0 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [0,0,0,0,0,0|2,0,1]=3 21 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,0,0,0,0,0|1,0,2]=3 31 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [0,0,0,0,0,0|2,0,1]=3 34 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,0,0,0,0,0|1,0,2]=3 41 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [0,0,0,0,0,0|2,0,1]=3 43 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [0,0,0,0,0,0|2,0,1]=3 64 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,0,0,0,0,0|1,0,2]=3 69 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,0,0,0,0,0|1,0,2]=3 70 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [0,0,0,0,0,0|2,0,1]=3 71 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [0,0,0,0,0,0|2,0,1]=3 72 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [0,0,0,0,0,0|2,0,1]=3 73 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [0,0,0,0,0,0|2,0,1]=3 74 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,0,0,0,0,0|1,0,2]=3 82 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,0,0,0,0,0|1,0,2]=3 83 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,0,0,0,0,0|1,0,2]=3 84 B11R0.3 C#CCCCCNCCOC=C 2230a_100000706060_100000039644 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.3 C#CCCCCNCCOC=C 34a_100000706060_100000039644 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,0,0,0,0,0|2,0,1]=3 88 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,0,0,0,0,0|2,0,1]=3 89 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,0,0,0,0,0|2,0,1]=3 90 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,0,0,0,0,0|2,0,2]=4 92 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,0,0,0,0,0|2,0,2]=4 93 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,0,0,0,0,0|2,0,2]=4 95 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,0,0,0,0,0|2,0,2]=4 96 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,0,0,0,0,0|1,0,2]=3 105 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,0,0,0,0,0|1,0,2]=3 106 B11R0.3 C#CCCCCOCCOC=C 34a_100000033082_100010269958 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.3 C#CCCCCOCCOC=C 34a_100000766709_100000039644 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.3 C#CCCCCOCCOC=C 7a_100000766709_100000039644 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [0,0,0,0,0,0|2,0,1]=3 110 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,0,0,0,0,0|3,0,1]=4 112 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,0,0,0,0,0|2,0,2]=4 114 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,0,0,0,0,0|2,0,2]=4 115 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,0,0,0,0,0|1,0,2]=3 118 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,0,0,0,0,0|1,0,2]=3 119 B11R0.3 C#CCCCCSCCOC=C 62a_100000039644_100010269958 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.3 C#CCCCCSCCOC=C 62a_100010269958_100000039644 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [0,0,0,0,0,0|2,0,1]=3 122 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [0,0,0,0,0,0|2,0,1]=3 123 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [0,0,0,0,0,0|2,0,1]=3 124 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,0,0,0,0,0|2,0,2]=4 127 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,0,0,0,0,0|1,0,2]=3 129 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,0,0,0,0,0|1,0,2]=3 130 B11R0.3 C#CCCCNCCCOC=C 2230a_100000210767_100000731252 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.3 C#CCCCNCCCOC=C 34a_100000210767_100000695029 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.3 C#CCCCNCCOCCO 2230a_100000211614_100000731252 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.3 C#CCCCNCCOCCO 34a_100000211614_100000695029 [0,0,0,0,0,0|2,0,2]=4 134 B11R0.3 C#CCCCNCCOCCO 34a_100000718082_100000692535 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.3 C#CCCCNCCSCCO 2230a_100011219999_100000731252 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,0,0,0,0,0|2,0,1]=3 137 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,0,0,0,0,0|2,0,1]=3 138 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,0,0,0,0,0|2,0,1]=3 139 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,0,0,0,0,0|2,0,1]=3 140 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,0,0,0,0,0|3,0,1]=4 141 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,0,0,0,0,0|1,0,2]=3 155 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,0,0,0,0,0|1,0,2]=3 156 B11R0.3 C#CCCCOCCOCC=C 34a_100000037705_100000695029 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.3 C#CCCCOCCOCC=C 7a_100000037705_100011215417 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [0,0,0,0,0,0|2,0,1]=3 161 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [0,0,0,0,0,0|2,0,1]=3 162 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,0,0,0,0,0|3,0,1]=4 164 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,0,0,0,0,0|2,0,2]=4 167 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,0,0,0,0,0|2,0,2]=4 168 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,0,0,0,0,0|1,0,2]=3 169 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,0,0,0,0,0|1,0,2]=3 170 B11R0.3 C#CCCCSCCOCCO 62a_100011215305_100011215417 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.3 C#CCCCSCCOCCO 62a_100011215417_100011215305 [0,0,0,0,0,0|2,0,2]=4 172 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [0,0,0,0,0,0|2,0,1]=3 173 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,0,0,0,0,0|2,0,2]=4 174 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,0,0,0,0,0|2,0,2]=4 175 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,0,0,0,0,0|1,0,2]=3 177 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,0,0,0,0,0|1,0,2]=3 178 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,0,0,0,0,0|1,0,2]=3 179 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,0,0,0,0,0|2,0,1]=3 180 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,0,0,0,0,0|2,0,1]=3 181 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,0,0,0,0,0|2,0,1]=3 182 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,0,0,0,0,0|2,0,2]=4 184 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,0,0,0,0,0|2,0,2]=4 187 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,0,0,0,0,0|2,0,2]=4 188 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,0,0,0,0,0|2,0,2]=4 189 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,0,0,0,0,0|1,0,2]=3 194 B11R0.3 C#CCCOCCCCOC=C 34a_100000031558_100000688953 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.3 C#CCCOCCCCOC=C 7a_100000031558_100000688953 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [0,0,0,0,0,0|2,0,1]=3 197 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [0,0,0,0,0,0|2,0,1]=3 198 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,0,0,0,0,0|2,0,2]=4 201 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,0,0,0,0,0|2,0,2]=4 204 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,0,0,0,0,0|1,0,2]=3 205 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,0,0,0,0,0|1,0,2]=3 206 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [0,0,0,0,0,0|2,0,1]=3 207 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,0,0,0,0,0|2,0,2]=4 209 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,0,0,0,0,0|2,0,2]=4 210 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,0,0,0,0,0|1,0,2]=3 211 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,0,0,0,0,0|1,0,2]=3 212 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,0,0,0,0,0|1,0,2]=3 213 B11R0.3 C#CCNCCCOCCCO 2230a_100011310245_100000038162 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.3 C#CCNCCCOCCCO 34a_100011310245_100000184674 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [0,0,0,0,0,0|2,0,1]=3 216 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [0,0,0,0,0,0|2,0,1]=3 217 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [0,0,0,0,0,0|2,0,1]=3 218 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,0,0,0,0,0|1,0,2]=3 225 B11R0.3 C#CCOCCNCCCC=C 2230a_100000700776_100010402529 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.3 C#CCOCCNCCCC=C 2230a_100000700922_100011713584 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.3 C#CCOCCNCCCC=C 34a_100000700776_100010402529 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.3 C#CCOCCNCCCC=C 34a_100000700922_100000757094 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.3 C#CCOCCNCCCCO 2230a_100000700922_100000210776 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.3 C#CCOCCNCCCCO 2230a_100000750430_100010402529 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.3 C#CCOCCNCCCCO 34a_100000700922_100011216708 [0,0,0,0,0,0|2,0,2]=4 232 B11R0.3 C#CCOCCNCCCCO 34a_100000750430_100010402529 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.3 C#CCOCCOCCCC=C 34a_100000054580_100000757094 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.3 C#CCOCCOCCCC=C 34a_100000758997_100010402529 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.3 C#CCOCCOCCCC=C 7a_100000054580_100000757094 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.3 C#CCOCCOCCCC=C 7a_100000758997_100010402529 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.3 C#CCOCCSCCCC=C 62a_100010402529_100000757094 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.3 C#CCOCCSCCCC=C 62a_100011713584_100010402529 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.3 C#CCOCCSCCCCO 62a_100000210776_100010402529 [0,0,0,0,0,0|2,0,2]=4 242 B11R0.3 C#CCOCCSCCCCO 62a_100010402529_100000210776 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [0,0,0,0,0,0|2,0,1]=3 244 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,0,0,0,0,0|1,0,2]=3 246 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,0,0,0,0,0|2,0,2]=4 247 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,0,0,0,0,0|2,0,2]=4 248 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,0,0,0,0,0|1,0,2]=3 249 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,0,0,0,0,0|1,0,2]=3 251 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,0,0,0,0,0|2,0,2]=4 252 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 256 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,0,0,0,0,0|2,0,2]=4 257 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,0,0,0,0,0|2,0,2]=4 258 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,0,0,0,0,0|2,0,2]=4 259 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,0,0,0,0,0|2,0,2]=4 261 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,0,0,0,0,0|2,0,2]=4 262 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,0,0,0,0,0|1,0,2]=3 263 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,0,0,0,0|2,0,2]=4 264 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,0,0,0,0|2,0,2]=4 265 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,0,0,0,0,0|2,0,2]=4 266 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,0,0,0,0,0|2,0,2]=4 267 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,0,0,0,0,0|1,0,2]=3 268 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,0,0,0,0,0|1,0,2]=3 269 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [0,0,0,0,0,0|2,0,2]=4 270 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [0,0,0,0,0,0|2,0,2]=4 271 B11R0.3 C=CCCC/C=C/COCCF 34a_200016268473_100011217306 [0,0,0,0,0,0|2,0,2]=4 272 B11R0.3 C=CCCC/C=C/COCCF 7a_200016268473_100011217306 [0,0,0,0,0,0|2,0,2]=4 273 B11R0.3 C=CCCC/C=C/COCCO 34a_200016268473_100000211926 [0,0,0,0,0,0|1,0,2]=3 274 B11R0.3 C=CCCC/C=C/COCCO 7a_200016268473_100000211926 [0,0,0,0,0,0|1,0,2]=3 275 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,0,0,0,0,0|3,0,1]=4 276 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 277 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,0,0,0,0,0|2,0,0]=2 278 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 279 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 280 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,0,0,0,0,0|2,0,0]=2 281 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 282 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 283 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 284 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,0,0,0,0,0|2,0,0]=2 285 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,0,0,0,0,0|2,0,0]=2 286 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,0,0,0,0,0|2,0,0]=2 287 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,0,0,0,0,0|2,0,0]=2 288 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,0,0,0,0,0|2,0,0]=2 289 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,0,0,0,0,0|2,0,0]=2 290 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,0,0,0,0,0|2,0,0]=2 291 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,0,0,0,0,0|2,0,0]=2 292 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,0,0,0,0,0|2,0,0]=2 293 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,0,0,0,0,0|2,0,0]=2 294 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,0,0,0,0,0|2,0,0]=2 295 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,0,0,0,0,0|2,0,0]=2 296 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,0,0,0,0,0|2,0,0]=2 297 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,0,0,0,0,0|2,0,0]=2 298 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,0,0,0,0,0|2,0,1]=3 299 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,0,0,0,0,0|2,0,0]=2 300 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,0,0,0,0,0|1,0,0]=1 301 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,0,0,0,0,0|1,0,0]=1 302 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [0,0,0,0,0,0|2,0,1]=3 303 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [0,0,0,0,0,0|2,0,1]=3 304 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [0,0,0,0,0,0|2,0,1]=3 305 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [0,0,0,0,0,0|2,0,1]=3 306 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,0,0,0,0,0|1,0,2]=3 307 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,0,0,0,0,0|1,0,2]=3 308 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,0,0,0,0,0|2,0,0]=2 309 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,0,0,0,0,0|2,0,0]=2 310 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,0,0,0,0,0|2,0,0]=2 311 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,0,0,0,0,0|2,0,0]=2 312 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,0,0,0,0,0|2,0,0]=2 313 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,0,0,0,0,0|2,0,0]=2 314 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,0,0,0,0,0|2,0,0]=2 315 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,0,0,0,0,0|1,0,0]=1 316 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,0,0,0,0,0|1,0,0]=1 317 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,0,0,0,0,0|3,0,0]=3 318 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [0,0,0,0,0,0|2,0,1]=3 319 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [0,0,0,0,0,0|2,0,1]=3 320 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [0,0,0,0,0,0|2,0,1]=3 321 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [0,0,0,0,0,0|2,0,1]=3 322 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,0,0,0,0,0|1,0,2]=3 323 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,0,0,0,0,0|1,0,2]=3 324 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,0,0,0,0,0|2,0,0]=2 325 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,0,0,0,0,0|2,0,0]=2 326 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,0,0,0,0,0|2,0,0]=2 327 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,0,0,0,0,0|2,0,0]=2 328 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,0,0,0,0,0|1,0,0]=1 329 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,0,0,0,0,0|1,0,0]=1 330 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,0,0,0,0,0|3,0,0]=3 331 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,0,0,0,0,0|3,0,0]=3 332 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,0,0,0,0,0|3,0,0]=3 333 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,0,0,0,0,0|3,0,0]=3 334 B11R0.3 C=CCCCCCNCC#CC 2230a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 335 B11R0.3 C=CCCCCCNCC#CC 34a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 336 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [0,0,0,0,0,0|2,0,1]=3 337 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,0,0,0,0,0|2,0,0]=2 338 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,0,0,0,0,0|2,0,0]=2 339 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,0,0,0,0,0|2,0,0]=2 340 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,0,0,0,0,0|2,0,0]=2 341 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,0,0,0,0,0|3,0,0]=3 342 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,0,0,0,0,0|3,0,0]=3 343 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,0,0,0,0,0|2,0,2]=4 344 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,0,0,0,0,0|2,0,2]=4 345 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,0,0,0,0,0|2,0,2]=4 346 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 348 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 349 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,0,0,0,0,0|2,0,2]=4 350 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,0,0,0,0,0|2,0,2]=4 351 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,0,0,0,0,0|2,0,1]=3 352 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,0,0,0,0,0|2,0,1]=3 354 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,0,0,0,0,0|2,0,1]=3 355 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,0,0,0,0,0|2,0,0]=2 356 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,0,0,0,0,0|2,0,0]=2 357 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,0,0,0,0,0|2,0,0]=2 358 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,0,0,0,0,0|2,0,0]=2 359 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,0,0,0,0,0|2,0,0]=2 360 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,0,0,0,0,0|2,0,0]=2 361 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,0,0,0,0,0|2,0,0]=2 362 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,0,0,0,0,0|2,0,0]=2 363 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,0,0,0,0,0|2,0,0]=2 364 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,0,0,0,0,0|2,0,0]=2 365 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,0,0,0,0,0|1,0,0]=1 366 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,0,0,0,0,0|1,0,0]=1 367 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,0,0,0,0,0|3,0,0]=3 368 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,0,0,0,0,0|3,0,0]=3 369 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,0,0,0,0,0|3,0,0]=3 370 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,0,0,0,0,0|3,0,0]=3 371 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 372 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 373 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 374 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 375 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [0,0,0,0,0,0|2,0,2]=4 376 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [0,0,0,0,0,0|2,0,2]=4 377 B11R0.3 C=CCCCCCSCC#CC 62a_100000700193_100000748600 [0,0,0,0,0,0|2,0,2]=4 378 B11R0.3 C=CCCCCCSCC#CC 62a_100000748600_100000700193 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [0,0,0,0,0,0|2,0,2]=4 380 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [0,0,0,0,0,0|2,0,2]=4 381 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [0,0,0,0,0,0|2,0,1]=3 382 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [0,0,0,0,0,0|2,0,1]=3 383 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [0,0,0,0,0,0|2,0,1]=3 384 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [0,0,0,0,0,0|2,0,1]=3 385 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,0,0,0,0,0|2,0,0]=2 386 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,0,0,0,0,0|2,0,0]=2 387 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,0,0,0,0,0|2,0,0]=2 388 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,0,0,0,0,0|2,0,0]=2 389 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,0,0,0,0,0|1,0,0]=1 390 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,0,0,0,0,0|1,0,0]=1 391 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,0,0,0,0,0|3,0,0]=3 392 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,0,0,0,0,0|3,0,0]=3 393 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,0,0,0,0,0|3,0,0]=3 394 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,0,0,0,0,0|3,0,0]=3 395 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,0,0,0,0,0|3,0,0]=3 396 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,0,0,0,0,0|3,0,0]=3 397 B11R0.3 C=CCCCCCSCSC#N 62a_100000211825_100000700193 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.3 C=CCCCCCSCSC#N 62a_100000700193_100000211825 [0,0,0,0,0,0|3,0,1]=4 399 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 400 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 401 B11R0.3 C=CCCCCNCC#CCC 2230a_100000703577_100009813939 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.3 C=CCCCCNCC#CCC 34a_100000703577_100009813939 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.3 C=CCCCCNCC#CCO 2230a_100000703577_200000047223 [0,0,0,0,0,0|1,0,2]=3 404 B11R0.3 C=CCCCCNCC#CCO 34a_100000703577_200000047223 [0,0,0,0,0,0|1,0,2]=3 405 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [0,0,0,0,0,0|2,0,1]=3 406 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [0,0,0,0,0,0|2,0,1]=3 407 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [0,0,0,0,0,0|2,0,1]=3 408 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [0,0,0,0,0,0|2,0,1]=3 409 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [0,0,0,0,0,0|2,0,1]=3 410 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,0,0,0,0,0|1,0,2]=3 411 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,0,0,0,0,0|2,0,0]=2 412 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,0,0,0,0,0|2,0,0]=2 413 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,0,0,0,0,0|2,0,0]=2 414 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,0,0,0,0,0|2,0,0]=2 415 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,0,0,0,0,0|2,0,0]=2 416 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,0,0,0,0,0|1,0,0]=1 417 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,0,0,0,0,0|1,0,0]=1 418 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,0,0,0,0,0|1,0,0]=1 419 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,0,0,0,0,0|1,0,0]=1 420 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 421 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 422 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,0,0,0,0,0|3,0,0]=3 423 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,0,0,0,0,0|3,0,0]=3 424 B11R0.3 C=CCCCCNCCOC=C 2230a_100000703577_100000039644 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.3 C=CCCCCNCCOC=C 34a_100000703577_100000039644 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,0,0,0,0,0|3,0,0]=3 427 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,0,0,0,0,0|3,0,0]=3 428 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,0,0,0,0,0|3,0,0]=3 429 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,0,0,0,0,0|3,0,0]=3 430 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,0,0,0,0,0|3,0,0]=3 431 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,0,0,0,0,0|3,0,0]=3 432 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,0,0,0,0,0|3,0,0]=3 433 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 434 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,0,0,0,0,0|2,0,2]=4 435 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 436 B11R0.3 C=CCCCCOCC#CCC 34a_100000032950_100011215482 [0,0,0,0,0,0|2,0,2]=4 437 B11R0.3 C=CCCCCOCC#CCC 34a_100000766645_100009813939 [0,0,0,0,0,0|2,0,2]=4 438 B11R0.3 C=CCCCCOCC#CCC 7a_100000766645_100009813939 [0,0,0,0,0,0|2,0,2]=4 439 B11R0.3 C=CCCCCOCC#CCCl 34a_200000047223_100011215482 [0,0,0,0,0,0|2,0,2]=4 440 B11R0.3 C=CCCCCOCC#CCO 34a_100000766645_200000047223 [0,0,0,0,0,0|1,0,2]=3 441 B11R0.3 C=CCCCCOCC#CCO 7a_100000766645_200000047223 [0,0,0,0,0,0|1,0,2]=3 442 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,0,0,0,0,0|2,0,2]=4 443 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,0,0,0,0,0|2,0,2]=4 444 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,0,0,0,0,0|2,0,1]=3 445 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,0,0,0,0,0|2,0,1]=3 446 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,0,0,0,0,0|2,0,1]=3 447 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,0,0,0,0,0|2,0,1]=3 448 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,0,0,0,0,0|2,0,1]=3 449 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,0,0,0,0,0|1,0,2]=3 450 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,0,0,0,0,0|2,0,0]=2 451 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,0,0,0,0,0|2,0,0]=2 452 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,0,0,0,0,0|2,0,0]=2 453 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,0,0,0,0,0|2,0,0]=2 454 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,0,0,0,0,0|2,0,0]=2 455 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,0,0,0,0,0|2,0,0]=2 456 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,0,0,0,0,0|2,0,0]=2 457 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,0,0,0,0,0|2,0,0]=2 458 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,0,0,0,0,0|2,0,0]=2 459 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,0,0,0,0,0|2,0,0]=2 460 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,0,0,0,0,0|2,0,0]=2 461 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,0,0,0,0,0|2,0,0]=2 462 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,0,0,0,0,0|2,0,0]=2 463 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,0,0,0,0,0|1,0,0]=1 464 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,0,0,0,0,0|1,0,0]=1 465 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,0,0,0,0,0|3,0,0]=3 466 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,0,0,0,0,0|3,0,0]=3 467 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 468 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 469 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 470 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 471 B11R0.3 C=CCCCCOCCOC=C 34a_100000033082_100011215482 [0,0,0,0,0,0|3,0,1]=4 472 B11R0.3 C=CCCCCOCCOC=C 34a_100000766645_100000039644 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.3 C=CCCCCOCCOC=C 7a_100000766645_100000039644 [0,0,0,0,0,0|3,0,1]=4 474 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,0,0,0,0,0|3,0,0]=3 475 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,0,0,0,0,0|3,0,0]=3 476 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,0,0,0,0,0|3,0,0]=3 477 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,0,0,0,0,0|3,0,0]=3 478 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,0,0,0,0,0|3,0,0]=3 