479 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,1,0,1,0,0|2,0,0]=4 12480 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,1,0,1,0,0|1,0,0]=3 12481 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,1,0,1,0,0|1,0,0]=3 12482 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,1,0,1,0,0|1,0,0]=3 12483 B14R1.168 CC(=O)OCCCCN1CCSC1C 269982a_200011216479_100000033659 [0,1,0,1,0,0|2,0,0]=4 12484 B14R1.168 CC(=O)OCCCCN1CCSC1C 34a_200011216479_100000033659 [0,1,0,1,0,0|2,0,0]=4 12485 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,1,0,1,0,0|1,0,0]=3 12486 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,1,0,1,0,0|1,0,0]=3 12487 B14R1.168 CC(=O)OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000042594 [0,1,0,1,0,0|2,0,0]=4 12488 B14R1.168 CC(=O)OCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000042594 [0,1,0,1,0,0|2,0,0]=4 12489 B14R1.168 CC(=O)OCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000042594 [0,1,0,1,0,0|2,0,0]=4 12490 B14R1.168 CC(=O)OCCCS[C@@H]1CCC[C@H]1O 62a_100000042594_200016002552 [0,1,0,1,0,0|2,0,0]=4 12491 B14R1.168 CC(=O)OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000042594 [0,1,0,1,0,0|2,0,0]=4 12492 B14R1.168 CC(=O)OCCOCC1CCCN1C 34a_100000743107_100009814007 [0,1,0,1,0,0|2,0,0]=4 12493 B14R1.168 CC(=O)OCCOCN1CCC[C@@H]1C 269982a_100020605311_100000076355 [0,1,0,1,0,0|2,0,0]=4 12494 B14R1.168 CC(=O)OCCOCN1CCC[C@H]1C 269982a_100015189458_100000076355 [0,1,0,1,0,0|2,0,0]=4 12495 B14R1.168 CC(=O)OCCOCN1CCC[C@H]1C 34a_100015189458_100000076355 [0,1,0,1,0,0|2,0,0]=4 12496 B14R1.168 CC(=O)OCOCCC1CCCN1C 34a_100011215177_100009813279 [0,1,0,1,0,0|2,0,0]=4 12497 B14R1.168 CC(=O)OCSCCC1CCCN1C 62a_100000005710_100000076356 [0,1,0,1,0,0|2,0,0]=4 12498 B14R1.168 CC(=O)OCSCCC1CCCN1C 62a_100000076356_100000005710 [0,1,0,1,0,0|2,0,0]=4 12499 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,1,0,1,0,0|1,1,0]=4 12500 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,1,0,1,0,0|1,1,0]=4 12501 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,1,0,1,0,0|1,1,0]=4 12502 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,1,0,1,0,0|1,1,0]=4 12503 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,1,0,1,0,0|1,1,0]=4 12504 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,1,0,1,0,0|1,1,0]=4 12505 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,1,0,1,0,0|1,1,0]=4 12506 B14R1.168 CC(=S)OCCCOC1CCCC1C 34a_100011216460_200135323944 [0,1,0,1,0,0|1,1,0]=4 12507 B14R1.168 CC(=S)OCCCOC1CCCC1C 7a_100011216460_200135323944 [0,1,0,1,0,0|1,1,0]=4 12508 B14R1.168 CC(C)CCCCNC1CCNC1=O 2230a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 12509 B14R1.168 CC(C)CCCCNC1CCNC1=O 34a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 12510 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_100011214890_100000709159 [0,1,0,1,0,0|2,0,0]=4 12511 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_200000719330_100011216152 [0,1,0,1,0,0|2,0,0]=4 12512 B14R1.168 CC(C)CCCCOC1CCCC1=O 7a_100011214890_100000211823 [0,1,0,1,0,0|2,0,0]=4 12513 B14R1.168 CC(C)CCCCOC1CCOC1=O 34a_100011214890_100000211211 [0,1,0,1,0,0|1,0,0]=3 12514 B14R1.168 CC(C)CCCCOC1CCOC1=O 7a_100011214890_100000211211 [0,1,0,1,0,0|1,0,0]=3 12515 B14R1.168 CC(C)CCCCO[C@H]1CCNC1=O 34a_100000688343_100011216152 [0,1,0,1,0,0|2,0,0]=4 12516 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100000211823_100011216152 [0,1,0,1,0,0|2,0,0]=4 12517 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100011216152_100000211823 [0,1,0,1,0,0|2,0,0]=4 12518 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100000211211_100011216152 [0,1,0,1,0,0|1,0,0]=3 12519 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100011216152_100000211211 [0,1,0,1,0,0|1,0,0]=3 12520 B14R1.168 CC(C)CCCOCC1CCNC1=O 34a_100000133458_100011214892 [0,1,0,1,0,0|2,0,0]=4 12521 B14R1.168 CC(C)CNCCOC1CCOC1=O 34a_100015185251_100000211211 [0,1,0,1,0,0|2,0,0]=4 12522 B14R1.168 CC(C)COCCOC1CCOC1=O 34a_100000703358_100000211211 [0,1,0,1,0,0|2,0,0]=4 12523 B14R1.168 CC(C)COCCOC1CCOC1=O 7a_100000703358_100000211211 [0,1,0,1,0,0|2,0,0]=4 12524 B14R1.168 CC(C)CSCCOC1CCOC1=O 34a_200000230437_100000211211 [0,1,0,1,0,0|2,0,0]=4 12525 B14R1.168 CC(C)CSCCOC1CCOC1=O 7a_200000230437_100000211211 [0,1,0,1,0,0|2,0,0]=4 12526 B14R1.168 CC(C)NCCCOC1CCOC1=O 34a_100000182298_100000211211 [0,1,0,1,0,0|2,0,0]=4 12527 B14R1.168 CC(C)OCCCNC1CCOC1=O 2230a_100000737246_100000211211 [0,1,0,1,0,0|2,0,0]=4 12528 B14R1.168 CC(C)OCCCNC1CCOC1=O 34a_100000737246_100000211211 [0,1,0,1,0,0|2,0,0]=4 12529 B14R1.168 CC(O)CCCOCC1CCNC1=O 34a_100000133458_200000718107 [0,1,0,1,0,0|2,0,0]=4 12530 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,1,0,1,0,0|2,0,0]=4 12531 B14R1.168 CN(C)CCCCSC1CCOC1=O 62a_100000211211_100000690147 [0,1,0,1,0,0|2,0,0]=4 12532 B14R1.168 CN1CCCC1COCCOC(=O)N 34a_100000743107_200011214921 [0,1,0,1,0,0|2,0,0]=4 12533 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,1,0,1,0,0|2,0,0]=4 12534 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,1,0,1,0,0|2,0,0]=4 12535 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,1,0,1,0,0|2,0,0]=4 12536 B14R1.168 C[C@@H]1CCCN1CCCCO[N+](=O)[O-] 269982a_100015189458_100015694321 [0,1,0,1,0,0|2,0,0]=4 12537 B14R1.168 C[C@@H]1CCCN1CCCCO[N+](=O)[O-] 34a_100015189458_100015694321 [0,1,0,1,0,0|2,0,0]=4 12538 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,1,0,1,0,0|2,0,0]=4 12539 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,1,0,1,0,0|2,0,0]=4 12540 B14R1.168 C[C@H]1CCCN1CCCCO[N+](=O)[O-] 269982a_100020605311_100015694321 [0,1,0,1,0,0|2,0,0]=4 12541 B14R1.221 C=CCCCCCCCCNC1CC1 34a_100000212008_100011933949 [0,1,0,1,0,0|2,0,0]=4 12542 B14R1.221 C=CCCCCCCCCOC1CC1 34a_100011215194_100000211595 [0,1,0,1,0,0|2,0,0]=4 12543 B14R1.221 C=CCCCCCCCCSC1CC1 62a_100011933949_100000211595 [0,1,0,1,0,0|2,0,0]=4 12544 B14R1.221 C=CCCCCCCCNCC1CC1 2230a_100000735609_100012355270 [0,1,0,1,0,0|2,0,0]=4 12545 B14R1.221 C=CCCCCCCCNCC1CC1 34a_100000735609_100012355270 [0,1,0,1,0,0|2,0,0]=4 12546 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000211283_100012355270 [0,1,0,1,0,0|2,0,0]=4 12547 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000730831_100000742324 [0,1,0,1,0,0|2,0,0]=4 12548 B14R1.221 C=CCCCCCCCOCC1CC1 7a_100000730831_100000742324 [0,1,0,1,0,0|2,0,0]=4 12549 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100000756562_100012355270 [0,1,0,1,0,0|2,0,0]=4 12550 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100012355270_100000742324 [0,1,0,1,0,0|2,0,0]=4 12551 B14R1.221 C=CCCCCCCNCCC1CC1 34a_100000764129_100011215473 [0,1,0,1,0,0|2,0,0]=4 12552 B14R1.221 C=CCCCCCCOCCC1CC1 34a_100000754188_100011215473 [0,1,0,1,0,0|2,0,0]=4 12553 B14R1.221 C=CCCCCCCOCCC1CC1 34a_200011216477_100000694398 [0,1,0,1,0,0|2,0,0]=4 12554 B14R1.221 C=CCCCCCCOCCC1CC1 7a_100000754188_100011215473 [0,1,0,1,0,0|2,0,0]=4 12555 B14R1.221 C=CCCCCCCOCCC1CC1 7a_200011216477_100000764125 [0,1,0,1,0,0|2,0,0]=4 12556 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100000764125_100011215473 [0,1,0,1,0,0|2,0,0]=4 12557 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100011215473_100000764125 [0,1,0,1,0,0|2,0,0]=4 12558 B14R1.221 C=COCCCCOCCCC1CO1 34a_100000031558_100000733510 [0,1,0,1,0,0|2,0,0]=4 12559 B14R1.221 C=COCCCCOCCCC1CO1 7a_100000031558_100000733510 [0,1,0,1,0,0|2,0,0]=4 12560 B14R1.221 C=COCCOCCOCCC1CC1 34a_100000039918_100000694398 [0,1,0,1,0,0|2,0,0]=4 12561 B14R1.221 C=COCCOCCOCCC1CC1 7a_100000039918_100000764125 [0,1,0,1,0,0|2,0,0]=4 12562 B14R1.221 CCCCCCCCCCOC1CC1 34a_100000210711_100000211595 [0,1,0,1,0,0|1,0,1]=4 12563 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000139337_100000733510 [0,1,0,1,0,0|2,0,0]=4 12564 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000733510_100000139337 [0,1,0,1,0,0|2,0,0]=4 12565 B14R1.233 CC(C)C1CCCN1CCCCC=O 2230a_100000762757_100000139335 [0,1,0,1,0,0|2,0,0]=4 12566 B14R1.233 CC(C)C1CCCN1CCCCC=O 269982a_100000762757_100000139335 [0,1,0,1,0,0|2,0,0]=4 12567 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,1,0,1,0,0|2,0,0]=4 12568 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,1,0,1,0,0|2,0,0]=4 12569 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,1,0,1,0,0|2,0,0]=4 12570 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,1,0,1,0,0|2,0,0]=4 12571 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,1,0,1,0,0|2,0,0]=4 12572 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,1,0,1,0,0|2,0,0]=4 12573 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009813381 [0,1,0,1,0,0|2,0,0]=4 12574 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009813381 [0,1,0,1,0,0|2,0,0]=4 12575 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000033007 [0,1,0,1,0,0|2,0,0]=4 12576 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,1,0,1,0,0|1,0,0]=3 12577 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,1,0,1,0,0|1,0,0]=3 12578 B14R1.241 CC(=O)OCCOCOCC1CC1C 34a_100000744939_100000076355 [0,1,0,1,0,0|2,0,0]=4 12579 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,1,0,1,0,0|1,1,0]=4 12580 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,1,0,1,0,0|1,1,0]=4 12581 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,1,0,1,0,0|2,0,0]=4 12582 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,1,0,1,0,0|2,0,0]=4 12583 B14R1.241 CC1CC1COCCCCO[N+](=O)[O-] 34a_100000744939_100015694321 [0,1,0,1,0,0|2,0,0]=4 12584 B14R1.241 CC1CC1COCCCCO[N+](=O)[O-] 7a_100000744939_100015694321 [0,1,0,1,0,0|2,0,0]=4 12585 B14R1.258 COCC1CCN1CCCOC(=O)C 269982a_100015195929_100000042594 [0,1,0,1,0,0|2,0,0]=4 12586 B14R1.258 COCC1CCN1CCCOC(=O)C 34a_100015195929_100000042594 [0,1,0,1,0,0|2,0,0]=4 12587 B14R1.269 CC(C)CC1CCCCCN1CC=O 2230a_100000759364_200015260668 [0,1,0,1,0,0|2,0,0]=4 12588 B14R1.269 CC(C)CC1CCCCCN1CC=O 269982a_100000759364_200015260668 [0,1,0,1,0,0|2,0,0]=4 12589 B14R1.269 CC(C)CC1CCCCCN1CC=O 34a_100000759364_200009817547 [0,1,0,1,0,0|2,0,0]=4 12590 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,1,0,1,0,0|1,0,0]=3 12591 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,1,0,1,0,0|1,0,0]=3 12592 B14R1.325 CC(=O)OCCOCCN1CCC1C 269982a_100000755817_200000083610 [0,1,0,1,0,0|2,0,0]=4 12593 B14R1.325 CC(=O)OCCOCCN1CCC1C 34a_100000755817_200000083610 [0,1,0,1,0,0|2,0,0]=4 12594 B14R1.325 CC(C)CCCCCNC1CCC1=O 34a_100011290863_100009892977 [0,1,0,1,0,0|2,0,0]=4 12595 B14R1.325 CC(C)CCCCCOC1CCC1=O 34a_100011995859_100009892977 [0,1,0,1,0,0|2,0,0]=4 12596 B14R1.325 CC(C)CCCCCOC1CCC1=O 7a_100011995859_100009892977 [0,1,0,1,0,0|2,0,0]=4 12597 B14R1.325 CC(C)CCCCCSC1CCC1=O 62a_100000210682_100009892977 [0,1,0,1,0,0|2,0,0]=4 12598 B14R1.325 CC(C)CCCCCSC1CCC1=O 62a_100009892977_100000210682 [0,1,0,1,0,0|2,0,0]=4 12599 B14R1.325 CC(C)CCCNCCC1CCC1=O 2230a_200000737386_200016118888 [0,1,0,1,0,0|2,0,0]=4 12600 B14R1.325 CC(C)CCCOCCC1CCC1=O 7a_100000210774_200016118888 [0,1,0,1,0,0|2,0,0]=4 12601 B14R1.325 CC(C)CCCSCCC1CCC1=O 62a_100011214892_200016118888 [0,1,0,1,0,0|2,0,0]=4 12602 B14R1.325 CC(C)CCCSCCC1CCC1=O 62a_200016118888_100011214892 [0,1,0,1,0,0|2,0,0]=4 12603 B14R1.325 CC(O)CCCSCCC1CCC1=O 62a_200000718107_200016118888 [0,1,0,1,0,0|2,0,0]=4 12604 B14R1.325 CC(O)CCCSCCC1CCC1=O 62a_200016118888_200000718107 [0,1,0,1,0,0|2,0,0]=4 12605 B14R1.329 CC(C)CCNC1CCCCNC1=O 2230a_100000698827_100000210312 [0,1,0,1,0,0|2,0,0]=4 12606 B14R1.329 CC(C)CCNC1CCCCNC1=O 269862a_100000698827_100000185833 [0,1,0,1,0,0|2,0,0]=4 12607 B14R1.329 CC(C)CCNC1CCCCNC1=O 34a_100000698827_100000210312 [0,1,0,1,0,0|2,0,0]=4 12608 B14R1.329 CC(C)CCOC1CCCCCC1=O 7a_100000210254_100000243696 [0,1,0,1,0,0|2,0,0]=4 12609 B14R1.329 CC(C)CCOC1CCCCNC1=O 7a_100000210254_100000735217 [0,1,0,1,0,0|2,0,0]=4 12610 B14R1.329 CC(C)CCSC1CCCCCC1=O 62a_100000210312_100000243696 [0,1,0,1,0,0|2,0,0]=4 12611 B14R1.329 CC(C)CCSC1CCCCCC1=O 62a_100000243696_100000210312 [0,1,0,1,0,0|2,0,0]=4 12612 B14R1.329 CC(C)CCSC1CCCCNC1=O 62a_100000210312_100000735217 [0,1,0,1,0,0|2,0,0]=4 12613 B14R1.329 CC(C)CCSC1CCCCNC1=O 62a_100000735217_100000210312 [0,1,0,1,0,0|2,0,0]=4 12614 B14R1.329 CC(O)CCNC1CCCCNC1=O 2230a_100000698827_100012276601 [0,1,0,1,0,0|2,0,0]=4 12615 B14R1.329 CC(O)CCNC1CCCCNC1=O 2230a_200000755665_100000735217 [0,1,0,1,0,0|2,0,0]=4 12616 B14R1.329 CC(O)CCNC1CCCCNC1=O 34a_100000698827_100012276601 [0,1,0,1,0,0|2,0,0]=4 12617 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100000243696_100012276601 [0,1,0,1,0,0|2,0,0]=4 12618 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100012276601_100000243696 [0,1,0,1,0,0|2,0,0]=4 12619 B14R1.329 CC(O)CCSC1CCCCNC1=O 62a_100000735217_100012276601 [0,1,0,1,0,0|2,0,0]=4 12620 B14R1.329 CC(O)CCSC1CCCCNC1=O 62a_100012276601_100000735217 [0,1,0,1,0,0|2,0,0]=4 12621 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,1,0,1,0,0|2,0,0]=4 12622 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,1,0,1,0,0|2,0,0]=4 12623 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,1,0,1,0,0|2,0,0]=4 12624 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,1,0,1,0,0|2,0,0]=4 12625 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,1,0,1,0,0|2,0,0]=4 12626 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,1,0,1,0,0|2,0,0]=4 12627 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,1,0,1,0,0|2,0,0]=4 12628 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,1,0,1,0,0|2,0,0]=4 12629 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,1,0,1,0,0|2,0,0]=4 12630 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,1,0,1,0,0|2,0,0]=4 12631 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,1,0,1,0,0|2,0,0]=4 12632 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,1,0,1,0,0|2,0,0]=4 12633 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,1,0,1,0,0|2,0,0]=4 12634 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,1,0,1,0,0|2,0,0]=4 12635 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,1,0,1,0,0|2,0,0]=4 12636 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,1,0,1,0,0|2,0,0]=4 12637 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,1,0,1,0,0|2,0,0]=4 12638 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,1,0,1,0,0|2,0,0]=4 12639 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,1,0,1,0,0|2,0,0]=4 12640 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,1,0,1,0,0|2,0,0]=4 12641 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,1,0,1,0,0|2,0,0]=4 12642 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,1,0,1,0,0|2,0,0]=4 12643 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 12644 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 12645 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 12646 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,1,0,1,0,0|2,0,0]=4 12647 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,1,0,1,0,0|2,0,0]=4 12648 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,1,0,1,0,0|2,0,0]=4 12649 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,1,0,1,0,0|2,0,0]=4 12650 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,1,0,1,0,0|2,0,0]=4 12651 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,1,0,1,0,0|2,0,0]=4 12652 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,1,0,1,0,0|2,0,0]=4 12653 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,1,0,1,0,0|2,0,0]=4 12654 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,1,0,1,0,0|2,0,0]=4 12655 B14R1.422 CC(=O)OCCCCN1CCCOC1 269982a_100000131196_100000033659 [0,1,0,1,0,0|2,0,0]=4 12656 B14R1.422 CC(=O)OCCCCN1CCCOC1 34a_100000131196_100000033659 [0,1,0,1,0,0|2,0,0]=4 12657 B14R1.422 CC(=O)OCCCCN1CCOCC1 269982a_100015191051_100000033659 [0,1,0,1,0,0|2,0,0]=4 12658 B14R1.422 CC(=O)OCCCCN1CCOCC1 34a_100015191051_100000033659 [0,1,0,1,0,0|2,0,0]=4 12659 B14R1.422 CC(=O)OCCCCN1CCSCC1 269982a_100000737611_100000033659 [0,1,0,1,0,0|2,0,0]=4 12660 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,1,0,1,0,0|1,0,0]=3 12661 B14R1.422 CC(=O)OCCCNC1CCCOC1 34a_100000719290_100000042594 [0,1,0,1,0,0|2,0,0]=4 12662 B14R1.422 CC(=O)OCCCNC1CCOCC1 34a_100000741149_100000042594 [0,1,0,1,0,0|2,0,0]=4 12663 B14R1.422 CC(=O)OCCCNC1CCSCC1 34a_100000748639_100000042594 [0,1,0,1,0,0|2,0,0]=4 12664 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,1,0,1,0,0|1,0,0]=3 12665 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,1,0,1,0,0|1,0,0]=3 12666 B14R1.422 CC(=O)OCCCOC1CCCCO1 34a_100000033831_100000042594 [0,1,0,1,0,0|2,0,0]=4 12667 B14R1.422 CC(=O)OCCCOC1CCCOC1 34a_100000754041_100000042594 [0,1,0,1,0,0|2,0,0]=4 12668 B14R1.422 CC(=O)OCCCOC1CCCSC1 7a_100015962668_100000042594 [0,1,0,1,0,0|2,0,0]=4 12669 B14R1.422 CC(=O)OCCCOC1CCOCC1 34a_100000744328_100000042594 [0,1,0,1,0,0|2,0,0]=4 12670 B14R1.422 CC(=O)OCCCOC1CCSCC1 34a_100000731022_100000042594 [0,1,0,1,0,0|2,0,0]=4 12671 B14R1.422 CC(=O)OCCCOC1CCSCC1 7a_100000731022_100000042594 [0,1,0,1,0,0|2,0,0]=4 12672 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,1,0,1,0,0|1,0,0]=3 12673 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,1,0,1,0,0|1,0,0]=3 12674 B14R1.422 CC(=O)OCCCSC1CCCOC1 62a_100000042594_100000693364 [0,1,0,1,0,0|2,0,0]=4 12675 B14R1.422 CC(=O)OCCCSC1CCOCC1 62a_100000042594_100011324220 [0,1,0,1,0,0|2,0,0]=4 12676 B14R1.422 CC(=O)OCCCSC1CCSCC1 62a_100000042594_100000069128 [0,1,0,1,0,0|2,0,0]=4 12677 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,1,0,1,0,0|1,0,0]=3 12678 B14R1.422 CC(=O)OCCNCC1CCCCO1 34a_100000174945_100009814007 [0,1,0,1,0,0|2,0,0]=4 12679 B14R1.422 CC(=O)OCCNCC1CCCOC1 34a_100000720124_100009814007 [0,1,0,1,0,0|2,0,0]=4 12680 B14R1.422 CC(=O)OCCNCC1CCOCC1 34a_100000746373_100009814007 [0,1,0,1,0,0|2,0,0]=4 12681 B14R1.422 CC(=O)OCCNCC1CCSCC1 34a_100015188806_100009814007 [0,1,0,1,0,0|2,0,0]=4 12682 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,1,0,1,0,0|1,0,0]=3 12683 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,1,0,1,0,0|1,0,0]=3 12684 B14R1.422 CC(=O)OCCOCC1CCCCN1 34a_100000210821_100009814007 [0,1,0,1,0,0|2,0,0]=4 12685 B14R1.422 CC(=O)OCCOCC1CCCCO1 34a_100000211370_100009814007 [0,1,0,1,0,0|2,0,0]=4 12686 B14R1.422 CC(=O)OCCOCC1CCCCO1 7a_100000211370_100009814007 [0,1,0,1,0,0|2,0,0]=4 12687 B14R1.422 CC(=O)OCCOCC1CCCNC1 34a_100000211344_100009814007 [0,1,0,1,0,0|2,0,0]=4 12688 B14R1.422 CC(=O)OCCOCC1CCCOC1 34a_100000741520_100009814007 [0,1,0,1,0,0|2,0,0]=4 12689 B14R1.422 CC(=O)OCCOCC1CCNCC1 34a_100000738675_100009814007 [0,1,0,1,0,0|2,0,0]=4 12690 B14R1.422 CC(=O)OCCOCC1CCOCC1 34a_100000749013_100009814007 [0,1,0,1,0,0|2,0,0]=4 12691 B14R1.422 CC(=O)OCCOCC1CCSCC1 34a_100000070558_100009814007 [0,1,0,1,0,0|2,0,0]=4 12692 B14R1.422 CC(=O)OCCOCC1CCSCC1 7a_100000070558_100009814007 [0,1,0,1,0,0|2,0,0]=4 12693 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,1,0,1,0,0|1,0,0]=3 12694 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,1,0,1,0,0|1,0,0]=3 12695 B14R1.422 CC(=O)OCCSCC1CCCCO1 62a_100000211543_100009814007 [0,1,0,1,0,0|2,0,0]=4 12696 B14R1.422 CC(=O)OCCSCC1CCCCO1 62a_100009814007_100000211543 [0,1,0,1,0,0|2,0,0]=4 12697 B14R1.422 CC(=O)OCCSCC1CCCOC1 62a_100000741521_100009814007 [0,1,0,1,0,0|2,0,0]=4 12698 B14R1.422 CC(=O)OCCSCC1CCCOC1 62a_100009814007_100000741521 [0,1,0,1,0,0|2,0,0]=4 12699 B14R1.422 CC(=O)OCCSCC1CCOCC1 62a_100000754603_100009814007 [0,1,0,1,0,0|2,0,0]=4 12700 B14R1.422 CC(=O)OCCSCC1CCOCC1 62a_100009814007_100000749018 [0,1,0,1,0,0|2,0,0]=4 12701 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,1,0,1,0,0|1,0,0]=3 12702 B14R1.422 CC(=O)OCNCCC1CCCCO1 34a_100015183643_100009813279 [0,1,0,1,0,0|2,0,0]=4 12703 B14R1.422 CC(=O)OCNCCC1CCOCC1 34a_100000755988_100009813279 [0,1,0,1,0,0|2,0,0]=4 12704 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,1,0,1,0,0|1,0,0]=3 12705 B14R1.422 CC(=O)OCOCCC1CCCCN1 34a_100000211664_100009813279 [0,1,0,1,0,0|2,0,0]=4 12706 B14R1.422 CC(=O)OCOCCC1CCCNC1 34a_100000752241_100009813279 [0,1,0,1,0,0|2,0,0]=4 12707 B14R1.422 CC(=O)OCOCCC1CCNCC1 34a_100015190746_100009813279 [0,1,0,1,0,0|2,0,0]=4 12708 B14R1.422 CC(=O)OCOCCC1CCOCC1 34a_100011933979_100009813279 [0,1,0,1,0,0|2,0,0]=4 12709 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,1,0,1,0,0|1,0,0]=3 12710 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,1,0,1,0,0|1,0,0]=3 12711 B14R1.422 CC(=O)OCSCCC1CCOCC1 62a_100000076356_100011934994 [0,1,0,1,0,0|2,0,0]=4 12712 B14R1.422 CC(=O)OCSCCC1CCOCC1 62a_100011934994_100000076356 [0,1,0,1,0,0|2,0,0]=4 12713 B14R1.422 CC(=O)OCSCCN1CCCCC1 62a_100000076356_100000739454 [0,1,0,1,0,0|2,0,0]=4 12714 B14R1.422 CC(=O)OCSCCN1CCCCC1 62a_100000739454_100000076356 [0,1,0,1,0,0|2,0,0]=4 12715 B14R1.422 CC(=O)OCSCOC1CCCCC1 62a_100000076356_100011935260 [0,1,0,1,0,0|2,0,0]=4 12716 B14R1.422 CC(=O)OCSCOC1CCCCC1 62a_100011935260_100000076356 [0,1,0,1,0,0|2,0,0]=4 12717 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,1,0,1,0,0|1,1,0]=4 12718 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,1,0,1,0,0|1,1,0]=4 12719 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,1,0,1,0,0|1,1,0]=4 12720 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,1,0,1,0,0|1,1,0]=4 12721 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,1,0,1,0,0|1,1,0]=4 12722 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,1,0,1,0,0|1,1,0]=4 12723 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,1,0,1,0,0|1,1,0]=4 12724 B14R1.422 CC(=S)OCCCNC1CCCCC1 2230a_100000182618_200135323944 [0,1,0,1,0,0|1,1,0]=4 12725 B14R1.422 CC(=S)OCCCNC1CCCCC1 34a_100000182618_200135323944 [0,1,0,1,0,0|1,1,0]=4 12726 B14R1.422 CC(=S)OCCCOC1CCCCC1 34a_100000210231_200135323944 [0,1,0,1,0,0|1,1,0]=4 12727 B14R1.422 CC(=S)OCCCOC1CCCCC1 7a_100000210231_200135323944 [0,1,0,1,0,0|1,1,0]=4 12728 B14R1.422 CC(=S)OCCCSC1CCCCC1 62a_100000210327_200135323944 [0,1,0,1,0,0|1,1,0]=4 12729 B14R1.422 CC(=S)OCCCSC1CCCCC1 62a_200135323944_100000210327 [0,1,0,1,0,0|1,1,0]=4 12730 B14R1.422 CC(C)OCCCCC1CCCCC1 34a_100011215267_100000210206 [0,1,0,1,0,0|1,0,1]=4 12731 B14R1.422 CC(C)OCCCCC1CCCCC1 7a_100011215267_100000210206 [0,1,0,1,0,0|1,0,1]=4 12732 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,1,0,1,0,0|2,0,0]=4 12733 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,1,0,1,0,0|2,0,0]=4 