479 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,0,0,0,0,0|3,0,0]=3 480 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,0,0,0,0,0|3,0,0]=3 481 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,0,0,0,0,0|3,0,0]=3 482 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,0,0,0,0,0|2,0,2]=4 483 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,0,0,0,0,0|2,0,2]=4 484 B11R0.3 C=CCCCCSCC#CCC 62a_100009813939_100011215482 [0,0,0,0,0,0|2,0,2]=4 485 B11R0.3 C=CCCCCSCC#CCC 62a_100011215482_100009813939 [0,0,0,0,0,0|2,0,2]=4 486 B11R0.3 C=CCCCCSCC#CCO 62a_100011215482_200000047223 [0,0,0,0,0,0|1,0,2]=3 487 B11R0.3 C=CCCCCSCC#CCO 62a_200000047223_100011215482 [0,0,0,0,0,0|1,0,2]=3 488 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [0,0,0,0,0,0|2,0,1]=3 489 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [0,0,0,0,0,0|2,0,1]=3 490 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [0,0,0,0,0,0|2,0,1]=3 491 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [0,0,0,0,0,0|2,0,1]=3 492 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,0,0,0,0,0|1,0,2]=3 493 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,0,0,0,0,0|1,0,2]=3 494 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,0,0,0,0,0|2,0,0]=2 495 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,0,0,0,0,0|2,0,0]=2 496 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,0,0,0,0,0|2,0,0]=2 497 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,0,0,0,0,0|2,0,0]=2 498 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,0,0,0,0,0|1,0,0]=1 499 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,0,0,0,0,0|1,0,0]=1 500 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,0,0,0,0,0|3,0,0]=3 501 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,0,0,0,0,0|3,0,0]=3 502 B11R0.3 C=CCCCCSCCOC=C 62a_100000039644_100011215482 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.3 C=CCCCCSCCOC=C 62a_100011215482_100000039644 [0,0,0,0,0,0|3,0,1]=4 504 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,0,0,0,0,0|3,0,0]=3 505 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,0,0,0,0,0|3,0,0]=3 506 B11R0.3 C=CCCCCSCCSC#N 62a_100000034367_100011215482 [0,0,0,0,0,0|3,0,1]=4 507 B11R0.3 C=CCCCCSCCSC#N 62a_100011215482_100000034367 [0,0,0,0,0,0|3,0,1]=4 508 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,0,0,0,0,0|3,0,0]=3 509 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,0,0,0,0,0|3,0,0]=3 510 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 511 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 512 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [0,0,0,0,0,0|2,0,1]=3 513 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,0,0,0,0,0|1,0,2]=3 514 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,0,0,0,0,0|2,0,0]=2 515 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,0,0,0,0,0|2,0,0]=2 516 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,0,0,0,0,0|2,0,0]=2 517 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,0,0,0,0,0|2,0,0]=2 518 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,0,0,0,0,0|2,0,0]=2 519 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,0,0,0,0,0|1,0,0]=1 520 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,0,0,0,0,0|1,0,0]=1 521 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,0,0,0,0,0|1,0,0]=1 522 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,0,0,0,0,0|1,0,0]=1 523 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,0,0,0,0,0|3,0,0]=3 525 B11R0.3 C=CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011713584 [0,0,0,0,0,0|4,0,0]=4 526 B11R0.3 C=CCCCNCCCOC=C 2230a_100000210767_100011713584 [0,0,0,0,0,0|3,0,1]=4 527 B11R0.3 C=CCCCNCCCOC=C 34a_100000210767_100000757094 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,0,0,0,0,0|3,0,0]=3 529 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,0,0,0,0,0|3,0,0]=3 530 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,0,0,0,0,0|3,0,0]=3 531 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,0,0,0,0,0|3,0,0]=3 532 B11R0.3 C=CCCCNCCOCC#N 2230a_100000700776_200000047693 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,0,0,0,0,0|3,0,0]=3 534 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,0,0,0,0,0|3,0,0]=3 535 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,0,0,0,0,0|3,0,0]=3 536 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,0,0,0,0,0|3,0,0]=3 537 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,0,0,0,0,0|2,0,0]=2 538 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,0,0,0,0,0|2,0,0]=2 539 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,0,0,0,0,0|2,0,0]=2 540 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,0,0,0,0,0|2,0,0]=2 541 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,0,0,0,0,0|3,0,0]=3 542 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,0,0,0,0,0|2,0,0]=2 543 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,0,0,0,0,0|3,0,0]=3 544 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,0,0,0,0,0|3,0,0]=3 545 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,0,0,0,0,0|4,0,0]=4 546 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,0,0,0,0,0|2,0,2]=4 547 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,0,0,0,0,0|2,0,2]=4 548 B11R0.3 C=CCCCOCC#CCCC 34a_100000034806_100000757094 [0,0,0,0,0,0|2,0,2]=4 549 B11R0.3 C=CCCCOCC#CCCC 7a_100000034806_100000757094 [0,0,0,0,0,0|2,0,2]=4 550 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 551 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 552 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 553 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 554 B11R0.3 C=CCCCOCCC#CCC 34a_100000036655_100000757094 [0,0,0,0,0,0|2,0,2]=4 555 B11R0.3 C=CCCCOCCC#CCC 7a_100000036655_100000757094 [0,0,0,0,0,0|2,0,2]=4 556 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,0,0,0,0,0|2,0,2]=4 557 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,0,0,0,0,0|2,0,1]=3 558 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,0,0,0,0,0|1,0,2]=3 559 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,0,0,0,0,0|2,0,0]=2 560 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,0,0,0,0,0|2,0,0]=2 561 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,0,0,0,0,0|2,0,0]=2 562 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,0,0,0,0,0|2,0,0]=2 563 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,0,0,0,0,0|2,0,0]=2 564 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,0,0,0,0,0|2,0,0]=2 565 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,0,0,0,0,0|2,0,0]=2 566 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,0,0,0,0,0|2,0,0]=2 567 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,0,0,0,0,0|2,0,0]=2 568 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,0,0,0,0,0|2,0,0]=2 569 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,0,0,0,0,0|2,0,0]=2 570 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,0,0,0,0,0|2,0,0]=2 571 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,0,0,0,0,0|2,0,0]=2 572 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,0,0,0,0,0|1,0,0]=1 573 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,0,0,0,0,0|1,0,0]=1 574 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,0,0,0,0,0|3,0,0]=3 575 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,0,0,0,0,0|3,0,0]=3 576 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,0,0,0,0,0|3,0,0]=3 577 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 578 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 579 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,0,0,0,0,0|3,0,0]=3 581 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,0,0,0,0,0|3,0,0]=3 582 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,0,0,0,0,0|3,0,0]=3 583 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,0,0,0,0,0|3,0,0]=3 584 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,0,0,0,0,0|3,0,0]=3 585 B11R0.3 C=CCCCOCCOCC#N 7a_100000758997_200000047693 [0,0,0,0,0,0|3,0,1]=4 586 B11R0.3 C=CCCCOCCOCC=C 34a_100000037705_100000757094 [0,0,0,0,0,0|3,0,1]=4 587 B11R0.3 C=CCCCOCCOCC=C 7a_100000037705_100000757094 [0,0,0,0,0,0|3,0,1]=4 588 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,0,0,0,0,0|3,0,0]=3 590 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,0,0,0,0,0|3,0,0]=3 591 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,0,0,0,0,0|3,0,0]=3 592 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,0,0,0,0,0|3,0,0]=3 593 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,0,0,0,0,0|3,0,0]=3 594 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,0,0,0,0,0|3,0,0]=3 595 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,0,0,0,0,0|3,0,0]=3 596 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,0,0,0,0,0|3,0,0]=3 597 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,0,0,0,0,0|3,0,0]=3 598 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,0,0,0,0,0|3,0,0]=3 599 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,0,0,0,0,0|3,0,0]=3 600 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,0,0,0,0,0|3,0,0]=3 601 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,0,0,0,0,0|2,0,0]=2 602 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,0,0,0,0,0|2,0,0]=2 603 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,0,0,0,0,0|3,0,0]=3 604 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,0,0,0,0,0|3,0,0]=3 605 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,0,0,0,0,0|3,0,0]=3 606 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,0,0,0,0,0|2,0,2]=4 607 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,0,0,0,0,0|2,0,2]=4 608 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [0,0,0,0,0,0|2,0,1]=3 609 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [0,0,0,0,0,0|2,0,1]=3 610 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,0,0,0,0,0|1,0,2]=3 611 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,0,0,0,0,0|1,0,2]=3 612 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,0,0,0,0,0|2,0,0]=2 613 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,0,0,0,0,0|2,0,0]=2 614 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,0,0,0,0,0|2,0,0]=2 615 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,0,0,0,0,0|2,0,0]=2 616 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,0,0,0,0,0|1,0,0]=1 617 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,0,0,0,0,0|1,0,0]=1 618 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,0,0,0,0,0|3,0,0]=3 619 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,0,0,0,0,0|3,0,0]=3 620 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,0,0,0,0,0|3,0,0]=3 621 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,0,0,0,0,0|3,0,0]=3 622 B11R0.3 C=CCCCSCCOCC#N 62a_100011713584_200000047693 [0,0,0,0,0,0|3,0,1]=4 623 B11R0.3 C=CCCCSCCOCC#N 62a_200000047693_100000757094 [0,0,0,0,0,0|3,0,1]=4 624 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,0,0,0,0,0|3,0,0]=3 625 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,0,0,0,0,0|3,0,0]=3 626 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,0,0,0,0,0|2,0,0]=2 627 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,0,0,0,0,0|2,0,0]=2 628 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,0,0,0,0,0|3,0,0]=3 629 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,0,0,0,0,0|3,0,0]=3 630 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,0,0,0,0,0|4,0,0]=4 631 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,0,0,0,0,0|4,0,0]=4 632 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [0,0,0,0,0,0|2,0,1]=3 633 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,0,0,0,0,0|1,0,2]=3 634 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,0,0,0,0,0|2,0,0]=2 635 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,0,0,0,0,0|2,0,0]=2 636 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,0,0,0,0,0|2,0,0]=2 637 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,0,0,0,0,0|1,0,0]=1 638 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,0,0,0,0,0|1,0,0]=1 639 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,0,0,0,0,0|1,0,0]=1 640 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 641 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 642 B11R0.3 C=CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000754431 [0,0,0,0,0,0|4,0,0]=4 643 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,0,0,0,0,0|3,0,0]=3 644 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,0,0,0,0,0|3,0,0]=3 645 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,0,0,0,0,0|3,0,0]=3 646 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 647 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,0,0,0,0,0|4,0,0]=4 648 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 649 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,0,0,0,0,0|3,0,0]=3 650 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,0,0,0,0,0|2,0,2]=4 651 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,0,0,0,0,0|2,0,2]=4 652 B11R0.3 C=CCCOCC#CCCCC 34a_200000034558_100000754431 [0,0,0,0,0,0|2,0,2]=4 653 B11R0.3 C=CCCOCC#CCCCC 7a_200000034558_100000754431 [0,0,0,0,0,0|2,0,2]=4 654 B11R0.3 C=CCCOCCC#CCCC 34a_100000042726_100000754431 [0,0,0,0,0,0|2,0,2]=4 655 B11R0.3 C=CCCOCCC#CCCC 7a_100000042726_100000754431 [0,0,0,0,0,0|2,0,2]=4 656 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 657 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 658 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,0,0,0,0,0|2,0,0]=2 659 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,0,0,0,0,0|2,0,0]=2 660 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,0,0,0,0|2,0,0]=2 661 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,0,0,0,0|2,0,0]=2 662 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,0,0,0,0|2,0,0]=2 663 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,0,0,0,0,0|2,0,0]=2 664 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,0,0,0,0,0|2,0,0]=2 665 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,0,0,0,0,0|2,0,0]=2 666 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,0,0,0,0,0|2,0,0]=2 667 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,0,0,0,0,0|2,0,0]=2 668 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,0,0,0,0,0|2,0,0]=2 669 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,0,0,0,0,0|1,0,0]=1 670 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,0,0,0,0,0|3,0,0]=3 671 B11R0.3 C=CCCOCCCCOC=C 34a_100000031558_100000754431 [0,0,0,0,0,0|3,0,1]=4 672 B11R0.3 C=CCCOCCCCOC=C 7a_100000031558_100000754431 [0,0,0,0,0,0|3,0,1]=4 673 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,0,0,0,0,0|3,0,0]=3 674 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,0,0,0,0,0|3,0,0]=3 675 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,0,0,0,0,0|3,0,0]=3 676 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,0,0,0,0,0|4,0,0]=4 677 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,0,0,0,0,0|4,0,0]=4 678 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 679 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 680 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,0,0,0,0,0|3,0,0]=3 681 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,0,0,0,0,0|3,0,0]=3 682 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [0,0,0,0,0,0|2,0,1]=3 683 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [0,0,0,0,0,0|2,0,1]=3 684 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,0,0,0,0,0|1,0,2]=3 685 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,0,0,0,0,0|1,0,2]=3 686 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,0,0,0,0,0|2,0,0]=2 687 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,0,0,0,0,0|2,0,0]=2 688 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,0,0,0,0,0|2,0,0]=2 689 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,0,0,0,0,0|2,0,0]=2 690 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,0,0,0,0,0|1,0,0]=1 691 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,0,0,0,0,0|1,0,0]=1 692 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,0,0,0,0,0|3,0,0]=3 693 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,0,0,0,0,0|3,0,0]=3 694 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,0,0,0,0,0|4,0,0]=4 695 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,0,0,0,0,0|4,0,0]=4 696 B11R0.3 C=CCNCC#CCCCCC 2230a_100020586998_100009816472 [0,0,0,0,0,0|2,0,2]=4 697 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,0,0,0,0,0|2,0,1]=3 698 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,0,0,0,0|2,0,0]=2 699 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,0,0,0,0|2,0,0]=2 700 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,0,0,0,0|2,0,0]=2 701 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,0,0,0,0,0|1,0,0]=1 702 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,0,0,0,0,0|1,0,0]=1 703 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,0,0,0,0,0|1,0,0]=1 704 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,0,0,0,0,0|3,0,0]=3 705 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,0,0,0,0,0|3,0,0]=3 706 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,0,0,0,0,0|3,0,0]=3 707 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,0,0,0,0,0|2,0,0]=2 708 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,0,0,0,0,0|2,0,0]=2 709 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,0,0,0,0,0|4,0,0]=4 710 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,0,0,0,0,0|4,0,0]=4 711 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,0,0,0,0,0|4,0,0]=4 712 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,0,0,0,0,0|4,0,0]=4 713 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,0,0,0,0,0|4,0,0]=4 714 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,0,0,0,0,0|4,0,0]=4 715 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,0,0,0,0,0|2,0,2]=4 716 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,0,0,0,0,0|2,0,2]=4 717 B11R0.3 C=CCOCC#CCCCCC 34a_200000033628_100015514636 [0,0,0,0,0,0|2,0,2]=4 718 B11R0.3 C=CCOCC#CCCCCC 34a_200000210373_100009816472 [0,0,0,0,0,0|2,0,2]=4 719 B11R0.3 C=CCOCC#CCCCCC 7a_200000033628_100015514636 [0,0,0,0,0,0|2,0,2]=4 720 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [0,0,0,0,0,0|2,0,2]=4 721 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [0,0,0,0,0,0|2,0,2]=4 722 B11R0.3 C=CCOCCC#CCCCC 34a_100000037610_100015514636 [0,0,0,0,0,0|2,0,2]=4 723 B11R0.3 C=CCOCCC#CCCCC 7a_100000037610_100015514636 [0,0,0,0,0,0|2,0,2]=4 724 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 725 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 726 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,0,0,0,0,0|2,0,0]=2 727 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,0,0,0,0,0|2,0,0]=2 728 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,0,0,0,0|2,0,0]=2 729 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,0,0,0,0|2,0,0]=2 730 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,0,0,0,0|2,0,0]=2 731 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,0,0,0,0,0|2,0,0]=2 732 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,0,0,0,0,0|1,0,0]=1 733 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,0,0,0,0,0|3,0,0]=3 734 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 735 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 736 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,0,0,0,0,0|3,0,0]=3 737 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,0,0,0,0,0|3,0,0]=3 738 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,0,0,0,0,0|3,0,0]=3 739 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,0,0,0,0,0|4,0,0]=4 740 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.3 C=CCOCCOCC#CCO 34a_100000037705_200000047223 [0,0,0,0,0,0|2,0,2]=4 742 B11R0.3 C=CCOCCOCC#CCO 7a_100000037705_200000047223 [0,0,0,0,0,0|2,0,2]=4 743 B11R0.3 C=CCOCCOCCCC#N 7a_100000037705_100000687738 [0,0,0,0,0,0|3,0,1]=4 744 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [0,0,0,0,0,0|2,0,2]=4 745 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,0,0,0,0,0|3,0,0]=3 746 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,0,0,0,0,0|3,0,0]=3 747 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,0,0,0,0,0|3,0,0]=3 748 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,0,0,0,0,0|3,0,0]=3 749 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,0,0,0,0,0|3,0,0]=3 750 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,0,0,0,0,0|3,0,0]=3 751 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,0,0,0,0,0|2,0,0]=2 752 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,0,0,0,0,0|2,0,0]=2 753 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 754 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 755 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,0,0,0,0,0|4,0,0]=4 756 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,0,0,0,0,0|4,0,0]=4 757 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,0,0,0,0,0|4,0,0]=4 758 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,0,0,0,0,0|4,0,0]=4 759 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,0,0,0,0,0|4,0,0]=4 760 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,0,0,0,0,0|4,0,0]=4 761 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,0,0,0,0,0|4,0,0]=4 762 B11R0.3 C=CCOCCOCCOCF 34a_100000065479_100015361967 [0,0,0,0,0,0|4,0,0]=4 763 B11R0.3 C=CCOCCOCCOCF 7a_100000065479_100015361967 [0,0,0,0,0,0|4,0,0]=4 764 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [0,0,0,0,0,0|4,0,0]=4 765 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [0,0,0,0,0,0|4,0,0]=4 766 B11R0.3 C=CCSCC#CCCCCC 62a_100000210623_100009816472 [0,0,0,0,0,0|2,0,2]=4 767 B11R0.3 C=CCSCC#CCCCCC 62a_100009816472_100000210623 [0,0,0,0,0,0|2,0,2]=4 768 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [0,0,0,0,0,0|2,0,1]=3 769 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [0,0,0,0,0,0|2,0,1]=3 770 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,0,0,0,0|2,0,0]=2 771 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,0,0,0,0|2,0,0]=2 772 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,0,0,0,0,0|1,0,0]=1 773 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,0,0,0,0,0|1,0,0]=1 774 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,0,0,0,0,0|3,0,0]=3 775 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,0,0,0,0,0|3,0,0]=3 776 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,0,0,0,0,0|4,0,0]=4 777 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,0,0,0,0,0|4,0,0]=4 778 B11R0.3 C=CCSCCOCCOCC 62a_100000210623_100011211534 [0,0,0,0,0,0|4,0,0]=4 779 B11R0.3 C=CCSCCOCCOCC 62a_100011211534_100000210623 [0,0,0,0,0,0|4,0,0]=4 780 B11R0.3 C=COCCCCOCCC#N 7a_100000031558_100000184422 [0,0,0,0,0,0|3,0,1]=4 781 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,0,0,0,0,0|3,0,0]=3 782 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,0,0,0,0,0|3,0,0]=3 783 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,0,0,0,0,0|3,0,0]=3 784 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,0,0,0,0,0|3,0,0]=3 785 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,0,0,0,0,0|2,0,0]=2 786 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,0,0,0,0,0|2,0,0]=2 787 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,0,0,0,0,0|4,0,0]=4 788 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,0,0,0,0,0|4,0,0]=4 789 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 790 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 791 B11R0.3 C=COCCCNCC#CCO 2230a_100000210767_200000047223 [0,0,0,0,0,0|2,0,2]=4 792 B11R0.3 C=COCCCNCC#CCO 34a_100000210767_200000047223 [0,0,0,0,0,0|2,0,2]=4 793 B11R0.3 C=COCCCNCCCC#N 2230a_100000210767_100000687738 [0,0,0,0,0,0|3,0,1]=4 794 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [0,0,0,0,0,0|2,0,2]=4 795 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,0,0,0,0,0|3,0,0]=3 796 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,0,0,0,0,0|3,0,0]=3 797 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,0,0,0,0,0|3,0,0]=3 798 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,0,0,0,0,0|3,0,0]=3 799 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,0,0,0,0,0|2,0,0]=2 800 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,0,0,0,0,0|2,0,0]=2 801 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 802 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 803 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,0,0,0,0,0|4,0,0]=4 804 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,0,0,0,0,0|4,0,0]=4 805 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,0,0,0,0,0|4,0,0]=4 806 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,0,0,0,0,0|4,0,0]=4 807 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,0,0,0,0,0|3,0,0]=3 808 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,0,0,0,0,0|2,0,0]=2 809 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,0,0,0,0,0|2,0,0]=2 810 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,0,0,0,0,0|4,0,0]=4 811 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,0,0,0,0,0|4,0,0]=4 812 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,0,0,0,0,0|4,0,0]=4 813 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,0,0,0,0,0|4,0,0]=4 814 B11R0.3 C=COCCNCCOCCO 2230a_100000211614_100000039644 [0,0,0,0,0,0|3,0,0]=3 815 B11R0.3 C=COCCNCCOCCO 34a_100000211614_100000039644 [0,0,0,0,0,0|3,0,0]=3 816 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,0,0,0,0,0|4,0,0]=4 817 B11R0.3 C=COCCNCCSCCO 2230a_100011219999_100000039644 [0,0,0,0,0,0|3,0,0]=3 818 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,0,0,0,0,0|3,0,0]=3 819 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,0,0,0,0,0|3,0,0]=3 820 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,0,0,0,0,0|3,0,0]=3 821 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,0,0,0,0,0|3,0,0]=3 822 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,0,0,0,0,0|3,0,0]=3 823 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,0,0,0,0,0|3,0,0]=3 824 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,0,0,0,0,0|3,0,0]=3 825 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,0,0,0,0,0|3,0,0]=3 826 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,0,0,0,0,0|3,0,0]=3 827 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,0,0,0,0,0|3,0,0]=3 828 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,0,0,0,0,0|3,0,0]=3 829 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,0,0,0,0,0|2,0,0]=2 830 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,0,0,0,0,0|4,0,0]=4 831 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,0,0,0,0,0|4,0,0]=4 832 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 833 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 834 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,0,0,0,0,0|4,0,0]=4 