12734 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,1,0,1,0,0|2,0,0]=4 12735 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,1,0,1,0,0|2,0,0]=4 12736 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,1,0,1,0,0|2,0,0]=4 12737 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,1,0,1,0,0|2,0,0]=4 12738 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,1,0,1,0,0|2,0,0]=4 12739 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,1,0,1,0,0|2,0,0]=4 12740 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,1,0,1,0,0|2,0,0]=4 12741 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,1,0,1,0,0|2,0,0]=4 12742 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,1,0,1,0,0|2,0,0]=4 12743 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,1,0,1,0,0|2,0,0]=4 12744 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,1,0,1,0,0|2,0,0]=4 12745 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,1,0,1,0,0|2,0,0]=4 12746 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,1,0,1,0,0|2,0,0]=4 12747 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,1,0,1,0,0|2,0,0]=4 12748 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,1,0,1,0,0|2,0,0]=4 12749 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,1,0,1,0,0|2,0,0]=4 12750 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,1,0,1,0,0|2,0,0]=4 12751 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,1,0,1,0,0|2,0,0]=4 12752 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,1,0,1,0,0|2,0,0]=4 12753 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,1,0,1,0,0|2,0,0]=4 12754 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,1,0,1,0,0|2,0,0]=4 12755 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,1,0,1,0,0|2,0,0]=4 12756 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,1,0,1,0,0|2,0,0]=4 12757 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,1,0,1,0,0|2,0,0]=4 12758 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,1,0,1,0,0|2,0,0]=4 12759 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,1,0,1,0,0|2,0,0]=4 12760 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,1,0,1,0,0|2,0,0]=4 12761 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,1,0,1,0,0|2,0,0]=4 12762 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,1,0,1,0,0|2,0,0]=4 12763 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,1,0,1,0,0|2,0,0]=4 12764 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,1,0,1,0,0|2,0,0]=4 12765 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,1,0,1,0,0|1,0,0]=3 12766 B14R1.422 NC(=O)OCCNCC1CCCCO1 34a_100000174945_200011214921 [0,1,0,1,0,0|2,0,0]=4 12767 B14R1.422 NC(=O)OCCNCC1CCCOC1 34a_100000720124_200011214921 [0,1,0,1,0,0|2,0,0]=4 12768 B14R1.422 NC(=O)OCCNCC1CCOCC1 34a_100000746373_200011214921 [0,1,0,1,0,0|2,0,0]=4 12769 B14R1.422 NC(=O)OCCNCC1CCSCC1 34a_100015188806_200011214921 [0,1,0,1,0,0|2,0,0]=4 12770 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,1,0,1,0,0|1,0,0]=3 12771 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,1,0,1,0,0|1,0,0]=3 12772 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,1,0,1,0,0|1,0,0]=3 12773 B14R1.422 NC(=O)OCCOCC1CCCCN1 34a_100000210821_200011214921 [0,1,0,1,0,0|2,0,0]=4 12774 B14R1.422 NC(=O)OCCOCC1CCCCO1 34a_100000211370_200011214921 [0,1,0,1,0,0|2,0,0]=4 12775 B14R1.422 NC(=O)OCCOCC1CCCCO1 7a_100000211370_200011214921 [0,1,0,1,0,0|2,0,0]=4 12776 B14R1.422 NC(=O)OCCOCC1CCCCO1 7a_100000766696_100000211543 [0,1,0,1,0,0|2,0,0]=4 12777 B14R1.422 NC(=O)OCCOCC1CCCNC1 34a_100000211344_200011214921 [0,1,0,1,0,0|2,0,0]=4 12778 B14R1.422 NC(=O)OCCOCC1CCCOC1 34a_100000741520_200011214921 [0,1,0,1,0,0|2,0,0]=4 12779 B14R1.422 NC(=O)OCCOCC1CCCOC1 7a_100000766696_100000741521 [0,1,0,1,0,0|2,0,0]=4 12780 B14R1.422 NC(=O)OCCOCC1CCNCC1 34a_100000738675_200011214921 [0,1,0,1,0,0|2,0,0]=4 12781 B14R1.422 NC(=O)OCCOCC1CCOCC1 34a_100000749013_200011214921 [0,1,0,1,0,0|2,0,0]=4 12782 B14R1.422 NC(=O)OCCOCC1CCOCC1 7a_100000766696_100000754603 [0,1,0,1,0,0|2,0,0]=4 12783 B14R1.422 NC(=O)OCCOCC1CCSCC1 34a_100000070558_200011214921 [0,1,0,1,0,0|2,0,0]=4 12784 B14R1.422 NC(=O)OCCOCC1CCSCC1 7a_100000070558_200011214921 [0,1,0,1,0,0|2,0,0]=4 12785 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,1,0,1,0,0|1,0,0]=3 12786 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,1,0,1,0,0|1,0,0]=3 12787 B14R1.422 NC(=O)OCCSCC1CCCCO1 62a_100000211543_200011214921 [0,1,0,1,0,0|2,0,0]=4 12788 B14R1.422 NC(=O)OCCSCC1CCCCO1 62a_200011214921_100000211543 [0,1,0,1,0,0|2,0,0]=4 12789 B14R1.422 NC(=O)OCCSCC1CCCOC1 62a_100000741521_200011214921 [0,1,0,1,0,0|2,0,0]=4 12790 B14R1.422 NC(=O)OCCSCC1CCCOC1 62a_200011214921_100000741521 [0,1,0,1,0,0|2,0,0]=4 12791 B14R1.422 NC(=O)OCCSCC1CCOCC1 62a_100000754603_200011214921 [0,1,0,1,0,0|2,0,0]=4 12792 B14R1.422 NC(=O)OCCSCC1CCOCC1 62a_200011214921_100000749018 [0,1,0,1,0,0|2,0,0]=4 12793 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,1,0,1,0,0|2,0,0]=4 12794 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,1,0,1,0,0|2,0,0]=4 12795 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,1,0,1,0,0|2,0,0]=4 12796 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,1,0,1,0,0|2,0,0]=4 12797 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,1,0,1,0,0|2,0,0]=4 12798 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,1,0,1,0,0|2,0,0]=4 12799 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,1,0,1,0,0|2,0,0]=4 12800 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,1,0,1,0,0|2,0,0]=4 12801 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,1,0,1,0,0|2,0,0]=4 12802 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,1,0,1,0,0|2,0,0]=4 12803 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,1,0,1,0,0|2,0,0]=4 12804 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,1,0,1,0,0|2,0,0]=4 12805 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,1,0,1,0,0|2,0,0]=4 12806 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,1,0,1,0,0|2,0,0]=4 12807 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,1,0,1,0,0|2,0,0]=4 12808 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,1,0,1,0,0|2,0,0]=4 12809 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,1,0,1,0,0|2,0,0]=4 12810 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,1,0,1,0,0|2,0,0]=4 12811 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,1,0,1,0,0|2,0,0]=4 12812 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,1,0,1,0,0|2,0,0]=4 12813 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,1,0,1,0,0|2,0,0]=4 12814 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,1,0,1,0,0|2,0,0]=4 12815 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,1,0,1,0,0|2,0,0]=4 12816 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 12817 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 12818 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 12819 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,1,0,1,0,0|2,0,0]=4 12820 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 12821 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,1,0,1,0,0|2,0,0]=4 12822 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,1,0,1,0,0|2,0,0]=4 12823 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,1,0,1,0,0|2,0,0]=4 12824 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,1,0,1,0,0|2,0,0]=4 12825 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,1,0,1,0,0|2,0,0]=4 12826 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,1,0,1,0,0|2,0,0]=4 12827 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,1,0,1,0,0|2,0,0]=4 12828 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,1,0,1,0,0|2,0,0]=4 12829 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,1,0,1,0,0|2,0,0]=4 12830 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,1,0,1,0,0|1,0,0]=3 12831 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,1,0,1,0,0|1,0,0]=3 12832 B14R1.427 CC(=O)OCCCCCN1CCSC1 2230a_100011215254_100009813381 [0,1,0,1,0,0|2,0,0]=4 12833 B14R1.427 CC(=O)OCCCCCN1CCSC1 269982a_100011215254_100000033007 [0,1,0,1,0,0|2,0,0]=4 12834 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,1,0,1,0,0|1,0,0]=3 12835 B14R1.427 CC(=O)OCCCCN[C@H]1CCOC1 34a_100015188467_100000033659 [0,1,0,1,0,0|2,0,0]=4 12836 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,1,0,1,0,0|1,0,0]=3 12837 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,1,0,1,0,0|1,0,0]=3 12838 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,1,0,1,0,0|1,0,0]=3 12839 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,1,0,1,0,0|1,0,0]=3 12840 B14R1.427 CC(=O)OCCCCOC1CCCO1 34a_100000085407_100000033659 [0,1,0,1,0,0|2,0,0]=4 12841 B14R1.427 CC(=O)OCCCCOC1CCOC1 34a_100000073216_100000690089 [0,1,0,1,0,0|2,0,0]=4 12842 B14R1.427 CC(=O)OCCCCOC1CCOC1 7a_100000073216_100000731011 [0,1,0,1,0,0|2,0,0]=4 12843 B14R1.427 CC(=O)OCCCCOC1CCSC1 7a_100011232664_100000033659 [0,1,0,1,0,0|2,0,0]=4 12844 B14R1.427 CC(=O)OCCCCO[C@H]1CCOC1 34a_100000717292_100000033659 [0,1,0,1,0,0|2,0,0]=4 12845 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,1,0,1,0,0|1,0,0]=3 12846 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,1,0,1,0,0|1,0,0]=3 12847 B14R1.427 CC(=O)OCCCCSC1CCOC1 62a_100000033659_100000690089 [0,1,0,1,0,0|2,0,0]=4 12848 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,1,0,1,0,0|1,0,0]=3 12849 B14R1.427 CC(=O)OCCCNCC1CCOC1 34a_100000737293_100000042594 [0,1,0,1,0,0|2,0,0]=4 12850 B14R1.427 CC(=O)OCCCNC[C@@H]1CCCO1 34a_100020590478_100000042594 [0,1,0,1,0,0|2,0,0]=4 12851 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,1,0,1,0,0|1,0,0]=3 12852 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,1,0,1,0,0|1,0,0]=3 12853 B14R1.427 CC(=O)OCCCOCC1CCCO1 34a_100000210270_100000042594 [0,1,0,1,0,0|2,0,0]=4 12854 B14R1.427 CC(=O)OCCCOCC1CCCO1 7a_100000210270_100000042594 [0,1,0,1,0,0|2,0,0]=4 12855 B14R1.427 CC(=O)OCCCOCC1CCNC1 34a_100000748654_100000042594 [0,1,0,1,0,0|2,0,0]=4 12856 B14R1.427 CC(=O)OCCCOCC1CCOC1 34a_100000740260_100000042594 [0,1,0,1,0,0|2,0,0]=4 12857 B14R1.427 CC(=O)OCCCOC[C@H]1CCCN1 34a_100000745186_100000042594 [0,1,0,1,0,0|2,0,0]=4 12858 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,1,0,1,0,0|1,0,0]=3 12859 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,1,0,1,0,0|1,0,0]=3 12860 B14R1.427 CC(=O)OCCCSCC1CCCO1 62a_100000042594_100000203698 [0,1,0,1,0,0|2,0,0]=4 12861 B14R1.427 CC(=O)OCCCSCC1CCCO1 62a_100000203698_100000042594 [0,1,0,1,0,0|2,0,0]=4 12862 B14R1.427 CC(=O)OCCCSCC1CCOC1 62a_100000042594_100000702531 [0,1,0,1,0,0|2,0,0]=4 12863 B14R1.427 CC(=O)OCCCSCC1CCOC1 62a_100000702531_100000042594 [0,1,0,1,0,0|2,0,0]=4 12864 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,1,0,1,0,0|1,0,0]=3 12865 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,1,0,1,0,0|1,0,0]=3 12866 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,1,0,1,0,0|1,0,0]=3 12867 B14R1.427 CC(=O)OCCOCCC1CCNC1 34a_100016987287_100009814007 [0,1,0,1,0,0|2,0,0]=4 12868 B14R1.427 CC(=O)OCCOCCC1CCOC1 34a_100011879284_100009814007 [0,1,0,1,0,0|2,0,0]=4 12869 B14R1.427 CC(=O)OCCOCCN1CCCC1 2230a_100000188435_200000083610 [0,1,0,1,0,0|2,0,0]=4 12870 B14R1.427 CC(=O)OCCOCCN1CCCC1 269982a_100000188435_200000083610 [0,1,0,1,0,0|2,0,0]=4 12871 B14R1.427 CC(=O)OCCOCNC1CCCC1 34a_100000211070_100000076355 [0,1,0,1,0,0|2,0,0]=4 12872 B14R1.427 CC(=O)OCCOCOC1CCCC1 34a_100000210269_100000076355 [0,1,0,1,0,0|2,0,0]=4 12873 B14R1.427 CC(=O)OCCOCSC1CCCC1 62a_100000076355_100000179811 [0,1,0,1,0,0|2,0,0]=4 12874 B14R1.427 CC(=O)OCCOCSC1CCCC1 62a_100011217020_100000076355 [0,1,0,1,0,0|2,0,0]=4 12875 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,1,0,1,0,0|1,0,0]=3 12876 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,1,0,1,0,0|1,0,0]=3 12877 B14R1.427 CC(=O)OCCSCCN1CCCC1 62a_100000700749_100009814007 [0,1,0,1,0,0|2,0,0]=4 12878 B14R1.427 CC(=O)OCCSCCN1CCCC1 62a_100009814007_100000004467 [0,1,0,1,0,0|2,0,0]=4 12879 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,1,0,1,0,0|1,0,0]=3 12880 B14R1.427 CC(=O)OCNCCOC1CCCC1 34a_100000741755_100009813279 [0,1,0,1,0,0|2,0,0]=4 12881 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,1,0,1,0,0|1,0,0]=3 12882 B14R1.427 CC(=O)OCOCCNC1CCCC1 34a_200000200444_100009813279 [0,1,0,1,0,0|2,0,0]=4 12883 B14R1.427 CC(=O)OCOCCOC1CCCC1 34a_100000738311_100009813279 [0,1,0,1,0,0|2,0,0]=4 12884 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,1,0,1,0,0|1,0,0]=3 12885 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,1,0,1,0,0|1,0,0]=3 12886 B14R1.427 CC(=O)OCSCCCN1CCCC1 62a_100000076356_100011445909 [0,1,0,1,0,0|2,0,0]=4 12887 B14R1.427 CC(=O)OCSCCCN1CCCC1 62a_100016991639_100000076356 [0,1,0,1,0,0|2,0,0]=4 12888 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,1,0,1,0,0|1,1,0]=4 12889 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,1,0,1,0,0|1,1,0]=4 12890 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,1,0,1,0,0|1,1,0]=4 12891 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,1,0,1,0,0|1,1,0]=4 12892 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,1,0,1,0,0|1,1,0]=4 12893 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,1,0,1,0,0|1,1,0]=4 12894 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,1,0,1,0,0|1,1,0]=4 12895 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,1,0,1,0,0|1,1,0]=4 12896 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,1,0,1,0,0|1,1,0]=4 12897 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,1,0,1,0,0|1,1,0]=4 12898 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,1,0,1,0,0|1,1,0]=4 12899 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,1,0,1,0,0|1,1,0]=4 12900 B14R1.427 CC(=S)OCCCNCC1CCCC1 2230a_100000737975_200135323944 [0,1,0,1,0,0|1,1,0]=4 12901 B14R1.427 CC(=S)OCCCNCC1CCCC1 34a_100000737975_200135323944 [0,1,0,1,0,0|1,1,0]=4 12902 B14R1.427 CC(=S)OCCCOCC1CCCC1 34a_100000742336_200135323944 [0,1,0,1,0,0|1,1,0]=4 12903 B14R1.427 CC(=S)OCCCOCC1CCCC1 7a_100000742336_200135323944 [0,1,0,1,0,0|1,1,0]=4 12904 B14R1.427 CC(=S)OCCCSCC1CCCC1 62a_100000740388_200135323944 [0,1,0,1,0,0|1,1,0]=4 12905 B14R1.427 CC(=S)OCCCSCC1CCCC1 62a_200135323944_100000740388 [0,1,0,1,0,0|1,1,0]=4 12906 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,1,0,1,0,0|2,0,0]=4 12907 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,1,0,1,0,0|2,0,0]=4 12908 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,1,0,1,0,0|2,0,0]=4 12909 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,1,0,1,0,0|2,0,0]=4 12910 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,1,0,1,0,0|2,0,0]=4 12911 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,1,0,1,0,0|2,0,0]=4 12912 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,1,0,1,0,0|2,0,0]=4 12913 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,1,0,1,0,0|2,0,0]=4 12914 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,1,0,1,0,0|2,0,0]=4 12915 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,1,0,1,0,0|2,0,0]=4 12916 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,1,0,1,0,0|2,0,0]=4 12917 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,1,0,1,0,0|2,0,0]=4 12918 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,1,0,1,0,0|2,0,0]=4 12919 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,1,0,1,0,0|2,0,0]=4 12920 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,1,0,1,0,0|2,0,0]=4 12921 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,1,0,1,0,0|2,0,0]=4 12922 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,1,0,1,0,0|2,0,0]=4 12923 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,1,0,1,0,0|2,0,0]=4 12924 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,1,0,1,0,0|2,0,0]=4 12925 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,1,0,1,0,0|2,0,0]=4 12926 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,1,0,1,0,0|2,0,0]=4 12927 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,1,0,1,0,0|2,0,0]=4 12928 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,1,0,1,0,0|2,0,0]=4 12929 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,1,0,1,0,0|2,0,0]=4 12930 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,1,0,1,0,0|2,0,0]=4 12931 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,1,0,1,0,0|2,0,0]=4 12932 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,1,0,1,0,0|2,0,0]=4 12933 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,1,0,1,0,0|2,0,0]=4 12934 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,1,0,1,0,0|2,0,0]=4 12935 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,1,0,1,0,0|2,0,0]=4 12936 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,1,0,1,0,0|2,0,0]=4 12937 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,1,0,1,0,0|2,0,0]=4 12938 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,1,0,1,0,0|1,0,0]=3 12939 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,1,0,1,0,0|1,0,0]=3 12940 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,1,0,1,0,0|1,0,0]=3 12941 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,1,0,1,0,0|1,0,0]=3 12942 B14R1.427 NC(=O)OCCOCCC1CCNC1 34a_100016987287_200011214921 [0,1,0,1,0,0|2,0,0]=4 12943 B14R1.427 NC(=O)OCCOCCC1CCOC1 34a_100011879284_200011214921 [0,1,0,1,0,0|2,0,0]=4 12944 B14R1.427 NC(=O)OCCOCCN1CCCC1 7a_100000766696_100000004467 [0,1,0,1,0,0|2,0,0]=4 12945 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,1,0,1,0,0|1,0,0]=3 12946 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,1,0,1,0,0|1,0,0]=3 12947 B14R1.427 NC(=O)OCCSCCN1CCCC1 62a_100000700749_200011214921 [0,1,0,1,0,0|2,0,0]=4 12948 B14R1.427 NC(=O)OCCSCCN1CCCC1 62a_200011214921_100000004467 [0,1,0,1,0,0|2,0,0]=4 12949 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,1,0,1,0,0|2,0,0]=4 12950 B14R1.427 O=[N+]([O-])OCCCCNC1CCCC1 34a_100000211070_100015694321 [0,1,0,1,0,0|2,0,0]=4 12951 B14R1.427 O=[N+]([O-])OCCCCOC1CCCC1 34a_100000210269_100015694321 [0,1,0,1,0,0|2,0,0]=4 12952 B14R1.427 O=[N+]([O-])OCCCCOC1CCCC1 7a_100000210269_100015694321 [0,1,0,1,0,0|2,0,0]=4 12953 B14R1.427 O=[N+]([O-])OCCCCSC1CCCC1 62a_100011217020_100015694321 [0,1,0,1,0,0|2,0,0]=4 12954 B14R1.482 CC(=O)OCN1CCCCC1CCO 269982a_100000211664_100000076356 [0,1,0,1,0,0|2,0,0]=4 12955 B14R1.482 CC(=O)OCN1CCCCC1CCO 34a_100000211664_100009813279 [0,1,0,1,0,0|2,0,0]=4 12956 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,1,0,1,0,0|2,0,0]=4 12957 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,1,0,1,0,0|2,0,0]=4 12958 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,1,0,1,0,0|2,0,0]=4 12959 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,1,0,1,0,0|2,0,0]=4 12960 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,1,0,1,0,0|2,0,0]=4 12961 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,1,0,1,0,0|2,0,0]=4 12962 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,1,0,1,0,0|2,0,0]=4 12963 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,1,0,1,0,0|1,0,0]=3 12964 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,1,0,1,0,0|1,0,0]=3 12965 B14R1.482 CCCC1COCCN1COC(=O)C 269982a_102495339903_100000076356 [0,1,0,1,0,0|2,0,0]=4 12966 B14R1.482 CCCC1COCCN1COC(=O)C 34a_102495339903_100009813279 [0,1,0,1,0,0|2,0,0]=4 12967 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,1,0,1,0,0|2,0,0]=4 12968 B14R1.482 COCC1CCCCN1COC(=O)C 269982a_100015184032_100000076356 [0,1,0,1,0,0|2,0,0]=4 12969 B14R1.482 COCC1CCCCN1COC(=O)C 34a_100015184032_100009813279 [0,1,0,1,0,0|2,0,0]=4 12970 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,1,0,1,0,0|2,0,0]=4 12971 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)C 269982a_100020646714_100009814007 [0,1,0,1,0,0|2,0,0]=4 12972 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)C 34a_100020646714_100009814007 [0,1,0,1,0,0|2,0,0]=4 12973 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)N 269982a_100020646714_200011214921 [0,1,0,1,0,0|2,0,0]=4 12974 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)N 34a_100020646714_200011214921 [0,1,0,1,0,0|2,0,0]=4 12975 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,1,0,1,0,0|2,0,0]=4 12976 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,1,0,1,0,0|2,0,0]=4 12977 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,1,0,1,0,0|2,0,0]=4 12978 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,1,0,1,0,0|2,0,0]=4 12979 B14R1.890 C=CCCCCCCOCC1CC1C 34a_100000744939_100011215473 [0,1,0,1,0,0|2,0,0]=4 12980 B14R1.890 C=CCCCCCCOCC1CC1C 7a_100000744939_100011215473 [0,1,0,1,0,0|2,0,0]=4 12981 B14R1.903 C=COCCN1CCCCC1C(C)C 2230a_100000757267_100000039644 [0,1,0,1,0,0|2,0,0]=4 12982 B14R1.903 C=COCCN1CCCCC1C(C)C 269982a_100000757267_100000039644 [0,1,0,1,0,0|2,0,0]=4 12983 B14R1.903 C=COCCN1CCCCC1C(C)C 34a_100000757267_100000039644 [0,1,0,1,0,0|2,0,0]=4 12984 B14R1.903 CC(C)C1CCCCN1CCCC=O 2230a_100000757267_200011292268 [0,1,0,1,0,0|2,0,0]=4 12985 B14R1.903 CC(C)C1CCCCN1CCCC=O 269982a_100000757267_200011292268 [0,1,0,1,0,0|2,0,0]=4 12986 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,1,0,1,0,0|2,0,0]=4 12987 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,1,0,1,0,0|2,0,0]=4 12988 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,1,0,1,0,0|2,0,0]=4 12989 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,1,0,1,0,0|2,0,0]=4 12990 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,1,0,1,0,0|2,0,0]=4 12991 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 12992 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 12993 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 12994 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,1,0,1,0,0|2,0,0]=4 12995 B14R1.910 C=COCCN1CCCC1CC(C)C 2230a_100000748429_100000039644 [0,1,0,1,0,0|2,0,0]=4 12996 B14R1.910 C=COCCN1CCCC1CC(C)C 269982a_100000748429_100000039644 [0,1,0,1,0,0|2,0,0]=4 12997 B14R1.910 C=COCCN1CCCC1CC(C)C 34a_100000748429_100000039644 [0,1,0,1,0,0|2,0,0]=4 12998 B14R1.910 CC(C)CC1CCCN1CCCC=O 2230a_100000748429_200011292268 [0,1,0,1,0,0|2,0,0]=4 12999 B14R1.910 CC(C)CC1CCCN1CCCC=O 269982a_100000748429_200011292268 [0,1,0,1,0,0|2,0,0]=4 13000 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,1,0,1,0,0|2,0,0]=4 13001 B14R1.1252 O=CCCCCN1CCCCC(C1)O 