835 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,0,0,0,0,0|4,0,0]=4 836 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,0,0,0,0,0|4,0,0]=4 837 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,0,0,0,0,0|4,0,0]=4 838 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,0,0,0,0,0|4,0,0]=4 839 B11R0.3 C=COCCOCCOCCBr 34a_100000692535_100000039644 [0,0,0,0,0,0|4,0,0]=4 840 B11R0.3 C=COCCOCCOCCBr 7a_100000692535_100000039644 [0,0,0,0,0,0|4,0,0]=4 841 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,0,0,0,0,0|4,0,0]=4 842 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,0,0,0,0,0|4,0,0]=4 843 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,0,0,0,0,0|4,0,0]=4 844 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,0,0,0,0,0|4,0,0]=4 845 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,0,0,0,0,0|4,0,0]=4 846 B11R0.3 C=COCCOCCOCCCl 34a_100011215305_100000039644 [0,0,0,0,0,0|4,0,0]=4 847 B11R0.3 C=COCCOCCOCCCl 7a_100011215305_100000039644 [0,0,0,0,0,0|4,0,0]=4 848 B11R0.3 C=COCCOCCOCCF 34a_100000039918_100011217306 [0,0,0,0,0,0|4,0,0]=4 849 B11R0.3 C=COCCOCCOCCF 34a_200015357709_100000039644 [0,0,0,0,0,0|4,0,0]=4 850 B11R0.3 C=COCCOCCOCCF 7a_100000039918_100011217306 [0,0,0,0,0,0|4,0,0]=4 851 B11R0.3 C=COCCOCCOCCF 7a_200015357709_100000039644 [0,0,0,0,0,0|4,0,0]=4 852 B11R0.3 C=COCCOCCOCCI 34a_100012149058_100000039644 [0,0,0,0,0,0|4,0,0]=4 853 B11R0.3 C=COCCOCCOCCI 7a_100012149058_100000039644 [0,0,0,0,0,0|4,0,0]=4 854 B11R0.3 C=COCCOCCOCCN 34a_100000211614_100000039644 [0,0,0,0,0,0|4,0,0]=4 855 B11R0.3 C=COCCOCCOCCO 34a_100000033082_100000692535 [0,0,0,0,0,0|3,0,0]=3 856 B11R0.3 C=COCCOCCOCCO 34a_100000039918_100000211926 [0,0,0,0,0,0|3,0,0]=3 857 B11R0.3 C=COCCOCCOCCO 7a_100000039918_100000211926 [0,0,0,0,0,0|3,0,0]=3 858 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,0,0,0,0,0|4,0,0]=4 859 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,0,0,0,0,0|4,0,0]=4 860 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,0,0,0,0,0|4,0,0]=4 861 B11R0.3 C=COCCSCCCCC#N 62a_100000039644_100000211819 [0,0,0,0,0,0|3,0,1]=4 862 B11R0.3 C=COCCSCCCCC#N 62a_100011219923_100000039644 [0,0,0,0,0,0|3,0,1]=4 863 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [0,0,0,0,0,0|2,0,2]=4 864 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [0,0,0,0,0,0|2,0,2]=4 865 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,0,0,0,0,0|3,0,0]=3 866 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,0,0,0,0,0|3,0,0]=3 867 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,0,0,0,0,0|3,0,0]=3 868 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,0,0,0,0,0|3,0,0]=3 869 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,0,0,0,0,0|2,0,0]=2 870 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,0,0,0,0,0|2,0,0]=2 871 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,0,0,0,0,0|4,0,0]=4 872 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,0,0,0,0,0|4,0,0]=4 873 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,0,0,0,0,0|4,0,0]=4 874 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,0,0,0,0,0|4,0,0]=4 875 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,0,0,0,0,0|4,0,0]=4 876 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,0,0,0,0,0|4,0,0]=4 877 B11R0.3 C=COCCSCCOCCO 62a_100000039644_100011215305 [0,0,0,0,0,0|3,0,0]=3 878 B11R0.3 C=COCCSCCOCCO 62a_100011215305_100000039644 [0,0,0,0,0,0|3,0,0]=3 879 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,0,0,0,0,0|4,0,0]=4 880 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,0,0,0,0,0|4,0,0]=4 881 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,0,0,0,0,0|1,0,3]=4 882 B11R0.3 CC#CCNCCCCCCO 2230a_100000685387_100000766143 [0,0,0,0,0,0|1,0,3]=4 883 B11R0.3 CC#CCNCCCCCCO 2230a_100000686447_100000748600 [0,0,0,0,0,0|1,0,3]=4 884 B11R0.3 CC#CCNCCCCCCO 34a_100000685387_100000766143 [0,0,0,0,0,0|1,0,3]=4 885 B11R0.3 CC#CCNCCCCCCO 34a_100000686447_100000748600 [0,0,0,0,0,0|1,0,3]=4 886 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,0,0,0,0,0|1,0,3]=4 887 B11R0.3 CC#CCSCCCCCCO 62a_100000748600_100000766143 [0,0,0,0,0,0|1,0,3]=4 888 B11R0.3 CC#CCSCCCCCCO 62a_100000766143_100000748600 [0,0,0,0,0,0|1,0,3]=4 889 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,0,0,0,0,0|1,0,3]=4 890 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,0,0,0,0,0|2,0,2]=4 891 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,0,0,0,0,0|2,0,2]=4 892 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,0,0,0,0,0|1,0,2]=3 893 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,0,0,0,0|2,0,2]=4 894 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,0,0,0,0,0|1,0,2]=3 895 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,0,0,0,0,0|1,0,2]=3 896 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,0,0,0,0,0|2,0,2]=4 897 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,0,0,0,0,0|2,0,2]=4 898 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 899 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 900 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,0,0,0,0,0|2,0,2]=4 901 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,0,0,0,0,0|2,0,2]=4 902 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,0,0,0,0,0|2,0,2]=4 903 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,0,0,0,0,0|2,0,2]=4 904 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,0,0,0,0,0|2,0,2]=4 905 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,0,0,0,0|2,0,2]=4 906 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,0,0,0,0|2,0,2]=4 907 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,0,0,0,0,0|2,0,2]=4 908 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,0,0,0,0,0|2,0,2]=4 909 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,0,0,0,0,0|1,0,2]=3 910 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,0,0,0,0,0|1,0,2]=3 911 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|2,0,1]=3 912 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|2,0,1]=3 913 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|2,0,1]=3 914 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|2,0,1]=3 915 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|2,0,1]=3 916 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|2,0,1]=3 917 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|2,0,1]=3 918 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|2,0,1]=3 919 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|2,0,1]=3 920 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|2,0,1]=3 921 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|2,0,1]=3 922 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|2,0,1]=3 923 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|2,0,1]=3 924 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|2,0,1]=3 925 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,0,0,0,0,0|2,0,2]=4 926 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,0,0,0,0,0|2,0,2]=4 927 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,0,0,0,0,0|2,0,2]=4 928 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,0,0,0,0,0|2,0,2]=4 929 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,0,0,0,0,0|2,0,2]=4 930 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,0,0,0,0,0|2,0,2]=4 931 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,0,0,0,0,0|2,0,2]=4 932 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,0,0,0,0,0|2,0,2]=4 933 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,0,0,0,0,0|2,0,2]=4 934 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,0,0,0,0,0|2,0,2]=4 935 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,0,0,0,0,0|2,0,2]=4 936 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,0,0,0,0,0|3,0,1]=4 937 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|3,0,0]=3 938 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|3,0,0]=3 939 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,0,0,0,0,0|2,0,2]=4 940 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,0,0,0,0,0|2,0,2]=4 941 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,0,0,0,0,0|2,0,2]=4 942 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,0,0,0,0,0|2,0,2]=4 943 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,0,0,0,0,0|2,0,2]=4 944 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,0,0,0,0,0|1,0,2]=3 945 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,0,0,0,0,0|1,0,2]=3 946 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,0,0,0,0,0|1,0,2]=3 947 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,0,0,0,0,0|1,0,2]=3 948 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,0,0,0,0,0|3,0,1]=4 949 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,0,0,0,0,0|3,0,1]=4 950 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,0,0,0,0,0|3,0,1]=4 951 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,0,0,0,0,0|3,0,1]=4 952 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|3,0,0]=3 953 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|3,0,0]=3 954 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,0,0,0,0,0|2,0,2]=4 955 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,0,0,0,0,0|2,0,2]=4 956 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,0,0,0,0,0|2,0,2]=4 957 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,0,0,0,0,0|2,0,2]=4 958 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,0,0,0,0,0|2,0,2]=4 959 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,0,0,0,0,0|2,0,2]=4 960 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,0,0,0,0,0|2,0,2]=4 961 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,0,0,0,0,0|1,0,2]=3 962 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,0,0,0,0,0|1,0,2]=3 963 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,0,0,0,0,0|3,0,1]=4 964 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,0,0,0,0,0|3,0,1]=4 965 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,0,0,0,0,0|3,0,1]=4 966 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|3,0,0]=3 967 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|3,0,0]=3 968 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,0,0,0,0,0|2,0,2]=4 969 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,0,0,0,0,0|2,0,2]=4 970 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,0,0,0,0,0|2,0,2]=4 971 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,0,0,0,0,0|2,0,2]=4 972 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,0,0,0,0,0|1,0,2]=3 973 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,0,0,0,0,0|1,0,2]=3 974 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,0,0,0,0,0|3,0,1]=4 975 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,0,0,0,0,0|3,0,1]=4 976 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,0,0,0,0,0|3,0,1]=4 977 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,0,0,0,0,0|3,0,1]=4 978 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,0,0,0,0,0|3,0,1]=4 979 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,0,0,0,0,0|2,0,2]=4 980 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,0,0,0,0,0|2,0,2]=4 981 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,0,0,0,0,0|2,0,2]=4 982 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,0,0,0,0,0|2,0,2]=4 983 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,0,0,0,0,0|2,0,2]=4 984 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,0,0,0,0,0|2,0,2]=4 985 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,0,0,0,0,0|1,0,2]=3 986 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,0,0,0,0,0|3,0,1]=4 987 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,0,0,0,0,0|3,0,1]=4 988 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,0,0,0,0,0|3,0,1]=4 989 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,0,0,0,0,0|3,0,1]=4 990 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,0,0,0,0,0|3,0,1]=4 991 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,0,0,0,0,0|2,0,2]=4 992 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,0,0,0,0,0|2,0,2]=4 993 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,0,0,0,0,0|2,0,2]=4 994 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,0,0,0,0,0|2,0,2]=4 995 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,0,0,0,0,0|2,0,2]=4 996 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,0,0,0,0,0|2,0,2]=4 997 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,0,0,0,0,0|2,0,2]=4 998 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,0,0,0,0,0|2,0,2]=4 999 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,0,0,0,0,0|2,0,2]=4 1000 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,0,0,0,0,0|2,0,2]=4 1001 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,0,0,0,0,0|1,0,2]=3 1002 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,0,0,0,0,0|1,0,2]=3 1003 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,0,0,0,0,0|3,0,1]=4 1004 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,0,0,0,0,0|3,0,1]=4 1005 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,0,0,0,0,0|3,0,1]=4 1006 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,0,0,0,0,0|4,0,0]=4 1007 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,0,0,0,0,0|3,0,1]=4 1008 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,0,0,0,0,0|3,0,1]=4 1009 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,0,0,0,0,0|3,0,1]=4 1010 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,0,0,0,0,0|3,0,1]=4 1011 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,0,0,0,0,0|3,0,1]=4 1012 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,0,0,0,0,0|3,0,1]=4 1013 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,0,0,0,0,0|2,0,2]=4 1014 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,0,0,0,0,0|2,0,2]=4 1015 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,0,0,0,0,0|2,0,2]=4 1016 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,0,0,0,0,0|2,0,2]=4 1017 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,0,0,0,0,0|1,0,2]=3 1018 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,0,0,0,0,0|1,0,2]=3 1019 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,0,0,0,0,0|3,0,1]=4 1020 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,0,0,0,0,0|3,0,1]=4 1021 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,0,0,0,0,0|3,0,1]=4 1022 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,0,0,0,0,0|3,0,1]=4 1023 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,0,0,0,0,0|3,0,1]=4 1024 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,0,0,0,0|3,0,0]=3 1025 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,0,0,0,0,0|2,0,2]=4 1026 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,0,0,0,0,0|2,0,2]=4 1027 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,0,0,0,0,0|2,0,2]=4 1028 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,0,0,0,0,0|1,0,2]=3 1029 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 1030 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 1031 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,0,0,0,0,0|3,0,1]=4 1032 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,0,0,0,0,0|3,0,1]=4 1033 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,0,0,0,0,0|3,0,1]=4 1034 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,0,0,0,0,0|3,0,1]=4 1035 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,0,0,0,0|3,0,0]=3 1036 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,0,0,0,0,0|2,0,2]=4 1037 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,0,0,0,0,0|2,0,2]=4 1038 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,0,0,0,0,0|2,0,2]=4 1039 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,0,0,0,0,0|2,0,2]=4 1040 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,0,0,0,0,0|2,0,2]=4 1041 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,0,0,0,0,0|2,0,2]=4 1042 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,0,0,0,0,0|2,0,2]=4 1043 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,0,0,0,0,0|2,0,2]=4 1044 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,0,0,0,0,0|2,0,2]=4 1045 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,0,0,0,0,0|2,0,2]=4 1046 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,0,0,0,0,0|2,0,2]=4 1047 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,0,0,0,0,0|2,0,2]=4 1048 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,0,0,0,0,0|2,0,2]=4 1049 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,0,0,0,0,0|1,0,2]=3 1050 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,0,0,0,0,0|1,0,2]=3 1051 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,0,0,0,0,0|3,0,1]=4 1052 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,0,0,0,0,0|3,0,1]=4 1053 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,0,0,0,0,0|3,0,1]=4 1054 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,0,0,0,0,0|3,0,1]=4 1055 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,0,0,0,0,0|3,0,1]=4 1056 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,0,0,0,0,0|3,0,1]=4 1057 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,0,0,0,0,0|3,0,1]=4 1058 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,0,0,0,0,0|3,0,1]=4 1059 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,0,0,0,0|3,0,0]=3 1060 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,0,0,0,0|3,0,0]=3 1061 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,0,0,0,0,0|2,0,2]=4 1062 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,0,0,0,0,0|2,0,2]=4 1063 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,0,0,0,0,0|2,0,2]=4 1064 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,0,0,0,0,0|2,0,2]=4 1065 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,0,0,0,0,0|1,0,2]=3 1066 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,0,0,0,0,0|1,0,2]=3 1067 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,0,0,0,0,0|3,0,1]=4 1068 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,0,0,0,0,0|3,0,1]=4 1069 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,0,0,0,0,0|3,0,1]=4 1070 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,0,0,0,0,0|3,0,0]=3 1071 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,0,0,0,0,0|2,0,2]=4 1072 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,0,0,0,0,0|1,0,2]=3 1073 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,0,0,0,0,0|1,0,2]=3 1074 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,0,0,0,0,0|1,0,2]=3 1075 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,0,0,0,0,0|3,0,1]=4 1076 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,0,0,0,0,0|4,0,0]=4 1077 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,0,0,0,0,0|2,0,2]=4 1078 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,0,0,0,0,0|2,0,2]=4 1079 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,0,0,0,0,0|2,0,2]=4 1080 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,0,0,0,0,0|2,0,2]=4 1081 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,0,0,0,0,0|2,0,2]=4 1082 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,0,0,0,0,0|3,0,1]=4 1083 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,0,0,0,0,0|3,0,0]=3 1084 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,0,0,0,0,0|2,0,2]=4 1085 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,0,0,0,0,0|2,0,2]=4 1086 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,0,0,0,0,0|2,0,2]=4 1087 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,0,0,0,0,0|2,0,2]=4 1088 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,0,0,0,0,0|2,0,2]=4 1089 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,0,0,0,0,0|2,0,2]=4 1090 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,0,0,0,0,0|2,0,2]=4 1091 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,0,0,0,0,0|2,0,2]=4 1092 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,0,0,0,0,0|2,0,2]=4 1093 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 1094 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 1095 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,0,0,0,0,0|3,0,1]=4 1096 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,0,0,0,0,0|3,0,1]=4 1097 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,0,0,0,0,0|3,0,1]=4 1098 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,0,0,0,0,0|3,0,1]=4 1099 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,0,0,0,0,0|3,0,1]=4 1100 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,0,0,0,0,0|4,0,0]=4 1101 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,0,0,0,0,0|4,0,0]=4 1102 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,0,0,0,0,0|2,0,2]=4 1103 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,0,0,0,0,0|2,0,2]=4 1104 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,0,0,0,0,0|2,0,2]=4 1105 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,0,0,0,0,0|2,0,2]=4 1106 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,0,0,0,0,0|3,0,1]=4 1107 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,0,0,0,0,0|3,0,1]=4 1108 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,0,0,0,0,0|3,0,0]=3 1109 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,0,0,0,0,0|3,0,0]=3 1110 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,0,0,0,0,0|2,0,2]=4 1111 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,0,0,0,0,0|2,0,2]=4 1112 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,0,0,0,0,0|1,0,2]=3 1113 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,0,0,0,0,0|1,0,2]=3 1114 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,0,0,0,0,0|3,0,1]=4 1115 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,0,0,0,0,0|3,0,1]=4 1116 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,0,0,0,0,0|2,0,2]=4 1117 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,0,0,0,0,0|2,0,2]=4 1118 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,0,0,0,0,0|3,0,1]=4 1119 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,0,0,0,0,0|3,0,1]=4 1120 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,0,0,0,0,0|3,0,0]=3 1121 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,0,0,0,0,0|3,0,0]=3 1122 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,0,0,0,0,0|2,0,2]=4 1123 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,0,0,0,0,0|2,0,2]=4 1124 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,0,0,0,0,0|1,0,2]=3 1125 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,0,0,0,0,0|1,0,2]=3 1126 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,0,0,0,0,0|1,0,2]=3 1127 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,0,0,0,0,0|1,0,2]=3 1128 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,0,0,0,0,0|3,0,1]=4 1129 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,0,0,0,0,0|3,0,1]=4 1130 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,0,0,0,0,0|3,0,1]=4 1131 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,0,0,0,0|3,0,0]=3 1132 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,0,0,0,0,0|2,0,2]=4 1133 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,0,0,0,0,0|2,0,2]=4 1134 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,0,0,0,0,0|2,0,2]=4 1135 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,0,0,0,0,0|2,0,2]=4 1136 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,0,0,0,0,0|2,0,2]=4 1137 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,0,0,0,0,0|2,0,2]=4 1138 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,0,0,0,0,0|2,0,2]=4 1139 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,0,0,0,0,0|2,0,2]=4 1140 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,0,0,0,0,0|2,0,2]=4 1141 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 1142 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 1143 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,0,0,0,0,0|3,0,1]=4 1144 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,0,0,0,0,0|4,0,0]=4 1145 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,0,0,0,0,0|4,0,0]=4 1146 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,0,0,0,0,0|2,0,2]=4 1147 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,0,0,0,0,0|2,0,2]=4 1148 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,0,0,0,0,0|4,0,0]=4 1149 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,0,0,0,0,0|4,0,0]=4 1150 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,0,0,0,0,0|2,0,2]=4 1151 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,0,0,0,0,0|2,0,2]=4 1152 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,0,0,0,0,0|2,0,2]=4 1153 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,0,0,0,0,0|2,0,2]=4 1154 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,0,0,0,0,0|2,0,2]=4 1155 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,0,0,0,0,0|2,0,2]=4 1156 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 1157 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 1158 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,0,0,0,0,0|4,0,0]=4 1159 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,0,0,0,0,0|4,0,0]=4 1160 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,0,0,0,0,0|2,0,2]=4 1161 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,0,0,0,0,0|2,0,2]=4 1162 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,0,0,0,0,0|3,0,1]=4 1163 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,0,0,0,0,0|3,0,1]=4 1164 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,0,0,0,0,0|3,0,0]=3 1165 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,0,0,0,0,0|3,0,0]=3 1166 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,0,0,0,0,0|2,0,2]=4 1167 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,0,0,0,0,0|2,0,2]=4 1168 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,0,0,0,0,0|1,0,2]=3 1169 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,0,0,0,0,0|1,0,2]=3 1170 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,0,0,0,0,0|2,0,2]=4 1171 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,0,0,0,0,0|2,0,2]=4 1172 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,0,0,0,0,0|2,0,2]=4 1173 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 1174 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 1175 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 1176 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 1177 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,0,0,0,0,0|2,0,2]=4 1178 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,0,0,0,0,0|2,0,2]=4 1179 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,0,0,0,0,0|2,0,2]=4 1180 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,0,0,0,0,0|1,0,2]=3 1181 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,0,0,0,0,0|3,0,1]=4 1182 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,0,0,0,0,0|3,0,1]=4 1183 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,0,0,0,0,0|3,0,1]=4 1184 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 1185 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 1186 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,0,0,0,0,0|4,0,0]=4 1187 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 1188 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,0,0,0,0,0|2,0,2]=4 1189 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 1190 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,0,0,0,0,0|2,0,2]=4 1191 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,0,0,0,0,0|4,0,0]=4 1192 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,0,0,0,0,0|2,0,2]=4 1193 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,0,0,0,0,0|2,0,2]=4 1194 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,0,0,0,0,0|4,0,0]=4 1195 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,0,0,0,0,0|4,0,0]=4 1196 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,0,0,0,0,0|2,0,2]=4 1197 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,0,0,0,0,0|2,0,2]=4 1198 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,0,0,0,0,0|3,0,1]=4 1199 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,0,0,0,0,0|3,0,1]=4 1200 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,0,0,0,0,0|1,0,2]=3 1201 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,0,0,0,0,0|1,0,2]=3 1202 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,0,0,0,0,0|3,0,1]=4 1203 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,0,0,0,0,0|3,0,1]=4 1204 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,0,0,0,0,0|4,0,0]=4 1205 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,0,0,0,0,0|2,0,2]=4 1206 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,0,0,0,0,0|4,0,0]=4 1207 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,0,0,0,0,0|2,0,2]=4 1208 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,0,0,0,0,0|2,0,2]=4 1209 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,0,0,0,0,0|1,0,2]=3 1210 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 1211 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 1212 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,0,0,0,0,0|2,0,2]=4 1213 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,0,0,0,0,0|2,0,2]=4 1214 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,0,0,0,0,0|2,0,2]=4 1215 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,0,0,0,0,0|2,0,2]=4 1216 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,0,0,0,0,0|2,0,2]=4 1217 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,0,0,0,0,0|1,0,2]=3 1218 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,0,0,0,0,0|4,0,0]=4 1219 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,0,0,0,0,0|2,0,2]=4 1220 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 1221 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,0,0,0,0,0|2,0,2]=4 1222 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 1223 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,0,0,0,0,0|4,0,0]=4 1224 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,0,0,0,0,0|2,0,2]=4 1225 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,0,0,0,0,0|2,0,2]=4 1226 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,0,0,0,0,0|4,0,0]=4 1227 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,0,0,0,0,0|4,0,0]=4 1228 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,0,0,0,0,0|2,0,2]=4 1229 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,0,0,0,0,0|2,0,2]=4 1230 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,0,0,0,0,0|4,0,0]=4 1231 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,0,0,0,0,0|2,0,2]=4 1232 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 1233 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,0,0,0,0,0|2,0,2]=4 1234 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 1235 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,0,0,0,0,0|4,0,0]=4 1236 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 1237 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 1238 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,0,0,0,0,0|4,0,0]=4 1239 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,0,0,0,0,0|4,0,0]=4 1240 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,0,0,0,0,0|2,0,2]=4 1241 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,0,0,0,0,0|2,0,2]=4 1242 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,0,0,0,0,0|4,0,0]=4 1243 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,0,0,0,0,0|4,0,0]=4 1244 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,0,0,0,0,0|2,0,2]=4 1245 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,0,0,0,0,0|2,0,2]=4 1246 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,0,0,0,0,0|1,0,2]=3 1247 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,0,0,0,0,0|1,0,2]=3 1248 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,0,0,0,0,0|4,0,0]=4 1249 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,0,0,0,0,0|2,0,2]=4 1250 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,0,0,0,0,0|2,0,2]=4 1251 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,0,0,0,0,0|4,0,0]=4 1252 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,0,0,0,0,0|2,0,2]=4 1253 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 1254 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 1255 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,0,0,0,0,0|4,0,0]=4 1256 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 1257 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 1258 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,0,0,0,0,0|4,0,0]=4 1259 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,0,0,0,0,0|4,0,0]=4 1260 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,0,0,0,0,0|2,0,2]=4 1261 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,0,0,0,0,0|2,0,2]=4 1262 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,0,0,0,0,0|1,0,1]=2 1263 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,0,0,0,0,0|1,0,1]=2 1264 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,0,0,0,0,0|1,0,1]=2 1265 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,0,0,0,0,0|1,0,1]=2 1266 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,0,0,0,0,0|1,0,1]=2 1267 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,0,0,0,0,0|3,0,1]=4 1268 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,0,0,0,0,0|2,0,1]=3 1269 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,0,0,0,0,0|3,0,1]=4 1270 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,0,0,0,0,0|2,0,1]=3 1271 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,0,0,0,0,0|3,0,1]=4 1272 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,0,0,0,0,0|3,0,1]=4 1273 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,0,0,0,0,0|3,0,1]=4 1274 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,0,0,0,0,0|3,0,1]=4 1275 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|2,0,1]=3 1276 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|2,0,1]=3 1277 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1278 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1279 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|2,0,1]=3 1280 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|1,0,1]=2 1281 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,0,0,0,0,0|3,0,1]=4 1282 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,0,0,0,0,0|2,0,1]=3 1283 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,0,0,0,0,0|2,0,1]=3 1284 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,0,0,0,0,0|4,0,0]=4 1285 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,0,0,0,0,0|4,0,0]=4 1286 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,0,0,0,0,0|3,0,1]=4 1287 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 1288 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 1289 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,0,0,0,0,0|3,0,1]=4 1290 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,0,0,0,0,0|2,0,1]=3 1291 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,0,0,0,0,0|2,0,1]=3 1292 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,0,0,0,0,0|4,0,0]=4 1293 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,0,0,0,0,0|4,0,0]=4 1294 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,0,0,0,0,0|3,0,1]=4 1295 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,0,0,0,0,0|3,0,1]=4 1296 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,0,0,0,0,0|2,0,1]=3 1297 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,0,0,0,0,0|2,0,1]=3 1298 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,0,0,0,0,0|3,0,1]=4 1299 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,0,0,0,0,0|3,0,1]=4 1300 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,0,0,0,0,0|2,0,1]=3 1301 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,0,0,0,0,0|2,0,1]=3 1302 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,0,0,0,0,0|2,0,1]=3 1303 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,0,0,0,0,0|2,0,1]=3 1304 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,0,0,0,0,0|3,0,1]=4 1305 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,0,0,0,0,0|3,0,1]=4 1306 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,0,0,0,0,0|3,0,1]=4 1307 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,0,0,0,0,0|3,0,1]=4 1308 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,0,0,0,0,0|3,0,1]=4 1309 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,0,0,0,0,0|3,0,1]=4 1310 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,0,0,0,0,0|3,0,1]=4 1311 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,0,0,0,0,0|3,0,1]=4 1312 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,0,0,0,0,0|2,0,1]=3 1313 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,0,0,0,0,0|4,0,0]=4 1314 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,0,0,0,0,0|4,0,0]=4 1315 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,0,0,0,0,0|3,0,1]=4 1316 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,0,0,0,0,0|3,0,1]=4 1317 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,0,0,0,0,0|2,0,1]=3 1318 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,0,0,0,0,0|2,0,1]=3 1319 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,0,0,0,0,0|3,0,1]=4 1320 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,0,0,0,0,0|2,0,1]=3 1321 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,0,0,0,0,0|2,0,1]=3 1322 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,0,0,0,0,0|2,0,1]=3 1323 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,0,0,0,0,0|3,0,1]=4 1324 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,0,0,0,0,0|3,0,1]=4 1325 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,0,0,0,0,0|3,0,1]=4 1326 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,0,0,0,0,0|3,0,1]=4 1327 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,0,0,0,0,0|3,0,1]=4 1328 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,0,0,0,0,0|3,0,1]=4 1329 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,0,0,0,0,0|3,0,1]=4 1330 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,0,0,0,0,0|3,0,1]=4 1331 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,0,0,0,0,0|3,0,1]=4 1332 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,0,0,0,0,0|3,0,1]=4 1333 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,0,0,0,0,0|3,0,1]=4 1334 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,0,0,0,0,0|3,0,1]=4 1335 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,0,0,0,0,0|2,0,1]=3 1336 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,0,0,0,0,0|3,0,1]=4 1337 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,0,0,0,0,0|4,0,0]=4 1338 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,0,0,0,0,0|4,0,0]=4 1339 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,0,0,0,0,0|3,0,1]=4 1340 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,0,0,0,0,0|3,0,1]=4 1341 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,0,0,0,0,0|2,0,1]=3 1342 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,0,0,0,0,0|2,0,1]=3 1343 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,0,0,0,0,0|3,0,1]=4 1344 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,0,0,0,0,0|3,0,1]=4 1345 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,0,0,0,0,0|4,0,0]=4 1346 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,0,0,0,0,0|3,0,1]=4 1347 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,0,0,0,0,0|2,0,1]=3 1348 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,0,0,0,0,0|2,0,1]=3 1349 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,0,0,0,0,0|2,0,1]=3 1350 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,0,0,0,0,0|3,0,1]=4 1351 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,0,0,0,0,0|3,0,1]=4 1352 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,0,0,0,0,0|3,0,1]=4 1353 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,0,0,0,0,0|3,0,1]=4 1354 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,0,0,0,0,0|3,0,1]=4 1355 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,0,0,0,0,0|3,0,1]=4 1356 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,0,0,0,0,0|3,0,1]=4 1357 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,0,0,0,0,0|3,0,1]=4 1358 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,0,0,0,0,0|2,0,1]=3 1359 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,0,0,0,0,0|3,0,1]=4 1360 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,0,0,0,0,0|3,0,1]=4 1361 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,0,0,0,0,0|3,0,1]=4 1362 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,0,0,0,0,0|3,0,1]=4 1363 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,0,0,0,0,0|3,0,1]=4 1364 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,0,0,0,0,0|3,0,1]=4 1365 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,0,0,0,0,0|3,0,1]=4 1366 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,0,0,0,0,0|3,0,1]=4 1367 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,0,0,0,0,0|3,0,1]=4 1368 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,0,0,0,0,0|3,0,1]=4 1369 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,0,0,0,0,0|3,0,1]=4 1370 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,0,0,0,0,0|3,0,1]=4 1371 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,0,0,0,0,0|3,0,1]=4 1372 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,0,0,0,0,0|3,0,1]=4 1373 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,0,0,0,0,0|3,0,1]=4 1374 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,0,0,0,0,0|4,0,0]=4 1375 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,0,0,0,0,0|4,0,0]=4 1376 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,0,0,0,0,0|3,0,1]=4 1377 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,0,0,0,0,0|3,0,1]=4 1378 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,0,0,0,0,0|2,0,1]=3 1379 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,0,0,0,0,0|2,0,1]=3 1380 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,0,0,0,0,0|2,0,1]=3 1381 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,0,0,0,0,0|3,0,1]=4 1382 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,0,0,0,0,0|2,0,1]=3 1383 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,0,0,0,0,0|2,0,1]=3 1384 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,0,0,0,0,0|1,0,1]=2 1385 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,0,0,0,0,0|1,0,1]=2 1386 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,0,0,0,0,0|4,0,0]=4 1387 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,0,0,0,0,0|3,0,1]=4 1388 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,0,0,0,0,0|3,0,1]=4 1389 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,0,0,0,0,0|2,0,1]=3 1390 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,0,0,0,0,0|2,0,1]=3 1391 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,0,0,0,0,0|4,0,0]=4 1392 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,0,0,0,0,0|3,0,1]=4 1393 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,0,0,0,0,0|2,0,1]=3 1394 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,0,0,0,0,0|3,0,1]=4 1395 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,0,0,0,0,0|4,0,0]=4 1396 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,0,0,0,0,0|3,0,1]=4 1397 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,0,0,0,0,0|3,0,1]=4 1398 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,0,0,0,0,0|2,0,1]=3 1399 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,0,0,0,0,0|2,0,1]=3 1400 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,0,0,0,0,0|3,0,1]=4 1401 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,0,0,0,0,0|3,0,1]=4 1402 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,0,0,0,0,0|4,0,0]=4 1403 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,0,0,0,0,0|3,0,1]=4 1404 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,0,0,0,0,0|2,0,1]=3 1405 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,0,0,0,0,0|2,0,1]=3 1406 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,0,0,0,0,0|2,0,1]=3 1407 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,0,0,0,0,0|4,0,0]=4 1408 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,0,0,0,0,0|3,0,1]=4 1409 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,0,0,0,0,0|3,0,1]=4 1410 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,0,0,0,0,0|3,0,1]=4 1411 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,0,0,0,0,0|3,0,1]=4 1412 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,0,0,0,0,0|3,0,1]=4 1413 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,0,0,0,0,0|3,0,1]=4 1414 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,0,0,0,0,0|3,0,1]=4 1415 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,0,0,0,0,0|3,0,1]=4 1416 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,0,0,0,0,0|3,0,1]=4 1417 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,0,0,0,0,0|2,0,1]=3 1418 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,0,0,0,0,0|2,0,1]=3 1419 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,0,0,0,0,0|4,0,0]=4 1420 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,0,0,0,0,0|4,0,0]=4 1421 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,0,0,0,0,0|3,0,1]=4 1422 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,0,0,0,0,0|3,0,1]=4 1423 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,0,0,0,0,0|2,0,1]=3 1424 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,0,0,0,0,0|2,0,1]=3 1425 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,0,0,0,0,0|2,0,1]=3 1426 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,0,0,0,0,0|2,0,1]=3 1427 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,0,0,0,0,0|3,0,1]=4 1428 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,0,0,0,0,0|3,0,1]=4 1429 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,0,0,0,0,0|3,0,1]=4 1430 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,0,0,0,0,0|3,0,1]=4 1431 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,0,0,0,0,0|2,0,1]=3 1432 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,0,0,0,0,0|2,0,1]=3 1433 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,0,0,0,0,0|3,0,1]=4 1434 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,0,0,0,0,0|3,0,1]=4 1435 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,0,0,0,0,0|3,0,1]=4 1436 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,0,0,0,0,0|3,0,1]=4 1437 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,0,0,0,0,0|3,0,1]=4 1438 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,0,0,0,0,0|3,0,1]=4 1439 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,0,0,0,0,0|3,0,1]=4 1440 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,0,0,0,0,0|3,0,1]=4 1441 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,0,0,0,0,0|3,0,1]=4 1442 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,0,0,0,0,0|3,0,1]=4 1443 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,0,0,0,0,0|3,0,1]=4 1444 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,0,0,0,0,0|3,0,1]=4 1445 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,0,0,0,0,0|3,0,1]=4 1446 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,0,0,0,0,0|3,0,1]=4 1447 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,0,0,0,0,0|3,0,1]=4 1448 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,0,0,0,0,0|3,0,1]=4 1449 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,0,0,0,0,0|3,0,1]=4 1450 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,0,0,0,0,0|3,0,1]=4 1451 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,0,0,0,0,0|3,0,1]=4 1452 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,0,0,0,0,0|3,0,1]=4 1453 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,0,0,0,0,0|3,0,1]=4 1454 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,0,0,0,0,0|3,0,1]=4 1455 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,0,0,0,0,0|3,0,1]=4 1456 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,0,0,0,0,0|3,0,1]=4 1457 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,0,0,0,0,0|3,0,1]=4 1458 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,0,0,0,0,0|3,0,1]=4 1459 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,0,0,0,0,0|3,0,1]=4 1460 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 1461 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 1462 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 1463 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 1464 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 1465 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 1466 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,0,0,0,0,0|2,0,1]=3 1467 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,0,0,0,0,0|3,0,1]=4 1468 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,0,0,0,0,0|3,0,1]=4 1469 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,0,0,0,0,0|3,0,1]=4 1470 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,0,0,0,0,0|3,0,1]=4 1471 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,0,0,0,0,0|2,0,1]=3 1472 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,0,0,0,0,0|2,0,1]=3 1473 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,0,0,0,0,0|3,0,1]=4 1474 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,0,0,0,0,0|3,0,1]=4 1475 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,0,0,0,0,0|3,0,1]=4 1476 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,0,0,0,0,0|2,0,1]=3 1477 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,0,0,0,0,0|2,0,1]=3 1478 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,0,0,0,0,0|2,0,1]=3 1479 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,0,0,0,0,0|3,0,1]=4 1480 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,0,0,0,0,0|3,0,1]=4 1481 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,0,0,0,0,0|3,0,1]=4 1482 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,0,0,0,0,0|3,0,1]=4 1483 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,0,0,0,0,0|3,0,1]=4 1484 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,0,0,0,0,0|3,0,1]=4 1485 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,0,0,0,0,0|2,0,1]=3 1486 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,0,0,0,0,0|2,0,1]=3 1487 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,0,0,0,0,0|2,0,1]=3 1488 B11R0.3 N#CCCCNCCOCCO 2230a_100000211614_100000687738 [0,0,0,0,0,0|3,0,1]=4 1489 B11R0.3 N#CCCCNCCSCCO 2230a_100011219999_100000687738 [0,0,0,0,0,0|3,0,1]=4 1490 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,0,0,0,0,0|3,0,1]=4 1491 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,0,0,0,0,0|3,0,1]=4 1492 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,0,0,0,0,0|3,0,1]=4 1493 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,0,0,0,0,0|3,0,1]=4 1494 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,0,0,0,0,0|3,0,1]=4 1495 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,0,0,0,0,0|3,0,1]=4 1496 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,0,0,0,0,0|3,0,1]=4 1497 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,0,0,0,0,0|2,0,1]=3 1498 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,0,0,0,0,0|2,0,1]=3 1499 B11R0.3 N#CCCCSCCOCCO 62a_100000687738_100011215305 [0,0,0,0,0,0|3,0,1]=4 1500 B11R0.3 N#CCCCSCCOCCO 62a_100011215305_100000687738 [0,0,0,0,0,0|3,0,1]=4 1501 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,0,0,0,0,0|2,0,1]=3 1502 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,0,0,0,0,0|3,0,1]=4 1503 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,0,0,0,0,0|3,0,1]=4 1504 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,0,0,0,0,0|3,0,1]=4 1505 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,0,0,0,0,0|3,0,1]=4 1506 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,0,0,0,0,0|3,0,1]=4 1507 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,0,0,0,0,0|3,0,1]=4 1508 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,0,0,0,0,0|3,0,1]=4 1509 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,0,0,0,0,0|2,0,1]=3 1510 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,0,0,0,0,0|2,0,1]=3 1511 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,0,0,0,0,0|2,0,1]=3 1512 B11R0.3 N#CCNCCCOCCCO 2230a_100011310245_100011215382 [0,0,0,0,0,0|3,0,1]=4 1513 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,0,0,0,0,0|3,0,1]=4 1514 B11R0.3 N#CCOCCNCCCCO 2230a_100000750430_200000047693 [0,0,0,0,0,0|3,0,1]=4 1515 B11R0.3 N#CCOCCSCCCCO 62a_100000210776_200000047693 [0,0,0,0,0,0|3,0,1]=4 1516 B11R0.3 N#CCOCCSCCCCO 62a_200000047693_100000210776 [0,0,0,0,0,0|3,0,1]=4 1517 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,0,0,0,0,0|2,0,1]=3 1518 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,0,0,0,0,0|2,0,1]=3 1519 B11R0.3 N#CSCCSCCCCCO 62a_100000034367_100000746330 [0,0,0,0,0,0|3,0,1]=4 1520 B11R0.3 N#CSCCSCCCCCO 62a_100000746330_100000034367 [0,0,0,0,0,0|3,0,1]=4 1521 B11R0.3 N#CSCSCCCCCCO 62a_100000211825_100000766143 [0,0,0,0,0,0|3,0,1]=4 1522 B11R0.3 N#CSCSCCCCCCO 62a_100000766143_100000211825 [0,0,0,0,0,0|3,0,1]=4 1523 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,0,0,0,0,0|3,0,1]=4 1524 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,0,0,0,0,0|3,0,0]=3 1525 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|3,0,1]=4 1526 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 1527 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|3,0,1]=4 1528 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,1]=3 1529 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|3,0,1]=4 1530 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,1]=3 1531 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|3,0,1]=4 1532 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,1]=3 1533 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,1]=4 1534 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,0,0,0,0,0|3,0,1]=4 1535 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,0,0,0,0,0|2,0,1]=3 