2230a_100025706797_100000139335 [0,1,0,1,0,0|2,0,0]=4 13002 B14R1.1252 O=CCCCCN1CCCCC(C1)O 269982a_100025706797_100000139335 [0,1,0,1,0,0|2,0,0]=4 13003 B14R1.1275 CC1(CC1COCCCCCC=O)C 7a_100000728257_100000139337 [0,1,0,1,0,0|2,0,0]=4 13004 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,1,0,1,0,0|2,0,0]=4 13005 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,1,0,1,0,0|2,0,0]=4 13006 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,1,0,1,0,0|2,0,0]=4 13007 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 13008 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 13009 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 13010 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,1,0,1,0,0|1,0,0]=3 13011 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 13012 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 13013 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,1,0,1,0,0|1,0,0]=3 13014 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,1,0,1,0,0|1,0,0]=3 13015 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,1,0,1,0,0|1,0,0]=3 13016 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,1,0,1,0,0|1,0,0]=3 13017 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,1,0,1,0,0|2,0,0]=4 13018 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,1,0,1,0,0|2,0,0]=4 13019 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,1,0,1,0,0|2,0,0]=4 13020 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,1,0,1,0,0|2,0,0]=4 13021 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,1,0,1,0,0|2,0,0]=4 13022 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,1,0,1,0,0|2,0,0]=4 13023 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,1,0,1,0,0|2,0,0]=4 13024 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,1,0,1,0,0|2,0,0]=4 13025 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 13026 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 13027 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,1,0,1,0,0|1,0,0]=3 13028 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,1,0,1,0,0|1,0,0]=3 13029 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,1,0,1,0,0|2,0,0]=4 13030 B14R1.3129 C=COCCCNC1CCCC1(C)C 269862a_100000210767_100000065263 [0,1,0,1,0,0|2,0,0]=4 13031 B14R1.3129 CC1(CCCC1OCCCCC=O)C 7a_100000726220_100000139335 [0,1,0,1,0,0|2,0,0]=4 13032 B14R1.3129 CC1(CCCN1CCCCCC=O)C 2230a_100000761399_100000139337 [0,1,0,1,0,0|2,0,0]=4 13033 B14R1.3129 CC1(CCCN1CCCCCC=O)C 269982a_100000761399_100000139337 [0,1,0,1,0,0|2,0,0]=4 13034 B14R1.3129 C[C@]1(CCC[C@H]1NCCCCC=O)O 2230a_100015977457_100000139335 [0,1,0,1,0,0|2,0,0]=4 13035 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,1,0,1,0,0|2,0,0]=4 13036 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,1,0,1,0,0|2,0,0]=4 13037 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,1,0,1,0,0|2,0,0]=4 13038 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 13039 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,1,0,1,0,0|2,0,0]=4 13040 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 13041 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,1,0,1,0,0|1,0,0]=3 13042 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,1,0,1,0,0|1,0,0]=3 13043 B14R1.4521 CC(=O)OCCCCCNC1COC1 2230a_100016991112_100009813381 [0,1,0,1,0,0|2,0,0]=4 13044 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,1,0,1,0,0|1,0,0]=3 13045 B14R1.4521 CC(=O)OCCCCCOC1CSC1 7a_100000072292_100000033007 [0,1,0,1,0,0|2,0,0]=4 13046 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,1,0,1,0,0|1,0,0]=3 13047 B14R1.4521 CC(=O)OCCCCCSC1COC1 62a_100000033007_100009818527 [0,1,0,1,0,0|2,0,0]=4 13048 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,1,0,1,0,0|1,0,0]=3 13049 B14R1.4521 CC(=O)OCCCCNCC1COC1 34a_100015281925_100000033659 [0,1,0,1,0,0|2,0,0]=4 13050 B14R1.4521 CC(=O)OCCCCNC[C@@H]1CCO1 34a_100020831831_100000033659 [0,1,0,1,0,0|2,0,0]=4 13051 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,1,0,1,0,0|1,0,0]=3 13052 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,1,0,1,0,0|1,0,0]=3 13053 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,1,0,1,0,0|1,0,0]=3 13054 B14R1.4521 CC(=O)OCCCCOCC1CCO1 34a_100000039022_100000033659 [0,1,0,1,0,0|2,0,0]=4 13055 B14R1.4521 CC(=O)OCCCCOCC1CCO1 34a_100000073216_100000103362 [0,1,0,1,0,0|2,0,0]=4 13056 B14R1.4521 CC(=O)OCCCCOCC1CCO1 7a_100000073216_100000103362 [0,1,0,1,0,0|2,0,0]=4 13057 B14R1.4521 CC(=O)OCCCCOCC1CNC1 34a_100016987283_100000033659 [0,1,0,1,0,0|2,0,0]=4 13058 B14R1.4521 CC(=O)OCCCCOCC1COC1 34a_100000060846_100000033659 [0,1,0,1,0,0|2,0,0]=4 13059 B14R1.4521 CC(=O)OCCCCOCC1COC1 34a_100000073216_100010264016 [0,1,0,1,0,0|2,0,0]=4 13060 B14R1.4521 CC(=O)OCCCCOCC1COC1 7a_100000073216_100010264016 [0,1,0,1,0,0|2,0,0]=4 13061 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,1,0,1,0,0|1,0,0]=3 13062 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,1,0,1,0,0|1,0,0]=3 13063 B14R1.4521 CC(=O)OCCCCSCC1CCO1 62a_100000033659_100000103362 [0,1,0,1,0,0|2,0,0]=4 13064 B14R1.4521 CC(=O)OCCCCSCC1CCO1 62a_100000103362_100000033659 [0,1,0,1,0,0|2,0,0]=4 13065 B14R1.4521 CC(=O)OCCCCSCC1COC1 62a_100000033659_100010264016 [0,1,0,1,0,0|2,0,0]=4 13066 B14R1.4521 CC(=O)OCCCCSCC1COC1 62a_100010264016_100000033659 [0,1,0,1,0,0|2,0,0]=4 13067 B14R1.4521 CC(=O)OCCCOCCC1COC1 34a_100009855314_100000042594 [0,1,0,1,0,0|2,0,0]=4 13068 B14R1.4521 CC(=O)OCCOCCNC1CCC1 2230a_100000749019_200000083610 [0,1,0,1,0,0|2,0,0]=4 13069 B14R1.4521 CC(=O)OCCOCCNC1CCC1 34a_100000749019_200000083610 [0,1,0,1,0,0|2,0,0]=4 13070 B14R1.4521 CC(=O)OCCOCCOC1CCC1 34a_100000748187_200000083610 [0,1,0,1,0,0|2,0,0]=4 13071 B14R1.4521 CC(=O)OCCOCCSC1CCC1 62a_200000083610_100000749161 [0,1,0,1,0,0|2,0,0]=4 13072 B14R1.4521 CC(=O)OCCOCNCC1CCC1 34a_100000738700_100000076355 [0,1,0,1,0,0|2,0,0]=4 13073 B14R1.4521 CC(=O)OCCOCOCC1CCC1 34a_100000760304_100000076355 [0,1,0,1,0,0|2,0,0]=4 13074 B14R1.4521 CC(=O)OCCOCSCC1CCC1 62a_100000076355_100000763275 [0,1,0,1,0,0|2,0,0]=4 13075 B14R1.4521 CC(=O)OCCOCSCC1CCC1 62a_100000763275_100000076355 [0,1,0,1,0,0|2,0,0]=4 13076 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,1,0,1,0,0|1,1,0]=4 13077 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,1,0,1,0,0|1,1,0]=4 13078 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,1,0,1,0,0|1,1,0]=4 13079 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,1,0,1,0,0|1,1,0]=4 13080 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,1,0,1,0,0|1,1,0]=4 13081 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,1,0,1,0,0|2,0,0]=4 13082 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,1,0,1,0,0|2,0,0]=4 13083 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,1,0,1,0,0|2,0,0]=4 13084 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,1,0,1,0,0|2,0,0]=4 13085 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,1,0,1,0,0|2,0,0]=4 13086 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,1,0,1,0,0|2,0,0]=4 13087 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,1,0,1,0,0|2,0,0]=4 13088 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,1,0,1,0,0|2,0,0]=4 13089 B14R1.4521 O=[N+]([O-])OCCCCNCC1CCC1 34a_100000738700_100015694321 [0,1,0,1,0,0|2,0,0]=4 13090 B14R1.4521 O=[N+]([O-])OCCCCOCC1CCC1 34a_100000760304_100015694321 [0,1,0,1,0,0|2,0,0]=4 13091 B14R1.4521 O=[N+]([O-])OCCCCSCC1CCC1 62a_100000763275_100015694321 [0,1,0,1,0,0|2,0,0]=4 13092 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,1,0,1,0,0|2,0,0]=4 13093 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,1,0,1,0,0|2,0,0]=4 13094 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,1,0,1,0,0|1,0,0]=3 13095 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,1,0,1,0,0|1,0,0]=3 13096 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,1,0,1,0,0|2,0,0]=4 13097 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,1,0,1,0,0|2,0,0]=4 13098 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,1,0,1,0,0|2,0,0]=4 13099 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,1,0,1,0,0|2,0,0]=4 13100 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,1,0,1,0,0|2,0,0]=4 13101 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,1,0,1,0,0|2,0,0]=4 13102 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,1,0,1,0,0|2,0,0]=4 13103 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,1,0,1,0,0|2,0,0]=4 13104 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,1,0,1,0,0|2,0,0]=4 13105 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,1,0,1,0,0|2,0,0]=4 13106 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,1,0,1,0,0|2,0,0]=4 13107 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,1,0,1,0,0|2,0,0]=4 13108 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,1,0,1,0,0|2,0,0]=4 13109 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,1,0,1,0,0|2,0,0]=4 13110 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,1,0,1,0,0|2,0,0]=4 13111 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,1,0,1,0,0|2,0,0]=4 13112 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 13113 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 13114 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,1,0,1,0,0|2,0,0]=4 13115 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,1,0,1,0,0|2,0,0]=4 13116 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,1,0,1,0,0|2,0,0]=4 13117 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,1,0,1,0,0|2,0,0]=4 13118 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,1,0,1,0,0|2,0,0]=4 13119 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,1,0,1,0,0|2,0,0]=4 13120 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,1,0,1,0,0|1,0,0]=3 13121 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,1,0,1,0,0|1,0,0]=3 13122 B14R1.6343 CC(=O)OCCCN1CCCOCC1 269982a_100000685342_100000042594 [0,1,0,1,0,0|2,0,0]=4 13123 B14R1.6343 CC(=O)OCCCN1CCCOCC1 34a_100000685342_100000042594 [0,1,0,1,0,0|2,0,0]=4 13124 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,1,0,1,0,0|1,0,0]=3 13125 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,1,0,1,0,0|1,0,0]=3 13126 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,1,0,1,0,0|1,0,0]=3 13127 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,1,0,1,0,0|1,0,0]=3 13128 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,1,0,1,0,0|1,0,0]=3 13129 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,1,0,1,0,0|1,0,0]=3 13130 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,1,0,1,0,0|1,0,0]=3 13131 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,1,0,1,0,0|1,0,0]=3 13132 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,1,0,1,0,0|1,0,0]=3 13133 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,1,0,1,0,0|1,1,0]=4 13134 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,1,0,1,0,0|1,1,0]=4 13135 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,1,0,1,0,0|1,1,0]=4 13136 B14R1.6343 CC(=S)OCCCN1CCCCCC1 2230a_100000185865_200135323944 [0,1,0,1,0,0|1,1,0]=4 13137 B14R1.6343 CC(=S)OCCCN1CCCCCC1 269982a_100000185865_200135323944 [0,1,0,1,0,0|1,1,0]=4 13138 B14R1.6343 CC(=S)OCCCN1CCCCCC1 34a_100000185865_200135323944 [0,1,0,1,0,0|1,1,0]=4 13139 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,1,0,1,0,0|2,0,0]=4 13140 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,1,0,1,0,0|2,0,0]=4 13141 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,1,0,1,0,0|2,0,0]=4 13142 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,1,0,1,0,0|2,0,0]=4 13143 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,1,0,1,0,0|2,0,0]=4 13144 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,1,0,1,0,0|2,0,0]=4 13145 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,1,0,1,0,0|2,0,0]=4 13146 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,1,0,1,0,0|2,0,0]=4 13147 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,1,0,1,0,0|2,0,0]=4 13148 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,1,0,1,0,0|2,0,0]=4 13149 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,1,0,1,0,0|2,0,0]=4 13150 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,1,0,1,0,0|2,0,0]=4 13151 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,1,0,1,0,0|2,0,0]=4 13152 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,1,0,1,0,0|2,0,0]=4 13153 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,1,0,1,0,0|2,0,0]=4 13154 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,1,0,1,0,0|2,0,0]=4 13155 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,1,0,1,0,0|2,0,0]=4 13156 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,1,0,1,0,0|2,0,0]=4 13157 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,1,0,1,0,0|2,0,0]=4 13158 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,1,0,1,0,0|2,0,0]=4 13159 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,1,0,1,0,0|2,0,0]=4 13160 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,1,0,1,0,0|2,0,0]=4 13161 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,1,0,1,0,0|2,0,0]=4 13162 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,1,0,1,0,0|1,0,0]=3 13163 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,1,0,1,0,0|1,0,0]=3 13164 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,1,0,1,0,0|1,0,0]=3 13165 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,1,0,1,0,0|1,0,0]=3 13166 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,1,0,1,0,0|1,0,0]=3 13167 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,1,0,1,0,0|2,0,0]=4 13168 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,1,0,1,0,0|2,0,0]=4 13169 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 13170 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,1,0,1,0,0|2,0,0]=4 13171 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 13172 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 13173 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 13174 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,1,0,1,0,0|1,0,0]=3 13175 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,1,0,1,0,0|1,0,0]=3 13176 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,1,0,1,0,0|1,0,0]=3 13177 B14R1.6388 CC(=O)OCCCCCOC[C@@H]1CO1 34a_100000757423_100000033007 [0,1,0,1,0,0|2,0,0]=4 13178 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,1,0,1,0,0|1,0,0]=3 13179 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,1,0,1,0,0|1,0,0]=3 13180 B14R1.6388 CC(=O)OCCCCCSCC1CO1 62a_100000033007_102125554688 [0,1,0,1,0,0|2,0,0]=4 13181 B14R1.6388 CC(=O)OCCCCCSCC1CO1 62a_102125554688_100000033007 [0,1,0,1,0,0|2,0,0]=4 13182 B14R1.6388 CC(=O)OCCCCCSCC1CS1 62a_100000031435_100000033007 [0,1,0,1,0,0|2,0,0]=4 13183 B14R1.6388 CC(=O)OCCCCCSCC1CS1 62a_100000033007_100000031435 [0,1,0,1,0,0|2,0,0]=4 13184 B14R1.6388 CC(=O)OCCCCCSC[C@@H]1CO1 62a_100000033007_100000745022 [0,1,0,1,0,0|2,0,0]=4 13185 B14R1.6388 CC(=O)OCCCCCSC[C@@H]1CO1 62a_100000745022_100000033007 [0,1,0,1,0,0|2,0,0]=4 13186 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,1,0,1,0,0|1,0,0]=3 13187 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,1,0,1,0,0|1,0,0]=3 13188 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,1,0,1,0,0|1,0,0]=3 13189 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,1,0,1,0,0|1,0,0]=3 13190 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,1,0,1,0,0|1,0,0]=3 13191 B14R1.6388 CC(=O)OCCCCOCCC1CO1 34a_100000073216_100000732470 [0,1,0,1,0,0|2,0,0]=4 13192 B14R1.6388 CC(=O)OCCCCOCCC1CO1 7a_100000073216_100000732470 [0,1,0,1,0,0|2,0,0]=4 13193 B14R1.6388 CC(=O)OCCCCOCC[C@@H]1CO1 34a_100009820653_100000033659 [0,1,0,1,0,0|2,0,0]=4 13194 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,1,0,1,0,0|1,0,0]=3 13195 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,1,0,1,0,0|1,0,0]=3 13196 B14R1.6388 CC(=O)OCCCCSCCC1CO1 62a_100000033659_100000732470 [0,1,0,1,0,0|2,0,0]=4 13197 B14R1.6388 CC(=O)OCCCCSCCC1CO1 62a_100000732470_100000033659 [0,1,0,1,0,0|2,0,0]=4 13198 B14R1.6388 CC(=O)OCCCOCCNC1CC1 34a_100000738766_100000042594 [0,1,0,1,0,0|2,0,0]=4 13199 B14R1.6388 CC(=O)OCCCSCCCC1CO1 62a_100000042594_100000733510 [0,1,0,1,0,0|2,0,0]=4 13200 B14R1.6388 CC(=O)OCCCSCCCC1CO1 62a_100000733510_100000042594 [0,1,0,1,0,0|2,0,0]=4 13201 B14R1.6388 CC(=O)OCCOCCNCC1CC1 2230a_100000735609_200000083610 [0,1,0,1,0,0|2,0,0]=4 13202 B14R1.6388 CC(=O)OCCOCCNCC1CC1 34a_100000735609_200000083610 [0,1,0,1,0,0|2,0,0]=4 13203 B14R1.6388 CC(=O)OCCOCCOCC1CC1 34a_100000211283_200000083610 [0,1,0,1,0,0|2,0,0]=4 13204 B14R1.6388 CC(=O)OCCOCCSCC1CC1 62a_100000756562_200000083610 [0,1,0,1,0,0|2,0,0]=4 13205 B14R1.6388 CC(=O)OCCOCCSCC1CC1 62a_200000083610_100000742324 [0,1,0,1,0,0|2,0,0]=4 13206 B14R1.6388 CC(=O)OCCOCNCCC1CC1 34a_100000764129_100000076355 [0,1,0,1,0,0|2,0,0]=4 13207 B14R1.6388 CC(=O)OCCOCOCCC1CC1 34a_100000754188_100000076355 [0,1,0,1,0,0|2,0,0]=4 13208 B14R1.6388 CC(=O)OCCOCSCCC1CC1 62a_100000076355_100000764125 [0,1,0,1,0,0|2,0,0]=4 13209 B14R1.6388 CC(=O)OCCOCSCCC1CC1 62a_100000764125_100000076355 [0,1,0,1,0,0|2,0,0]=4 13210 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,1,0,1,0,0|1,1,0]=4 13211 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,1,0,1,0,0|1,1,0]=4 13212 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,1,0,1,0,0|1,1,0]=4 13213 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,1,0,1,0,0|1,1,0]=4 13214 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,1,0,1,0,0|1,1,0]=4 13215 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,1,0,1,0,0|2,0,0]=4 13216 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,1,0,1,0,0|2,0,0]=4 13217 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,1,0,1,0,0|2,0,0]=4 13218 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,1,0,1,0,0|2,0,0]=4 13219 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,1,0,1,0,0|2,0,0]=4 13220 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,1,0,1,0,0|2,0,0]=4 13221 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,1,0,1,0,0|2,0,0]=4 13222 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,1,0,1,0,0|2,0,0]=4 13223 B14R1.6388 O=[N+]([O-])OCCCCNCCC1CC1 34a_100000764129_100015694321 [0,1,0,1,0,0|2,0,0]=4 13224 B14R1.6388 O=[N+]([O-])OCCCCOCCC1CC1 34a_100000754188_100015694321 [0,1,0,1,0,0|2,0,0]=4 13225 B14R1.6388 O=[N+]([O-])OCCCCOCCC1CC1 7a_100000754188_100015694321 [0,1,0,1,0,0|2,0,0]=4 13226 B14R1.6388 O=[N+]([O-])OCCCCSCCC1CC1 62a_100000764125_100015694321 [0,1,0,1,0,0|2,0,0]=4 13227 B14R1.123 C#CCOCCCCC1CCCCC1 34a_100011215267_100000184674 [0,1,0,1,0,0|1,0,1]=4 13228 B14R1.123 C#CCOCCCCC1CCCCC1 7a_100011215267_100000038162 [0,1,0,1,0,0|1,0,1]=4 13229 B14R1.123 C/C=C/CCOCCC1CCCCC1 34a_100016278192_100011209188 [0,1,0,1,0,0|2,0,0]=4 13230 B14R1.123 C/C=C/CNCCCC1CCCCC1 34a_100011211642_100102629194 [0,1,0,1,0,0|2,0,0]=4 13231 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100000198086_100102629194 [0,1,0,1,0,0|2,0,0]=4 13232 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100016270725_100011713725 [0,1,0,1,0,0|2,0,0]=4 13233 B14R1.123 C/C=C/COCCCC1CCCCC1 7a_100000198086_100102629194 [0,1,0,1,0,0|2,0,0]=4 13234 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100011713725_100102629194 [0,1,0,1,0,0|2,0,0]=4 13235 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100102629194_100011713725 [0,1,0,1,0,0|2,0,0]=4 13236 B14R1.123 C=CCCCCCNC1CCCCC1 2230a_100000182618_100000700193 [0,1,0,1,0,0|2,0,0]=4 13237 B14R1.123 C=CCCCCCNC1CCCCC1 34a_100000182618_100000700193 [0,1,0,1,0,0|2,0,0]=4 13238 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100000210231_100000700193 [0,1,0,1,0,0|2,0,0]=4 13239 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100011216702_100000210327 [0,1,0,1,0,0|2,0,0]=4 13240 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100000210231_100000700193 [0,1,0,1,0,0|2,0,0]=4 13241 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100011216702_100000210327 [0,1,0,1,0,0|2,0,0]=4 13242 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000210327_100000700193 [0,1,0,1,0,0|2,0,0]=4 13243 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000700193_100000210327 [0,1,0,1,0,0|2,0,0]=4 13244 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000210473_100011215482 [0,1,0,1,0,0|2,0,0]=4 13245 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000703577_100000211423 [0,1,0,1,0,0|2,0,0]=4 13246 B14R1.123 C=CCCCCNCC1CCCCC1 269862a_100000703577_100000211278 [0,1,0,1,0,0|2,0,0]=4 13247 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000210473_100011215482 [0,1,0,1,0,0|2,0,0]=4 13248 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000703577_100000211423 [0,1,0,1,0,0|2,0,0]=4 13249 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000212181_100011215482 [0,1,0,1,0,0|2,0,0]=4 13250 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000766645_100000211423 [0,1,0,1,0,0|2,0,0]=4 13251 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000212181_100011215482 [0,1,0,1,0,0|2,0,0]=4 13252 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000766645_100000211423 [0,1,0,1,0,0|2,0,0]=4 13253 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100000211423_100011215482 [0,1,0,1,0,0|2,0,0]=4 13254 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100011215482_100000211423 [0,1,0,1,0,0|2,0,0]=4 13255 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000700776_100012355289 [0,1,0,1,0,0|2,0,0]=4 13256 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000738074_100011713584 [0,1,0,1,0,0|2,0,0]=4 13257 B14R1.123 C=CCCCNCCC1CCCCC1 270004a_100000700776_100011713444 [0,1,0,1,0,0|2,0,0]=4 13258 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000700776_100011209188 [0,1,0,1,0,0|2,0,0]=4 13259 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000738074_100000757094 [0,1,0,1,0,0|2,0,0]=4 13260 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100000758997_100011209188 [0,1,0,1,0,0|2,0,0]=4 13261 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100011217863_100000757094 [0,1,0,1,0,0|2,0,0]=4 13262 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100000758997_100011273959 [0,1,0,1,0,0|2,0,0]=4 13263 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100011217863_100000757094 [0,1,0,1,0,0|2,0,0]=4 13264 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100011713584_100012355289 [0,1,0,1,0,0|2,0,0]=4 13265 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100012355289_100000757094 [0,1,0,1,0,0|2,0,0]=4 13266 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100011211642_100000754431 [0,1,0,1,0,0|2,0,0]=4 13267 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100015191253_100011713725 [0,1,0,1,0,0|2,0,0]=4 13268 B14R1.123 C=CCCNCCCC1CCCCC1 34a_100011211642_100000754431 [0,1,0,1,0,0|2,0,0]=4 13269 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100000198086_100000754431 [0,1,0,1,0,0|2,0,0]=4 13270 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100011205117_100011713725 [0,1,0,1,0,0|2,0,0]=4 13271 B14R1.123 C=CCCOCCCC1CCCCC1 7a_100000198086_100000754431 [0,1,0,1,0,0|2,0,0]=4 13272 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100000754431_100011713725 [0,1,0,1,0,0|2,0,0]=4 13273 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100011713725_100000754431 [0,1,0,1,0,0|2,0,0]=4 13274 B14R1.123 C=CCOCCCCC1CCCCC1 34a_100011215267_100015514636 [0,1,0,1,0,0|1,0,0]=3 13275 B14R1.123 C=CCOCCCCC1CCCCC1 7a_100011215267_100015514636 [0,1,0,1,0,0|1,0,0]=3 13276 B14R1.123 C=CCOCCCCC1CCNCC1 34a_100016989291_100015514636 [0,1,0,1,0,0|2,0,0]=4 13277 B14R1.123 C=CCOCCOCC1CCCCC1 34a_100000037705_100000211423 [0,1,0,1,0,0|2,0,0]=4 13278 B14R1.123 C=CCOCCOCC1CCCCC1 7a_100000037705_100000211423 [0,1,0,1,0,0|2,0,0]=4 13279 B14R1.123 C=COCCCCOC1CCCCC1 34a_100000031558_100000210327 [0,1,0,1,0,0|1,0,0]=3 13280 B14R1.123 C=COCCCCOC1CCCCC1 7a_100000031558_100000210327 [0,1,0,1,0,0|1,0,0]=3 13281 B14R1.123 C=COCCCCOC1CCCOC1 34a_100000031558_100000693364 [0,1,0,1,0,0|2,0,0]=4 13282 B14R1.123 C=COCCCCOC1CCCOC1 7a_100000031558_100000693364 [0,1,0,1,0,0|2,0,0]=4 13283 B14R1.123 C=COCCCCOC1CCOCC1 7a_100000031558_100000686592 [0,1,0,1,0,0|2,0,0]=4 13284 B14R1.123 C=COCCCCOC1CCSCC1 34a_100000031558_100000069128 [0,1,0,1,0,0|2,0,0]=4 13285 B14R1.123 C=COCCCCOC1CCSCC1 7a_100000031558_100011500858 [0,1,0,1,0,0|2,0,0]=4 13286 B14R1.123 C=COCCCNCC1CCCCC1 2230a_100000210767_100000211423 [0,1,0,1,0,0|1,0,0]=3 13287 B14R1.123 C=COCCCNCC1CCCCC1 269862a_100000210767_100000211278 [0,1,0,1,0,0|1,0,0]=3 13288 B14R1.123 C=COCCCNCC1CCCCC1 34a_100000210767_100000211423 [0,1,0,1,0,0|1,0,0]=3 13289 B14R1.123 C=COCCCNCC1CCCCO1 2230a_100000210767_100000211543 [0,1,0,1,0,0|2,0,0]=4 13290 B14R1.123 C=COCCCNCC1CCCCO1 34a_100000210767_100000211543 [0,1,0,1,0,0|2,0,0]=4 13291 B14R1.123 C=COCCCNCC1CCCOC1 2230a_100000210767_100000741521 [0,1,0,1,0,0|2,0,0]=4 13292 B14R1.123 C=COCCCNCC1CCCOC1 34a_100000210767_100000741521 [0,1,0,1,0,0|2,0,0]=4 13293 B14R1.123 C=COCCCNCC1CCOCC1 2230a_100000210767_100000754603 [0,1,0,1,0,0|2,0,0]=4 13294 B14R1.123 C=COCCCNCC1CCOCC1 269862a_100000210767_100000749017 [0,1,0,1,0,0|2,0,0]=4 13295 B14R1.123 C=COCCCNCC1CCOCC1 34a_100000210767_100000754603 [0,1,0,1,0,0|2,0,0]=4 13296 B14R1.123 C=COCCCNCC1CCSCC1 269862a_100000210767_100000067145 [0,1,0,1,0,0|2,0,0]=4 13297 B14R1.123 C=COCCCNCC1CCSCC1 270004a_100000210767_100000067145 [0,1,0,1,0,0|2,0,0]=4 13298 B14R1.123 C=COCCNCCC1CCCCC1 2230a_100000738074_100000039644 [0,1,0,1,0,0|1,0,0]=3 13299 B14R1.123 C=COCCNCCC1CCCCC1 34a_100000738074_100000039644 [0,1,0,1,0,0|1,0,0]=3 13300 B14R1.123 C=COCCNCCC1CCCCO1 2230a_100015183643_100000039644 [0,1,0,1,0,0|2,0,0]=4 13301 B14R1.123 C=COCCNCCC1CCCCO1 34a_100015183643_100000039644 [0,1,0,1,0,0|2,0,0]=4 13302 B14R1.123 C=COCCNCCC1CCOCC1 2230a_100000755988_100000039644 [0,1,0,1,0,0|2,0,0]=4 13303 B14R1.123 C=COCCNCCC1CCOCC1 34a_100000755988_100000039644 [0,1,0,1,0,0|2,0,0]=4 13304 B14R1.123 C=COCCOCCC1CCCCC1 34a_100000033082_100011209188 [0,1,0,1,0,0|1,0,0]=3 13305 B14R1.123 C=COCCOCCC1CCCCC1 34a_100011217863_100000039644 [0,1,0,1,0,0|1,0,0]=3 13306 B14R1.123 C=COCCOCCC1CCCCC1 7a_100011217863_100000039644 [0,1,0,1,0,0|1,0,0]=3 13307 B14R1.123 C=COCCOCCC1CCCCN1 34a_100000211664_100000039644 [0,1,0,1,0,0|2,0,0]=4 13308 B14R1.123 C=COCCOCCC1CCCNC1 34a_100000752241_100000039644 [0,1,0,1,0,0|2,0,0]=4 13309 B14R1.123 C=COCCOCCC1CCNCC1 34a_100015190746_100000039644 [0,1,0,1,0,0|2,0,0]=4 13310 B14R1.123 C=COCCOCCC1CCOCC1 34a_100000033082_100011934994 [0,1,0,1,0,0|2,0,0]=4 13311 B14R1.123 C=COCCOCCC1CCOCC1 34a_100011933979_100000039644 [0,1,0,1,0,0|2,0,0]=4 13312 B14R1.123 C=COCCOCCC1CCOCC1 7a_100011933979_100000039644 [0,1,0,1,0,0|2,0,0]=4 13313 B14R1.123 C=COCCOCCN1CCCCC1 34a_100000033082_100000739454 [0,1,0,1,0,0|2,0,0]=4 13314 B14R1.123 C=COCCOCOC1CCCCC1 34a_100000033082_100011935260 [0,1,0,1,0,0|2,0,0]=4 13315 B14R1.123 C=COCCSCCC1CCCCC1 62a_100000039644_100012355289 [0,1,0,1,0,0|1,0,0]=3 13316 B14R1.123 C=COCCSCCC1CCCCC1 62a_100012355289_100000039644 [0,1,0,1,0,0|1,0,0]=3 13317 B14R1.123 C=COCCSCCC1CCOCC1 62a_100000039644_100011934994 [0,1,0,1,0,0|2,0,0]=4 13318 B14R1.123 C=COCCSCCC1CCOCC1 62a_100011934994_100000039644 [0,1,0,1,0,0|2,0,0]=4 13319 B14R1.123 C=COCCSCCN1CCCCC1 62a_100000039644_100000739454 [0,1,0,1,0,0|2,0,0]=4 13320 B14R1.123 C=COCCSCCN1CCCCC1 62a_100000739454_100000039644 [0,1,0,1,0,0|2,0,0]=4 13321 B14R1.123 C=COCCSCOC1CCCCC1 62a_100000039644_100011935260 [0,1,0,1,0,0|2,0,0]=4 13322 B14R1.123 C=COCCSCOC1CCCCC1 62a_100011935260_100000039644 [0,1,0,1,0,0|2,0,0]=4 13323 B14R1.123 CC=CCCCOCC1CCCCC1 34a_100020645299_100000211423 [0,1,0,1,0,0|2,0,0]=4 13324 B14R1.123 CC=CCNCCCC1CCCCC1 2230a_100011211642_100000070051 [0,1,0,1,0,0|2,0,0]=4 13325 B14R1.123 CC=CCNCCCC1CCCCC1 34a_100011211642_100000070051 [0,1,0,1,0,0|2,0,0]=4 13326 B14R1.123 CC=CCOCCCC1CCCCC1 34a_100000198086_100000070051 [0,1,0,1,0,0|2,0,0]=4 13327 B14R1.123 CC=CCOCCCC1CCCCC1 7a_100000198086_100000070051 [0,1,0,1,0,0|2,0,0]=4 13328 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100000070051_100011713725 [0,1,0,1,0,0|2,0,0]=4 13329 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100011713725_100000070051 [0,1,0,1,0,0|2,0,0]=4 13330 B14R1.123 CCCCCCCCN1CC=CCC1 2230a_100000698166_100000210759 [0,1,0,1,0,0|2,0,0]=4 13331 B14R1.123 CCCCCCCCN1CC=CCC1 269982a_100000698166_100000210759 [0,1,0,1,0,0|2,0,0]=4 13332 B14R1.123 CCCCCCCCN1CC=CCC1 34a_100000698166_100000210759 [0,1,0,1,0,0|2,0,0]=4 13333 B14R1.123 CCCCCCCCN1CCOCC1 2230a_100015191051_100000210759 [0,1,0,1,0,0|1,0,1]=4 13334 B14R1.123 CCCCCCCCN1CCOCC1 269982a_100015191051_100000210759 [0,1,0,1,0,0|1,0,1]=4 13335 B14R1.123 CCCCCCCCN1CCOCC1 34a_100015191051_100000210759 [0,1,0,1,0,0|1,0,1]=4 13336 B14R1.123 CCCCCCCNC1C=CCCC1 2230a_100000229938_100000751183 [0,1,0,1,0,0|2,0,0]=4 13337 B14R1.123 CCCCCCCNC1CCOCC1 2230a_100000741149_100000210681 [0,1,0,1,0,0|1,0,1]=4 13338 B14R1.123 CCCCCCCNC1CCOCC1 270004a_100000229938_100011217826 [0,1,0,1,0,0|1,0,1]=4 13339 B14R1.123 CCCCCCCNC1CCOCC1 34a_100000741149_100000210614 [0,1,0,1,0,0|1,0,1]=4 13340 B14R1.123 CCCCCCCOC1C=CCCC1 34a_100011215024_100000210614 [0,1,0,1,0,0|2,0,0]=4 13341 B14R1.123 CCCCCCCOC1C=CCCC1 7a_100000210272_100000751183 [0,1,0,1,0,0|2,0,0]=4 13342 B14R1.123 CCCCCCCOC1CC=CCC1 34a_100000073881_100000210614 [0,1,0,1,0,0|2,0,0]=4 13343 B14R1.123 CCCCCCCOC1CCOCC1 34a_100000744328_100000210614 [0,1,0,1,0,0|1,0,1]=4 13344 B14R1.123 CCCCCCCOC1CCOCC1 7a_100000210272_100000686592 [0,1,0,1,0,0|1,0,1]=4 13345 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000210614_100000751183 [0,1,0,1,0,0|2,0,0]=4 13346 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000751183_100000210316 [0,1,0,1,0,0|2,0,0]=4 13347 B14R1.123 CCCCCCCSC1CCOCC1 62a_100000210614_100011324220 [0,1,0,1,0,0|1,0,1]=4 13348 B14R1.123 CCCCCCNCC1CC=CCC1 270004a_100000210581_100000189434 [0,1,0,1,0,0|2,0,0]=4 13349 B14R1.123 CCCCCCNCC1CCOCC1 2230a_100000210581_100000754603 [0,1,0,1,0,0|1,0,1]=4 13350 B14R1.123 CCCCCCNCC1CCOCC1 2230a_100000746373_100000210314 [0,1,0,1,0,0|1,0,1]=4 13351 B14R1.123 CCCCCCNCC1CCOCC1 269862a_100000210581_100000749017 [0,1,0,1,0,0|1,0,1]=4 13352 B14R1.123 CCCCCCNCC1CCOCC1 34a_100000746373_100000210314 [0,1,0,1,0,0|1,0,1]=4 13353 B14R1.123 CCCCCCOCC1CC=CCC1 34a_100000210713_100000210314 [0,1,0,1,0,0|2,0,0]=4 13354 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [0,1,0,1,0,0|1,0,1]=4 13355 B14R1.123 CCCCCCOCC1CCOCC1 34a_100000210259_100000754603 [0,1,0,1,0,0|1,0,1]=4 13356 B14R1.123 CCCCCCOCC1CCOCC1 34a_100000749013_100000210314 [0,1,0,1,0,0|1,0,1]=4 13357 B14R1.123 CCCCCCOCC1CCOCC1 7a_100000210259_100000754603 [0,1,0,1,0,0|1,0,1]=4 13358 B14R1.123 CCCCCCSCC1CCOCC1 62a_100000210314_100000749018 [0,1,0,1,0,0|1,0,1]=4 13359 B14R1.123 CCCCCCSCC1CCOCC1 62a_100000754603_100000210757 [0,1,0,1,0,0|1,0,1]=4 13360 B14R1.123 CCCCCNCCC1CCOCC1 2230a_100000209983_100011934994 [0,1,0,1,0,0|1,0,1]=4 13361 B14R1.123 CCCCCNCCC1CCOCC1 2230a_100000755988_100000210326 [0,1,0,1,0,0|1,0,1]=4 13362 B14R1.123 CCCCCNCCC1CCOCC1 34a_100000755988_100000718602 [0,1,0,1,0,0|1,0,1]=4 13363 B14R1.123 CCCCCOCCC1CCOCC1 34a_100000210253_100011934994 [0,1,0,1,0,0|1,0,1]=4 13364 B14R1.123 CCCCCOCCC1CCOCC1 34a_100011933979_100000718602 [0,1,0,1,0,0|1,0,1]=4 13365 B14R1.123 CCCCCOCCC1CCOCC1 7a_100000210253_100011934994 [0,1,0,1,0,0|1,0,1]=4 13366 B14R1.123 CCCCCOCCC1CCOCC1 7a_100011933979_100000210326 [0,1,0,1,0,0|1,0,1]=4 13367 B14R1.123 CCCCCSCCC1CCOCC1 62a_100000210326_100011934994 [0,1,0,1,0,0|1,0,1]=4 13368 B14R1.123 CCCCCSCCC1CCOCC1 62a_100011934994_100000210326 [0,1,0,1,0,0|1,0,1]=4 13369 B14R1.123 CCCOCCCCC1CCCCC1 34a_100011215267_100000210303 [0,1,0,1,0,0|1,0,1]=4 13370 B14R1.123 CCCOCCCCC1CCCCC1 7a_100011215267_100000210303 [0,1,0,1,0,0|1,0,1]=4 13371 B14R1.123 CCOCCCCCN1CCCCC1 34a_100011216611_100000210202 [0,1,0,1,0,0|1,0,1]=4 13372 B14R1.123 CCOCCCCCN1CCCCC1 7a_100011216611_100000210202 [0,1,0,1,0,0|1,0,1]=4 13373 B14R1.123 CCOCCCNCC1CCCCC1 2230a_100000210473_100012232248 [0,1,0,1,0,0|1,0,1]=4 13374 B14R1.123 CCOCCCNCC1CCCCC1 2230a_100000210961_100000211423 [0,1,0,1,0,0|1,0,1]=4 13375 B14R1.123 CCOCCCNCC1CCCCC1 269862a_100000210961_100000211278 [0,1,0,1,0,0|1,0,1]=4 13376 B14R1.123 CCOCCCNCC1CCCCC1 34a_100000210473_100012232248 [0,1,0,1,0,0|1,0,1]=4 13377 B14R1.123 CCOCCCNCC1CCCCC1 34a_100000210961_100000211423 [0,1,0,1,0,0|1,0,1]=4 13378 B14R1.123 CCOCCCOCC1CCCCC1 34a_100000212181_100012232248 [0,1,0,1,0,0|1,0,1]=4 13379 B14R1.123 CCOCCCOCC1CCCCC1 34a_100000757476_100000211423 [0,1,0,1,0,0|1,0,1]=4 13380 B14R1.123 CCOCCCOCC1CCCCC1 7a_100000212181_100012232248 [0,1,0,1,0,0|1,0,1]=4 13381 B14R1.123 CCOCCCOCC1CCCCC1 7a_100000757476_100000211423 [0,1,0,1,0,0|1,0,1]=4 13382 B14R1.123 CCOCCCSCC1CCCCC1 62a_100000211423_100012232248 [0,1,0,1,0,0|1,0,1]=4 13383 B14R1.123 CCOCCCSCC1CCCCC1 62a_100012232248_100000211423 [0,1,0,1,0,0|1,0,1]=4 13384 B14R1.123 CCOCCNCCC1CCCCC1 2230a_100000738074_100011215890 [0,1,0,1,0,0|1,0,1]=4 13385 B14R1.123 CCOCCNCCC1CCCCC1 2230a_102516460346_100012355289 [0,1,0,1,0,0|1,0,1]=4 13386 B14R1.123 CCOCCNCCC1CCCCC1 270004a_102516460346_100011713444 [0,1,0,1,0,0|1,0,1]=4 13387 B14R1.123 CCOCCNCCC1CCCCC1 34a_100000738074_100000210147 [0,1,0,1,0,0|1,0,1]=4 13388 B14R1.123 CCOCCNCCC1CCCCC1 34a_102516460346_100011209188 [0,1,0,1,0,0|1,0,1]=4 13389 B14R1.123 CCOCCOCCC1CCCCC1 34a_100000210136_100011209188 [0,1,0,1,0,0|1,0,1]=4 13390 B14R1.123 CCOCCOCCC1CCCCC1 34a_100011217863_100000210147 [0,1,0,1,0,0|1,0,1]=4 13391 B14R1.123 CCOCCOCCC1CCCCC1 7a_100000210136_100011273959 [0,1,0,1,0,0|1,0,1]=4 13392 B14R1.123 CCOCCOCCC1CCCCC1 7a_100011217863_100011215890 [0,1,0,1,0,0|1,0,1]=4 13393 B14R1.123 CCOCCSCCC1CCCCC1 62a_100000210147_100012355289 [0,1,0,1,0,0|1,0,1]=4 13394 B14R1.123 CCOCCSCCC1CCCCC1 62a_100012355289_100011215890 [0,1,0,1,0,0|1,0,1]=4 13395 B14R1.123 CCOCSCCCC1CCCCC1 62a_100000739092_100011713725 [0,1,0,1,0,0|1,0,1]=4 13396 B14R1.123 CCOCSCCCC1CCCCC1 62a_100011713725_100000739092 [0,1,0,1,0,0|1,0,1]=4 13397 B14R1.123 CSCOCCCCC1CCCCC1 34a_100011215267_100011218213 [0,1,0,1,0,0|0,1,1]=4 13398 B14R1.123 FCCOCCCCC1CCCCC1 34a_100011215267_100011217306 [0,1,0,1,0,0|1,0,1]=4 13399 B14R1.123 FCCOCCCCC1CCCCC1 7a_100011215267_100011217306 [0,1,0,1,0,0|1,0,1]=4 13400 B14R1.123 FCOCCCCCN1CCCCC1 34a_100011216611_100015361967 [0,1,0,1,0,0|1,0,1]=4 13401 B14R1.123 FCOCCCCCN1CCCCC1 7a_100011216611_100015361967 [0,1,0,1,0,0|1,0,1]=4 13402 B14R1.123 N#CCOCCCCC1CCCCC1 7a_100011215267_100011215382 [0,1,0,1,0,0|1,0,1]=4 13403 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [0,1,0,1,0,0|1,0,0]=3 13404 B14R1.123 O=CCCCCCNC1CCCOC1 2230a_100000719290_100000139337 [0,1,0,1,0,0|2,0,0]=4 13405 B14R1.123 O=CCCCCCNC1CCOCC1 2230a_100000741149_100000139337 [0,1,0,1,0,0|2,0,0]=4 13406 B14R1.123 O=CCCCCCNC1CCSCC1 2230a_100000748639_100000139337 [0,1,0,1,0,0|2,0,0]=4 13407 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [0,1,0,1,0,0|1,0,0]=3 13408 B14R1.123 O=CCCCCCOC1CCCSC1 7a_100015962668_100000139337 [0,1,0,1,0,0|2,0,0]=4 13409 B14R1.123 O=CCCCCCOC1CCSCC1 7a_100000731022_100000139337 [0,1,0,1,0,0|2,0,0]=4 13410 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [0,1,0,1,0,0|1,0,0]=3 13411 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [0,1,0,1,0,0|1,0,0]=3 13412 B14R1.123 O=CCCCCCSC1CCCOC1 62a_100000139337_100000693364 [0,1,0,1,0,0|2,0,0]=4 13413 B14R1.123 O=CCCCCCSC1CCOCC1 62a_100000139337_100011324220 [0,1,0,1,0,0|2,0,0]=4 13414 B14R1.123 O=CCCCCCSC1CCSCC1 62a_100000139337_100000069128 [0,1,0,1,0,0|2,0,0]=4 13415 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [0,1,0,1,0,0|1,0,0]=3 13416 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [0,1,0,1,0,0|2,0,0]=4 13417 B14R1.123 O=CCCCCNCC1CCCOC1 2230a_100000720124_100000139335 [0,1,0,1,0,0|2,0,0]=4 13418 B14R1.123 O=CCCCCNCC1CCOCC1 2230a_100000746373_100000139335 [0,1,0,1,0,0|2,0,0]=4 13419 B14R1.123 O=CCCCCNCC1CCSCC1 2230a_100015188806_100000139335 [0,1,0,1,0,0|2,0,0]=4 13420 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [0,1,0,1,0,0|1,0,0]=3 13421 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [0,1,0,1,0,0|2,0,0]=4 13422 B14R1.123 O=CCCCCOCC1CCSCC1 7a_100000070558_100000139335 [0,1,0,1,0,0|2,0,0]=4 13423 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [0,1,0,1,0,0|1,0,0]=3 13424 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [0,1,0,1,0,0|1,0,0]=3 13425 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [0,1,0,1,0,0|2,0,0]=4 13426 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [0,1,0,1,0,0|2,0,0]=4 13427 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000139335_100000741521 [0,1,0,1,0,0|2,0,0]=4 13428 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000741521_100000139335 [0,1,0,1,0,0|2,0,0]=4 13429 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000139335_100000749018 [0,1,0,1,0,0|2,0,0]=4 13430 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000754603_100000139335 [0,1,0,1,0,0|2,0,0]=4 13431 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [0,1,0,1,0,0|1,0,0]=3 13432 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [0,1,0,1,0,0|2,0,0]=4 13433 B14R1.123 O=CCCCNCCC1CCOCC1 2230a_100000755988_200011292268 [0,1,0,1,0,0|2,0,0]=4 13434 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [0,1,0,1,0,0|1,0,0]=3 13435 B14R1.123 O=CCCCOCCC1CCOCC1 7a_100011933979_200011292268 [0,1,0,1,0,0|2,0,0]=4 13436 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [0,1,0,1,0,0|1,0,0]=3 13437 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [0,1,0,1,0,0|1,0,0]=3 13438 B14R1.123 O=CCCCSCCC1CCOCC1 62a_100011934994_200011292268 [0,1,0,1,0,0|2,0,0]=4 13439 B14R1.123 O=CCCCSCCC1CCOCC1 62a_200011292268_100011934994 [0,1,0,1,0,0|2,0,0]=4 13440 B14R1.123 O=CCCCSCCN1CCCCC1 62a_100000739454_200011292268 [0,1,0,1,0,0|2,0,0]=4 13441 B14R1.123 O=CCCCSCCN1CCCCC1 62a_200011292268_100000739454 [0,1,0,1,0,0|2,0,0]=4 13442 B14R1.123 O=CCCCSCOC1CCCCC1 62a_100011935260_200011292268 [0,1,0,1,0,0|2,0,0]=4 13443 B14R1.123 O=CCCCSCOC1CCCCC1 62a_200011292268_100011935260 [0,1,0,1,0,0|2,0,0]=4 13444 B14R1.123 O=CCNCCCOC1CCCCC1 34a_100000205933_200009817547 [0,1,0,1,0,0|2,0,0]=4 13445 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [0,1,0,1,0,0|0,0,0]=2 13446 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [0,1,0,1,0,0|0,0,0]=2 13447 B14R1.123 O=CCOCCCCC1CCNCC1 34a_100016989291_200009817547 [0,1,0,1,0,0|1,0,0]=3 13448 B14R1.123 O=CCOCCCCN1CCOCC1 34a_100000723369_200009817547 [0,1,0,1,0,0|2,0,0]=4 13449 B14R1.123 OCCOCCCCC1CCCCC1 34a_100011215267_100000211926 [0,1,0,1,0,0|0,0,2]=4 13450 B14R1.123 OCCOCCCCC1CCCCC1 7a_100011215267_100000211926 [0,1,0,1,0,0|0,0,2]=4 13451 B14R1.218 C=COCCOC1CC(CCC1C)C 34a_100011217446_100000039644 [0,1,0,1,0,0|2,0,0]=4 13452 B14R1.218 C=COCCOC1CC(CCC1C)C 7a_100011217446_100000039644 [0,1,0,1,0,0|2,0,0]=4 13453 B14R1.218 CC1CCC(C(C1)OCCCC=O)C 7a_100011217446_200011292268 [0,1,0,1,0,0|2,0,0]=4 13454 B14R1.882 C=CCCCCCN1CCCCC1C 2230a_100000211376_100000700193 [0,1,0,1,0,0|2,0,0]=4 13455 B14R1.882 C=CCCCCCN1CCCCC1C 269982a_100000211376_100000700193 [0,1,0,1,0,0|2,0,0]=4 13456 B14R1.882 C=CCCCCCN1CCCCC1C 34a_100000211376_100000700193 [0,1,0,1,0,0|2,0,0]=4 13457 B14R1.882 C=CCCCCNC1CCCCC1C 2230a_100000211402_100011215482 [0,1,0,1,0,0|2,0,0]=4 13458 B14R1.882 C=CCCCCNC1CCCCC1C 269862a_100000703577_100000210921 [0,1,0,1,0,0|2,0,0]=4 13459 B14R1.882 C=CCCCCNC1CCCCC1C 270004a_100000703577_100000210921 [0,1,0,1,0,0|2,0,0]=4 13460 B14R1.882 C=CCCCCNC1CCCCC1C 34a_100000211402_100011215482 [0,1,0,1,0,0|2,0,0]=4 13461 B14R1.882 C=CCCCCOC1CCCCC1C 34a_100000211207_100011215482 [0,1,0,1,0,0|2,0,0]=4 13462 B14R1.882 C=CCCCCOC1CCCCC1C 7a_100000211207_100011215482 [0,1,0,1,0,0|2,0,0]=4 13463 B14R1.882 C=CCOCCCN1CCCCC1C 34a_100000213889_100015514636 [0,1,0,1,0,0|2,0,0]=4 13464 B14R1.882 C=CCOCCCN1CCCCC1C 7a_100000213889_100015514636 [0,1,0,1,0,0|2,0,0]=4 13465 B14R1.882 C=COCCCNC1CCCCC1C 269862a_100000210767_100000210921 [0,1,0,1,0,0|1,0,0]=3 13466 B14R1.882 C=COCCCNC1CCCCC1C 270004a_100000210767_100000210921 [0,1,0,1,0,0|1,0,0]=3 13467 B14R1.882 C=COCCCNC1CCCCC1F 34a_100000210767_100015423560 [0,1,0,1,0,0|2,0,0]=4 13468 B14R1.882 C=COCCCNC1CCCCC1O 34a_100000210767_100000038908 [0,1,0,1,0,0|2,0,0]=4 13469 B14R1.882 C=COCCCNC1CCNCC1C 270004a_100000210767_100000703950 [0,1,0,1,0,0|2,0,0]=4 13470 B14R1.882 C=COCCCNC1CCOCC1C 270004a_100000210767_100000755695 [0,1,0,1,0,0|2,0,0]=4 13471 B14R1.882 C=COCCNCC1CCCCC1O 34a_100011216029_100000039644 [0,1,0,1,0,0|2,0,0]=4 13472 B14R1.882 C=COCCNCC1CCCCN1C 34a_100011228421_100000039644 [0,1,0,1,0,0|2,0,0]=4 13473 B14R1.882 C=COCCOCC1CCCCN1C 34a_100000033082_100015186950 [0,1,0,1,0,0|2,0,0]=4 13474 B14R1.882 C=COCCOCC1CCCCN1C 34a_100000225079_100000039644 [0,1,0,1,0,0|2,0,0]=4 13475 B14R1.882 C=COCCSCC1CCCCN1C 62a_100000039644_100015185383 [0,1,0,1,0,0|2,0,0]=4 13476 B14R1.882 C=COCCSCC1CCCCN1C 62a_100015185383_100000039644 [0,1,0,1,0,0|2,0,0]=4 13477 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [0,1,0,1,0,0|1,0,0]=3 13478 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [0,1,0,1,0,0|1,0,0]=3 13479 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [0,1,0,1,0,0|1,0,0]=3 13480 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [0,1,0,1,0,0|1,0,0]=3 13481 B14R1.882 CC1CCCCN1CCCNCC=O 34a_100000212276_200009817547 [0,1,0,1,0,0|2,0,0]=4 13482 B14R1.882 CC1CCCCN1CCCOCC=O 34a_100000213889_200009817547 [0,1,0,1,0,0|1,0,0]=3 13483 B14R1.882 CC1CCCCN1CCCOCC=O 7a_100000213889_200015260668 [0,1,0,1,0,0|1,0,0]=3 13484 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [0,1,0,1,0,0|1,0,0]=3 13485 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [0,1,0,1,0,0|1,0,0]=3 13486 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [0,1,0,1,0,0|1,0,0]=3 13487 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,1,0,1,0,0|1,0,0]=3 13488 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,1,0,1,0,0|1,0,0]=3 13489 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,1,0,1,0,0|1,0,0]=3 13490 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [0,1,0,1,0,0|1,0,0]=3 13491 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [0,1,0,1,0,0|1,0,0]=3 13492 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [0,1,0,1,0,0|1,0,0]=3 13493 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [0,1,0,1,0,0|2,0,0]=4 13494 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [0,1,0,1,0,0|2,0,0]=4 13495 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [0,1,0,1,0,0|1,0,0]=3 13496 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [0,1,0,1,0,0|1,0,0]=3 13497 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [0,1,0,1,0,0|1,0,0]=3 13498 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [0,1,0,1,0,0|1,0,0]=3 13499 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [0,1,0,1,0,0|2,0,0]=4 13500 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [0,1,0,1,0,0|2,0,0]=4 13501 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [0,1,0,1,0,0|1,0,0]=3 13502 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [0,1,0,1,0,0|1,0,0]=3 13503 B14R1.882 CCCCNCCN1CCCCC1=O 2230a_100160573077_100000210211 [0,1,0,1,0,0|2,0,0]=4 13504 B14R1.882 CCCCNCCN1CCCCC1=O 34a_100160573077_100000210210 [0,1,0,1,0,0|2,0,0]=4 13505 B14R1.882 CCCCOCCC1NCCNC1=O 34a_100000044719_100000210210 [0,1,0,1,0,0|2,0,0]=4 13506 B14R1.882 CCCCOCNC1CCCNC1=O 2230a_100000747585_100011995733 [0,1,0,1,0,0|2,0,0]=4 13507 B14R1.882 CCCCOCNC1CCCNC1=O 34a_100000747585_100011995733 [0,1,0,1,0,0|2,0,0]=4 13508 B14R1.882 CCCCOCOC1CCCCC1=O 34a_100011214950_100011995733 [0,1,0,1,0,0|2,0,0]=4 13509 B14R1.882 CCCCOCOC1CCCNC1=O 34a_100000073722_100011995733 [0,1,0,1,0,0|2,0,0]=4 13510 B14R1.882 CCCCOCSC1CCCCC1=O 62a_100000204591_100011995733 [0,1,0,1,0,0|2,0,0]=4 13511 B14R1.882 CCCCOCSC1CCCCC1=O 62a_100011995733_100000204591 [0,1,0,1,0,0|2,0,0]=4 13512 B14R1.882 CCCCOCSC1CCCNC1=O 62a_100000687798_100011995733 [0,1,0,1,0,0|2,0,0]=4 13513 B14R1.882 CCCCOCSC1CCCNC1=O 62a_100011995733_100000687798 [0,1,0,1,0,0|2,0,0]=4 13514 B14R1.882 CCCOCCNC1CCCCC1=O 34a_100161115042_100000754470 [0,1,0,1,0,0|2,0,0]=4 13515 B14R1.882 CCCOCCNC1CCCNC1=O 2230a_100000747585_100011215938 [0,1,0,1,0,0|2,0,0]=4 13516 B14R1.882 CCCOCCNC1CCCNC1=O 2230a_100161115042_100000687798 [0,1,0,1,0,0|2,0,0]=4 13517 B14R1.882 CCCOCCNC1CCCNC1=O 34a_100000747585_100011215938 [0,1,0,1,0,0|2,0,0]=4 13518 