1536 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,0,0,0,0,0|4,0,0]=4 1537 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 1538 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,0,0,0,0,0|2,0,1]=3 1539 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,0,0,0,0,0|3,0,1]=4 1540 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,0,0,0,0,0|4,0,0]=4 1541 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,0,0,0,0,0|3,0,0]=3 1542 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,0,0,0,0,0|3,0,0]=3 1543 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,0,0,0,0,0|3,0,0]=3 1544 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,0,0,0,0,0|3,0,0]=3 1545 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,0,0,0,0,0|2,0,0]=2 1546 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,0,0,0,0,0|2,0,0]=2 1547 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,0,0,0,0,0|2,0,0]=2 1548 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,0,0,0,0,0|3,0,0]=3 1549 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,0,0,0,0,0|3,0,0]=3 1550 B11R0.3 O=CCCCCSCC#CCO 62a_100000139335_200000047223 [0,0,0,0,0,0|2,0,2]=4 1551 B11R0.3 O=CCCCCSCC#CCO 62a_200000047223_100000139335 [0,0,0,0,0,0|2,0,2]=4 1552 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,0,0,0,0,0|2,0,2]=4 1553 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,0,0,0,0,0|2,0,2]=4 1554 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,0,0,0,0,0|3,0,0]=3 1555 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,0,0,0,0,0|3,0,0]=3 1556 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,0,0,0,0,0|2,0,0]=2 1557 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,0,0,0,0,0|2,0,0]=2 1558 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,0,0,0,0,0|2,0,0]=2 1559 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,0,0,0,0,0|3,0,0]=3 1560 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,0,0,0,0,0|3,0,0]=3 1561 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,0,0,0,0,0|3,0,0]=3 1562 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,0,0,0,0,0|3,0,0]=3 1563 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,0,0,0,0,0|3,0,0]=3 1564 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,0,0,0,0,0|4,0,0]=4 1565 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,0,0,0,0,0|4,0,0]=4 1566 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,0,0,0,0,0|4,0,0]=4 1567 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,0,0,0,0,0|4,0,0]=4 1568 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,0,0,0,0,0|3,0,0]=3 1569 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,0,0,0,0,0|3,0,0]=3 1570 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,0,0,0,0,0|2,0,0]=2 1571 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,0,0,0,0,0|2,0,0]=2 1572 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,0,0,0,0,0|3,0,0]=3 1573 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,0,0,0,0,0|3,0,0]=3 1574 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,0,0,0,0,0|2,0,0]=2 1575 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,0]=2 1576 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,0,0,0,0,0|3,0,0]=3 1577 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,0]=3 1578 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,0,0,0,0,0|3,0,0]=3 1579 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,0,0,0,0,0|3,0,0]=3 1580 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,0,0,0,0,0|2,0,0]=2 1581 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,0,0,0,0,0|2,0,0]=2 1582 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,0,0,0,0,0|2,0,1]=3 1583 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,0,0,0,0,0|2,0,1]=3 1584 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,0,0,0,0,0|2,0,1]=3 1585 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,0,0,0,0,0|2,0,1]=3 1586 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,0,0,0,0,0|2,0,1]=3 1587 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|2,0,1]=3 1588 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 1589 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,0,0,0,0,0|2,0,1]=3 1590 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 1591 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,0,0,0,0,0|2,0,1]=3 1592 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,0,0,0,0,0|2,0,1]=3 1593 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,0,0,0,0,0|2,0,1]=3 1594 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,0,0,0,0,0|2,0,1]=3 1595 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,0,0,0,0,0|2,0,1]=3 1596 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 1597 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,0,0,0,0,0|2,0,1]=3 1598 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,0,0,0,0,0|2,0,1]=3 1599 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|2,0,1]=3 1600 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,0,0,0,0,0|2,0,1]=3 1601 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,0,0,0,0,0|2,0,1]=3 1602 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,1]=3 1603 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,0,0,0,0,0|2,0,1]=3 1604 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,0,0,0,0,0|2,0,1]=3 1605 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,0,0,0,0,0|2,0,1]=3 1606 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,0,0,0,0,0|2,0,1]=3 1607 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,0,0,0,0,0|2,0,1]=3 1608 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,0,0,0,0,0|2,0,1]=3 1609 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,0,0,0,0,0|2,0,1]=3 1610 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,0,0,0,0,0|2,0,1]=3 1611 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|2,0,1]=3 1612 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,0,0,0,0,0|2,0,1]=3 1613 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,0,0,0,0,0|2,0,1]=3 1614 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,1]=3 1615 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,1]=3 1616 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,0,0,0,0,0|2,0,1]=3 1617 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,0,0,0,0,0|2,0,1]=3 1618 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,0,0,0,0,0|2,0,1]=3 1619 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,0,0,0,0,0|2,0,1]=3 1620 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,0,0,0,0,0|2,0,1]=3 1621 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,0,0,0,0,0|2,0,1]=3 1622 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,0,0,0,0,0|2,0,1]=3 1623 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,0,0,0,0,0|2,0,1]=3 1624 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,0,0,0,0,0|2,0,1]=3 1625 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,0,0,0,0,0|2,0,1]=3 1626 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,0,0,0,0,0|2,0,1]=3 1627 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|2,0,1]=3 1628 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,0,0,0,0,0|3,0,1]=4 1629 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,0,0,0,0,0|3,0,1]=4 1630 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,0,0,0,0,0|3,0,1]=4 1631 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,1]=4 1632 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,0,0,0,0,0|3,0,1]=4 1633 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,0,0,0,0,0|2,0,1]=3 1634 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,0,0,0,0,0|2,0,1]=3 1635 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,0,0,0,0,0|2,0,1]=3 1636 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,0,0,0,0,0|2,0,1]=3 1637 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,0,0,0,0,0|2,0,1]=3 1638 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,0,0,0,0,0|2,0,1]=3 1639 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,0,0,0,0,0|3,0,1]=4 1640 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,0,0,0,0,0|3,0,1]=4 1641 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,0,0,0,0,0|3,0,1]=4 1642 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,0,0,0,0,0|3,0,1]=4 1643 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,0,0,0,0,0|3,0,1]=4 1644 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,0,0,0,0,0|3,0,1]=4 1645 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,0,0,0,0,0|3,0,1]=4 1646 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,0,0,0,0,0|3,0,1]=4 1647 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,0,0,0,0,0|2,0,1]=3 1648 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,0,0,0,0,0|2,0,1]=3 1649 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,0,0,0,0,0|3,0,1]=4 1650 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,0,0,0,0,0|3,0,1]=4 1651 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,0,0,0,0,0|2,0,1]=3 1652 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,0,0,0,0,0|2,0,1]=3 1653 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,0,0,0,0,0|2,0,1]=3 1654 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,0,0,0,0,0|2,0,1]=3 1655 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,0,0,0,0,0|2,0,1]=3 1656 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,0,0,0,0,0|2,0,1]=3 1657 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,0,0,0,0,0|3,0,1]=4 1658 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,0,0,0,0,0|3,0,1]=4 1659 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 1660 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 1661 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,0,0,0,0,0|2,0,1]=3 1662 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,0,0,0,0,0|2,0,1]=3 1663 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 1664 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 1665 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,0,0,0,0,0|3,0,1]=4 1666 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,0,0,0,0,0|3,0,1]=4 1667 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,0,0,0,0,0|3,0,1]=4 1668 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,0,0,0,0,0|3,0,1]=4 1669 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,0,0,0,0,0|3,0,1]=4 1670 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,0,0,0,0,0|3,0,1]=4 1671 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,0,0,0,0,0|3,0,1]=4 1672 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,0,0,0,0,0|3,0,1]=4 1673 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,0,0,0,0,0|3,0,1]=4 1674 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,0,0,0,0,0|3,0,1]=4 1675 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,0,0,0,0,0|3,0,1]=4 1676 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,0,0,0,0,0|1,0,1]=2 1677 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,0,0,0,0,0|1,0,1]=2 1678 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,0,0,0,0,0|3,0,1]=4 1679 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,0,0,0,0,0|3,0,1]=4 1680 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|2,0,1]=3 1681 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|2,0,1]=3 1682 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|2,0,1]=3 1683 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|2,0,1]=3 1684 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|2,0,1]=3 1685 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,0,0,0,0,0|1,0,1]=2 1686 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,0,0,0,0,0|1,0,1]=2 1687 B11R0.3 [N-]=[N+]=NCCCCNCCCO 2230a_100000101370_100000230001 [0,0,0,0,0,0|4,0,0]=4 1688 B11R0.3 [N-]=[N+]=NCCCNCCCCO 2230a_100000744732_100000210776 [0,0,0,0,0,0|4,0,0]=4 1689 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 1690 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,0,0,0,0,0|1,0,2]=4 1691 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 1692 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 1693 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|1,0,2]=4 1694 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 1695 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 1696 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 1697 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,0,0,0,0,0|1,0,2]=4 1698 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,0,0,0,0,0|1,0,2]=4 1699 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,0,0,0,0,0|1,0,2]=4 1700 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,0,0,0,0,0|1,0,2]=4 1701 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,0,0,0,0,0|1,0,2]=4 1702 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 1703 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|1,0,2]=4 1704 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 1705 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,0,0,0,0,0|1,0,2]=4 1706 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,0,0,0,0,0|1,0,2]=4 1707 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [1,0,0,0,0,0|1,0,2]=4 1708 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [1,0,0,0,0,0|1,0,2]=4 1709 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [1,0,0,0,0,0|1,0,2]=4 1710 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,0,0,0,0,0|1,0,2]=4 1711 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,0,0,0,0,0|1,0,2]=4 1712 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,0,0,0,0,0|1,0,2]=4 1713 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|1,0,2]=4 1714 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 1715 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 1716 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [1,0,0,0,0,0|1,0,2]=4 1717 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [1,0,0,0,0,0|1,0,2]=4 1718 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [1,0,0,0,0,0|1,0,2]=4 1719 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [1,0,0,0,0,0|1,0,2]=4 1720 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,0,0,0,0,0|1,0,2]=4 1721 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,0,0,0,0,0|1,0,2]=4 1722 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [1,0,0,0,0,0|1,0,2]=4 1723 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [1,0,0,0,0,0|1,0,2]=4 1724 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [1,0,0,0,0,0|1,0,2]=4 1725 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [1,0,0,0,0,0|1,0,2]=4 1726 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [1,0,0,0,0,0|1,0,2]=4 1727 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,0,0,0,0,0|1,0,2]=4 1728 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,0,0,0,0,0|1,0,2]=4 1729 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,0,0,0,0,0|1,0,2]=4 1730 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,0,0,0,0,0|1,0,2]=4 1731 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [1,0,0,0,0,0|1,0,2]=4 1732 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [1,0,0,0,0,0|1,0,2]=4 1733 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [1,0,0,0,0,0|1,0,2]=4 1734 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [1,0,0,0,0,0|1,0,2]=4 1735 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [1,0,0,0,0,0|1,0,2]=4 1736 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 1737 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|1,0,2]=4 1738 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 1739 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|1,0,2]=4 1740 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [1,0,0,0,0,0|1,0,2]=4 1741 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [1,0,0,0,0,0|1,0,2]=4 1742 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [1,0,0,0,0,0|1,0,2]=4 1743 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [1,0,0,0,0,0|1,0,2]=4 1744 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,0,0,0,0,0|1,0,2]=4 1745 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,0,0,0,0,0|1,0,2]=4 1746 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [1,0,0,0,0,0|1,0,2]=4 1747 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [1,0,0,0,0,0|1,0,2]=4 1748 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [1,0,0,0,0,0|1,0,2]=4 1749 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [1,0,0,0,0,0|1,0,2]=4 1750 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [1,0,0,0,0,0|1,0,2]=4 1751 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,0,0,0,0,0|1,0,2]=4 1752 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,0,0,0,0,0|1,0,2]=4 1753 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [1,0,0,0,0,0|1,0,2]=4 1754 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [1,0,0,0,0,0|1,0,2]=4 1755 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [1,0,0,0,0,0|1,0,2]=4 1756 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [1,0,0,0,0,0|1,0,2]=4 1757 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [1,0,0,0,0,0|1,0,2]=4 1758 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [1,0,0,0,0,0|1,0,2]=4 1759 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [1,0,0,0,0,0|1,0,2]=4 1760 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,0,0,0,0,0|1,0,2]=4 1761 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,0,0,0,0,0|1,0,2]=4 1762 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,0,0,0,0,0|1,0,2]=4 1763 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,0,0,0,0,0|1,0,2]=4 1764 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [1,0,0,0,0,0|1,0,2]=4 1765 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [1,0,0,0,0,0|1,0,2]=4 1766 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [1,0,0,0,0,0|1,0,2]=4 1767 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [1,0,0,0,0,0|1,0,2]=4 1768 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,0,0,0,0,0|1,0,2]=4 1769 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,0,0,0,0,0|1,0,2]=4 1770 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [1,0,0,0,0,0|1,0,2]=4 1771 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [1,0,0,0,0,0|1,0,2]=4 1772 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [1,0,0,0,0,0|1,0,2]=4 1773 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [1,0,0,0,0,0|1,0,2]=4 1774 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [1,0,0,0,0,0|1,0,2]=4 1775 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,0,0,0,0,0|1,0,2]=4 1776 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,0,0,0,0,0|1,0,2]=4 1777 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [1,0,0,0,0,0|1,0,2]=4 1778 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [1,0,0,0,0,0|1,0,2]=4 1779 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [1,0,0,0,0,0|1,0,2]=4 1780 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [1,0,0,0,0,0|1,0,2]=4 1781 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [1,0,0,0,0,0|1,0,2]=4 1782 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [1,0,0,0,0,0|1,0,2]=4 1783 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 1784 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|1,0,2]=4 1785 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 1786 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [1,0,0,0,0,0|1,0,2]=4 1787 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [1,0,0,0,0,0|1,0,2]=4 1788 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [1,0,0,0,0,0|1,0,2]=4 1789 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,0,0,0,0,0|1,0,2]=4 1790 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,0,0,0,0,0|1,0,2]=4 1791 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [1,0,0,0,0,0|1,0,2]=4 1792 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [1,0,0,0,0,0|1,0,2]=4 1793 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [1,0,0,0,0,0|1,0,2]=4 1794 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,0,0,0,0,0|1,0,2]=4 1795 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,0,0,0,0,0|1,0,2]=4 1796 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [1,0,0,0,0,0|1,0,2]=4 1797 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [1,0,0,0,0,0|1,0,2]=4 1798 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [1,0,0,0,0,0|1,0,2]=4 1799 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [1,0,0,0,0,0|1,0,2]=4 1800 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [1,0,0,0,0,0|1,0,2]=4 1801 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [1,0,0,0,0,0|1,0,2]=4 1802 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|1,0,2]=4 1803 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|1,0,2]=4 1804 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|1,0,2]=4 1805 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [1,0,0,0,0,0|1,0,2]=4 1806 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [1,0,0,0,0,0|1,0,2]=4 1807 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,0,0,0,0,0|1,0,2]=4 1808 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [1,0,0,0,0,0|1,0,2]=4 1809 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|1,0,2]=4 1810 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|1,0,2]=4 1811 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|1,0,2]=4 1812 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 1813 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|1,0,2]=4 1814 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 1815 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|1,0,2]=4 1816 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|1,0,2]=4 1817 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|1,0,2]=4 1818 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|1,0,2]=4 1819 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|1,0,2]=4 1820 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [1,0,0,0,0,0|1,0,2]=4 1821 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [1,0,0,0,0,0|1,0,2]=4 1822 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [1,0,0,0,0,0|2,0,1]=4 1823 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,0]=2 1824 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,0]=2 1825 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,0]=2 1826 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,0]=2 1827 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,0]=2 1828 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,0]=2 1829 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,0]=2 1830 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,0]=2 1831 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,0]=2 1832 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,0]=2 1833 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,0]=2 1834 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,0]=2 1835 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,0]=2 1836 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,0]=2 1837 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,0]=2 1838 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,0]=2 1839 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|2,0,0]=3 1840 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|2,0,0]=3 1841 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,0]=2 1842 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,0]=2 1843 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|2,0,0]=3 1844 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|2,0,0]=3 1845 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [1,0,0,0,0,0|1,0,2]=4 1846 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|2,0,0]=3 1847 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|1,0,0]=2 1848 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|1,0,0]=2 1849 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [1,0,0,0,0,0|2,0,1]=4 1850 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,0,0,0,0,0|1,0,2]=4 1851 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,0,0,0,0,0|1,0,2]=4 1852 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,0,0,0,0,0|1,0,2]=4 1853 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,2]=4 1854 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,2]=4 1855 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|2,0,0]=3 1856 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,0]=2 1857 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,0]=2 1858 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,0]=2 1859 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|2,0,0]=3 1860 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|2,0,0]=3 1861 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|2,0,0]=3 1862 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|1,0,0]=2 1863 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|1,0,0]=2 1864 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|2,0,0]=3 1865 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [1,0,0,0,0,0|2,0,1]=4 1866 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [1,0,0,0,0,0|2,0,1]=4 1867 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [1,0,0,0,0,0|1,0,2]=4 1868 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [1,0,0,0,0,0|1,0,2]=4 1869 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,2]=4 1870 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,2]=4 1871 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,0]=2 1872 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,0]=2 1873 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|2,0,0]=3 1874 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|2,0,0]=3 1875 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|1,0,0]=2 1876 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|1,0,0]=2 1877 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|2,0,0]=3 1878 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|2,0,0]=3 1879 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|2,0,0]=3 1880 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|2,0,0]=3 1881 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,0,0,0,0,0|1,0,2]=4 1882 B10R0.71 C=CCCCCNCC#CC 2230a_100000685387_100011215482 [1,0,0,0,0,0|1,0,2]=4 1883 B10R0.71 C=CCCCCNCC#CC 2230a_100000703577_100000748600 [1,0,0,0,0,0|1,0,2]=4 1884 B10R0.71 C=CCCCCNCC#CC 34a_100000685387_100011215482 [1,0,0,0,0,0|1,0,2]=4 1885 B10R0.71 C=CCCCCNCC#CC 34a_100000703577_100000748600 [1,0,0,0,0,0|1,0,2]=4 1886 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,0,0,0,0,0|1,0,2]=4 1887 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,0,0,0,0,0|1,0,2]=4 1888 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [1,0,0,0,0,0|2,0,1]=4 1889 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [1,0,0,0,0,0|1,0,2]=4 1890 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [1,0,0,0,0,0|1,0,2]=4 1891 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [1,0,0,0,0,0|1,0,2]=4 1892 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,0]=2 1893 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,0]=2 1894 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,0]=2 1895 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,0]=2 1896 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|2,0,0]=3 1897 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|2,0,0]=3 1898 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|2,0,0]=3 1899 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|2,0,0]=3 1900 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|1,0,0]=2 1901 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|1,0,0]=2 1902 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|2,0,0]=3 1903 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|2,0,0]=3 1904 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|2,0,0]=3 1905 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|2,0,0]=3 1906 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|2,0,0]=3 1907 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|2,0,0]=3 1908 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,0,0,0,0,0|1,0,2]=4 1909 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,0,0,0,0,0|1,0,2]=4 1910 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,0,0,0,0,0|1,0,2]=4 1911 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [1,0,0,0,0,0|1,0,2]=4 1912 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [1,0,0,0,0,0|1,0,2]=4 1913 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [1,0,0,0,0,0|1,0,2]=4 1914 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,0,0,0,0,0|1,0,2]=4 1915 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,0,0,0,0,0|1,0,2]=4 1916 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [1,0,0,0,0,0|2,0,1]=4 1917 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [1,0,0,0,0,0|1,0,2]=4 1918 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [1,0,0,0,0,0|1,0,2]=4 1919 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [1,0,0,0,0,0|1,0,2]=4 1920 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|2,0,0]=3 1921 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,0]=2 1922 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,0]=2 1923 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,0]=2 1924 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,0]=2 1925 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|2,0,0]=3 1926 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|2,0,0]=3 1927 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|2,0,0]=3 1928 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|2,0,0]=3 1929 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|2,0,0]=3 1930 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|1,0,0]=2 1931 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|1,0,0]=2 1932 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|2,0,0]=3 1933 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|2,0,0]=3 1934 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|2,0,0]=3 1935 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [1,0,0,0,0,0|3,0,0]=4 1936 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|2,0,0]=3 1937 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|2,0,0]=3 1938 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|2,0,0]=3 1939 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|2,0,0]=3 1940 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,0,0,0,0,0|1,0,2]=4 1941 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,0,0,0,0,0|1,0,2]=4 1942 B10R0.71 C=CCCCCSCC#CC 62a_100000748600_100011215482 [1,0,0,0,0,0|1,0,2]=4 1943 B10R0.71 C=CCCCCSCC#CC 62a_100011215482_100000748600 [1,0,0,0,0,0|1,0,2]=4 1944 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,0,0,0,0,0|1,0,2]=4 1945 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,0,0,0,0,0|1,0,2]=4 1946 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [1,0,0,0,0,0|2,0,1]=4 1947 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [1,0,0,0,0,0|2,0,1]=4 1948 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [1,0,0,0,0,0|1,0,2]=4 1949 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [1,0,0,0,0,0|1,0,2]=4 1950 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,0]=2 1951 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,0]=2 1952 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|2,0,0]=3 1953 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|2,0,0]=3 1954 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|1,0,0]=2 1955 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|1,0,0]=2 1956 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|2,0,0]=3 1957 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|2,0,0]=3 1958 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|2,0,0]=3 1959 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|2,0,0]=3 1960 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,0,0,0,0,0|2,0,0]=3 1961 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,0,0,0,0,0|2,0,0]=3 1962 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [1,0,0,0,0,0|1,0,2]=4 1963 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [1,0,0,0,0,0|1,0,2]=4 1964 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [1,0,0,0,0,0|1,0,2]=4 1965 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [1,0,0,0,0,0|1,0,2]=4 1966 B10R0.71 C=CCCCNCC#CCO 2230a_100000700776_200000047223 [1,0,0,0,0,0|1,0,2]=4 1967 B10R0.71 C=CCCCNCC#CCO 34a_100000700776_200000047223 [1,0,0,0,0,0|1,0,2]=4 1968 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [1,0,0,0,0,0|2,0,1]=4 1969 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [1,0,0,0,0,0|1,0,2]=4 1970 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [1,0,0,0,0,0|1,0,2]=4 1971 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,2]=4 1972 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,0]=2 1973 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,0]=2 1974 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,0]=2 1975 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|2,0,0]=3 1976 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|2,0,0]=3 1977 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|1,0,0]=2 1978 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|1,0,0]=2 1979 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|1,0,0]=2 1980 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|1,0,0]=2 1981 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|2,0,0]=3 1982 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|2,0,0]=3 1983 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|2,0,0]=3 1984 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|2,0,0]=3 1985 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,0,0,0,0,0|2,0,0]=3 1986 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,0,0,0,0,0|2,0,0]=3 1987 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,0,0,0,0,0|2,0,0]=3 1988 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,0,0,0,0,0|2,0,0]=3 1989 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,0,0,0,0,0|2,0,0]=3 1990 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,0,0,0,0,0|2,0,0]=3 1991 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,0,0,0,0,0|2,0,0]=3 1992 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [1,0,0,0,0,0|1,0,2]=4 1993 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [1,0,0,0,0,0|1,0,2]=4 1994 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [1,0,0,0,0,0|1,0,2]=4 1995 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [1,0,0,0,0,0|1,0,2]=4 1996 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [1,0,0,0,0,0|1,0,2]=4 1997 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [1,0,0,0,0,0|1,0,2]=4 1998 B10R0.71 C=CCCCOCC#CCO 34a_100000758997_200000047223 [1,0,0,0,0,0|1,0,2]=4 1999 B10R0.71 C=CCCCOCC#CCO 7a_100000758997_200000047223 [1,0,0,0,0,0|1,0,2]=4 2000 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,0,0,0,0,0|1,0,2]=4 2001 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [1,0,0,0,0,0|1,0,2]=4 2002 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [1,0,0,0,0,0|2,0,1]=4 2003 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [1,0,0,0,0,0|1,0,2]=4 2004 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [1,0,0,0,0,0|1,0,2]=4 2005 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,2]=4 2006 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|2,0,0]=3 2007 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,0]=2 2008 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,0]=2 2009 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,0]=2 2010 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,0]=2 2011 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|2,0,0]=3 2012 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|2,0,0]=3 2013 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|2,0,0]=3 2014 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|2,0,0]=3 2015 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|2,0,0]=3 2016 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|2,0,0]=3 2017 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|2,0,0]=3 2018 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,0]=3 2019 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|1,0,0]=2 2020 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|1,0,0]=2 2021 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|2,0,0]=3 2022 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|2,0,0]=3 2023 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|2,0,0]=3 2024 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|2,0,0]=3 2025 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|2,0,0]=3 2026 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|2,0,0]=3 2027 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,0,0,0,0,0|2,0,0]=3 2028 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,0,0,0,0,0|2,0,0]=3 2029 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,0,0,0,0,0|2,0,0]=3 2030 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,0,0,0,0,0|2,0,0]=3 2031 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,0,0,0,0,0|2,0,0]=3 2032 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,0,0,0,0,0|2,0,0]=3 2033 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,0,0,0,0,0|2,0,0]=3 2034 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,0,0,0,0,0|2,0,0]=3 2035 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [1,0,0,0,0,0|1,0,2]=4 2036 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [1,0,0,0,0,0|1,0,2]=4 2037 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [1,0,0,0,0,0|1,0,2]=4 2038 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [1,0,0,0,0,0|1,0,2]=4 2039 B10R0.71 C=CCCCSCC#CCO 62a_100011713584_200000047223 [1,0,0,0,0,0|1,0,2]=4 2040 B10R0.71 C=CCCCSCC#CCO 62a_200000047223_100000757094 [1,0,0,0,0,0|1,0,2]=4 2041 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [1,0,0,0,0,0|2,0,1]=4 2042 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [1,0,0,0,0,0|2,0,1]=4 2043 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [1,0,0,0,0,0|1,0,2]=4 2044 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,2]=4 2045 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,2]=4 2046 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,0]=2 2047 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,0]=2 2048 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|2,0,0]=3 2049 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|2,0,0]=3 2050 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|1,0,0]=2 2051 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|1,0,0]=2 2052 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|2,0,0]=3 2053 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|2,0,0]=3 2054 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,0,0,0,0,0|2,0,0]=3 2055 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,0,0,0,0,0|2,0,0]=3 2056 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,0,0,0,0,0|2,0,0]=3 2057 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,0,0,0,0,0|2,0,0]=3 2058 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [1,0,0,0,0,0|1,0,2]=4 2059 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [1,0,0,0,0,0|2,0,1]=4 2060 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,2]=4 2061 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,0]=2 2062 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,0]=2 2063 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|2,0,0]=3 2064 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|1,0,0]=2 2065 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|1,0,0]=2 2066 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|1,0,0]=2 2067 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|2,0,0]=3 2068 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|2,0,0]=3 2069 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|2,0,0]=3 2070 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|2,0,0]=3 2071 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|2,0,0]=3 2072 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|2,0,0]=3 2073 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|2,0,0]=3 2074 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [1,0,0,0,0,0|2,0,0]=3 2075 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [1,0,0,0,0,0|2,0,0]=3 2076 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [1,0,0,0,0,0|2,0,0]=3 2077 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|2,0,0]=3 2078 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [1,0,0,0,0,0|2,0,0]=3 2079 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|2,0,0]=3 2080 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [1,0,0,0,0,0|3,0,0]=4 2081 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [1,0,0,0,0,0|1,0,2]=4 2082 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [1,0,0,0,0,0|1,0,2]=4 2083 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [1,0,0,0,0,0|1,0,2]=4 2084 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [1,0,0,0,0,0|1,0,2]=4 2085 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [1,0,0,0,0,0|1,0,2]=4 2086 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [1,0,0,0,0,0|1,0,2]=4 2087 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [1,0,0,0,0,0|1,0,2]=4 2088 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [1,0,0,0,0,0|1,0,2]=4 2089 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [1,0,0,0,0,0|1,0,2]=4 2090 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,0,0,0,0,0|1,0,2]=4 2091 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|2,0,0]=3 2092 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|2,0,0]=3 2093 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,0]=2 2094 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,0]=2 2095 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,0]=2 2096 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|2,0,0]=3 2097 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|2,0,0]=3 2098 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|2,0,0]=3 2099 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|2,0,0]=3 2100 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|2,0,0]=3 2101 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,0]=3 2102 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|1,0,0]=2 2103 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|2,0,0]=3 2104 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|2,0,0]=3 2105 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|2,0,0]=3 2106 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|2,0,0]=3 2107 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|2,0,0]=3 2108 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|2,0,0]=3 2109 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|2,0,0]=3 2110 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|2,0,0]=3 2111 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|2,0,0]=3 2112 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [1,0,0,0,0,0|3,0,0]=4 2113 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [1,0,0,0,0,0|3,0,0]=4 2114 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|2,0,0]=3 2115 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|2,0,0]=3 2116 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|2,0,0]=3 2117 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [1,0,0,0,0,0|3,0,0]=4 2118 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [1,0,0,0,0,0|3,0,0]=4 2119 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [1,0,0,0,0,0|3,0,0]=4 2120 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [1,0,0,0,0,0|3,0,0]=4 2122 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [1,0,0,0,0,0|3,0,0]=4 2123 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [1,0,0,0,0,0|3,0,0]=4 2124 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [1,0,0,0,0,0|2,0,0]=3 2125 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|2,0,0]=3 2126 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|2,0,0]=3 2127 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|2,0,0]=3 2128 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [1,0,0,0,0,0|1,0,2]=4 2129 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [1,0,0,0,0,0|1,0,2]=4 2130 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [1,0,0,0,0,0|2,0,1]=4 2131 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [1,0,0,0,0,0|2,0,1]=4 2132 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,2]=4 2133 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,2]=4 2134 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,0]=2 2135 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,0]=2 2136 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|2,0,0]=3 2137 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|2,0,0]=3 2138 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|1,0,0]=2 2139 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|1,0,0]=2 2140 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|2,0,0]=3 2141 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|2,0,0]=3 2142 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|2,0,0]=3 2143 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|2,0,0]=3 2144 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|2,0,0]=3 2145 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|2,0,0]=3 2146 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [1,0,0,0,0,0|2,0,0]=3 2147 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [1,0,0,0,0,0|2,0,0]=3 2148 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|2,0,0]=3 2149 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|2,0,0]=3 2150 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [1,0,0,0,0,0|3,0,0]=4 2151 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [1,0,0,0,0,0|3,0,0]=4 2152 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [1,0,0,0,0,0|2,0,1]=4 2153 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,2]=4 2154 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,0]=2 2155 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,0]=2 2156 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,0]=3 2157 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|1,0,0]=2 2158 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|1,0,0]=2 2159 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|1,0,0]=2 2160 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|2,0,0]=3 2161 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|2,0,0]=3 2162 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|2,0,0]=3 2163 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|2,0,0]=3 2164 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|2,0,0]=3 2165 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [1,0,0,0,0,0|3,0,0]=4 2166 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [1,0,0,0,0,0|3,0,0]=4 2167 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [1,0,0,0,0,0|3,0,0]=4 2168 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|2,0,0]=3 2169 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [1,0,0,0,0,0|1,0,2]=4 2170 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [1,0,0,0,0,0|1,0,2]=4 2171 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [1,0,0,0,0,0|1,0,2]=4 2172 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [1,0,0,0,0,0|1,0,2]=4 2173 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [1,0,0,0,0,0|1,0,2]=4 2174 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [1,0,0,0,0,0|1,0,2]=4 2175 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [1,0,0,0,0,0|1,0,2]=4 2176 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [1,0,0,0,0,0|1,0,2]=4 2177 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|2,0,0]=3 2178 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|2,0,0]=3 2179 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,0]=2 2180 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,0]=2 2181 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,0]=2 2182 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|2,0,0]=3 2183 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|2,0,0]=3 2184 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|2,0,0]=3 2185 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|2,0,0]=3 2186 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|2,0,0]=3 2187 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,0]=3 2188 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|1,0,0]=2 2189 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|2,0,0]=3 2190 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|2,0,0]=3 2191 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|2,0,0]=3 2192 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|2,0,0]=3 2193 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|2,0,0]=3 2194 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|2,0,0]=3 2195 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [1,0,0,0,0,0|3,0,0]=4 2196 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [1,0,0,0,0,0|3,0,0]=4 2197 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,0,0,0,0,0|2,0,0]=3 2198 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,0,0,0,0,0|2,0,0]=3 2199 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [1,0,0,0,0,0|3,0,0]=4 2200 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [1,0,0,0,0,0|3,0,0]=4 2201 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [1,0,0,0,0,0|3,0,0]=4 2202 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [1,0,0,0,0,0|3,0,0]=4 2203 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [1,0,0,0,0,0|3,0,0]=4 2204 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [1,0,0,0,0,0|3,0,0]=4 2205 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [1,0,0,0,0,0|3,0,0]=4 2206 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [1,0,0,0,0,0|3,0,0]=4 2207 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [1,0,0,0,0,0|3,0,0]=4 2208 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [1,0,0,0,0,0|3,0,0]=4 2209 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [1,0,0,0,0,0|3,0,0]=4 2210 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [1,0,0,0,0,0|3,0,0]=4 2211 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|2,0,0]=3 2212 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|2,0,0]=3 2213 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [1,0,0,0,0,0|2,0,1]=4 2214 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [1,0,0,0,0,0|2,0,1]=4 2215 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,2]=4 2216 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,2]=4 2217 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,0]=2 2218 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,0]=2 2219 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|2,0,0]=3 2220 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|2,0,0]=3 2221 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|1,0,0]=2 2222 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|1,0,0]=2 2223 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|2,0,0]=3 2224 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|2,0,0]=3 2225 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [1,0,0,0,0,0|3,0,0]=4 2226 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [1,0,0,0,0,0|3,0,0]=4 2227 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|2,0,0]=3 2228 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|2,0,0]=3 2229 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [1,0,0,0,0,0|3,0,0]=4 2230 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [1,0,0,0,0,0|3,0,0]=4 2231 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,0,0,0,0,0|2,0,0]=3 2232 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,0,0,0,0,0|2,0,0]=3 2233 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [1,0,0,0,0,0|3,0,0]=4 2234 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|2,0,0]=3 2235 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|2,0,0]=3 2236 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [1,0,0,0,0,0|3,0,0]=4 2237 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [1,0,0,0,0,0|3,0,0]=4 2238 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,0,0,0,0,0|2,0,0]=3 2239 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,0,0,0,0,0|2,0,0]=3 2240 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [1,0,0,0,0,0|3,0,0]=4 2241 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [1,0,0,0,0,0|3,0,0]=4 2242 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [1,0,0,0,0,0|3,0,0]=4 2243 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [1,0,0,0,0,0|3,0,0]=4 2244 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|2,0,0]=3 2245 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,0,0,0,0,0|2,0,0]=3 2246 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,0,0,0,0,0|2,0,0]=3 2247 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [1,0,0,0,0,0|3,0,0]=4 2248 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [1,0,0,0,0,0|3,0,0]=4 2249 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [1,0,0,0,0,0|3,0,0]=4 2250 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [1,0,0,0,0,0|3,0,0]=4 2251 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [1,0,0,0,0,0|3,0,0]=4 2252 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [1,0,0,0,0,0|3,0,0]=4 2253 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|2,0,0]=3 2254 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|2,0,0]=3 2255 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|2,0,0]=3 2256 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [1,0,0,0,0,0|3,0,0]=4 2257 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [1,0,0,0,0,0|3,0,0]=4 2258 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [1,0,0,0,0,0|3,0,0]=4 2259 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [1,0,0,0,0,0|3,0,0]=4 2260 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [1,0,0,0,0,0|3,0,0]=4 2261 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [1,0,0,0,0,0|3,0,0]=4 2262 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [1,0,0,0,0,0|3,0,0]=4 