B14R1.882 CCCOCCNC1CCCNC1=O 34a_100161115042_100000687798 [0,1,0,1,0,0|2,0,0]=4 13519 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100000752267_100000754470 [0,1,0,1,0,0|2,0,0]=4 13520 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100011214950_100011215938 [0,1,0,1,0,0|2,0,0]=4 13521 B14R1.882 CCCOCCOC1CCCCC1=O 7a_100000752267_100000204591 [0,1,0,1,0,0|2,0,0]=4 13522 B14R1.882 CCCOCCOC1CCCNC1=O 34a_100000073722_100011215938 [0,1,0,1,0,0|2,0,0]=4 13523 B14R1.882 CCCOCCOC1CCCNC1=O 34a_100000752267_100000687798 [0,1,0,1,0,0|2,0,0]=4 13524 B14R1.882 CCCOCCOC1CCCNC1=O 7a_100000752267_100000687798 [0,1,0,1,0,0|2,0,0]=4 13525 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100000204591_100011215938 [0,1,0,1,0,0|2,0,0]=4 13526 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100011215938_100000204591 [0,1,0,1,0,0|2,0,0]=4 13527 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100000687798_100011215938 [0,1,0,1,0,0|2,0,0]=4 13528 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100011215938_100000687798 [0,1,0,1,0,0|2,0,0]=4 13529 B14R1.882 CCCSCCNC1CCCNC1=O 2230a_100020603323_100000687798 [0,1,0,1,0,0|2,0,0]=4 13530 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [0,1,0,1,0,0|2,0,0]=4 13531 B14R1.882 CCCSCCOC1CCCCC1=O 7a_200000230433_100000204591 [0,1,0,1,0,0|2,0,0]=4 13532 B14R1.882 CCCSCCOC1CCCNC1=O 34a_200000230433_100000687798 [0,1,0,1,0,0|2,0,0]=4 13533 B14R1.882 CCCSCCOC1CCCNC1=O 7a_200000230433_100000687798 [0,1,0,1,0,0|2,0,0]=4 13534 B14R1.882 CCOCCCNC1CCCCC1=O 34a_100000210961_100000754470 [0,1,0,1,0,0|2,0,0]=4 13535 B14R1.882 CCOCCCNC1CCCCC1C 2230a_100000211402_100012232248 [0,1,0,1,0,0|1,0,1]=4 13536 B14R1.882 CCOCCCNC1CCCCC1C 269862a_100000210961_100000210921 [0,1,0,1,0,0|1,0,1]=4 13537 B14R1.882 CCOCCCNC1CCCCC1C 270004a_100000210961_100000210921 [0,1,0,1,0,0|1,0,1]=4 13538 B14R1.882 CCOCCCNC1CCCCC1C 34a_100000211402_100012232248 [0,1,0,1,0,0|1,0,1]=4 13539 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000210961_100000687798 [0,1,0,1,0,0|2,0,0]=4 13540 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000747585_100012232248 [0,1,0,1,0,0|2,0,0]=4 13541 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000210961_100000687798 [0,1,0,1,0,0|2,0,0]=4 13542 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000747585_100012232248 [0,1,0,1,0,0|2,0,0]=4 13543 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100000757476_100000754470 [0,1,0,1,0,0|2,0,0]=4 13544 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100011214950_100012232248 [0,1,0,1,0,0|2,0,0]=4 13545 B14R1.882 CCOCCCOC1CCCCC1=O 7a_100000757476_100000204591 [0,1,0,1,0,0|2,0,0]=4 13546 B14R1.882 CCOCCCOC1CCCCC1C 34a_100000211207_100012232248 [0,1,0,1,0,0|1,0,1]=4 13547 B14R1.882 CCOCCCOC1CCCCC1C 7a_100000211207_100012232248 [0,1,0,1,0,0|1,0,1]=4 13548 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000073722_100012232248 [0,1,0,1,0,0|2,0,0]=4 13549 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000757476_100000687798 [0,1,0,1,0,0|2,0,0]=4 13550 B14R1.882 CCOCCCOC1CCCNC1=O 7a_100000757476_100000687798 [0,1,0,1,0,0|2,0,0]=4 13551 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100000204591_100012232248 [0,1,0,1,0,0|2,0,0]=4 13552 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100012232248_100000204591 [0,1,0,1,0,0|2,0,0]=4 13553 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100000687798_100012232248 [0,1,0,1,0,0|2,0,0]=4 13554 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100012232248_100000687798 [0,1,0,1,0,0|2,0,0]=4 13555 B14R1.882 CCOCCOCC1CCCCC1=O 34a_100009861125_100000210147 [0,1,0,1,0,0|2,0,0]=4 13556 B14R1.882 CCOCCOCC1CCCCC1=O 7a_100009861125_100011215890 [0,1,0,1,0,0|2,0,0]=4 13557 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [0,1,0,1,0,0|2,0,0]=4 13558 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [0,1,0,1,0,0|2,0,0]=4 13559 B14R1.882 CCSCCCOC1CCCNC1=O 34a_100011216438_100000687798 [0,1,0,1,0,0|2,0,0]=4 13560 B14R1.882 CCSCCCOC1CCCNC1=O 7a_100011216438_100000687798 [0,1,0,1,0,0|2,0,0]=4 13561 B14R1.882 CCSCCOCC1CCCCC1=O 34a_100009861125_100000757381 [0,1,0,1,0,0|2,0,0]=4 13562 B14R1.882 CCSCCOCC1CCCCC1=O 7a_100009861125_100000757381 [0,1,0,1,0,0|2,0,0]=4 13563 B14R1.882 CN1CCCCC1CSCCCC=O 62a_100015185383_200011292268 [0,1,0,1,0,0|2,0,0]=4 13564 B14R1.882 CN1CCCCC1CSCCCC=O 62a_200011292268_100015185383 [0,1,0,1,0,0|2,0,0]=4 13565 B14R1.882 COCCCCNC1CCCNC1=O 2230a_100000747585_100000730899 [0,1,0,1,0,0|2,0,0]=4 13566 B14R1.882 COCCCCNC1CCCNC1=O 34a_100000747585_100000755781 [0,1,0,1,0,0|2,0,0]=4 13567 B14R1.882 COCCCCOC1CCCCC1=O 34a_100000740925_100000754470 [0,1,0,1,0,0|2,0,0]=4 13568 B14R1.882 COCCCCOC1CCCCC1=O 34a_100011214950_100000755781 [0,1,0,1,0,0|2,0,0]=4 13569 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000073722_100000755781 [0,1,0,1,0,0|2,0,0]=4 13570 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000740925_100000687798 [0,1,0,1,0,0|2,0,0]=4 13571 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000204591_100000730899 [0,1,0,1,0,0|2,0,0]=4 13572 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000730899_100000204591 [0,1,0,1,0,0|2,0,0]=4 13573 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000687798_100000730899 [0,1,0,1,0,0|2,0,0]=4 13574 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000730899_100000687798 [0,1,0,1,0,0|2,0,0]=4 13575 B14R1.882 COCCCOCC1CCCCC1=O 34a_100009861125_100000740836 [0,1,0,1,0,0|2,0,0]=4 13576 B14R1.882 COCCCOCC1CCCCC1=O 7a_100009861125_100000740836 [0,1,0,1,0,0|2,0,0]=4 13577 B14R1.882 CSCCCCOC1CCCCC1=O 34a_100011217163_100000754470 [0,1,0,1,0,0|2,0,0]=4 13578 B14R1.882 CSCCCCOC1CCCCC1=O 7a_100011217163_100000204591 [0,1,0,1,0,0|2,0,0]=4 13579 B14R1.882 CSCCCCOC1CCCNC1=O 34a_100011217163_100000687798 [0,1,0,1,0,0|2,0,0]=4 13580 B14R1.882 CSCCCCOC1CCCNC1=O 7a_100011217163_100000687798 [0,1,0,1,0,0|2,0,0]=4 13581 B14R1.882 C[C@H]1COCCN1CCCCCC=O 2230a_100009815349_100000139337 [0,1,0,1,0,0|2,0,0]=4 13582 B14R1.882 C[C@H]1COCCN1CCCCCC=O 269982a_100009815349_100000139337 [0,1,0,1,0,0|2,0,0]=4 13583 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [0,1,0,1,0,0|2,0,0]=4 13584 B14R1.882 NCCCCCOC1CCCNC1=O 34a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 13585 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [0,1,0,1,0,0|2,0,0]=4 13586 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [0,1,0,1,0,0|2,0,0]=4 13587 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [0,1,0,1,0,0|2,0,0]=4 13588 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [0,1,0,1,0,0|2,0,0]=4 13589 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [0,1,0,1,0,0|2,0,0]=4 13590 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [0,1,0,1,0,0|2,0,0]=4 13591 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [0,1,0,1,0,0|2,0,0]=4 13592 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [0,1,0,1,0,0|2,0,0]=4 13593 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [0,1,0,1,0,0|2,0,0]=4 13594 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [0,1,0,1,0,0|2,0,0]=4 13595 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [0,1,0,1,0,0|2,0,0]=4 13596 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [0,1,0,1,0,0|2,0,0]=4 13597 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [0,1,0,1,0,0|2,0,0]=4 13598 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [0,1,0,1,0,0|2,0,0]=4 13599 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [0,1,0,1,0,0|2,0,0]=4 13600 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [0,1,0,1,0,0|2,0,0]=4 13601 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [0,1,0,1,0,0|2,0,0]=4 13602 B14R1.882 O=C1NCCCC1NCCCCCF 2230a_100000747585_100000729378 [0,1,0,1,0,0|2,0,0]=4 13603 B14R1.882 O=C1NCCCC1NCCCCCF 34a_100000747585_100000729378 [0,1,0,1,0,0|2,0,0]=4 13604 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000747585_100000746330 [0,1,0,1,0,0|2,0,0]=4 13605 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 13606 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000747585_100000746330 [0,1,0,1,0,0|2,0,0]=4 13607 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 13608 B14R1.882 O=C1NCCCC1OCCCCCBr 34a_100000746331_100000687798 [0,1,0,1,0,0|2,0,0]=4 13609 B14R1.882 O=C1NCCCC1OCCCCCBr 7a_100000746331_100000687798 [0,1,0,1,0,0|2,0,0]=4 13610 B14R1.882 O=C1NCCCC1OCCCCCCl 34a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 13611 B14R1.882 O=C1NCCCC1OCCCCCCl 7a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 13612 B14R1.882 O=C1NCCCC1OCCCCCF 34a_100000073722_100000729378 [0,1,0,1,0,0|2,0,0]=4 13613 B14R1.882 O=C1NCCCC1OCCCCCI 34a_200012148887_100000687798 [0,1,0,1,0,0|2,0,0]=4 13614 B14R1.882 O=C1NCCCC1OCCCCCI 7a_200012148887_100000687798 [0,1,0,1,0,0|2,0,0]=4 13615 B14R1.882 O=C1NCCCC1OCCCCCO 34a_100000073722_100000746330 [0,1,0,1,0,0|2,0,0]=4 13616 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000687798_100000729378 [0,1,0,1,0,0|2,0,0]=4 13617 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000729378_100000687798 [0,1,0,1,0,0|2,0,0]=4 13618 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000687798_100000746330 [0,1,0,1,0,0|2,0,0]=4 13619 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 13620 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [0,1,0,1,0,0|2,0,0]=4 13621 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [0,1,0,1,0,0|2,0,0]=4 13622 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [0,1,0,1,0,0|2,0,0]=4 13623 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [0,1,0,1,0,0|2,0,0]=4 13624 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [0,1,0,1,0,0|2,0,0]=4 13625 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [0,1,0,1,0,0|2,0,0]=4 13626 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [0,1,0,1,0,0|2,0,0]=4 13627 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,1,0,1,0,0|0,0,1]=3 13628 B14R1.916 CCCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210211 [0,1,0,1,0,0|1,0,1]=4 13629 B14R1.916 CCCCC(C)COC1CCCC1=O 34a_100011995851_100000709159 [0,1,0,1,0,0|2,0,0]=4 13630 B14R1.916 CCCCC(C)COC1CCCC1=O 7a_100011995851_100000211823 [0,1,0,1,0,0|2,0,0]=4 13631 B14R1.916 CCCCC(C)COC1CCOC1=O 34a_100011995851_100000211211 [0,1,0,1,0,0|1,0,0]=3 13632 B14R1.916 CCCCC(C)COC1CCOC1=O 7a_100011995851_100000211211 [0,1,0,1,0,0|1,0,0]=3 13633 B14R1.916 CCCCC(C)OCC1CCNC1=O 34a_100000133458_200011215066 [0,1,0,1,0,0|2,0,0]=4 13634 B14R1.916 CCCC[C@H](N)COC1CCCC1=O 34a_100011934283_100000709159 [0,1,0,1,0,0|2,0,0]=4 13635 B14R1.916 CCCC[C@H](N)COC1CCOC1=O 34a_100011934283_100000211211 [0,1,0,1,0,0|1,0,0]=3 13636 B14R1.916 CCCNC(=O)CCC1CCOC1=O 11a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 13637 B14R1.916 CCCNC(=O)CCC1CCOC1=O 1626a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 13638 B14R1.916 CCCNC(=O)CCC1CCOC1=O 240690a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 13639 B14R1.916 CCCNC(=O)CCC1CCOC1=O 527a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 13640 B14R1.916 CCCOC(C)CNC1CCOC1=O 2230a_100015185124_100000211211 [0,1,0,1,0,0|2,0,0]=4 13641 B14R1.916 CCCOC(C)CNC1CCOC1=O 34a_100015185124_100000211211 [0,1,0,1,0,0|2,0,0]=4 13642 B14R1.916 CCOCC(O)CNC1CCOC1=O 2230a_102515437182_100000211211 [0,1,0,1,0,0|2,0,0]=4 13643 B14R1.916 CCOCC(O)CNC1CCOC1=O 34a_102515437182_100000211211 [0,1,0,1,0,0|2,0,0]=4 13644 B14R1.916 COCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000233755 [0,1,0,1,0,0|1,0,1]=4 13645 B14R1.916 CSCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000751147 [0,1,0,1,0,0|1,0,1]=4 13646 B14R1.916 CSCC[C@H](N)COC1CCOC1=O 34a_100011827619_100000211211 [0,1,0,1,0,0|2,0,0]=4 13647 B14R1.916 C[C@H](CCCO)CNC1CCOC1=O 2230a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 13648 B14R1.916 C[C@H](CCCO)CNC1CCOC1=O 34a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 13649 B14R1.916 O=C(CCCF)CCC1CCOC1=O 1458a_100000117037_100011934791 [0,1,0,1,0,0|1,0,1]=4 13650 B14R1.916 O=C(CCCO)CCC1CCOC1=O 1458a_100000117037_100011215043 [0,1,0,1,0,0|1,0,1]=4 13651 B14R1.935 CCCCC(C)NCCC1CCC1=O 2230a_100000126638_200016118888 [0,1,0,1,0,0|2,0,0]=4 13652 B14R1.935 CCCCC(C)OCCC1CCC1=O 7a_100000687866_200016118888 [0,1,0,1,0,0|2,0,0]=4 13653 B14R1.935 CCCCC(C)SCCC1CCC1=O 62a_200011215066_200016118888 [0,1,0,1,0,0|2,0,0]=4 13654 B14R1.935 CCCCC(C)SCCC1CCC1=O 62a_200016118888_200011215066 [0,1,0,1,0,0|2,0,0]=4 13655 B14R1.938 CCCCC(=O)C1CCCCCC1=O 1458a_100000210183_100000243696 [0,1,0,1,0,0|1,0,1]=4 13656 B14R1.938 CCCCC(=O)C1CCCCNC1=O 1458a_100000210183_100000735217 [0,1,0,1,0,0|1,0,1]=4 13657 B14R1.938 CCCCN(C)C1CCCCCC1=O 269982a_100000207549_100000243696 [0,1,0,1,0,0|2,0,0]=4 13658 B14R1.938 CCCCN(C)C1CCCCNC1=O 2230a_100000207549_100000735217 [0,1,0,1,0,0|2,0,0]=4 13659 B14R1.938 CCCCN(C)C1CCCCNC1=O 269982a_100000207549_100000735217 [0,1,0,1,0,0|2,0,0]=4 13660 B14R1.946 CCCCC(C)NC1CCCNC1=O 2230a_100000126638_100000687798 [0,1,0,1,0,0|2,0,0]=4 13661 B14R1.946 CCCCC(C)NC1CCCNC1=O 2230a_100000747585_200011215066 [0,1,0,1,0,0|2,0,0]=4 13662 B14R1.946 CCCCC(C)NC1CCCNC1=O 270004a_100000747585_100000210087 [0,1,0,1,0,0|2,0,0]=4 13663 B14R1.946 CCCCC(C)NC1CCCNC1=O 34a_100000747585_200011215066 [0,1,0,1,0,0|2,0,0]=4 13664 B14R1.946 CCCCC(C)OC1CCCCC1=O 34a_100000687866_100000754470 [0,1,0,1,0,0|2,0,0]=4 13665 B14R1.946 CCCCC(C)OC1CCCCC1=O 34a_100011214950_200011215066 [0,1,0,1,0,0|2,0,0]=4 13666 B14R1.946 CCCCC(C)OC1CCCCC1=O 7a_100000687866_100000204591 [0,1,0,1,0,0|2,0,0]=4 13667 B14R1.946 CCCCC(C)OC1CCCNC1=O 34a_100000073722_200011215066 [0,1,0,1,0,0|2,0,0]=4 13668 B14R1.946 CCCCC(C)OC1CCCNC1=O 34a_100000687866_100000687798 [0,1,0,1,0,0|2,0,0]=4 13669 B14R1.946 CCCCC(C)OC1CCCNC1=O 7a_100000687866_100000687798 [0,1,0,1,0,0|2,0,0]=4 13670 B14R1.946 CCCCC(C)SC1CCCCC1=O 62a_100000204591_200011215066 [0,1,0,1,0,0|2,0,0]=4 13671 B14R1.946 CCCCC(C)SC1CCCCC1=O 62a_200011215066_100000204591 [0,1,0,1,0,0|2,0,0]=4 13672 B14R1.946 CCCCC(C)SC1CCCNC1=O 62a_100000687798_200011215066 [0,1,0,1,0,0|2,0,0]=4 13673 B14R1.946 CCCCC(C)SC1CCCNC1=O 62a_200011215066_100000687798 [0,1,0,1,0,0|2,0,0]=4 13674 B14R1.1237 CC1CCC(N1CCCCCC=O)C 2230a_100000687148_100000139337 [0,1,0,1,0,0|2,0,0]=4 13675 B14R1.1237 CC1CCC(N1CCCCCC=O)C 269982a_100000687148_100000139337 [0,1,0,1,0,0|2,0,0]=4 13676 B14R1.1237 CCCCCCOC1C(=O)COC1=O 34a_100000210259_100000032967 [0,1,0,1,0,0|1,0,1]=4 13677 B14R1.1237 CCCCCCSC1C(=O)COC1=O 62a_100000210314_100000032967 [0,1,0,1,0,0|1,0,1]=4 13678 B14R1.3768 CC(NCCCCCC=O)C1CCC1 2230a_100016994624_100000139337 [0,1,0,1,0,0|2,0,0]=4 13679 B14R1.3768 CC(OCCCCCC=O)C1CCC1 7a_100000766398_100000139337 [0,1,0,1,0,0|2,0,0]=4 13680 B14R1.4731 C=COCCNCCC1(CCCC1)O 34a_100000719956_100000039644 [0,1,0,1,0,0|2,0,0]=4 13681 B14R1.4731 CC1(CCCC1)OCCCCCC=O 7a_100000751722_100000139337 [0,1,0,1,0,0|2,0,0]=4 13682 B14R1.4731 O=CCCCCNCC1(CCCC1)O 2230a_100000737848_100000139335 [0,1,0,1,0,0|2,0,0]=4 13683 B14R1.9 C=COCCNC1CCCC(C1C)C 2230a_100000211273_100000039644 [0,1,0,1,0,0|2,0,0]=4 13684 B14R1.9 C=COCCNC1CCCC(C1C)C 34a_100000211273_100000039644 [0,1,0,1,0,0|2,0,0]=4 13685 B14R1.9 C=COCCOC1CCCC(C1C)C 34a_100011217532_100000039644 [0,1,0,1,0,0|2,0,0]=4 13686 B14R1.9 C=COCCOC1CCCC(C1C)C 7a_100011217532_100000039644 [0,1,0,1,0,0|2,0,0]=4 13687 B14R1.9 CC1CCCC(C1C)NCCCC=O 2230a_100000211273_200011292268 [0,1,0,1,0,0|2,0,0]=4 13688 B14R1.9 CC1CCCC(C1C)OCCCC=O 7a_100011217532_200011292268 [0,1,0,1,0,0|2,0,0]=4 13689 B14R1.14 C=COCCCNC1CCC(CC1)C 270004a_100000210767_100000185489 [0,1,0,1,0,0|2,0,0]=4 13690 B14R1.14 C=COCCCNC1CCC(CC1)C 34a_100000210767_200011216234 [0,1,0,1,0,0|2,0,0]=4 13691 B14R1.14 C=COCCCNC1CCC(CC1)O 270004a_100000210767_100000764474 [0,1,0,1,0,0|2,0,0]=4 13692 B14R1.14 C=COCCNCC1CCC(CC1)C 2230a_103436935547_100000039644 [0,1,0,1,0,0|2,0,0]=4 13693 B14R1.14 C=COCCNCC1CCC(CC1)C 34a_103436935547_100000039644 [0,1,0,1,0,0|2,0,0]=4 13694 B14R1.14 C=COCCOCC1CCC(CC1)C 34a_100000701341_100000039644 [0,1,0,1,0,0|2,0,0]=4 13695 B14R1.14 C=COCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000039644 [0,1,0,1,0,0|2,0,0]=4 13696 B14R1.14 CC1CCC(CC1)CNCCCC=O 2230a_103436935547_200011292268 [0,1,0,1,0,0|2,0,0]=4 13697 B14R1.14 CC1CCC(CC1)OCCCCC=O 7a_100000210714_100000139335 [0,1,0,1,0,0|2,0,0]=4 13698 B14R1.14 CC1CCC(CC1)SCCCCC=O 62a_100000139335_200011216234 [0,1,0,1,0,0|2,0,0]=4 13699 B14R1.14 CC1CCN(CC1)CCCCCC=O 2230a_100000188429_100000139337 [0,1,0,1,0,0|2,0,0]=4 13700 B14R1.14 CC1CCN(CC1)CCCCCC=O 269982a_100000188429_100000139337 [0,1,0,1,0,0|2,0,0]=4 13701 B14R1.14 C[C@H]1CC[C@@H](CC1)NCCCCC=O 2230a_100020625639_100000139335 [0,1,0,1,0,0|2,0,0]=4 13702 B14R1.14 O=CCCCCCN1CCC(CC1)F 2230a_100015193889_100000139337 [0,1,0,1,0,0|2,0,0]=4 13703 B14R1.14 O=CCCCCCN1CCC(CC1)F 269982a_100015193889_100000139337 [0,1,0,1,0,0|2,0,0]=4 13704 B14R1.14 O=CCCCCCN1CCC(CC1)O 2230a_100025773856_100000139337 [0,1,0,1,0,0|2,0,0]=4 13705 B14R1.14 O=CCCCCCN1CCC(CC1)O 269982a_100025773856_100000139337 [0,1,0,1,0,0|2,0,0]=4 13706 B14R1.228 C=COCCOC1CCCC(C1)CC 7a_100011985506_100000039644 [0,1,0,1,0,0|2,0,0]=4 13707 B14R1.228 CCC1CCCC(C1)OCCCC=O 7a_100011985506_200011292268 [0,1,0,1,0,0|2,0,0]=4 13708 B14R1.229 C=CCCCCCCCN1CCC1C 269982a_100000755817_100012355270 [0,1,0,1,0,0|2,0,0]=4 13709 B14R1.229 C=CCCCCCCCN1CCC1C 34a_100000755817_100012355270 [0,1,0,1,0,0|2,0,0]=4 13710 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [0,1,0,1,0,0|1,0,0]=3 13711 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [0,1,0,1,0,0|1,0,0]=3 13712 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [0,1,0,1,0,0|1,0,0]=3 13713 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [0,1,0,1,0,0|1,0,0]=3 13714 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [0,1,0,1,0,0|1,0,0]=3 13715 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [0,1,0,1,0,0|1,0,0]=3 13716 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [0,1,0,1,0,0|1,0,0]=3 13717 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [0,1,0,1,0,0|1,0,0]=3 13718 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [0,1,0,1,0,0|1,0,0]=3 13719 B14R1.229 CCCCCNCCOC1CCC1=O 34a_100000224656_100009892977 [0,1,0,1,0,0|2,0,0]=4 13720 B14R1.229 CCCCCOCCOC1CCC1=O 34a_100011215259_100009892977 [0,1,0,1,0,0|2,0,0]=4 13721 B14R1.229 CCCCCOCCOC1CCC1=O 7a_100011215259_100009892977 [0,1,0,1,0,0|2,0,0]=4 13722 B14R1.229 CCCCOCCCNC1CCC1=O 34a_200000211371_100009892977 [0,1,0,1,0,0|2,0,0]=4 13723 B14R1.229 CCCCOCCCOC1CCC1=O 34a_200011215613_100009892977 [0,1,0,1,0,0|2,0,0]=4 13724 B14R1.229 CCCCOCCCOC1CCC1=O 7a_200011215613_100009892977 [0,1,0,1,0,0|2,0,0]=4 13725 B14R1.229 CCCCOCSCCC1CCC1=O 62a_100011995733_200016118888 [0,1,0,1,0,0|2,0,0]=4 13726 B14R1.229 CCCCOCSCCC1CCC1=O 62a_200016118888_100011995733 [0,1,0,1,0,0|2,0,0]=4 13727 B14R1.229 CCCOCCNCCC1CCC1=O 2230a_100161115042_200016118888 [0,1,0,1,0,0|2,0,0]=4 13728 B14R1.229 CCCOCCOCCC1CCC1=O 7a_100000752267_200016118888 [0,1,0,1,0,0|2,0,0]=4 13729 B14R1.229 CCCOCCSCCC1CCC1=O 62a_100011215938_200016118888 [0,1,0,1,0,0|2,0,0]=4 13730 B14R1.229 CCCOCCSCCC1CCC1=O 62a_200016118888_100011215938 [0,1,0,1,0,0|2,0,0]=4 13731 B14R1.229 CCCSCCNCCC1CCC1=O 2230a_100020603323_200016118888 [0,1,0,1,0,0|2,0,0]=4 13732 B14R1.229 CCCSCCOCCC1CCC1=O 7a_200000230433_200016118888 [0,1,0,1,0,0|2,0,0]=4 13733 B14R1.229 CCOCCCNCCC1CCC1=O 2230a_100000210961_200016118888 [0,1,0,1,0,0|2,0,0]=4 13734 B14R1.229 CCOCCCOCCC1CCC1=O 7a_100000757476_200016118888 [0,1,0,1,0,0|2,0,0]=4 13735 B14R1.229 CCOCCCSCCC1CCC1=O 62a_100012232248_200016118888 [0,1,0,1,0,0|2,0,0]=4 13736 B14R1.229 CCOCCCSCCC1CCC1=O 62a_200016118888_100012232248 [0,1,0,1,0,0|2,0,0]=4 13737 B14R1.229 CCSCCCOCCC1CCC1=O 7a_100011216438_200016118888 [0,1,0,1,0,0|2,0,0]=4 13738 B14R1.229 COCCCCCCOC1CCC1=O 34a_200012092642_100009892977 [0,1,0,1,0,0|2,0,0]=4 13739 B14R1.229 COCCCCCCOC1CCC1=O 7a_200012092642_100009892977 [0,1,0,1,0,0|2,0,0]=4 13740 B14R1.229 COCCCCCCSC1CCC1=O 62a_100009892977_100011998445 [0,1,0,1,0,0|2,0,0]=4 13741 B14R1.229 COCCCCCCSC1CCC1=O 62a_100011998445_100009892977 [0,1,0,1,0,0|2,0,0]=4 13742 B14R1.229 COCCCCSCCC1CCC1=O 62a_100000730899_200016118888 [0,1,0,1,0,0|2,0,0]=4 13743 B14R1.229 COCCCCSCCC1CCC1=O 62a_200016118888_100000730899 [0,1,0,1,0,0|2,0,0]=4 13744 B14R1.229 CSCCCCOCCC1CCC1=O 7a_100011217163_200016118888 [0,1,0,1,0,0|2,0,0]=4 13745 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [0,1,0,1,0,0|2,0,0]=4 13746 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [0,1,0,1,0,0|2,0,0]=4 13747 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [0,1,0,1,0,0|2,0,0]=4 13748 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [0,1,0,1,0,0|2,0,0]=4 13749 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [0,1,0,1,0,0|2,0,0]=4 13750 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [0,1,0,1,0,0|2,0,0]=4 13751 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [0,1,0,1,0,0|2,0,0]=4 13752 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [0,1,0,1,0,0|2,0,0]=4 13753 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [0,1,0,1,0,0|2,0,0]=4 13754 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [0,1,0,1,0,0|2,0,0]=4 13755 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [0,1,0,1,0,0|2,0,0]=4 13756 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [0,1,0,1,0,0|2,0,0]=4 13757 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [0,1,0,1,0,0|2,0,0]=4 13758 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [0,1,0,1,0,0|2,0,0]=4 13759 B14R1.709 CCC(C)CNC1CCCCNC1=O 2230a_100000698827_100000748023 [0,1,0,1,0,0|2,0,0]=4 13760 B14R1.709 CCC(C)CNC1CCCCNC1=O 2230a_100020588543_100000735217 [0,1,0,1,0,0|2,0,0]=4 13761 B14R1.709 CCC(C)CNC1CCCCNC1=O 270004a_100000698827_100000243153 [0,1,0,1,0,0|2,0,0]=4 13762 B14R1.709 CCC(C)CNC1CCCCNC1=O 34a_100000698827_100000748023 [0,1,0,1,0,0|2,0,0]=4 13763 B14R1.709 CCC(C)CSC1CCCCCC1=O 62a_100000243696_100000748023 [0,1,0,1,0,0|2,0,0]=4 13764 B14R1.709 CCC(C)CSC1CCCCCC1=O 62a_100000748023_100000243696 [0,1,0,1,0,0|2,0,0]=4 13765 B14R1.709 CCC(C)CSC1CCCCNC1=O 62a_100000735217_100000748023 [0,1,0,1,0,0|2,0,0]=4 13766 B14R1.709 CCC(C)CSC1CCCCNC1=O 62a_100000748023_100000735217 [0,1,0,1,0,0|2,0,0]=4 13767 B14R1.709 