2263 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,0,0,0,0,0|2,0,0]=3 2264 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [1,0,0,0,0,0|3,0,0]=4 2265 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [1,0,0,0,0,0|3,0,0]=4 2266 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [1,0,0,0,0,0|3,0,0]=4 2267 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [1,0,0,0,0,0|3,0,0]=4 2268 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [1,0,0,0,0,0|3,0,0]=4 2269 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [1,0,0,0,0,0|3,0,0]=4 2270 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [1,0,0,0,0,0|3,0,0]=4 2271 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [1,0,0,0,0,0|3,0,0]=4 2272 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [1,0,0,0,0,0|3,0,0]=4 2273 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [1,0,0,0,0,0|3,0,0]=4 2274 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [1,0,0,0,0,0|3,0,0]=4 2275 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [1,0,0,0,0,0|3,0,0]=4 2276 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [1,0,0,0,0,0|3,0,0]=4 2277 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|2,0,0]=3 2278 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|2,0,0]=3 2279 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [1,0,0,0,0,0|3,0,0]=4 2280 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [1,0,0,0,0,0|3,0,0]=4 2281 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,0,0,0,0,0|2,0,0]=3 2282 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,0,0,0,0,0|2,0,0]=3 2283 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [1,0,0,0,0,0|3,0,0]=4 2284 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [1,0,0,0,0,0|3,0,0]=4 2285 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [1,0,0,0,0,0|3,0,0]=4 2286 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [1,0,0,0,0,0|3,0,0]=4 2287 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [1,0,0,0,0,0|3,0,0]=4 2288 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [1,0,0,0,0,0|3,0,0]=4 2289 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|1,0,2]=4 2290 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|1,0,2]=4 2291 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|1,0,2]=4 2292 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|1,0,2]=4 2293 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|1,0,2]=4 2294 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 2295 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 2296 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|1,0,2]=4 2297 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|1,0,2]=4 2298 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|1,0,2]=4 2299 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|1,0,2]=4 2300 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 2301 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,1]=3 2302 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 2303 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,1]=3 2304 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,1]=3 2305 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 2306 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 2307 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 2308 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,1]=3 2309 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 2310 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 2311 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 2312 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,1]=3 2313 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,1]=3 2314 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,2]=4 2315 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,2]=4 2316 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,2]=4 2317 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,1]=4 2318 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|1,0,2]=4 2319 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|1,0,2]=4 2320 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|1,0,2]=4 2321 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 2322 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 2323 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|1,0,2]=4 2324 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|1,0,2]=4 2325 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,1]=4 2326 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,1]=4 2327 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,0,0,0,0,0|2,0,1]=4 2328 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|2,0,0]=3 2329 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|1,0,2]=4 2330 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,1]=4 2331 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,1]=4 2332 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,1]=3 2333 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,1]=3 2334 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,1]=3 2335 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|2,0,1]=4 2336 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|2,0,1]=4 2337 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|2,0,1]=4 2338 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|2,0,0]=3 2339 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|2,0,0]=3 2340 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,1]=4 2341 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|1,0,2]=4 2342 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|1,0,2]=4 2343 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|1,0,2]=4 2344 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 2345 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 2346 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,1]=4 2347 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2348 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2349 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,0,1]=4 2350 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,0,0,0,0,0|2,0,1]=4 2351 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,0,0,0,0,0|2,0,1]=4 2352 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|2,0,0]=3 2353 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|2,0,0]=3 2354 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|1,0,2]=4 2355 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|1,0,2]=4 2356 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,1]=4 2357 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,1]=4 2358 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,1]=3 2359 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,1]=3 2360 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,0,1]=4 2361 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,0,1]=4 2362 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|2,0,1]=4 2363 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|2,0,1]=4 2364 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,0,0,0,0,0|2,0,1]=4 2365 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,2]=4 2366 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,2]=4 2367 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,2]=4 2368 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,1]=4 2369 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 2370 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 2371 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,1]=3 2372 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,1]=4 2373 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,1]=4 2374 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,1]=4 2375 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,1]=4 2376 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|2,0,1]=4 2377 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,1]=4 2378 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|1,0,2]=4 2379 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|1,0,2]=4 2380 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|1,0,2]=4 2381 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|1,0,2]=4 2382 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,1]=4 2383 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 2384 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,1]=4 2385 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 2386 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,1]=4 2387 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,1]=3 2388 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,1]=3 2389 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|2,0,1]=4 2390 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|2,0,1]=4 2391 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 2392 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|2,0,1]=4 2393 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 2394 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|3,0,0]=4 2395 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 2396 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 2397 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 2398 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 2399 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 2400 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 2401 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,0,0,0,0,0|2,0,1]=4 2402 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,0,0,0,0,0|2,0,1]=4 2403 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|1,0,2]=4 2404 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|1,0,2]=4 2405 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,1]=4 2406 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,1]=4 2407 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,1]=3 2408 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,1]=3 2409 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|2,0,1]=4 2410 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|2,0,1]=4 2411 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|2,0,1]=4 2412 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|2,0,1]=4 2413 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,0,0,0,0,0|2,0,1]=4 2414 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|2,0,0]=3 2415 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|1,0,2]=4 2416 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,1]=4 2417 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,1]=3 2418 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,1]=3 2419 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,1]=3 2420 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|2,0,1]=4 2421 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|2,0,1]=4 2422 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|2,0,1]=4 2423 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,0,0,0,0,0|2,0,1]=4 2424 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|2,0,0]=3 2425 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,1]=4 2426 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|1,0,2]=4 2427 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|1,0,2]=4 2428 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,1]=4 2429 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,1]=4 2430 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 2431 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,1]=4 2432 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 2433 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,1]=4 2434 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,1]=4 2435 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,1]=4 2436 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,1]=3 2437 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,1]=3 2438 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,1]=4 2439 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 2440 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|2,0,1]=4 2441 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 2442 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|2,0,1]=4 2443 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|2,0,1]=4 2444 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,0,0,0,0,0|2,0,1]=4 2445 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,0,0,0,0,0|2,0,1]=4 2446 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|2,0,0]=3 2447 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|2,0,0]=3 2448 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|1,0,2]=4 2449 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,1]=4 2450 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,1]=4 2451 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,1]=3 2452 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,1]=3 2453 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|2,0,1]=4 2454 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|2,0,1]=4 2455 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,0,0,0,0,0|2,0,1]=4 2456 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,0,0,0,0,0|2,0,1]=4 2457 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|2,0,0]=3 2458 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|2,0,0]=3 2459 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,1]=4 2460 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,1]=4 2461 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,1]=3 2462 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,1]=3 2463 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,1]=3 2464 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,1]=3 2465 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,1]=4 2466 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,1]=4 2467 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,1]=4 2468 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,1]=4 2469 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,1]=4 2470 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,1]=4 2471 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,1]=4 2472 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,1]=4 2473 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,0,1]=4 2474 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|2,0,1]=4 2475 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|2,0,0]=3 2476 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,1]=4 2477 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,1]=4 2478 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,1]=4 2479 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,1]=4 2480 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 2481 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 2482 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,1]=4 2483 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,1]=4 2484 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,1]=4 2485 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2486 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2487 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|2,0,1]=4 2488 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|2,0,1]=4 2489 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 2490 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|2,0,1]=4 2491 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 2492 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 2493 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 2494 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|2,0,1]=4 2495 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|2,0,1]=4 2496 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,1]=4 2497 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,1]=4 2498 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|3,0,0]=4 2499 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|3,0,0]=4 2500 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,1]=4 2501 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2502 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,1]=4 2503 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2504 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|3,0,0]=4 2505 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|3,0,0]=4 2506 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 2507 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,1]=4 2508 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,1]=4 2509 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,1]=4 2510 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,0,0,0,0,0|2,0,1]=4 2511 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,0,0,0,0,0|2,0,1]=4 2512 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|2,0,0]=3 2513 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|2,0,0]=3 2514 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,1]=4 2515 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,1]=4 2516 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,1]=3 2517 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,1]=3 2518 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|2,0,1]=4 2519 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|2,0,1]=4 2520 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|3,0,0]=4 2521 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,0,1]=4 2522 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|3,0,0]=4 2523 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|3,0,0]=4 2524 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2525 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|2,0,1]=4 2526 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|2,0,1]=4 2527 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2528 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2529 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2530 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 2531 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 2532 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 2533 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 2534 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 2535 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 2536 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,1]=4 2537 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 2538 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 2539 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,1]=4 2540 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,1]=3 2541 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,1]=4 2542 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|3,0,0]=4 2543 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|3,0,0]=4 2544 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2545 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2546 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2547 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2548 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,1]=4 2549 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,1]=4 2550 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,0,1]=4 2551 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,0,1]=4 2552 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,0,0,0,0,0|2,0,1]=4 2553 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,0,0,0,0,0|2,0,1]=4 2554 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|2,0,0]=3 2555 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|2,0,0]=3 2556 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,1]=4 2557 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,1]=4 2558 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,1]=3 2559 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,1]=3 2560 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,0,0,0,0,0|2,0,1]=4 2561 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,1]=4 2562 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,1]=4 2563 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,0,0,0,0,0|2,0,1]=4 2564 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2565 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,1]=3 2566 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2567 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,1]=4 2568 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2569 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2570 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 2571 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 2572 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 2573 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 2574 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|2,0,1]=4 2575 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 2576 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 2577 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2578 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2579 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 2580 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 2581 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 2582 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 2583 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|3,0,0]=4 2584 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 2585 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 2586 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 2587 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 2588 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|3,0,0]=4 2589 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 2590 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 2591 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|3,0,0]=4 2592 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|3,0,0]=4 2593 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 2594 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2595 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|3,0,0]=4 2596 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|3,0,0]=4 2597 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 2598 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 2599 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,0,0,0,0,0|2,0,1]=4 2600 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2601 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,1]=3 2602 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 2603 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|2,0,1]=4 2604 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|2,0,1]=4 2605 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,1]=4 2606 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,1]=4 2607 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|3,0,0]=4 2608 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,0,0,0,0,0|2,0,1]=4 2609 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2610 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2611 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|3,0,0]=4 2612 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,0,0,0,0,0|2,0,1]=4 2613 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,0,0,0,0,0|2,0,1]=4 2614 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|3,0,0]=4 2615 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|3,0,0]=4 2616 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,0,0,0,0,0|2,0,1]=4 2617 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,0,0,0,0,0|2,0,1]=4 2618 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2619 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2620 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,1]=3 2621 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2622 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2623 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|3,0,0]=4 2624 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,1]=4 2625 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|2,0,1]=4 2626 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 2627 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 2628 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 2629 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 2630 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 2631 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,1]=3 2632 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|3,0,0]=4 2633 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|3,0,0]=4 2634 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2635 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2636 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 2637 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,1]=4 2638 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,1]=4 2639 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2640 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2641 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,1]=4 2642 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,1]=4 2643 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|3,0,0]=4 2644 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|3,0,0]=4 2645 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,1]=4 2646 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,1]=4 2647 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|3,0,0]=4 2648 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,1]=4 2649 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2650 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2651 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 2652 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|3,0,0]=4 2653 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|3,0,0]=4 2654 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,1]=4 2655 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 2656 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,1]=4 2657 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|3,0,0]=4 2658 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|3,0,0]=4 2659 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,1]=4 2660 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,1]=4 2661 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 2662 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,1]=3 2663 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,1]=4 2664 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,1]=4 2665 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|3,0,0]=4 2666 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|2,0,1]=4 2667 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|3,0,0]=4 2668 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|2,0,1]=4 2669 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|2,0,1]=4 2670 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|3,0,0]=4 