CCC(O)CNC1CCCCNC1=O 2230a_100000698827_100011218378 [0,1,0,1,0,0|2,0,0]=4 13768 B14R1.709 CCC(O)CNC1CCCCNC1=O 2230a_100011218483_100000735217 [0,1,0,1,0,0|2,0,0]=4 13769 B14R1.709 CCC(O)CNC1CCCCNC1=O 34a_100000698827_100011218378 [0,1,0,1,0,0|2,0,0]=4 13770 B14R1.709 CCC(O)CSC1CCCCCC1=O 62a_100000243696_100011218378 [0,1,0,1,0,0|2,0,0]=4 13771 B14R1.709 CCC(O)CSC1CCCCCC1=O 62a_100011218378_100000243696 [0,1,0,1,0,0|2,0,0]=4 13772 B14R1.709 CCC(O)CSC1CCCCNC1=O 62a_100000735217_100011218378 [0,1,0,1,0,0|2,0,0]=4 13773 B14R1.709 CCC(O)CSC1CCCCNC1=O 62a_100011218378_100000735217 [0,1,0,1,0,0|2,0,0]=4 13774 B14R1.709 CC[C@H](C)CNC1CCCCNC1=O 2230a_100000698827_100009816398 [0,1,0,1,0,0|2,0,0]=4 13775 B14R1.709 CC[C@H](C)CNC1CCCCNC1=O 34a_100000698827_100009816398 [0,1,0,1,0,0|2,0,0]=4 13776 B14R1.709 CC[C@H](C)COC1CCCCCC1=O 7a_100009816381_100000243696 [0,1,0,1,0,0|2,0,0]=4 13777 B14R1.709 CC[C@H](C)COC1CCCCNC1=O 7a_100009816381_100000735217 [0,1,0,1,0,0|2,0,0]=4 13778 B14R1.709 CC[C@H](C)CSC1CCCCCC1=O 62a_100000243696_100009816398 [0,1,0,1,0,0|2,0,0]=4 13779 B14R1.709 CC[C@H](C)CSC1CCCCCC1=O 62a_100009816398_100000243696 [0,1,0,1,0,0|2,0,0]=4 13780 B14R1.709 CC[C@H](C)CSC1CCCCNC1=O 62a_100000735217_100009816398 [0,1,0,1,0,0|2,0,0]=4 13781 B14R1.709 CC[C@H](C)CSC1CCCCNC1=O 62a_100009816398_100000735217 [0,1,0,1,0,0|2,0,0]=4 13782 B14R1.819 CCC(C)CCCOC1CCCC1=O 7a_100011216074_100000211823 [0,1,0,1,0,0|2,0,0]=4 13783 B14R1.819 CCC(C)CCCOC1CCOC1=O 7a_100011216074_100000211211 [0,1,0,1,0,0|1,0,0]=3 13784 B14R1.819 CCN(C)CCCSC1CCOC1=O 62a_100000211211_100015186262 [0,1,0,1,0,0|2,0,0]=4 13785 B14R1.819 C[C@@H](CN)CCCOC1CCOC1=O 34a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 13786 B14R1.831 CCC(C)CCNCCC1CCC1=O 2230a_100020591266_200016118888 [0,1,0,1,0,0|2,0,0]=4 13787 B14R1.831 CCC(C)CCOCCC1CCC1=O 7a_100011215188_200016118888 [0,1,0,1,0,0|2,0,0]=4 13788 B14R1.837 CCC(C)CCNC1CCCNC1=O 2230a_100020591266_100000687798 [0,1,0,1,0,0|2,0,0]=4 13789 B14R1.837 CCC(C)CCOC1CCCCC1=O 7a_100011215188_100000204591 [0,1,0,1,0,0|2,0,0]=4 13790 B14R1.837 CCC(C)CCOC1CCCNC1=O 7a_100011215188_100000687798 [0,1,0,1,0,0|2,0,0]=4 13791 B14R1.837 CCC(C)COCC1CCCCC1=O 34a_100009861125_100000748023 [0,1,0,1,0,0|2,0,0]=4 13792 B14R1.837 CCC(C)COCC1CCCCC1=O 7a_100009861125_100000748023 [0,1,0,1,0,0|2,0,0]=4 13793 B14R1.837 CCC(O)COCC1CCCCC1=O 34a_100009861125_100011218378 [0,1,0,1,0,0|2,0,0]=4 13794 B14R1.837 CCC(O)COCC1CCCCC1=O 7a_100009861125_100011218378 [0,1,0,1,0,0|2,0,0]=4 13795 B14R1.837 CC[C@H](C)COCC1CCCCC1=O 34a_100009861125_100009816398 [0,1,0,1,0,0|2,0,0]=4 13796 B14R1.837 CC[C@H](C)COCC1CCCCC1=O 7a_100009861125_100009816398 [0,1,0,1,0,0|2,0,0]=4 13797 B14R1.891 C=CCCCCCCCCN1CCC1 269982a_100000754969_100011933949 [0,1,0,1,0,0|2,0,0]=4 13798 B14R1.891 C=CCCCCCCCNC1CCC1 2230a_100000749019_100012355270 [0,1,0,1,0,0|2,0,0]=4 13799 B14R1.891 C=CCCCCCCCNC1CCC1 34a_100000749019_100012355270 [0,1,0,1,0,0|2,0,0]=4 13800 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000730831_100000749161 [0,1,0,1,0,0|2,0,0]=4 13801 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000748187_100012355270 [0,1,0,1,0,0|2,0,0]=4 13802 B14R1.891 C=CCCCCCCCSC1CCC1 62a_100012355270_100000749161 [0,1,0,1,0,0|2,0,0]=4 13803 B14R1.891 C=CCCCCCCNCC1CCC1 2230a_100000738700_100011215473 [0,1,0,1,0,0|2,0,0]=4 13804 B14R1.891 C=CCCCCCCNCC1CCC1 34a_100000738700_100011215473 [0,1,0,1,0,0|2,0,0]=4 13805 B14R1.891 C=CCCCCCCOCC1CCC1 34a_100000760304_100011215473 [0,1,0,1,0,0|2,0,0]=4 13806 B14R1.891 C=CCCCCCCOCC1CCC1 34a_200011216477_100000763275 [0,1,0,1,0,0|2,0,0]=4 13807 B14R1.891 C=CCCCCCCOCC1CCC1 7a_200011216477_100000763275 [0,1,0,1,0,0|2,0,0]=4 13808 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100000763275_100011215473 [0,1,0,1,0,0|2,0,0]=4 13809 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100011215473_100000763275 [0,1,0,1,0,0|2,0,0]=4 13810 B14R1.891 C=COCCOCCOCC1CCC1 34a_100000039918_100000763275 [0,1,0,1,0,0|2,0,0]=4 13811 B14R1.891 C=COCCOCCOCC1CCC1 7a_100000039918_100000763275 [0,1,0,1,0,0|2,0,0]=4 13812 B14R1.891 CCCCCCCCNCC1CCO1 2230a_100000229939_100000103362 [0,1,0,1,0,0|1,0,1]=4 13813 B14R1.891 CCCCCCCCNCC1CCO1 34a_100000229939_100000103362 [0,1,0,1,0,0|1,0,1]=4 13814 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210759 [0,1,0,1,0,0|1,0,1]=4 13815 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210759 [0,1,0,1,0,0|1,0,1]=4 13816 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000039022_100000210759 [0,1,0,1,0,0|1,0,1]=4 13817 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000210232_100000103362 [0,1,0,1,0,0|1,0,1]=4 13818 B14R1.891 CCCCCCCCOCC1CCO1 7a_100000210232_100000103362 [0,1,0,1,0,0|1,0,1]=4 13819 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000103362_100000210317 [0,1,0,1,0,0|1,0,1]=4 13820 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000210759_100000103362 [0,1,0,1,0,0|1,0,1]=4 13821 B14R1.2390 CCCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210211 [0,1,0,1,0,0|2,0,0]=4 13822 B14R1.2390 CCCCNC1CCCCN(C1=O)C 34a_100159325733_100000210210 [0,1,0,1,0,0|2,0,0]=4 13823 B14R1.3452 CCCCCCNC1CCN(C1=O)C 2230a_100000210581_100000755940 [0,1,0,1,0,0|2,0,0]=4 13824 B14R1.3452 CCCCCCOC1CCN(C1=O)C 34a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 13825 B14R1.3452 CCCCCCOC1CCN(C1=O)C 7a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 13826 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000210314_100000755940 [0,1,0,1,0,0|2,0,0]=4 13827 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210757 [0,1,0,1,0,0|2,0,0]=4 13828 B14R1.3452 CCCCCOCC1CCN(C1=O)C 34a_100009823153_100000718602 [0,1,0,1,0,0|2,0,0]=4 13829 B14R1.3454 C=COCCCNC1CCC(C1)CC 270004a_100000210767_100011218773 [0,1,0,1,0,0|2,0,0]=4 13830 B14R1.38 C=COCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000039644 [0,1,0,1,0,0|2,0,0]=4 13831 B14R1.38 C=COCCN[C@H](C)C1CCCCC1 34a_100025707633_100000039644 [0,1,0,1,0,0|2,0,0]=4 13832 B14R1.38 C=COCCOC(C)C1CCCCC1 34a_100011216961_100000039644 [0,1,0,1,0,0|2,0,0]=4 13833 B14R1.38 C=COCCOC(C)C1CCCCC1 7a_100011216961_100000039644 [0,1,0,1,0,0|2,0,0]=4 13834 B14R1.38 CC(OCCCC=O)C1CCCCC1 7a_100011216961_200011292268 [0,1,0,1,0,0|2,0,0]=4 13835 B14R1.38 CN(CCCCC=O)C1CCCCC1 2230a_100000207522_100000139335 [0,1,0,1,0,0|2,0,0]=4 13836 B14R1.38 CN(CCCCC=O)C1CCCCC1 269982a_100000207522_100000139335 [0,1,0,1,0,0|2,0,0]=4 13837 B14R1.38 C[C@@H](NCCCC=O)C1CCCCC1 2230a_100025707633_200011292268 [0,1,0,1,0,0|2,0,0]=4 13838 B14R1.38 NC(CCOCC=O)C1CCCCC1 34a_200020622111_200009817547 [0,1,0,1,0,0|2,0,0]=4 13839 B14R1.1254 C/C=C/COCC1CCCCCCC1 34a_100011216312_100102629194 [0,1,0,1,0,0|2,0,0]=4 13840 B14R1.1254 C/C=C/COCC1CCCCCCC1 7a_100011216312_100102629194 [0,1,0,1,0,0|2,0,0]=4 13841 B14R1.1254 C=CCCCCN1CCCCCCC1 2230a_100000211400_100011215482 [0,1,0,1,0,0|2,0,0]=4 13842 B14R1.1254 C=CCCCCN1CCCCCCC1 269982a_100000211400_100011215482 [0,1,0,1,0,0|2,0,0]=4 13843 B14R1.1254 C=CCCCCN1CCCCCCC1 34a_100000211400_100011215482 [0,1,0,1,0,0|2,0,0]=4 13844 B14R1.1254 C=CCCCNC1CCCCCCC1 2230a_100000211152_100011713584 [0,1,0,1,0,0|2,0,0]=4 13845 B14R1.1254 C=CCCCNC1CCCCCCC1 270004a_100000700776_100000210524 [0,1,0,1,0,0|2,0,0]=4 13846 B14R1.1254 C=CCCCNC1CCCCCCC1 34a_100000211152_100000757094 [0,1,0,1,0,0|2,0,0]=4 13847 B14R1.1254 C=CCCCOC1CCCCCCC1 34a_100000210054_100000757094 [0,1,0,1,0,0|2,0,0]=4 13848 B14R1.1254 C=CCCCOC1CCCCCCC1 7a_100000210054_100000757094 [0,1,0,1,0,0|2,0,0]=4 13849 B14R1.1254 C=CCCOCC1CCCCCCC1 34a_100011216312_100000754431 [0,1,0,1,0,0|2,0,0]=4 13850 B14R1.1254 C=CCCOCC1CCCCCCC1 7a_100011216312_100000754431 [0,1,0,1,0,0|2,0,0]=4 13851 B14R1.1254 C=CCNCCC1CCCCCCC1 2230a_100011532352_100000210623 [0,1,0,1,0,0|2,0,0]=4 13852 B14R1.1254 C=CCNCCC1CCCCCCC1 34a_100011532352_100015514636 [0,1,0,1,0,0|2,0,0]=4 13853 B14R1.1254 C=COCCNC1CCCCCCC1 2230a_100000211152_100000039644 [0,1,0,1,0,0|1,0,0]=3 13854 B14R1.1254 C=COCCNC1CCCCCCC1 34a_100000211152_100000039644 [0,1,0,1,0,0|1,0,0]=3 13855 B14R1.1254 C=COCCOC1CCCCCCC1 34a_100000210054_100000039644 [0,1,0,1,0,0|1,0,0]=3 13856 B14R1.1254 C=COCCOC1CCCCCCC1 7a_100000210054_100000039644 [0,1,0,1,0,0|1,0,0]=3 13857 B14R1.1254 CC=CCOCC1CCCCCCC1 34a_100011216312_100000070051 [0,1,0,1,0,0|2,0,0]=4 13858 B14R1.1254 CC=CCOCC1CCCCCCC1 7a_100011216312_100000070051 [0,1,0,1,0,0|2,0,0]=4 13859 B14R1.1254 CCCCCOC1C=CCCCCC1 34a_100000688657_100000718602 [0,1,0,1,0,0|2,0,0]=4 13860 B14R1.1254 CCOCCCN1CCCCCCC1 2230a_100000211400_100012232248 [0,1,0,1,0,0|1,0,1]=4 13861 B14R1.1254 CCOCCCN1CCCCCCC1 269982a_100000211400_100012232248 [0,1,0,1,0,0|1,0,1]=4 13862 B14R1.1254 CCOCCCN1CCCCCCC1 34a_100000211400_100012232248 [0,1,0,1,0,0|1,0,1]=4 13863 B14R1.1254 CCOCCNC1CCCCCCC1 2230a_100000211152_100011215890 [0,1,0,1,0,0|1,0,1]=4 13864 B14R1.1254 CCOCCNC1CCCCCCC1 270004a_102516460346_100000210524 [0,1,0,1,0,0|1,0,1]=4 13865 B14R1.1254 CCOCCNC1CCCCCCC1 34a_100000211152_100000210147 [0,1,0,1,0,0|1,0,1]=4 13866 B14R1.1254 CCOCCOC1CCCCCCC1 34a_100000210054_100000210147 [0,1,0,1,0,0|1,0,1]=4 13867 B14R1.1254 CCOCCOC1CCCCCCC1 7a_100000210054_100011215890 [0,1,0,1,0,0|1,0,1]=4 13868 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [0,1,0,1,0,0|1,0,0]=3 13869 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [0,1,0,1,0,0|1,0,0]=3 13870 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [0,1,0,1,0,0|1,0,0]=3 13871 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [0,1,0,1,0,0|1,0,0]=3 13872 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [0,1,0,1,0,0|1,0,0]=3 13873 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [0,1,0,1,0,0|1,0,0]=3 13874 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,1,0,1,0,0|1,0,1]=4 13875 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|0,0,1]=3 13876 B14R1.3360 CCCCCCN(C)C1CCCC1=O 2230a_106256046315_100000211823 [0,1,0,1,0,0|2,0,0]=4 13877 B14R1.3360 CCCCCCN(C)C1CCCC1=O 269982a_106256046315_100000211823 [0,1,0,1,0,0|2,0,0]=4 13878 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,1,0,0|1,0,0]=3 13879 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,1,0,0|1,0,0]=3 13880 B14R1.3360 CCCCOCC(=O)C1CCOC1=O 1458a_100000757543_100000211211 [0,1,0,1,0,0|1,0,1]=4 13881 B14R1.3360 CCCCSCC(=O)C1CCOC1=O 1458a_100000191162_100000211211 [0,1,0,1,0,0|1,0,1]=4 13882 B14R1.3360 CN(CCCCCO)C1CCOC1=O 2230a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 13883 B14R1.3360 CN(CCCCCO)C1CCOC1=O 269982a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 13884 B14R1.3360 O=C(CCCCCO)C1CCOC1=O 1458a_100102619762_100000211211 [0,1,0,1,0,0|1,0,1]=4 13885 B14R1.3686 CCCCCCC(C)NC1CCC1=O 34a_100000210919_100009892977 [0,1,0,1,0,0|2,0,0]=4 13886 B14R1.3686 CCCCCCC(C)OC1CCC1=O 34a_100000210265_100009892977 [0,1,0,1,0,0|2,0,0]=4 13887 B14R1.3686 CCCCCCC(C)OC1CCC1=O 7a_100000210265_100009892977 [0,1,0,1,0,0|2,0,0]=4 13888 B14R1.3686 CCCCCCC(C)SC1CCC1=O 62a_100009892977_100011215978 [0,1,0,1,0,0|2,0,0]=4 13889 B14R1.3686 CCCCCCC(C)SC1CCC1=O 62a_100011215978_100009892977 [0,1,0,1,0,0|2,0,0]=4 13890 B14R1.4760 C=COCCNC1(CCCCCC1)C 2230a_100000704638_100000039644 [0,1,0,1,0,0|2,0,0]=4 13891 B14R1.4760 C=COCCNC1(CCCCCC1)C 34a_100000704638_100000039644 [0,1,0,1,0,0|2,0,0]=4 13892 B14R1.4760 C=COCCOC1(CCCCCC1)C 34a_100000708895_100000039644 [0,1,0,1,0,0|2,0,0]=4 13893 B14R1.4760 C=COCCOC1(CCCCCC1)C 7a_100000708895_100000039644 [0,1,0,1,0,0|2,0,0]=4 13894 B14R1.4760 CC1(CCCCCC1)NCCCC=O 2230a_100000704638_200011292268 [0,1,0,1,0,0|2,0,0]=4 13895 B14R1.4760 CC1(CCCCCC1)OCCCC=O 7a_100000708895_200011292268 [0,1,0,1,0,0|2,0,0]=4 13896 B14R1.62 C=CCCCCCN1CCCC1CC 2230a_100000754278_100000700193 [0,1,0,1,0,0|2,0,0]=4 13897 B14R1.62 C=CCCCCCN1CCCC1CC 269982a_100000754278_100000700193 [0,1,0,1,0,0|2,0,0]=4 13898 B14R1.62 C=CCCCCCN1CCCC1CC 34a_100000754278_100000700193 [0,1,0,1,0,0|2,0,0]=4 13899 B14R1.62 C=CCCCCNC1CCCC1CC 269862a_100000703577_100000749056 [0,1,0,1,0,0|2,0,0]=4 13900 B14R1.62 C=CCCCCNC1CCCC1CC 270004a_100000703577_100000749056 [0,1,0,1,0,0|2,0,0]=4 13901 B14R1.62 C=COCCCNC1CCCC1CC 269862a_100000210767_100000749056 [0,1,0,1,0,0|1,0,0]=3 13902 B14R1.62 C=COCCCNC1CCCC1CC 270004a_100000210767_100000749056 [0,1,0,1,0,0|1,0,0]=3 13903 B14R1.62 C=COCCNCC1CCCN1CC 2230a_100000211693_100000039644 [0,1,0,1,0,0|2,0,0]=4 13904 B14R1.62 C=COCCOC[C@H]1CCCN1CC 34a_100011739246_100000039644 [0,1,0,1,0,0|2,0,0]=4 13905 B14R1.62 C=COCCOC[C@H]1CCCN1CC 7a_100011739246_100000039644 [0,1,0,1,0,0|2,0,0]=4 13906 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [0,1,0,1,0,0|1,0,0]=3 13907 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [0,1,0,1,0,0|1,0,0]=3 13908 B14R1.62 CCN1CCCC1CNCCCC=O 2230a_100000211693_200011292268 [0,1,0,1,0,0|2,0,0]=4 13909 B14R1.62 CCN1CCC[C@@H]1COCCCC=O 7a_100011739246_200011292268 [0,1,0,1,0,0|2,0,0]=4 13910 B14R1.62 CCOCCCNC1CCCC1CC 269862a_100000210961_100000749056 [0,1,0,1,0,0|1,0,1]=4 13911 B14R1.62 CCOCCCNC1CCCC1CC 270004a_100000210961_100000749056 [0,1,0,1,0,0|1,0,1]=4 13912 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [0,1,0,1,0,0|2,0,0]=4 13913 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [0,1,0,1,0,0|2,0,0]=4 13914 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000209983_100000735217 [0,1,0,1,0,0|1,0,0]=3 13915 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000698827_100000210326 [0,1,0,1,0,0|1,0,0]=3 13916 B14R1.138 CCCCCNC1CCCCNC1=O 34a_100000698827_100000718602 [0,1,0,1,0,0|1,0,0]=3 13917 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [0,1,0,1,0,0|1,0,0]=3 13918 B14R1.138 CCCCCOC1CCCCNC1=O 7a_100000210253_100000735217 [0,1,0,1,0,0|1,0,0]=3 13919 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [0,1,0,1,0,0|1,0,0]=3 13920 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [0,1,0,1,0,0|1,0,0]=3 13921 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000210326_100000735217 [0,1,0,1,0,0|1,0,0]=3 13922 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000735217_100000210326 [0,1,0,1,0,0|1,0,0]=3 13923 B14R1.138 CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210202 [0,1,0,1,0,0|2,0,0]=4 13924 B14R1.138 CCNCCCN1CCCCCC1=O 34a_100000195386_100000210202 [0,1,0,1,0,0|2,0,0]=4 13925 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_100000698827_100011215890 [0,1,0,1,0,0|2,0,0]=4 13926 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_102516460346_100000735217 [0,1,0,1,0,0|2,0,0]=4 13927 B14R1.138 CCOCCNC1CCCCNC1=O 34a_100000698827_100000210147 [0,1,0,1,0,0|2,0,0]=4 13928 B14R1.138 CCOCCOC1CCCCCC1=O 7a_100000210136_100000243696 [0,1,0,1,0,0|2,0,0]=4 13929 B14R1.138 CCOCCOC1CCCCNC1=O 7a_100000210136_100000735217 [0,1,0,1,0,0|2,0,0]=4 13930 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000210147_100000243696 [0,1,0,1,0,0|2,0,0]=4 13931 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000243696_100011215890 [0,1,0,1,0,0|2,0,0]=4 13932 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000210147_100000735217 [0,1,0,1,0,0|2,0,0]=4 13933 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000735217_100011215890 [0,1,0,1,0,0|2,0,0]=4 13934 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000106463_100000735217 [0,1,0,1,0,0|2,0,0]=4 13935 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000698827_100000757381 [0,1,0,1,0,0|2,0,0]=4 13936 B14R1.138 CCSCCNC1CCCCNC1=O 34a_100000698827_100000757381 [0,1,0,1,0,0|2,0,0]=4 13937 B14R1.138 CCSCCOC1CCCCCC1=O 7a_100000212035_100000243696 [0,1,0,1,0,0|2,0,0]=4 13938 B14R1.138 CCSCCOC1CCCCNC1=O 7a_100000212035_100000735217 [0,1,0,1,0,0|2,0,0]=4 13939 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000243696_100000757381 [0,1,0,1,0,0|2,0,0]=4 13940 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000757381_100000243696 [0,1,0,1,0,0|2,0,0]=4 13941 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000735217_100000757381 [0,1,0,1,0,0|2,0,0]=4 13942 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000757381_100000735217 [0,1,0,1,0,0|2,0,0]=4 13943 B14R1.138 COCCCNC1CCCCNC1=O 2230a_100000698827_100000740836 [0,1,0,1,0,0|2,0,0]=4 13944 B14R1.138 COCCCNC1CCCCNC1=O 34a_100000698827_100000740836 [0,1,0,1,0,0|2,0,0]=4 13945 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000243696_100000709357 [0,1,0,1,0,0|2,0,0]=4 13946 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000709357_100000243696 [0,1,0,1,0,0|2,0,0]=4 13947 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000709357_100000735217 [0,1,0,1,0,0|2,0,0]=4 13948 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000735217_100000709357 [0,1,0,1,0,0|2,0,0]=4 13949 B14R1.138 CSCCCNC1CCCCNC1=O 2230a_100000749238_100000735217 [0,1,0,1,0,0|2,0,0]=4 13950 B14R1.138 CSCCCOC1CCCCCC1=O 7a_100000690336_100000243696 [0,1,0,1,0,0|2,0,0]=4 13951 B14R1.138 CSCCCOC1CCCCNC1=O 7a_100000690336_100000735217 [0,1,0,1,0,0|2,0,0]=4 13952 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [0,1,0,1,0,0|2,0,0]=4 13953 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [0,1,0,1,0,0|2,0,0]=4 13954 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [0,1,0,1,0,0|2,0,0]=4 13955 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [0,1,0,1,0,0|2,0,0]=4 13956 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [0,1,0,1,0,0|2,0,0]=4 13957 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [0,1,0,1,0,0|2,0,0]=4 13958 B14R1.138 O=C1NCCCCC1NCCCCF 2230a_100000698827_100000729493 [0,1,0,1,0,0|2,0,0]=4 13959 B14R1.138 O=C1NCCCCC1NCCCCF 34a_100000698827_100000729493 [0,1,0,1,0,0|2,0,0]=4 13960 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000698827_100000210776 [0,1,0,1,0,0|2,0,0]=4 13961 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000750430_100000735217 [0,1,0,1,0,0|2,0,0]=4 13962 B14R1.138 O=C1NCCCCC1NCCCCO 34a_100000698827_100011216708 [0,1,0,1,0,0|2,0,0]=4 13963 B14R1.138 O=C1NCCCCC1OCCCCCl 7a_100000210776_100000735217 [0,1,0,1,0,0|2,0,0]=4 13964 B14R1.138 O=C1NCCCCC1OCCCCF 7a_100011995726_100000735217 [0,1,0,1,0,0|2,0,0]=4 13965 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000729493_100000735217 [0,1,0,1,0,0|2,0,0]=4 13966 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000735217_100000729493 [0,1,0,1,0,0|2,0,0]=4 13967 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000210776_100000735217 [0,1,0,1,0,0|2,0,0]=4 13968 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000735217_100000210776 [0,1,0,1,0,0|2,0,0]=4 13969 B14R1.234 C=CCCCNC1CCCC1CCC 269862a_100000700776_100000723119 [0,1,0,1,0,0|2,0,0]=4 13970 B14R1.234 C=CCCCNC1CCCC1CCC 270004a_100000700776_100000723119 [0,1,0,1,0,0|2,0,0]=4 13971 B14R1.234 CCCC1CCCC1NCCOCC 269862a_100011200944_100000723119 [0,1,0,1,0,0|1,0,1]=4 13972 B14R1.234 CCCC1CCCC1NCCOCC 270004a_102516460346_100000723119 [0,1,0,1,0,0|1,0,1]=4 13973 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 2230a_100020646714_100000139335 [0,1,0,1,0,0|2,0,0]=4 13974 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 269982a_100020646714_100000139335 [0,1,0,1,0,0|2,0,0]=4 13975 B14R1.476 C=CCCCCN1CCCCC1CC 2230a_100000210034_100011215482 [0,1,0,1,0,0|2,0,0]=4 13976 B14R1.476 C=CCCCCN1CCCCC1CC 269982a_100000210034_100011215482 [0,1,0,1,0,0|2,0,0]=4 13977 B14R1.476 C=CCCCCN1CCCCC1CC 34a_100000210034_100011215482 [0,1,0,1,0,0|2,0,0]=4 13978 B14R1.476 C=CCCCNC1CCCCC1CC 269862a_100000700776_100000757040 [0,1,0,1,0,0|2,0,0]=4 13979 B14R1.476 C=CCCCNC1CCCCC1CC 270004a_100000700776_100000757040 [0,1,0,1,0,0|2,0,0]=4 13980 B14R1.476 C=CCCCOC1CCCCC1CC 34a_100000210738_100000757094 [0,1,0,1,0,0|2,0,0]=4 13981 B14R1.476 C=CCCCOC1CCCCC1CC 7a_100000210738_100000757094 [0,1,0,1,0,0|2,0,0]=4 13982 B14R1.476 C=COCCNC1CCCCC1OC 34a_100011208099_100000039644 [0,1,0,1,0,0|2,0,0]=4 13983 B14R1.476 C=COCCOC1CCCCC1CC 34a_100000210738_100000039644 [0,1,0,1,0,0|1,0,0]=3 13984 B14R1.476 C=COCCOC1CCCCC1CC 7a_100000210738_100000039644 [0,1,0,1,0,0|1,0,0]=3 13985 B14R1.476 C=COCCOC1CCCCC1CN 34a_100011216029_100000039644 [0,1,0,1,0,0|2,0,0]=4 13986 B14R1.476 C=COCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000039644 [0,1,0,1,0,0|2,0,0]=4 13987 B14R1.476 C=COCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000039644 [0,1,0,1,0,0|2,0,0]=4 13988 B14R1.476 C=COCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000039644 [0,1,0,1,0,0|2,0,0]=4 13989 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [0,1,0,1,0,0|1,0,0]=3 13990 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [0,1,0,1,0,0|1,0,0]=3 13991 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [0,1,0,1,0,0|1,0,0]=3 13992 B14R1.476 CCC1CCCCN1CCNCC=O 2230a_100000755458_200015260668 [0,1,0,1,0,0|2,0,0]=4 13993 B14R1.476 CCC1CCCCN1CCNCC=O 34a_100000755458_200009817547 [0,1,0,1,0,0|2,0,0]=4 13994 B14R1.476 CCOCCCN1CCCCC1CC 2230a_100000210034_100012232248 [0,1,0,1,0,0|1,0,1]=4 13995 B14R1.476 CCOCCCN1CCCCC1CC 269982a_100000210034_100012232248 [0,1,0,1,0,0|1,0,1]=4 13996 B14R1.476 CCOCCCN1CCCCC1CC 34a_100000210034_100012232248 [0,1,0,1,0,0|1,0,1]=4 13997 B14R1.476 CCOCCNC1CCCCC1CC 269862a_100011200944_100000757040 [0,1,0,1,0,0|1,0,1]=4 13998 B14R1.476 CCOCCNC1CCCCC1CC 270004a_102516460346_100000757040 [0,1,0,1,0,0|1,0,1]=4 13999 B14R1.476 CCOCCOC1CCCCC1CC 34a_100000210738_100000210147 [0,1,0,1,0,0|1,0,1]=4 14000 B14R1.476 CCOCCOC1CCCCC1CC 7a_100000210738_100011215890 [0,1,0,1,0,0|1,0,1]=4 14001 B14R1.476 CC[C@H]1COCCN1CCCCC=O 2230a_100016988097_100000139335 [0,1,0,1,0,0|2,0,0]=4 14002 B14R1.476 CC[C@H]1COCCN1CCCCC=O 269982a_100016988097_100000139335 [0,1,0,1,0,0|2,0,0]=4 14003 B14R1.476 CO[C@H]1CCCC[C@@H]1OCCCC=O 7a_200009815850_200011292268 [0,1,0,1,0,0|2,0,0]=4 14004 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [0,1,0,1,0,0|2,0,0]=4 14005 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [0,1,0,1,0,0|2,0,0]=4 14006 B14R1.904 C/C=C/COC1CCCCC1CCC 34a_100011217265_100102629194 [0,1,0,1,0,0|2,0,0]=4 14007 B14R1.904 C/C=C/COC1CCCCC1CCC 7a_100011217265_100102629194 [0,1,0,1,0,0|2,0,0]=4 14008 B14R1.904 C=CCC1CCCCC1NCCCC 269862a_100000102301_100011214939 [0,1,0,1,0,0|2,0,0]=4 14009 B14R1.904 C=CCC1CCCCC1NCCCC 270004a_100000102301_100011214939 [0,1,0,1,0,0|2,0,0]=4 14010 B14R1.904 C=CCCCN1CCCCC1CCC 2230a_100000701414_100011713584 [0,1,0,1,0,0|2,0,0]=4 14011 B14R1.904 C=CCCCN1CCCCC1CCC 269982a_100000701414_100000757094 [0,1,0,1,0,0|2,0,0]=4 14012 B14R1.904 C=CCCCN1CCCCC1CCC 34a_100000701414_100000757094 [0,1,0,1,0,0|2,0,0]=4 14013 B14R1.904 C=CCCNC1CCCCC1CCC 269862a_100015191253_100011218038 [0,1,0,1,0,0|2,0,0]=4 14014 B14R1.904 C=CCCNC1CCCCC1CCC 270004a_100015191253_100011218038 [0,1,0,1,0,0|2,0,0]=4 14015 B14R1.904 C=CCCOC1CCCCC1CCC 34a_100011217265_100000754431 [0,1,0,1,0,0|2,0,0]=4 14016 B14R1.904 C=CCCOC1CCCCC1CCC 7a_100011217265_100000754431 [0,1,0,1,0,0|2,0,0]=4 14017 B14R1.904 C=COCCN1CCCCC1CCC 2230a_100000701414_100000039644 [0,1,0,1,0,0|1,0,0]=3 14018 B14R1.904 C=COCCN1CCCCC1CCC 269982a_100000701414_100000039644 [0,1,0,1,0,0|1,0,0]=3 14019 B14R1.904 C=COCCN1CCCCC1CCC 34a_100000701414_100000039644 [0,1,0,1,0,0|1,0,0]=3 14020 B14R1.904 C=COCCN1CCCCC1CCO 2230a_100000211664_100000039644 [0,1,0,1,0,0|2,0,0]=4 14021 B14R1.904 C=COCCN1CCCCC1CCO 269982a_100000211664_100000039644 [0,1,0,1,0,0|2,0,0]=4 14022 B14R1.904 C=COCCN1CCCCC1CCO 34a_100000211664_100000039644 [0,1,0,1,0,0|2,0,0]=4 14023 B14R1.904 C=COCCN1CCCCC1COC 2230a_100015184032_100000039644 [0,1,0,1,0,0|2,0,0]=4 14024 B14R1.904 C=COCCN1CCCCC1COC 269982a_100015184032_100000039644 [0,1,0,1,0,0|2,0,0]=4 14025 B14R1.904 C=COCCN1CCCCC1COC 34a_100015184032_100000039644 [0,1,0,1,0,0|2,0,0]=4 14026 B14R1.904 C=COCCN1CCOCC1CCC 2230a_102495339903_100000039644 [0,1,0,1,0,0|2,0,0]=4 14027 B14R1.904 C=COCCN1CCOCC1CCC 269982a_102495339903_100000039644 [0,1,0,1,0,0|2,0,0]=4 14028 B14R1.904 C=COCCN1CCOCC1CCC 34a_102495339903_100000039644 [0,1,0,1,0,0|2,0,0]=4 14029 B14R1.904 CC=CCOC1CCCCC1CCC 34a_100011217265_100000070051 [0,1,0,1,0,0|2,0,0]=4 14030 B14R1.904 CC=CCOC1CCCCC1CCC 7a_100011217265_100000070051 [0,1,0,1,0,0|2,0,0]=4 14031 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [0,1,0,1,0,0|1,0,0]=3 14032 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [0,1,0,1,0,0|1,0,0]=3 14033 B14R1.904 CCCC1CCCCN1CCOCC 2230a_100000701414_100011215890 [0,1,0,1,0,0|1,0,1]=4 14034 B14R1.904 CCCC1CCCCN1CCOCC 269982a_100000701414_100011215890 [0,1,0,1,0,0|1,0,1]=4 14035 B14R1.904 CCCC1CCCCN1CCOCC 34a_100000701414_100000210147 [0,1,0,1,0,0|1,0,1]=4 14036 B14R1.904 CCCC1COCCN1CCCC=O 2230a_102495339903_200011292268 [0,1,0,1,0,0|2,0,0]=4 14037 B14R1.904 CCCC1COCCN1CCCC=O 269982a_102495339903_200011292268 [0,1,0,1,0,0|2,0,0]=4 14038 B14R1.904 CCCCNC1CCCCC1OCC 270004a_100000102301_200000031474 [0,1,0,1,0,0|1,0,1]=4 14039 B14R1.904 COCC1CCCCN1CCCC=O 2230a_100015184032_200011292268 [0,1,0,1,0,0|2,0,0]=4 14040 B14R1.904 COCC1CCCCN1CCCC=O 269982a_100015184032_200011292268 [0,1,0,1,0,0|2,0,0]=4 14041 B14R1.904 COCCCC1CCCCN1CC=O 2230a_100011804088_200015260668 [0,1,0,1,0,0|2,0,0]=4 14042 B14R1.904 COCCCC1CCCCN1CC=O 269982a_100011804088_200015260668 [0,1,0,1,0,0|2,0,0]=4 14043 B14R1.904 COCCCC1CCCCN1CC=O 34a_100011804088_200009817547 [0,1,0,1,0,0|2,0,0]=4 14044 B14R1.904 NCCN1CCCCC1COCC=O 34a_100011473795_200009817547 [0,1,0,1,0,0|2,0,0]=4 14045 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [0,1,0,1,0,0|2,0,0]=4 14046 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [0,1,0,1,0,0|2,0,0]=4 14047 B14R1.911 C=CCCNC1CCCC1CCCC 269862a_100015191253_100000750825 [0,1,0,1,0,0|2,0,0]=4 14048 B14R1.911 C=CCCNC1CCCC1CCCC 270004a_100015191253_100000750825 [0,1,0,1,0,0|2,0,0]=4 14049 B14R1.911 C=CCNC1CCCC1CCCCC 270004a_100020586998_200000198059 [0,1,0,1,0,0|2,0,0]=4 14050 B14R1.2352 C/C=C/CCOCC1CCCCCC1 34a_100016278192_200000696569 [0,1,0,1,0,0|2,0,0]=4 14051 B14R1.2352 C/C=C/CNCCC1CCCCCC1 34a_100011532351_100102629194 [0,1,0,1,0,0|2,0,0]=4 14052 B14R1.2352 C=CCCCCCN1CCCCCC1 2230a_100000185865_100000700193 [0,1,0,1,0,0|2,0,0]=4 14053 B14R1.2352 C=CCCCCCN1CCCCCC1 269982a_100000185865_100000700193 [0,1,0,1,0,0|2,0,0]=4 14054 B14R1.2352 C=CCCCCCN1CCCCCC1 34a_100000185865_100000700193 [0,1,0,1,0,0|2,0,0]=4 14055 B14R1.2352 C=CCCCCNC1CCCCCC1 2230a_100000210984_100011215482 [0,1,0,1,0,0|2,0,0]=4 14056 B14R1.2352 C=CCCCCNC1CCCCCC1 270004a_100000703577_100000210131 [0,1,0,1,0,0|2,0,0]=4 14057 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000210984_100011215482 [0,1,0,1,0,0|2,0,0]=4 14058 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000703577_100011217769 [0,1,0,1,0,0|2,0,0]=4 14059 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000210887_100011215482 [0,1,0,1,0,0|2,0,0]=4 14060 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000766645_100011217769 [0,1,0,1,0,0|2,0,0]=4 14061 B14R1.2352 C=CCCCCOC1CCCCCC1 7a_100000210887_100011215482 [0,1,0,1,0,0|2,0,0]=4 14062 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011215482_100011217769 [0,1,0,1,0,0|2,0,0]=4 14063 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011217769_100011215482 [0,1,0,1,0,0|2,0,0]=4 14064 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100000700776_200000696569 [0,1,0,1,0,0|2,0,0]=4 14065 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100015204231_100011713584 [0,1,0,1,0,0|2,0,0]=4 14066 B14R1.2352 C=CCCCNCC1CCCCCC1 269862a_100000700776_200000763224 [0,1,0,1,0,0|2,0,0]=4 14067 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100000700776_200000696569 [0,1,0,1,0,0|2,0,0]=4 14068 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100015204231_100000757094 [0,1,0,1,0,0|2,0,0]=4 14069 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000699130_100000757094 [0,1,0,1,0,0|2,0,0]=4 14070 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000758997_200000696569 [0,1,0,1,0,0|2,0,0]=4 14071 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000699130_100000757094 [0,1,0,1,0,0|2,0,0]=4 14072 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000758997_200000696569 [0,1,0,1,0,0|2,0,0]=4 14073 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_100011713584_200000696569 [0,1,0,1,0,0|2,0,0]=4 14074 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_200000696569_100000757094 [0,1,0,1,0,0|2,0,0]=4 14075 B14R1.2352 C=CCCNCCC1CCCCCC1 2230a_100011532351_100000754431 [0,1,0,1,0,0|2,0,0]=4 14076 B14R1.2352 C=CCCNCCC1CCCCCC1 34a_100011532351_100000754431 [0,1,0,1,0,0|2,0,0]=4 14077 B14R1.2352 C=CCOCCCN1CCCCCC1 34a_100102886287_100015514636 [0,1,0,1,0,0|2,0,0]=4 14078 B14R1.2352 C=CCOCCCN1CCCCCC1 7a_100102886287_100015514636 [0,1,0,1,0,0|2,0,0]=4 14079 B14R1.2352 C=CCOCCOC1CCCCCC1 34a_100000037705_100011217769 [0,1,0,1,0,0|2,0,0]=4 14080 B14R1.2352 C=COCCCNC1CCCCCC1 270004a_100000210767_100000210131 [0,1,0,1,0,0|1,0,0]=3 14081 B14R1.2352 C=COCCCNC1CCCCCC1 34a_100000210767_100011217769 [0,1,0,1,0,0|1,0,0]=3 14082 B14R1.2352 C=COCCCNC1CCCNCC1 270004a_100000210767_100015187895 [0,1,0,1,0,0|2,0,0]=4 14083 B14R1.2352 C=COCCNCC1CCCCCC1 2230a_100015204231_100000039644 [0,1,0,1,0,0|1,0,0]=3 14084 B14R1.2352 C=COCCNCC1CCCCCC1 34a_100015204231_100000039644 [0,1,0,1,0,0|1,0,0]=3 14085 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000033082_200000696569 [0,1,0,1,0,0|1,0,0]=3 14086 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000699130_100000039644 [0,1,0,1,0,0|1,0,0]=3 14087 B14R1.2352 C=COCCOCC1CCCCCC1 7a_100000699130_100000039644 [0,1,0,1,0,0|1,0,0]=3 14088 B14R1.2352 C=COCCSCC1CCCCCC1 62a_100000039644_200000696569 [0,1,0,1,0,0|1,0,0]=3 14089 B14R1.2352 C=COCCSCC1CCCCCC1 62a_200000696569_100000039644 [0,1,0,1,0,0|1,0,0]=3 14090 B14R1.2352 CC=CCCCOC1CCCCCC1 34a_100020645299_100011217769 [0,1,0,1,0,0|2,0,0]=4 14091 B14R1.2352 CC=CCNCCC1CCCCCC1 2230a_100011532351_100000070051 [0,1,0,1,0,0|2,0,0]=4 14092 B14R1.2352 CC=CCNCCC1CCCCCC1 34a_100011532351_100000070051 [0,1,0,1,0,0|2,0,0]=4 14093 B14R1.2352 CCCCCCCN1CCCOCC1 2230a_100000685342_100000210681 [0,1,0,1,0,0|1,0,1]=4 14094 B14R1.2352 CCCCCCCN1CCCOCC1 269982a_100000685342_100000210681 [0,1,0,1,0,0|1,0,1]=4 14095 B14R1.2352 CCCCCCCN1CCCOCC1 34a_100000685342_100000210614 [0,1,0,1,0,0|1,0,1]=4 14096 B14R1.2352 CCOCCCCN1CCCCCC1 34a_100011305542_100000210202 [0,1,0,1,0,0|1,0,1]=4 14097 B14R1.2352 CCOCCCNC1CCCCCC1 2230a_100000210984_100012232248 [0,1,0,1,0,0|1,0,1]=4 14098 B14R1.2352 CCOCCCNC1CCCCCC1 270004a_100000210961_100000210131 [0,1,0,1,0,0|1,0,1]=4 14099 B14R1.2352 CCOCCCNC1CCCCCC1 34a_100000210961_100011217769 [0,1,0,1,0,0|1,0,1]=4 14100 B14R1.2352 CCOCCCNC1CCCCCC1 34a_100000210984_100012232248 [0,1,0,1,0,0|1,0,1]=4 14101 B14R1.2352 CCOCCCOC1CCCCCC1 34a_100000210887_100012232248 [0,1,0,1,0,0|1,0,1]=4 14102 B14R1.2352 CCOCCCOC1CCCCCC1 34a_100000757476_100011217769 [0,1,0,1,0,0|1,0,1]=4 14103 B14R1.2352 CCOCCCOC1CCCCCC1 7a_100000210887_100012232248 [0,1,0,1,0,0|1,0,1]=4 14104 B14R1.2352 CCOCCCSC1CCCCCC1 62a_100011217769_100012232248 [0,1,0,1,0,0|1,0,1]=4 14105 B14R1.2352 CCOCCCSC1CCCCCC1 62a_100012232248_100011217769 [0,1,0,1,0,0|1,0,1]=4 14106 B14R1.2352 CCOCCNCC1CCCCCC1 2230a_100015204231_100011215890 [0,1,0,1,0,0|1,0,1]=4 14107 B14R1.2352 CCOCCNCC1CCCCCC1 2230a_102516460346_200000696569 [0,1,0,1,0,0|1,0,1]=4 14108 B14R1.2352 CCOCCNCC1CCCCCC1 269862a_100011200944_200000763224 [0,1,0,1,0,0|1,0,1]=4 14109 B14R1.2352 CCOCCNCC1CCCCCC1 34a_100015204231_100000210147 [0,1,0,1,0,0|1,0,1]=4 14110 B14R1.2352 CCOCCNCC1CCCCCC1 34a_102516460346_200000696569 [0,1,0,1,0,0|1,0,1]=4 14111 B14R1.2352 CCOCCOCC1CCCCCC1 34a_100000210136_200000696569 [0,1,0,1,0,0|1,0,1]=4 14112 B14R1.2352 CCOCCOCC1CCCCCC1 34a_100000699130_100000210147 [0,1,0,1,0,0|1,0,1]=4 14113 B14R1.2352 CCOCCOCC1CCCCCC1 7a_100000210136_200000696569 [0,1,0,1,0,0|1,0,1]=4 14114 B14R1.2352 CCOCCOCC1CCCCCC1 7a_100000699130_100011215890 [0,1,0,1,0,0|1,0,1]=4 14115 B14R1.2352 CCOCCSCC1CCCCCC1 62a_100000210147_200000696569 [0,1,0,1,0,0|1,0,1]=4 14116 B14R1.2352 CCOCCSCC1CCCCCC1 62a_200000696569_100011215890 [0,1,0,1,0,0|1,0,1]=4 14117 B14R1.2352 FCOCCCCN1CCCCCC1 34a_100011305542_100015361967 [0,1,0,1,0,0|1,0,1]=4 14118 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [0,1,0,1,0,0|1,0,0]=3 14119 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [0,1,0,1,0,0|1,0,0]=3 14120 B14R1.2352 O=CCCCCCN1CCCOCC1 2230a_100000685342_100000139337 [0,1,0,1,0,0|2,0,0]=4 14121 B14R1.2352 O=CCCCCCN1CCCOCC1 269982a_100000685342_100000139337 [0,1,0,1,0,0|2,0,0]=4 14122 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [0,1,0,1,0,0|1,0,0]=3 14123 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [0,1,0,1,0,0|1,0,0]=3 14124 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [0,1,0,1,0,0|1,0,0]=3 14125 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [0,1,0,1,0,0|1,0,0]=3 14126 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [0,1,0,1,0,0|1,0,0]=3 14127 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [0,1,0,1,0,0|1,0,0]=3 14128 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [0,1,0,1,0,0|1,0,0]=3 14129 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [0,1,0,1,0,0|1,0,0]=3 14130 B14R1.2352 O=CCOCCCN1CCCCCC1 34a_100102886287_200009817547 [0,1,0,1,0,0|1,0,0]=3 14131 B14R1.2352 O=CCOCCCN1CCCCCC1 7a_100102886287_200015260668 [0,1,0,1,0,0|1,0,0]=3 14132 B14R1.3128 COCC1CCN1CCCCCC=O 2230a_100015195929_100000139337 [0,1,0,1,0,0|2,0,0]=4 14133 B14R1.3128 COCC1CCN1CCCCCC=O 269982a_100015195929_100000139337 [0,1,0,1,0,0|2,0,0]=4 14134 B14R1.6533 C=CCCCN1CCCCCCCC1 2230a_100000039187_100011713584 [0,1,0,1,0,0|2,0,0]=4 14135 B14R1.6533 C=CCCCN1CCCCCCCC1 269982a_100000039187_100000757094 [0,1,0,1,0,0|2,0,0]=4 14136 B14R1.6533 C=CCCCN1CCCCCCCC1 34a_100000039187_100000757094 [0,1,0,1,0,0|2,0,0]=4 14137 B14R1.6533 C=CCCNC1CCCCCCCC1 270004a_100015191253_100000038600 [0,1,0,1,0,0|2,0,0]=4 14138 B14R1.6533 C=COCCN1CCCCCCCC1 2230a_100000039187_100000039644 [0,1,0,1,0,0|1,0,0]=3 14139 B14R1.6533 C=COCCN1CCCCCCCC1 269982a_100000039187_100000039644 [0,1,0,1,0,0|1,0,0]=3 14140 B14R1.6533 C=COCCN1CCCCCCCC1 34a_100000039187_100000039644 [0,1,0,1,0,0|1,0,0]=3 14141 B14R1.6533 CCOCCN1CCCCCCCC1 2230a_100000039187_100011215890 [0,1,0,1,0,0|1,0,1]=4 14142 B14R1.6533 CCOCCN1CCCCCCCC1 269982a_100000039187_100011215890 [0,1,0,1,0,0|1,0,1]=4 14143 B14R1.6533 CCOCCN1CCCCCCCC1 34a_100000039187_100000210147 [0,1,0,1,0,0|1,0,1]=4 14144 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [0,1,0,1,0,0|1,0,0]=3 14145 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [0,1,0,1,0,0|1,0,0]=3 14146 B14R1.86 C=COCCC(=O)CCC1CCCC1 1458a_100000211120_100000039644 [0,1,0,1,0,0|1,0,1]=4 14147 B14R1.158 C=COCCC(=O)CC1CCCCC1 1458a_100000211666_100000039644 [0,1,0,1,0,0|1,0,1]=4 14148 B14R1.158 C=COCCN(C)CC1CCCCC1 2230a_100000736448_100000039644 [0,1,0,1,0,0|2,0,0]=4 14149 B14R1.158 C=COCCN(C)CC1CCCCC1 269982a_100000736448_100000039644 [0,1,0,1,0,0|2,0,0]=4 14150 B14R1.158 C=COCCN(C)CC1CCCCC1 34a_100000736448_100000039644 [0,1,0,1,0,0|2,0,0]=4 14151 B14R1.158 CN(CCCC=O)CC1CCCCC1 2230a_100000736448_200011292268 [0,1,0,1,0,0|2,0,0]=4 14152 B14R1.158 CN(CCCC=O)CC1CCCCC1 269982a_100000736448_200011292268 [0,1,0,1,0,0|2,0,0]=4 14153 B14R1.158 N[C@H](COCC=O)CC1CCCCC1 34a_100015184289_200009817547 [0,1,0,1,0,0|2,0,0]=4 14154 B14R1.169 C=COCCCNC(C)C1CCCC1 269862a_100000210767_100000749594 [0,1,0,1,0,0|2,0,0]=4 14155 B14R1.169 C=COCCCNC(C)C1CCCC1 270004a_100000210767_100000749594 [0,1,0,1,0,0|2,0,0]=4 14156 B14R1.169 CC(NCCCCC=O)C1CCCC1 2230a_100015185923_100000139335 [0,1,0,1,0,0|2,0,0]=4 14157 B14R1.169 CC(OCCCCC=O)C1CCCC1 7a_100011216366_100000139335 [0,1,0,1,0,0|2,0,0]=4 14158 B14R1.169 CN(CCCCCC=O)C1CCCC1 2230a_100000207505_100000139337 [0,1,0,1,0,0|2,0,0]=4 14159 B14R1.169 CN(CCCCCC=O)C1CCCC1 269982a_100000207505_100000139337 [0,1,0,1,0,0|2,0,0]=4 14160 B14R1.1035 C=COCCC(=O)C1CCCCC1C 1458a_100011215568_100000039644 [0,1,0,1,0,0|1,0,1]=4 14161 B14R1.1035 CCCCCC(=O)C1CCCCC1=O 1458a_100000212188_100000204591 [0,1,0,1,0,0|1,0,1]=4 14162 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210326 [0,1,0,1,0,0|1,0,1]=4 14163 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000212188_100000687798 [0,1,0,1,0,0|1,0,1]=4 14164 B14R1.1035 CCCCCN(C)C1CCCCC1=O 269982a_100000223495_100000204591 [0,1,0,1,0,0|2,0,0]=4 14165 B14R1.1035 CCCCCN(C)C1CCCNC1=O 2230a_100000223495_100000687798 [0,1,0,1,0,0|2,0,0]=4 14166 B14R1.1035 CCCCCN(C)C1CCCNC1=O 269982a_100000223495_100000687798 [0,1,0,1,0,0|2,0,0]=4 14167 B14R1.1038 CCCCCC(=O)CCC1CCC1=O 1458a_100000212188_200016118888 [0,1,0,1,0,0|1,0,1]=4 14168 B14R1.1038 CCCCCN(C)CCC1CCC1=O 2230a_100000223495_200016118888 [0,1,0,1,0,0|2,0,0]=4 14169 B14R1.1038 CCCCCN(C)CCC1CCC1=O 269982a_100000223495_200016118888 [0,1,0,1,0,0|2,0,0]=4 14170 B14R1.1047 CCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210326 [0,1,0,1,0,0|1,0,1]=4 14171 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,1,0,1,0,0|2,0,0]=4 14172 B14R1.1047 CCCCCC(C)NC1CCNC1=O 2230a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 14173 B14R1.1047 CCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000211708 [0,1,0,1,0,0|2,0,0]=4 14174 B14R1.1047 CCCCCC(C)NC1CCNC1=O 34a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 14175 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,1,0,1,0,0|1,0,0]=3 14176 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,1,0,1,0,0|2,0,0]=4 14177 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,1,0,1,0,0|2,0,0]=4 14178 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,1,0,1,0,0|2,0,0]=4 14179 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,1,0,1,0,0|1,0,0]=3 14180 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,1,0,1,0,0|1,0,0]=3 14181 B14R1.1047 CCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011218191 [0,1,0,1,0,0|2,0,0]=4 14182 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,1,0,1,0,0|2,0,0]=4 14183 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,1,0,1,0,0|2,0,0]=4 14184 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,1,0,1,0,0|1,0,0]=3 14185 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,1,0,1,0,0|1,0,0]=3 14186 B14R1.1047 COCCCC(C)OC1CCOC1=O 34a_200011539412_100000211211 [0,1,0,1,0,0|2,0,0]=4 14187 B14R1.1047 COCCCC(C)OC1CCOC1=O 7a_200011539412_100000211211 [0,1,0,1,0,0|2,0,0]=4 14188 B14R1.3001 C=COCCC(=O)C1CCCCCC1 1458a_100000749507_100000039644 [0,1,0,1,0,0|1,0,1]=4 14189 B14R1.3001 C=COCCN(C)C1CCCCCC1 2230a_100015185097_100000039644 [0,1,0,1,0,0|2,0,0]=4 14190 B14R1.3001 C=COCCN(C)C1CCCCCC1 269982a_100015185097_100000039644 [0,1,0,1,0,0|2,0,0]=4 14191 B14R1.3001 C=COCCN(C)C1CCCCCC1 34a_100015185097_100000039644 [0,1,0,1,0,0|2,0,0]=4 14192 B14R1.3001 CN(CCCC=O)C1CCCCCC1 2230a_100015185097_200011292268 [0,1,0,1,0,0|2,0,0]=4 14193 B14R1.3001 CN(CCCC=O)C1CCCCCC1 269982a_100015185097_200011292268 [0,1,0,1,0,0|2,0,0]=4 14194 B14R1.4517 CN(CCCCCC=O)CC1CCC1 2230a_200000750244_100000139337 [0,1,0,1,0,0|2,0,0]=4 14195 B14R1.4517 CN(CCCCCC=O)CC1CCC1 269982a_200000750244_100000139337 [0,1,0,1,0,0|2,0,0]=4 14196 B14R1.4519 CCCCCCCC(=O)C1CCC1=O 1458a_100000211969_100009892977 [0,1,0,1,0,0|1,0,1]=4 14197 B14R1.4519 CCCCCCCN(C)C1CCC1=O 269982a_100000228206_100009892977 [0,1,0,1,0,0|2,0,0]=4 14198 B14R1.8088 C=COCCNCC1(CCCCC1)C 2230a_100000706052_100000039644 [0,1,0,1,0,0|2,0,0]=4 14199 B14R1.8088 C=COCCNCC1(CCCCC1)C 34a_100000706052_100000039644 [0,1,0,1,0,0|2,0,0]=4 14200 B14R1.8088 C=COCCNCC1(CCCCC1)O 2230a_100000748649_100000039644 [0,1,0,1,0,0|2,0,0]=4 14201 B14R1.8088 C=COCCNCC1(CCCCC1)O 34a_100000748649_100000039644 [0,1,0,1,0,0|2,0,0]=4 14202 B14R1.8088 C=COCCOCC1(CCCCC1)C 34a_100000688186_100000039644 [0,1,0,1,0,0|2,0,0]=4 14203 B14R1.8088 C=COCCOCC1(CCCCC1)C 7a_100000688186_100000039644 [0,1,0,1,0,0|2,0,0]=4 14204 B14R1.8088 C=COCCOCC1(CCCCC1)F 34a_100000090305_100000039644 [0,1,0,1,0,0|2,0,0]=4 14205 B14R1.8088 C=COCCOCC1(CCCCC1)F 7a_100000090305_100000039644 [0,1,0,1,0,0|2,0,0]=4 14206 B14R1.8088 C=COCCOCC1(CCCCC1)N 34a_100000740034_100000039644 [0,1,0,1,0,0|2,0,0]=4 14207 B14R1.8088 CC1(CCCCC1)CNCCCC=O 2230a_100000706052_200011292268 [0,1,0,1,0,0|2,0,0]=4 14208 B14R1.8088 CC1(CCCCC1)COCCCC=O 7a_100000688186_200011292268 [0,1,0,1,0,0|2,0,0]=4 14209 B14R1.8088 CC1(CCCCC1)NCCCCC=O 2230a_100000741114_100000139335 [0,1,0,1,0,0|2,0,0]=4 14210 B14R1.8088 CC1(CCCCC1)OCCCCC=O 7a_100011215885_100000139335 [0,1,0,1,0,0|2,0,0]=4 14211 B14R1.8088 O=CCCCNCC1(CCCCC1)O 2230a_100000748649_200011292268 [0,1,0,1,0,0|2,0,0]=4 14212 B14R1.8088 O=CCCCOCC1(CCCCC1)F 7a_100000090305_200011292268 [0,1,0,1,0,0|2,0,0]=4 14213 B14R1.20339 C=COCCOC1C(CCCC1C)C 34a_100011218088_100000039644 [0,1,0,1,0,0|2,0,0]=4 14214 B14R1.20339 C=COCCOC1C(CCCC1C)C 7a_100011218088_100000039644 [0,1,0,1,0,0|2,0,0]=4 14215 B14R1.20339 CC1CCCC(C1OCCCC=O)C 7a_100011218088_200011292268 [0,1,0,1,0,0|2,0,0]=4 14216 B14R1.20339 CC1CCCC(N1CCCCC=O)C 2230a_100000210447_100000139335 [0,1,0,1,0,0|2,0,0]=4 14217 B14R1.20339 CC1CCCC(N1CCCCC=O)C 269982a_100000210447_100000139335 [0,1,0,1,0,0|2,0,0]=4 14218 B14R2.30 O=C1CCCC1NC2CCCCC2 2230a_100000182618_100000211823 [0,0,0,2,0,0|2,0,0]=4 14219 B14R2.30 O=C1CCCC1NC2CCCCC2 34a_100000182618_100000709159 [0,0,0,2,0,0|2,0,0]=4 14220 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_100000210231_100000709159 [0,0,0,2,0,0|2,0,0]=4 14221 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_200000719330_100000210327 [0,0,0,2,0,0|2,0,0]=4 14222 B14R2.30 O=C1CCCC1OC2CCCCC2 7a_100000210231_100000211823 [0,0,0,2,0,0|2,0,0]=4 14223 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000210327_100000211823 [0,0,0,2,0,0|2,0,0]=4 14224 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000211823_100000210327 [0,0,0,2,0,0|2,0,0]=4 14225 B14R2.30 O=C1NCCC1NC2CCCCC2 270004a_100016995588_100000210434 [0,0,0,2,0,0|2,0,0]=4 14226 B14R2.30 O=C1NCCC1NC2CCCCC2 34a_100016995588_100000210327 [0,0,0,2,0,0|2,0,0]=4 14227 B14R2.30 O=C1NCC[C@@H]1OC2CCCCC2 34a_100000688343_100000210327 [0,0,0,2,0,0|2,0,0]=4 14228 B14R2.30 O=C1OCCC1NC2CCCCC2 2230a_100000182618_100000211211 [0,0,0,2,0,0|1,0,0]=3 14229 B14R2.30 O=C1OCCC1NC2CCCCC2 34a_100000182618_100000211211 [0,0,0,2,0,0|1,0,0]=3 14230 B14R2.30 O=C1OCCC1NC2CCCOC2 2230a_100000719290_100000211211 [0,0,0,2,0,0|2,0,0]=4 14231 B14R2.30 O=C1OCCC1NC2CCCOC2 34a_100000719290_100000211211 [0,0,0,2,0,0|2,0,0]=4 14232 B14R2.30 O=C1OCCC1NC2CCOCC2 2230a_100000741149_100000211211 [0,0,0,2,0,0|2,0,0]=4 14233 B14R2.30 O=C1OCCC1NC2CCOCC2 34a_100000741149_100000211211 [0,0,0,2,0,0|2,0,0]=4 14234 B14R2.30 O=C1OCCC1NC2CCSCC2 2230a_100000748639_100000211211 [0,0,0,2,0,0|2,0,0]=4 14235 B14R2.30 O=C1OCCC1NC2CCSCC2 34a_100000748639_100000211211 [0,0,0,2,0,0|2,0,0]=4 14236 B14R2.30 O=C1OCCC1OC2CCCCC2 34a_100000210231_100000211211 [0,0,0,2,0,0|1,0,0]=3 14237 B14R2.30 O=C1OCCC1OC2CCCCC2 7a_100000210231_100000211211 [0,0,0,2,0,0|1,0,0]=3 14238 B14R2.30 O=C1OCCC1OC2CCCCO2 34a_100000033831_100000211211 [0,0,0,2,0,0|2,0,0]=4 14239 B14R2.30 O=C1OCCC1OC2CCCOC2 34a_100000754041_100000211211 [0,0,0,2,0,0|2,0,0]=4 14240 B14R2.30 O=C1OCCC1OC2CCCSC2 7a_100015962668_100000211211 [0,0,0,2,0,0|2,0,0]=4 14241 B14R2.30 O=C1OCCC1OC2CCOCC2 34a_100000744328_100000211211 [0,0,0,2,0,0|2,0,0]=4 14242 B14R2.30 O=C1OCCC1OC2CCSCC2 34a_100000731022_100000211211 [0,0,0,2,0,0|2,0,0]=4 14243 B14R2.30 O=C1OCCC1OC2CCSCC2 7a_100000731022_100000211211 [0,0,0,2,0,0|2,0,0]=4 14244 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000210327_100000211211 [0,0,0,2,0,0|1,0,0]=3 14245 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000211211_100000210327 [0,0,0,2,0,0|1,0,0]=3 14246 B14R2.30 O=C1OCCC1SC2CCCOC2 62a_100000211211_100000693364 [0,0,0,2,0,0|2,0,0]=4 14247 B14R2.30 O=C1OCCC1SC2CCOCC2 62a_100000211211_100011324220 [0,0,0,2,0,0|2,0,0]=4 14248 B14R2.30 O=C1OCCC1SC2CCSCC2 62a_100000211211_100000069128 [0,0,0,2,0,0|2,0,0]=4 14249 B14R2.31 O=C1CCC1NCC2CCCCC2 34a_100000210473_100009892977 [0,0,0,2,0,0|2,0,0]=4 14250 B14R2.31 O=C1CCC1OCC2CCCCC2 34a_100000212181_100009892977 [0,0,0,2,0,0|2,0,0]=4 14251 B14R2.31 O=C1CCC1OCC2CCCCC2 7a_100000212181_100009892977 [0,0,0,2,0,0|2,0,0]=4 14252 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100000211423_100009892977 [0,0,0,2,0,0|2,0,0]=4 14253 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100009892977_100000211423 [0,0,0,2,0,0|2,0,0]=4 14254 B14R2.795 O=CCNCC1CC12CCCCC2 2230a_100015185624_200015260668 [0,0,0,2,0,0|2,0,0]=4 14255 B14R2.795 O=CCNCC1CC12CCCCC2 34a_100015185624_200009817547 [0,0,0,2,0,0|2,0,0]=4 14256 B14R2.3316 C=COCCN1CC2CCC1CC2 2230a_100000750499_100000039644 [0,0,0,2,0,0|2,0,0]=4 14257 B14R2.3316 C=COCCN1CC2CCC1CC2 269982a_100000750499_100000039644 [0,0,0,2,0,0|2,0,0]=4 14258 B14R2.3316 C=COCCN1CC2CCC1CC2 34a_100000750499_100000039644 [0,0,0,2,0,0|2,0,0]=4 14259 B14R2.3316 O=CCCCN1CC2CCC1CC2 2230a_100000750499_200011292268 [0,0,0,2,0,0|2,0,0]=4 14260 B14R2.3316 O=CCCCN1CC2CCC1CC2 269982a_100000750499_200011292268 [0,0,0,2,0,0|2,0,0]=4 14261 B14R2.4411 C=COCCOC1C2CCC1CC2 34a_100000033082_100009813300 [0,0,0,2,0,0|2,0,0]=4 14262 B14R2.4411 C=COCCSC1C2CCC1CC2 62a_100000039644_100009813300 [0,0,0,2,0,0|2,0,0]=4 14263 B14R2.4411 C=COCCSC1C2CCC1CC2 62a_100009813300_100000039644 [0,0,0,2,0,0|2,0,0]=4 14264 B14R2.4411 O=CCCCCN1C2CCC1CC2 2230a_100000735658_100000139335 [0,0,0,2,0,0|2,0,0]=4 14265 B14R2.4411 O=CCCCCN1C2CCC1CC2 269982a_100000735658_100000139335 [0,0,0,2,0,0|2,0,0]=4 14266 B14R2.4411 O=CCCCSC1C2CCC1CC2 62a_100009813300_200011292268 [0,0,0,2,0,0|2,0,0]=4 14267 B14R2.4411 O=CCCCSC1C2CCC1CC2 62a_200011292268_100009813300 [0,0,0,2,0,0|2,0,0]=4 14268 B14R2.7150 CCOC1CCCC2C1CCCC2 34a_100000042559_100000210202 [0,0,0,2,0,0|1,0,1]=4 14269 B14R2.7150 CCOC1CCCC2C1CCCC2 7a_100000042559_100000210202 [0,0,0,2,0,0|1,0,1]=4 14270 B14R2.7150 FCOC1CCCC2C1CCCC2 34a_100000042559_100015361967 [0,0,0,2,0,0|1,0,1]=4 14271 B14R2.7150 FCOC1CCCC2C1CCCC2 7a_100000042559_100015361967 [0,0,0,2,0,0|1,0,1]=4 14272 B14R2.7150 O=CCN1CCCC2C1CCCC2 2230a_100000211887_200015260668 [0,0,0,2,0,0|2,0,0]=4 14273 B14R2.7150 O=CCN1CCCC2C1CCCC2 269982a_100000211887_200015260668 [0,0,0,2,0,0|2,0,0]=4 14274 B14R2.7150 O=CCN1CCCC2C1CCCC2 34a_100000211887_200009817547 [0,0,0,2,0,0|2,0,0]=4 14275 B14R2.10953 C=COCCCNC1CC2CC2C1 270004a_100000210767_100010340937 [0,0,0,2,0,0|2,0,0]=4 14276 B14R2.10953 O=CCCCCCN1CC2CC2C1 2230a_100000741873_100000139337 [0,0,0,2,0,0|2,0,0]=4 14277 B14R2.10953 O=CCCCCCN1CC2CC2C1 269982a_100000741873_100000139337 [0,0,0,2,0,0|2,0,0]=4 14278 B14R2.13702 C=COCCCNC1CCC2C1C2 269862a_100000210767_100000692480 [0,0,0,2,0,0|2,0,0]=4 14279 B14R2.13702 C=COCCCNC1CCC2C1C2 270004a_100000210767_100000692480 [0,0,0,2,0,0|2,0,0]=4 14280 B14R2.48 O=C1CCCCCC1N2CCCC2 269982a_100000188435_100000243696 [0,0,0,2,0,0|2,0,0]=4 14281 B14R2.48 O=C1NCCCCC1N2CCCC2 2230a_100000188435_100000735217 [0,0,0,2,0,0|2,0,0]=4 14282 B14R2.48 O=C1NCCCCC1N2CCCC2 269982a_100000188435_100000735217 [0,0,0,2,0,0|2,0,0]=4 14283 B14R2.635 CC1CCN1C2CCCCCC2=O 269982a_100000755817_100000243696 [0,0,0,2,0,0|2,0,0]=4 14284 B14R2.635 CC1CCN1C2CCCCNC2=O 269982a_100000755817_100000735217 [0,0,0,2,0,0|2,0,0]=4 14285 B14R2.5536 O=C1CCCCCC1SCC2CC2 62a_100000243696_100000742324 [0,0,0,2,0,0|2,0,0]=4 14286 B14R2.5536 O=C1CCCCCC1SCC2CC2 62a_100000756562_100000243696 [0,0,0,2,0,0|2,0,0]=4 14287 B14R2.5536 O=C1NCCCCC1NCC2CC2 2230a_100000698827_100000742324 [0,0,0,2,0,0|2,0,0]=4 14288 B14R2.5536 O=C1NCCCCC1NCC2CC2 2230a_100000735609_100000735217 [0,0,0,2,0,0|2,0,0]=4 14289 B14R2.5536 O=C1NCCCCC1NCC2CC2 269862a_100000698827_100000741477 [0,0,0,2,0,0|2,0,0]=4 14290 B14R2.5536 O=C1NCCCCC1NCC2CC2 34a_100000698827_100000742324 [0,0,0,2,0,0|2,0,0]=4 14291 B14R2.5536 O=C1NCCCCC1SCC2CC2 62a_100000735217_100000742324 [0,0,0,2,0,0|2,0,0]=4 14292 B14R2.5536 O=C1NCCCCC1SCC2CC2 62a_100000756562_100000735217 [0,0,0,2,0,0|2,0,0]=4 14293 B14R2.8160 O=C1CCCCCC1SC2CCC2 62a_100000243696_100000749161 [0,0,0,2,0,0|2,0,0]=4 14294 B14R2.8160 O=C1NCCCCC1NC2CCC2 2230a_100000749019_100000735217 [0,0,0,2,0,0|2,0,0]=4 14295 B14R2.8160 O=C1NCCCCC1NC2CCC2 270004a_100000698827_100000241760 [0,0,0,2,0,0|2,0,0]=4 14296 B14R2.8160 O=C1NCCCCC1NC2CCC2 34a_100000698827_100000749161 [0,0,0,2,0,0|2,0,0]=4 14297 B14R2.8160 O=C1NCCCCC1SC2CCC2 62a_100000735217_100000749161 [0,0,0,2,0,0|2,0,0]=4 14298 B14R2.112 CCOC1CCC2CCCCC2C1 34a_100000211317_100000210202 [0,0,0,2,0,0|1,0,1]=4 14299 B14R2.112 CCOC1CCC2CCCCC2C1 7a_100000211317_100000210202 [0,0,0,2,0,0|1,0,1]=4 14300 B14R2.112 FCOC1CCC2CCCCC2C1 34a_100000211317_100015361967 [0,0,0,2,0,0|1,0,1]=4 14301 B14R2.112 FCOC1CCC2CCCCC2C1 7a_100000211317_100015361967 [0,0,0,2,0,0|1,0,1]=4 14302 B14R2.112 O=CCN1CCC2CCCCC2C1 2230a_100000211783_200015260668 [0,0,0,2,0,0|2,0,0]=4 14303 B14R2.112 O=CCN1CCC2CCCCC2C1 269982a_100000211783_200015260668 [0,0,0,2,0,0|2,0,0]=4 14304 B14R2.112 O=CCN1CCC2CCCCC2C1 34a_100000211783_200009817547 [0,0,0,2,0,0|2,0,0]=4 14305 B14R2.148 CCC1CCCCN1C2CCC2=O 269982a_100000210034_100009892977 [0,0,0,2,0,0|2,0,0]=4 14306 B14R2.148 CCC1CCCCN1C2CCC2=O 34a_100000210034_100009892977 [0,0,0,2,0,0|2,0,0]=4 14307 B14R2.50 O=C1CCCCC1NC2CCCC2 34a_100000211070_100000754470 [0,0,0,2,0,0|2,0,0]=4 14308 B14R2.50 O=C1CCCCC1OC2CCCC2 34a_100000210269_100000754470 [0,0,0,2,0,0|2,0,0]=4 14309 B14R2.50 O=C1CCCCC1OC2CCCC2 34a_100011214950_100000179811 [0,0,0,2,0,0|2,0,0]=4 14310 B14R2.50 O=C1CCCCC1OC2CCCC2 7a_100000210269_100000204591 [0,0,0,2,0,0|2,0,0]=4 14311 B14R2.50 O=C1CCCCC1SC2CCCC2 62a_100000204591_100000179811 [0,0,0,2,0,0|2,0,0]=4 14312 B14R2.50 O=C1CCCCC1SC2CCCC2 62a_100011217020_100000204591 [0,0,0,2,0,0|2,0,0]=4 14313 B14R2.50 O=C1NCCCC1NC2CCCC2 2230a_100000211070_100000687798 [0,0,0,2,0,0|2,0,0]=4 14314 B14R2.50 O=C1NCCCC1NC2CCCC2 2230a_100000747585_100000179811 [0,0,0,2,0,0|2,0,0]=4 14315 B14R2.50 O=C1NCCCC1NC2CCCC2 270004a_100000747585_100000210133 [0,0,0,2,0,0|2,0,0]=4 14316 B14R2.50 O=C1NCCCC1NC2CCCC2 34a_100000211070_100000687798 [0,0,0,2,0,0|2,0,0]=4 14317 B14R2.50 O=C1NCCCC1NC2CCCC2 34a_100000747585_100000179811 [0,0,0,2,0,0|2,0,0]=4 14318 B14R2.50 O=C1NCCCC1OC2CCCC2 34a_100000073722_100000179811 [0,0,0,2,0,0|2,0,0]=4 14319 B14R2.50 O=C1NCCCC1OC2CCCC2 34a_100000210269_100000687798 [0,0,0,2,0,0|2,0,0]=4 14320 B14R2.50 O=C1NCCCC1OC2CCCC2 7a_100000210269_100000687798 [0,0,0,2,0,0|2,0,0]=4 14321 B14R2.50 O=C1NCCCC1SC2CCCC2 62a_100000687798_100000179811 [0,0,0,2,0,0|2,0,0]=4 14322 B14R2.50 O=C1NCCCC1SC2CCCC2 62a_100011217020_100000687798 [0,0,0,2,0,0|2,0,0]=4 14323 B14R2.245 O=CCN1CCCC1C2CCCC2 2230a_100000743374_200015260668 [0,0,0,2,0,0|2,0,0]=4 14324 B14R2.245 O=CCN1CCCC1C2CCCC2 269982a_100000743374_200015260668 [0,0,0,2,0,0|2,0,0]=4 14325 B14R2.245 O=CCN1CCCC1C2CCCC2 34a_100000743374_200009817547 [0,0,0,2,0,0|2,0,0]=4 14326 B14R2.384 O=C1CCCC1NCC2CCCC2 2230a_100000737975_100000211823 [0,0,0,2,0,0|2,0,0]=4 14327 B14R2.384 O=C1CCCC1NCC2CCCC2 34a_100000737975_100000709159 [0,0,0,2,0,0|2,0,0]=4 14328 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_100000742336_100000709159 [0,0,0,2,0,0|2,0,0]=4 14329 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_200000719330_100000740388 [0,0,0,2,0,0|2,0,0]=4 14330 B14R2.384 O=C1CCCC1OCC2CCCC2 7a_100000742336_100000211823 [0,0,0,2,0,0|2,0,0]=4 14331 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000211823_100000740388 [0,0,0,2,0,0|2,0,0]=4 14332 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000740388_100000211823 [0,0,0,2,0,0|2,0,0]=4 14333 B14R2.384 O=C1NCCC1COC2CCCC2 34a_100000133458_100000179811 [0,0,0,2,0,0|2,0,0]=4 14334 B14R2.384 O=C1NCCC1NCC2CCCC2 2230a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 14335 B14R2.384 O=C1NCCC1NCC2CCCC2 34a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 14336 B14R2.384 O=C1NCC[C@@H]1OCC2CCCC2 34a_100000688343_100000740388 [0,0,0,2,0,0|2,0,0]=4 14337 B14R2.384 O=C1OCCC1NCC2CCCC2 2230a_100000737975_100000211211 [0,0,0,2,0,0|1,0,0]=3 14338 B14R2.384 O=C1OCCC1NCC2CCCC2 34a_100000737975_100000211211 [0,0,0,2,0,0|1,0,0]=3 14339 B14R2.384 O=C1OCCC1NCC2CCOC2 2230a_100000737293_100000211211 [0,0,0,2,0,0|2,0,0]=4 14340 B14R2.384 O=C1OCCC1NCC2CCOC2 34a_100000737293_100000211211 [0,0,0,2,0,0|2,0,0]=4 14341 B14R2.384 O=C1OCCC1NC[C@@H]2CCCO2 2230a_100020590478_100000211211 [0,0,0,2,0,0|2,0,0]=4 14342 B14R2.384 O=C1OCCC1NC[C@@H]2CCCO2 34a_100020590478_100000211211 [0,0,0,2,0,0|2,0,0]=4 14343 B14R2.384 O=C1OCCC1OCC2CCCC2 34a_100000742336_100000211211 [0,0,0,2,0,0|1,0,0]=3 14344 B14R2.384 O=C1OCCC1OCC2CCCC2 7a_100000742336_100000211211 [0,0,0,2,0,0|1,0,0]=3 14345 B14R2.384 O=C1OCCC1OCC2CCCO2 34a_100000210270_100000211211 [0,0,0,2,0,0|2,0,0]=4 14346 B14R2.384 O=C1OCCC1OCC2CCCO2 7a_100000210270_100000211211 [0,0,0,2,0,0|2,0,0]=4 14347 B14R2.384 O=C1OCCC1OCC2CCNC2 34a_100000748654_100000211211 [0,0,0,2,0,0|2,0,0]=4 14348 B14R2.384 O=C1OCCC1OCC2CCOC2 34a_100000740260_100000211211 [0,0,0,2,0,0|2,0,0]=4 14349 B14R2.384 O=C1OCCC1OC[C@H]2CCCN2 34a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 14350 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000211211_100000740388 [0,0,0,2,0,0|1,0,0]=3 14351 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000740388_100000211211 [0,0,0,2,0,0|1,0,0]=3 14352 B14R2.384 O=C1OCCC1SCC2CCCO2 62a_100000203698_100000211211 [0,0,0,2,0,0|2,0,0]=4 14353 B14R2.384 O=C1OCCC1SCC2CCCO2 62a_100000211211_100000203698 [0,0,0,2,0,0|2,0,0]=4 14354 B14R2.384 O=C1OCCC1SCC2CCOC2 62a_100000211211_100000702531 [0,0,0,2,0,0|2,0,0]=4 14355 B14R2.384 O=C1OCCC1SCC2CCOC2 62a_100000702531_100000211211 [0,0,0,2,0,0|2,0,0]=4 14356 B14R2.726 O=C1CCC1CCNC2CCCC2 2230a_100000211070_200016118888 [0,0,0,2,0,0|2,0,0]=4 14357 B14R2.726 O=C1CCC1CCOC2CCCC2 7a_100000210269_200016118888 [0,0,0,2,0,0|2,0,0]=4 14358 B14R2.726 O=C1CCC1CCSC2CCCC2 62a_100011217020_200016118888 [0,0,0,2,0,0|2,0,0]=4 14359 B14R2.726 O=C1CCC1CCSC2CCCC2 62a_200016118888_100000179811 [0,0,0,2,0,0|2,0,0]=4 14360 B14R2.726 O=C1CCC1NCCC2CCCC2 34a_100000739158_100009892977 [0,0,0,2,0,0|2,0,0]=4 14361 B14R2.726 O=C1CCC1OCCC2CCCC2 34a_100000749090_100009892977 [0,0,0,2,0,0|2,0,0]=4 14362 B14R2.726 O=C1CCC1OCCC2CCCC2 7a_100000749090_100009892977 [0,0,0,2,0,0|2,0,0]=4 14363 B14R2.726 O=C1CCC1SCCC2CCCC2 62a_100000760354_100009892977 [0,0,0,2,0,0|2,0,0]=4 14364 B14R2.726 O=C1CCC1SCCC2CCCC2 62a_100009892977_100000760354 [0,0,0,2,0,0|2,0,0]=4 14365 B14R2.9707 C=COCCNC1CC2CCC1C2 2230a_100000758229_100000039644 [0,0,0,2,0,0|2,0,0]=4 14366 B14R2.9707 C=COCCNC1CC2CCC1C2 34a_100000758229_100000039644 [0,0,0,2,0,0|2,0,0]=4 14367 B14R2.9707 C=COCCOC1CC2CCC1C2 34a_100000033082_100000727232 [0,0,0,2,0,0|2,0,0]=4 14368 B14R2.9707 C=COCCOC1CC2CCC1C2 34a_100000211339_100000039644 [0,0,0,2,0,0|2,0,0]=4 14369 B14R2.9707 C=COCCSC1CC2CCC1C2 62a_100000039644_100000727232 [0,0,0,2,0,0|2,0,0]=4 14370 B14R2.9707 C=COCCSC1CC2CCC1C2 62a_100000727232_100000039644 [0,0,0,2,0,0|2,0,0]=4 14371 B14R2.9707 O=CCCCCN1CC2CCC1C2 2230a_100000743476_100000139335 [0,0,0,2,0,0|2,0,0]=4 14372 B14R2.9707 O=CCCCCN1CC2CCC1C2 269982a_100000743476_100000139335 [0,0,0,2,0,0|2,0,0]=4 14373 B14R2.9707 O=CCCCNC1CC2CCC1C2 2230a_100000758229_200011292268 [0,0,0,2,0,0|2,0,0]=4 14374 B14R2.9707 O=CCCCSC1CC2CCC1C2 62a_100000727232_200011292268 [0,0,0,2,0,0|2,0,0]=4 14375 B14R2.9707 O=CCCCSC1CC2CCC1C2 62a_200011292268_100000727232 [0,0,0,2,0,0|2,0,0]=4 14376 B14R2.170 CCC1CCCN1C2CCCC2=O 2230a_100000754278_100000211823 [0,0,0,2,0,0|2,0,0]=4 14377 B14R2.170 CCC1CCCN1C2CCCC2=O 269982a_100000754278_100000211823 [0,0,0,2,0,0|2,0,0]=4 14378 B14R2.170 CCC1CCCN1C2CCCC2=O 34a_100000754278_100000709159 [0,0,0,2,0,0|2,0,0]=4 14379 B14R2.170 CCC1CCCN1C2CCOC2=O 2230a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 14380 B14R2.170 CCC1CCCN1C2CCOC2=O 269982a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 14381 B14R2.170 CCC1CCCN1C2CCOC2=O 34a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 14382 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 2230a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 14383 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 269982a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 14384 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 34a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 14385 B14R2.332 O=CCCCCN1CCCC12CC2 2230a_100020620911_100000139335 [0,0,0,2,0,0|2,0,0]=4 14386 B14R2.332 O=CCCCCN1CCCC12CC2 269982a_100020620911_100000139335 [0,0,0,2,0,0|2,0,0]=4 14387 B14R2.991 O=CCOC1CCC2CCCC2C1 34a_100000073670_200009817547 [0,0,0,2,0,0|2,0,0]=4 14388 B14R2.991 O=CCOC1CCC2CCCC2C1 7a_100000073670_200015260668 [0,0,0,2,0,0|2,0,0]=4 14389 B14R2.492 COCC1CCN1C2CCOC2=O 2230a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 14390 B14R2.492 COCC1CCN1C2CCOC2=O 269982a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 14391 B14R2.492 COCC1CCN1C2CCOC2=O 34a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 14392 B14R2.294 CC1CC1COC2CCCCC2=O 34a_100000744939_100000754470 [0,0,0,2,0,0|2,0,0]=4 14393 B14R2.294 CC1CC1COC2CCCCC2=O 7a_100000744939_100000204591 [0,0,0,2,0,0|2,0,0]=4 14394 B14R2.294 CC1CC1COC2CCCNC2=O 34a_100000744939_100000687798 [0,0,0,2,0,0|2,0,0]=4 14395 B14R2.294 CC1CC1COC2CCCNC2=O 7a_100000744939_100000687798 [0,0,0,2,0,0|2,0,0]=4 14396 B14R2.296 CC1CCCCN1C2CCCC2=O 2230a_100000211376_100000211823 [0,0,0,2,0,0|2,0,0]=4 14397 B14R2.296 CC1CCCCN1C2CCCC2=O 269982a_100000211376_100000211823 [0,0,0,2,0,0|2,0,0]=4 14398 B14R2.296 CC1CCCCN1C2CCCC2=O 34a_100000211376_100000709159 [0,0,0,2,0,0|2,0,0]=4 14399 B14R2.296 CC1CCCCN1C2CCOC2=O 2230a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 14400 B14R2.296 CC1CCCCN1C2CCOC2=O 269982a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 14401 B14R2.296 CC1CCCCN1C2CCOC2=O 34a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 14402 B14R2.296 C[C@@H]1CCCN1C2CCCCC2=O 269982a_100015189458_100000204591 [0,0,0,2,0,0|2,0,0]=4 14403 B14R2.296 C[C@@H]1CCCN1C2CCCCC2=O 34a_100015189458_100000754470 [0,0,0,2,0,0|2,0,0]=4 14404 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 2230a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 14405 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 269982a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 14406 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 34a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 14407 B14R2.296 C[C@H]1CCCN1C2CCCCC2=O 269982a_100020605311_100000204591 [0,0,0,2,0,0|2,0,0]=4 14408 B14R2.296 C[C@H]1CCCN1C2CCCNC2=O 2230a_100020605311_100000687798 [0,0,0,2,0,0|2,0,0]=4 14409 B14R2.296 C[C@H]1CCCN1C2CCCNC2=O 269982a_100020605311_100000687798 [0,0,0,2,0,0|2,0,0]=4 14410 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 2230a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 14411 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 269982a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 14412 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 34a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 14413 B14R2.662 CC1CCCCC1NC2CCC2=O 34a_100000211402_100009892977 [0,0,0,2,0,0|2,0,0]=4 14414 B14R2.662 CC1CCCCC1OC2CCC2=O 34a_100000211207_100009892977 [0,0,0,2,0,0|2,0,0]=4 14415 B14R2.662 CC1CCCCC1OC2CCC2=O 7a_100000211207_100009892977 [0,0,0,2,0,0|2,0,0]=4 14416 B14R2.4622 O=C1CCCCC1COCC2CC2 34a_100009861125_100000742324 [0,0,0,2,0,0|2,0,0]=4 14417 B14R2.4622 O=C1CCCCC1COCC2CC2 7a_100009861125_100000742324 [0,0,0,2,0,0|2,0,0]=4 14418 B14R2.4622 O=C1CCCCC1NCCC2CC2 34a_100000764129_100000754470 [0,0,0,2,0,0|2,0,0]=4 14419 B14R2.4622 O=C1CCCCC1OCCC2CC2 34a_100000754188_100000754470 [0,0,0,2,0,0|2,0,0]=4 14420 B14R2.4622 O=C1CCCCC1OCCC2CC2 34a_100011214950_100000694398 [0,0,0,2,0,0|2,0,0]=4 14421 B14R2.4622 O=C1CCCCC1OCCC2CC2 7a_100000754188_100000204591 [0,0,0,2,0,0|2,0,0]=4 14422 B14R2.4622 O=C1CCCCC1SCCC2CC2 62a_100000204591_100000764125 [0,0,0,2,0,0|2,0,0]=4 14423 B14R2.4622 O=C1CCCCC1SCCC2CC2 62a_100000764125_100000204591 [0,0,0,2,0,0|2,0,0]=4 14424 B14R2.4622 O=C1NCCCC1NCCC2CC2 2230a_100000747585_100000694398 [0,0,0,2,0,0|2,0,0]=4 14425 B14R2.4622 O=C1NCCCC1NCCC2CC2 34a_100000747585_100000694398 [0,0,0,2,0,0|2,0,0]=4 14426 B14R2.4622 O=C1NCCCC1NCCC2CC2 34a_100000764129_100000687798 [0,0,0,2,0,0|2,0,0]=4 14427 B14R2.4622 O=C1NCCCC1OCCC2CC2 34a_100000073722_100000694398 [0,0,0,2,0,0|2,0,0]=4 14428 B14R2.4622 O=C1NCCCC1OCCC2CC2 34a_100000754188_100000687798 [0,0,0,2,0,0|2,0,0]=4 14429 B14R2.4622 O=C1NCCCC1OCCC2CC2 7a_100000754188_100000687798 [0,0,0,2,0,0|2,0,0]=4 14430 B14R2.4622 O=C1NCCCC1SCCC2CC2 62a_100000687798_100000764125 [0,0,0,2,0,0|2,0,0]=4 14431 B14R2.4622 O=C1NCCCC1SCCC2CC2 62a_100000764125_100000687798 [0,0,0,2,0,0|2,0,0]=4 14432 B14R2.4634 O=C1CCCCC1COC2CCC2 34a_100009861125_100000749161 [0,0,0,2,0,0|2,0,0]=4 14433 B14R2.4634 O=C1CCCCC1NCC2CCC2 34a_100000738700_100000754470 [0,0,0,2,0,0|2,0,0]=4 14434 B14R2.4634 O=C1CCCCC1OCC2CCC2 34a_100000760304_100000754470 [0,0,0,2,0,0|2,0,0]=4 14435 B14R2.4634 O=C1CCCCC1OCC2CCC2 34a_100011214950_100000763275 [0,0,0,2,0,0|2,0,0]=4 14436 B14R2.4634 O=C1CCCCC1SCC2CCC2 62a_100000204591_100000763275 [0,0,0,2,0,0|2,0,0]=4 14437 B14R2.4634 O=C1CCCCC1SCC2CCC2 62a_100000763275_100000204591 [0,0,0,2,0,0|2,0,0]=4 14438 B14R2.4634 O=C1NCCCC1NCC2CCC2 2230a_100000738700_100000687798 [0,0,0,2,0,0|2,0,0]=4 14439 B14R2.4634 O=C1NCCCC1NCC2CCC2 2230a_100000747585_100000763275 [0,0,0,2,0,0|2,0,0]=4 14440 B14R2.4634 O=C1NCCCC1NCC2CCC2 34a_100000738700_100000687798 [0,0,0,2,0,0|2,0,0]=4 14441 B14R2.4634 O=C1NCCCC1NCC2CCC2 34a_100000747585_100000763275 [0,0,0,2,0,0|2,0,0]=4 14442 B14R2.4634 O=C1NCCCC1OCC2CCC2 34a_100000073722_100000763275 [0,0,0,2,0,0|2,0,0]=4 14443 B14R2.4634 O=C1NCCCC1OCC2CCC2 34a_100000760304_100000687798 [0,0,0,2,0,0|2,0,0]=4 14444 B14R2.4634 O=C1NCCCC1SCC2CCC2 62a_100000687798_100000763275 [0,0,0,2,0,0|2,0,0]=4 14445 B14R2.4634 O=C1NCCCC1SCC2CCC2 62a_100000763275_100000687798 [0,0,0,2,0,0|2,0,0]=4 14446 B14R2.406 CC1CC1COCCC2CCC2=O 7a_100000744939_200016118888 [0,0,0,2,0,0|2,0,0]=4 14447 B14R2.5216 O=C1NCCC1COCC2CCC2 34a_100000133458_100000763275 [0,0,0,2,0,0|2,0,0]=4 14448 B14R2.5216 O=C1OCCC1OCCC2COC2 34a_100009855314_100000211211 [0,0,0,2,0,0|2,0,0]=4 14449 B14R2.5515 O=C1CCC1CCNCC2CCC2 2230a_100000738700_200016118888 [0,0,0,2,0,0|2,0,0]=4 14450 B14R2.5515 O=C1CCC1CCSCC2CCC2 62a_100000763275_200016118888 [0,0,0,2,0,0|2,0,0]=4 14451 B14R2.5515 O=C1CCC1CCSCC2CCC2 62a_200016118888_100000763275 [0,0,0,2,0,0|2,0,0]=4 14452 B14R2.144 C=COCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000039644 [0,0,0,2,0,0|2,0,0]=4 14453 B14R2.144 C=COCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000039644 [0,0,0,2,0,0|2,0,0]=4 14454 B14R2.144 C=COCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000039644 [0,0,0,2,0,0|2,0,0]=4 14455 B14R2.144 O=CCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200011292268 [0,0,0,2,0,0|2,0,0]=4 14456 B14R2.144 O=CCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200011292268 [0,0,0,2,0,0|2,0,0]=4 14457 B14R2.309 CC1CCCC1OC2CCCC2=O 34a_100011216460_100000709159 [0,0,0,2,0,0|2,0,0]=4 14458 B14R2.309 CC1CCCC1OC2CCCC2=O 7a_100011216460_100000211823 [0,0,0,2,0,0|2,0,0]=4 14459 B14R2.309 CC1CCCC1OC2CCOC2=O 34a_100011216460_100000211211 [0,0,0,2,0,0|1,0,0]=3 14460 B14R2.309 CC1CCCC1OC2CCOC2=O 7a_100011216460_100000211211 [0,0,0,2,0,0|1,0,0]=3 14461 B14R2.309 C[C@@H]1CNC[C@@H]1OC2CCOC2=O 34a_200015306588_100000211211 [0,0,0,2,0,0|2,0,0]=4 14462 B14R2.309 N[C@H]1CCC[C@@H]1OC2CCOC2=O 34a_100000748460_100000211211 [0,0,0,2,0,0|2,0,0]=4 14463 B14R2.309 O=C1OCCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000211211 [0,0,0,2,0,0|2,0,0]=4 14464 B14R2.309 O=C1OCCC1S[C@@H]2CCC[C@H]2O 62a_100000211211_200016002552 [0,0,0,2,0,0|2,0,0]=4 14465 B14R2.309 O=C1OCCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000211211 [0,0,0,2,0,0|2,0,0]=4 14466 B14R2.319 C[C@@H]1CCCN1CCC2CCC2=O 2230a_100015189458_200016118888 [0,0,0,2,0,0|2,0,0]=4 14467 B14R2.319 C[C@@H]1CCCN1CCC2CCC2=O 269982a_100015189458_200016118888 [0,0,0,2,0,0|2,0,0]=4 14468 B14R2.319 C[C@H]1CCCN1CCC2CCC2=O 2230a_100020605311_200016118888 [0,0,0,2,0,0|2,0,0]=4 14469 B14R2.319 C[C@H]1CCCN1CCC2CCC2=O 269982a_100020605311_200016118888 [0,0,0,2,0,0|2,0,0]=4 14470 B14R2.4734 O=C1NCCC1COCCC2CC2 34a_100000133458_100000694398 [0,0,0,2,0,0|2,0,0]=4 14471 B14R2.4734 O=C1OCCC1OCCNC2CC2 34a_100000738766_100000211211 [0,0,0,2,0,0|2,0,0]=4 14472 B14R2.4734 O=C1OCCC1SCCCC2CO2 62a_100000211211_100000733510 [0,0,0,2,0,0|2,0,0]=4 14473 B14R2.4734 O=C1OCCC1SCCCC2CO2 62a_100000733510_100000211211 [0,0,0,2,0,0|2,0,0]=4 14474 B14R2.5202 O=C1CCCC1N2CCCCCC2 2230a_100000185865_100000211823 [0,0,0,2,0,0|2,0,0]=4 14475 B14R2.5202 O=C1CCCC1N2CCCCCC2 269982a_100000185865_100000211823 [0,0,0,2,0,0|2,0,0]=4 14476 B14R2.5202 O=C1CCCC1N2CCCCCC2 34a_100000185865_100000709159 [0,0,0,2,0,0|2,0,0]=4 14477 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 14478 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 14479 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 14480 B14R2.5202 O=C1OCCC1N2CCCOCC2 2230a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 14481 B14R2.5202 O=C1OCCC1N2CCCOCC2 269982a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 14482 B14R2.5202 O=C1OCCC1N2CCCOCC2 34a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 14483 B14R2.9145 O=C1CCC1CCOCCC2CC2 7a_100000754188_200016118888 [0,0,0,2,0,0|2,0,0]=4 14484 B14R2.9145 O=C1CCC1CCSCCC2CC2 62a_100000764125_200016118888 [0,0,0,2,0,0|2,0,0]=4 14485 B14R2.9145 O=C1CCC1CCSCCC2CC2 62a_200016118888_100000764125 [0,0,0,2,0,0|2,0,0]=4 14486 B14R2.9618 C=COCCN1CCCC1C2CC2 2230a_200000757794_100000039644 [0,0,0,2,0,0|2,0,0]=4 14487 B14R2.9618 C=COCCN1CCCC1C2CC2 269982a_200000757794_100000039644 [0,0,0,2,0,0|2,0,0]=4 14488 B14R2.9618 C=COCCN1CCCC1C2CC2 34a_200000757794_100000039644 [0,0,0,2,0,0|2,0,0]=4 14489 B14R2.9618 O=CCCCN1CCCC1C2CC2 2230a_200000757794_200011292268 [0,0,0,2,0,0|2,0,0]=4 14490 B14R2.9618 O=CCCCN1CCCC1C2CC2 269982a_200000757794_200011292268 [0,0,0,2,0,0|2,0,0]=4 14491 B14R2.5498 O=C1CCC1NC2CCCCCC2 34a_100000210984_100009892977 [0,0,0,2,0,0|2,0,0]=4 14492 B14R2.5498 O=C1CCC1OC2CCCCCC2 34a_100000210887_100009892977 [0,0,0,2,0,0|2,0,0]=4 14493 B14R2.5498 O=C1CCC1OC2CCCCCC2 7a_100000210887_100009892977 [0,0,0,2,0,0|2,0,0]=4 14494 B14R2.5498 O=C1CCC1SC2CCCCCC2 62a_100009892977_100011217769 [0,0,0,2,0,0|2,0,0]=4 14495 B14R2.5498 O=C1CCC1SC2CCCCCC2 62a_100011217769_100009892977 [0,0,0,2,0,0|2,0,0]=4 14496 B14R2.8102 O=C1CCC1N2CCCCCCC2 269982a_100000211400_100009892977 [0,0,0,2,0,0|2,0,0]=4 14497 B14R2.8102 O=C1CCC1N2CCCCCCC2 34a_100000211400_100009892977 [0,0,0,2,0,0|2,0,0]=4 14498 B14R2.32000 O=CCNCC12CCCC1CCC2 2230a_100159271432_200015260668 [0,0,0,2,0,0|2,0,0]=4 14499 B14R2.32000 O=CCNCC12CCCC1CCC2 34a_100159271432_200009817547 [0,0,0,2,0,0|2,0,0]=4