2671 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,0,1]=4 2672 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,0,1]=4 2673 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,1]=4 2674 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|3,0,0]=4 2675 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 2676 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 2677 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|3,0,0]=4 2678 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|3,0,0]=4 2679 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|2,0,1]=4 2680 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|2,0,1]=4 2681 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 2682 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 2683 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|3,0,0]=4 2684 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|3,0,0]=4 2685 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|2,0,1]=4 2686 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|2,0,1]=4 2687 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [1,0,0,0,0,0|3,0,0]=4 2688 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,0,0,0,0,0|3,0,0]=4 2689 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 2690 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 2691 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [1,0,0,0,0,0|3,0,0]=4 2692 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [1,0,0,0,0,0|3,0,0]=4 2693 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 2694 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 2695 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,0,0,0,0,0|3,0,0]=4 2696 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,0,0,0,0,0|3,0,0]=4 2697 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,0,0,0,0,0|3,0,0]=4 2698 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [1,0,0,0,0,0|3,0,0]=4 2699 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [1,0,0,0,0,0|3,0,0]=4 2700 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [1,0,0,0,0,0|3,0,0]=4 2701 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 2702 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 2703 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 2704 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 2705 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [1,0,0,0,0,0|3,0,0]=4 2706 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [1,0,0,0,0,0|3,0,0]=4 2707 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 2708 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 2709 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 2710 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 2711 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 2712 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 2713 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 2714 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 2715 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 2716 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 2717 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 2718 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 2719 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [1,0,0,0,0,0|2,0,1]=4 2720 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [1,0,0,0,0,0|2,0,1]=4 2721 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [1,0,0,0,0,0|2,0,1]=4 2722 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [1,0,0,0,0,0|2,0,1]=4 2723 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [1,0,0,0,0,0|2,0,1]=4 2724 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [1,0,0,0,0,0|2,0,1]=4 2725 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [1,0,0,0,0,0|2,0,1]=4 2726 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [1,0,0,0,0,0|2,0,1]=4 2727 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [1,0,0,0,0,0|2,0,1]=4 2728 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [1,0,0,0,0,0|2,0,1]=4 2729 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [1,0,0,0,0,0|2,0,1]=4 2730 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [1,0,0,0,0,0|2,0,1]=4 2731 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [1,0,0,0,0,0|2,0,1]=4 2732 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [1,0,0,0,0,0|2,0,1]=4 2733 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|3,0,0]=4 2734 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|3,0,0]=4 2735 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|3,0,0]=4 2736 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 2737 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|3,0,0]=4 2738 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 2739 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|3,0,0]=4 2740 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,0]=3 2741 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,0,0,0,0,0|3,0,0]=4 2742 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,0]=3 2743 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [1,0,0,0,0,0|3,0,0]=4 2744 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,0,0,0,0,0|3,0,0]=4 2745 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,0,0,0,0,0|2,0,0]=3 2746 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 2747 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [1,0,0,0,0,0|3,0,0]=4 2748 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,0]=3 2749 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|3,0,0]=4 2750 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|3,0,0]=4 2751 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,0]=3 2752 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,0]=3 2753 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|3,0,0]=4 2754 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|3,0,0]=4 2755 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|3,0,0]=4 2756 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,0]=3 2757 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,0]=3 2758 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,0]=3 2759 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|3,0,0]=4 2760 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|3,0,0]=4 2761 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|3,0,0]=4 2762 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|3,0,0]=4 2763 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 2764 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,0]=3 2765 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,0]=3 2766 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 2767 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|3,0,0]=4 2768 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|3,0,0]=4 2769 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|3,0,0]=4 2770 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|3,0,0]=4 2771 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|3,0,0]=4 2772 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|3,0,0]=4 2773 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|3,0,0]=4 2774 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|3,0,0]=4 2775 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 2776 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,0]=3 2777 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,0]=3 2778 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,0,0,0,0,0|2,0,0]=3 2779 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,0,0,0,0,0|2,0,0]=3 2780 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,0,0,0,0,0|2,0,0]=3 2781 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|2,0,0]=3 2782 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,0,0,0,0,0|2,0,0]=3 2783 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 2784 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,0,0,0,0,0|2,0,0]=3 2785 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 2786 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,0,0,0,0,0|2,0,0]=3 2787 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,0,0,0,0,0|2,0,0]=3 2788 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,0,0,0,0,0|2,0,0]=3 2789 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,0,0,0,0,0|2,0,0]=3 2790 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,0,0,0,0,0|2,0,0]=3 2791 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 2792 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,0,0,0,0,0|2,0,0]=3 2793 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,0,0,0,0,0|2,0,0]=3 2794 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,0]=3 2795 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,0,0,0,0,0|2,0,0]=3 2796 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 2797 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 2798 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,0]=3 2799 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,0]=3 2800 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,0]=3 2801 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,0,0,0,0,0|2,0,0]=3 2802 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,0,0,0,0,0|2,0,0]=3 2803 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,0,0,0,0,0|2,0,0]=3 2804 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,0,0,0,0,0|2,0,0]=3 2805 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,0,0,0,0,0|2,0,0]=3 2806 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|2,0,0]=3 2807 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,0,0,0,0,0|2,0,0]=3 2808 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,0]=3 2809 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,0,0,0,0,0|2,0,0]=3 2810 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,0,0,0,0,0|2,0,0]=3 2811 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,0,0,0,0,0|2,0,0]=3 2812 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,0,0,0,0,0|2,0,0]=3 2813 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,0,0,0,0,0|2,0,0]=3 2814 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,0,0,0,0,0|2,0,0]=3 2815 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,0,0,0,0,0|2,0,0]=3 2816 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,0,0,0,0,0|2,0,0]=3 2817 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,0,0,0,0,0|2,0,0]=3 2818 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 2819 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 2820 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [1,0,0,0,0,0|3,0,0]=4 2821 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,0]=3 2822 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,0]=3 2823 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,0]=3 2824 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,0]=3 2825 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,0]=3 2826 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,0]=3 2827 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [1,0,0,0,0,0|3,0,0]=4 2828 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [1,0,0,0,0,0|3,0,0]=4 2829 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [1,0,0,0,0,0|3,0,0]=4 2830 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [1,0,0,0,0,0|3,0,0]=4 2831 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [1,0,0,0,0,0|3,0,0]=4 2832 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [1,0,0,0,0,0|3,0,0]=4 2833 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [1,0,0,0,0,0|3,0,0]=4 2834 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [1,0,0,0,0,0|3,0,0]=4 2835 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [1,0,0,0,0,0|3,0,0]=4 2836 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,0,0,0,0,0|2,0,0]=3 2837 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,0,0,0,0,0|2,0,0]=3 2838 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [1,0,0,0,0,0|3,0,0]=4 2839 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [1,0,0,0,0,0|3,0,0]=4 2840 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,0,0,0,0,0|2,0,0]=3 2841 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,0,0,0,0,0|2,0,0]=3 2842 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|2,0,0]=3 2843 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|2,0,0]=3 2844 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 2845 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 2846 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|2,0,0]=3 2847 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|2,0,0]=3 2848 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 2849 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [1,0,0,0,0,0|3,0,0]=4 2850 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 2851 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [1,0,0,0,0,0|3,0,0]=4 2852 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [1,0,0,0,0,0|3,0,0]=4 2853 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [1,0,0,0,0,0|3,0,0]=4 2854 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [1,0,0,0,0,0|3,0,0]=4 2855 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [1,0,0,0,0,0|3,0,0]=4 2856 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [1,0,0,0,0,0|3,0,0]=4 2857 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,0,0,0,0,0|2,0,0]=3 2858 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,0,0,0,0,0|2,0,0]=3 2859 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [1,0,0,0,0,0|3,0,0]=4 2860 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 2861 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 2862 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 2863 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 2864 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 2865 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 2866 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 2867 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 2868 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,1]=3 2869 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011220946_100011215473 [0,1,0,0,0,0|1,0,2]=4 2870 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011809334_100000184674 [0,1,0,0,0,0|1,0,2]=4 2871 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,1,0,0,0,0|0,0,3]=4 2872 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,1,0,0,0,0|0,0,3]=4 2873 B12R0.1 C#CCC(C)OCCCCCC=C 34a_100000685586_100000700193 [0,1,0,0,0,0|2,0,1]=4 2874 B12R0.1 C#CCC(C)OCCCCCC=C 7a_100000685586_100000700193 [0,1,0,0,0,0|2,0,1]=4 2875 B12R0.1 C#CCC(C)OCCCCCCO 34a_100000685586_100000766143 [0,1,0,0,0,0|1,0,2]=4 2876 B12R0.1 C#CCC(C)OCCCCCCO 7a_100000685586_100000766143 [0,1,0,0,0,0|1,0,2]=4 2877 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000034748_100000210623 [0,1,0,0,0,0|1,0,2]=4 2878 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000210193_100012276617 [0,1,0,0,0,0|1,0,2]=4 2879 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,1,0,0,0,0|0,0,3]=4 2880 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,1,0,0,0,0|0,0,3]=4 2881 B12R0.1 C#CCCCCCCN(C)CC=C 2230a_100000225617_100012276617 [0,1,0,0,0,0|2,0,1]=4 2882 B12R0.1 C#CCCCCCCN(C)CC=C 269982a_100000225617_100012276617 [0,1,0,0,0,0|2,0,1]=4 2883 B12R0.1 C#CCCCCCCN(C)CCO 2230a_100000210263_100012276617 [0,1,0,0,0,0|1,0,2]=4 2884 B12R0.1 C#CCCCCCCN(C)CCO 269982a_100000210263_100012276617 [0,1,0,0,0,0|1,0,2]=4 2885 B12R0.1 C#CCCCCCN[C@H](C)CCO 2230a_100000706166_100012094781 [0,1,0,0,0,0|1,0,2]=4 2886 B12R0.1 C#CCCCCCN[C@H](C)CCO 34a_100000706166_100012094781 [0,1,0,0,0,0|1,0,2]=4 2887 B12R0.1 C#CCCCCCOC(C)CCO 34a_100000766912_100009893172 [0,1,0,0,0,0|1,0,2]=4 2888 B12R0.1 C#CCCCCCOC(C)CCO 7a_100000766912_100009893172 [0,1,0,0,0,0|1,0,2]=4 2889 B12R0.1 C#CCCCCCO[C@H](C)CC=C 34a_100000731007_100012094781 [0,1,0,0,0,0|2,0,1]=4 2890 B12R0.1 C#CCCCCCO[C@H](C)CC=C 7a_100000731007_100012094781 [0,1,0,0,0,0|2,0,1]=4 2891 B12R0.1 C#CCCCCCSC(C)CCO 62a_100009893172_100012094781 [0,1,0,0,0,0|1,0,2]=4 2892 B12R0.1 C#CCCCCCSC(C)CCO 62a_100012094781_100009893172 [0,1,0,0,0,0|1,0,2]=4 2893 B12R0.1 C#CCCCCOCC(C)CC=C 34a_100009832082_100010269958 [0,1,0,0,0,0|2,0,1]=4 2894 B12R0.1 C#CCCCCOCC(C)CC=C 7a_100009832082_100010269958 [0,1,0,0,0,0|2,0,1]=4 2895 B12R0.1 C#CCCCCOC[C@H](N)CC=C 34a_100020615467_100010269958 [0,1,0,0,0,0|2,0,1]=4 2896 B12R0.1 C#CCN(C)CCCCCCC=C 2230a_100000225692_100011215473 [0,1,0,0,0,0|2,0,1]=4 2897 B12R0.1 C#CCN(C)CCCCCCC=C 34a_100000225692_100011215473 [0,1,0,0,0,0|2,0,1]=4 2898 B12R0.1 C#CCN(C)CCCCCCCO 2230a_100000225692_100000760002 [0,1,0,0,0,0|1,0,2]=4 2899 B12R0.1 C#CCN(C)CCCCCCCO 34a_100000225692_100000760002 [0,1,0,0,0,0|1,0,2]=4 2900 B12R0.1 C/C=C/C(C)OCCCCCCO 34a_200102604097_100000766143 [0,1,0,0,0,0|1,0,2]=4 2901 B12R0.1 C=CCC(=O)CCCCCCC#N 1458a_100000210193_100009813337 [0,1,0,0,0,0|1,0,2]=4 2902 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,1]=3 2903 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,1]=3 2904 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|0,0,1]=2 2905 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|0,0,1]=2 2906 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,1,0,0,0,0|2,0,1]=4 2907 B12R0.1 C=CCC(=O)COCCOCCO 1458a_106645077154_100000210623 [0,1,0,0,0,0|2,0,1]=4 2908 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2909 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2910 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2911 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2912 B12R0.1 C=CCC(=O)NCCCCCCO 240690a_100000686447_100000210193 [0,1,0,0,0,0|1,0,1]=3 2913 B12R0.1 C=CCC(=O)NCCCCCCO 527a_100000686447_100000210193 [0,1,0,0,0,0|1,0,1]=3 2914 B12R0.1 C=CCC(C)COCCCCC#N 7a_100009832082_100000211819 [0,1,0,0,0,0|2,0,1]=4 2915 B12R0.1 C=CCC(C)COCCCCC=O 7a_100009832082_100000139335 [0,1,0,0,0,0|1,0,2]=4 2916 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,1,0,0,0,0|2,0,0]=3 2917 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,1,0,0,0,0|2,0,0]=3 2918 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,1,0,0,0,0|2,0,0]=3 2919 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,1,0,0,0,0|2,0,0]=3 2920 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,1,0,0,0,0|1,0,0]=2 2921 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,1,0,0,0,0|1,0,0]=2 2922 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,1,0,0,0,0|3,0,0]=4 2924 B12R0.1 C=CCC(C)COCCCOCC 34a_100009832082_100012232248 [0,1,0,0,0,0|3,0,0]=4 2925 B12R0.1 C=CCC(C)COCCCOCC 7a_100009832082_100012232248 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.1 C=CCC(C)COCCOCCC 34a_100009832082_100011215938 [0,1,0,0,0,0|3,0,0]=4 2927 B12R0.1 C=CCC(C)COCCOCCC 7a_100009832082_100011215938 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.1 C=CCC(C)COCCOCCO 34a_100009832082_100000692535 [0,1,0,0,0,0|2,0,0]=3 2929 B12R0.1 C=CCC(C)COCCOCCO 7a_100009832082_100011215305 [0,1,0,0,0,0|2,0,0]=3 2930 B12R0.1 C=CCC(C)COCOCCCC 34a_100009832082_100011995733 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100011809334_100011214920 [0,1,0,0,0,0|1,0,2]=4 2932 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100051588842_100011215473 [0,1,0,0,0,0|1,0,2]=4 2933 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100000210193_100011215473 [0,1,0,0,0,0|1,0,2]=4 2934 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100011809334_100000210623 [0,1,0,0,0,0|1,0,2]=4 2935 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,1]=3 2936 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,1]=3 2937 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,1,0,0,0,0|1,0,1]=3 2938 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|0,0,1]=2 2939 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|0,0,1]=2 2940 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,1,0,0,0,0|2,0,1]=4 2941 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,1,0,0,0,0|2,0,1]=4 2942 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 2943 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 2944 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 2945 B12R0.1 C=CCCCCCCN(C)CC#N 2230a_100000748184_100011215473 [0,1,0,0,0,0|2,0,1]=4 2946 B12R0.1 C=CCCCCCCN(C)CC=C 2230a_100000225617_100011215473 [0,1,0,0,0,0|2,0,1]=4 2947 B12R0.1 C=CCCCCCCN(C)CC=C 269982a_100000225617_100011215473 [0,1,0,0,0,0|2,0,1]=4 2948 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,1,0,0,0,0|2,0,0]=3 2949 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,1,0,0,0,0|2,0,0]=3 2950 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,1,0,0,0,0|1,0,0]=2 2951 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,1,0,0,0,0|1,0,0]=2 2952 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,1,0,0,0,0|2,0,0]=3 2953 B12R0.1 C=CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000700193 [0,1,0,0,0,0|2,0,1]=4 2954 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,1,0,0,0,0|1,0,0]=2 2955 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,1,0,0,0,0|1,0,0]=2 2956 B12R0.1 C=CCCCCCN[C@H](C)COC 2230a_100000764878_100000700193 [0,1,0,0,0,0|3,0,0]=4 2957 B12R0.1 C=CCCCCCOC(C)CC#N 7a_100011216702_100009813641 [0,1,0,0,0,0|2,0,1]=4 2958 B12R0.1 C=CCCCCCOC(C)CCBr 34a_100012276601_100000700193 [0,1,0,0,0,0|2,0,0]=3 2959 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,1,0,0,0,0|2,0,0]=3 2960 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,1,0,0,0,0|2,0,0]=3 2961 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,1,0,0,0,0|2,0,0]=3 2962 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,1,0,0,0,0|2,0,0]=3 2963 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,1,0,0,0,0|1,0,0]=2 2964 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,1,0,0,0,0|1,0,0]=2 2965 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.1 C=CCCCCCO[C@H](C)CC=C 34a_100000731007_100000700193 [0,1,0,0,0,0|2,0,1]=4 2968 B12R0.1 C=CCCCCCO[C@H](C)CC=C 7a_100000731007_100000700193 [0,1,0,0,0,0|2,0,1]=4 2969 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.1 C=CCCCCCSC(C)CC#N 62a_100000700193_100009813641 [0,1,0,0,0,0|2,0,1]=4 2971 B12R0.1 C=CCCCCCSC(C)CC#N 62a_100009813641_100000700193 [0,1,0,0,0,0|2,0,1]=4 2972 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,1,0,0,0,0|2,0,0]=3 2973 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,1,0,0,0,0|2,0,0]=3 2974 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,1,0,0,0,0|1,0,0]=2 2975 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,1,0,0,0,0|1,0,0]=2 2976 B12R0.1 C=CCCCCCSC(C)COC 62a_100000700193_100000765312 [0,1,0,0,0,0|3,0,0]=4 2977 B12R0.1 C=CCCCCCSC(C)COC 62a_100000765312_100000700193 [0,1,0,0,0,0|3,0,0]=4 2978 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,1,0,0,0,0|2,0,1]=4 2979 B12R0.1 C=CCCCCNCC(=O)NCO 2230a_100000703577_100000185155 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.1 C=CCCCCNCC(=O)NCO 34a_100000703577_100000185155 [0,1,0,0,0,0|2,0,1]=4 2981 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,1,0,0,0,0|2,0,0]=3 2982 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,1,0,0,0,0|2,0,0]=3 2983 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,1,0,0,0,0|2,0,0]=3 2984 B12R0.1 C=CCCCCNCC(O)COC 2230a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.1 C=CCCCCNCC(O)COC 34a_100000703577_100011215053 [0,1,0,0,0,0|3,0,0]=4 2986 B12R0.1 C=CCCCCNCC(O)COC 34a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 2987 B12R0.1 C=CCCCCNC[C@@H](O)CC#N 2230a_100000703577_100000001066 [0,1,0,0,0,0|2,0,1]=4 2988 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,1,0,0,0,0|2,0,1]=4 2989 B12R0.1 C=CCCCCOCC(=O)NCO 34a_100000766645_100000185155 [0,1,0,0,0,0|2,0,1]=4 2990 B12R0.1 C=CCCCCOCC(=O)NCO 7a_100000766645_100000185155 [0,1,0,0,0,0|2,0,1]=4 2991 B12R0.1 C=CCCCCOCC(C)CC=C 34a_100009832082_100011215482 [0,1,0,0,0,0|2,0,1]=4 2992 B12R0.1 C=CCCCCOCC(C)CC=C 7a_100009832082_100011215482 [0,1,0,0,0,0|2,0,1]=4 2993 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,1,0,0,0,0|2,0,0]=3 2994 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,1,0,0,0,0|2,0,0]=3 2995 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,1,0,0,0,0|2,0,0]=3 2996 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,1,0,0,0,0|2,0,0]=3 2997 B12R0.1 C=CCCCCOCC(C)CCN 34a_106354213184_100011215482 [0,1,0,0,0,0|2,0,0]=3 2998 B12R0.1 C=CCCCCOCC(N)COC 34a_100000724102_100011215482 [0,1,0,0,0,0|3,0,0]=4 2999 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 3000 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 3001 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,1,0,0,0,0|2,0,0]=3 3002 B12R0.1 C=CCCCCOC[C@@H](O)CC#N 7a_100000766645_100000001066 [0,1,0,0,0,0|2,0,1]=4 3003 B12R0.1 C=CCCCCOC[C@H](N)CC=C 34a_100020615467_100011215482 [0,1,0,0,0,0|2,0,1]=4 3004 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,1,0,0,0,0|2,0,1]=4 3005 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,1,0,0,0,0|2,0,1]=4 3006 B12R0.1 C=CCCCCSCC(=O)NCO 62a_100000185155_100011215482 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.1 C=CCCCCSCC(=O)NCO 62a_100011215482_100000185155 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,1,0,0,0,0|2,0,0]=3 3009 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,1,0,0,0,0|2,0,0]=3 3010 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215053_100011215482 [0,1,0,0,0,0|3,0,0]=4 3011 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215482_100011215053 [0,1,0,0,0,0|3,0,0]=4 3012 B12R0.1 C=CCCCCSC[C@@H](O)CC#N 62a_100000001066_100011215482 [0,1,0,0,0,0|2,0,1]=4 3013 B12R0.1 C=CCCCCSC[C@@H](O)CC#N 62a_100011215482_100000001066 [0,1,0,0,0,0|2,0,1]=4 3014 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,1,0,0,0,0|2,0,0]=3 3015 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,1,0,0,0,0|2,0,0]=3 3016 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,1,0,0,0,0|2,0,0]=3 3017 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,1,0,0,0,0|2,0,0]=3 3018 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,1,0,0,0,0|2,0,0]=3 3019 B12R0.1 C=CCN(C)CCCCCCC#N 2230a_100000225617_100009813337 [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.1 C=CCN(C)CCCCCCC#N 269982a_100000225617_100009813337 [0,1,0,0,0,0|2,0,1]=4 3021 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,1,0,0,0,0|2,0,0]=3 3022 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,1,0,0,0,0|2,0,0]=3 3023 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,1,0,0,0,0|2,0,0]=3 3024 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,1,0,0,0,0|2,0,0]=3 3025 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,1,0,0,0,0|1,0,0]=2 3026 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,1,0,0,0,0|1,0,0]=2 3027 B12R0.1 C=CCN(C)CCCCCCOC 2230a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 3028 B12R0.1 C=CCN(C)CCCCCCOC 269982a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 3029 B12R0.1 C=CCOCCOCC(C)CCC 34a_100000037705_100011216630 [0,1,0,0,0,0|3,0,0]=4 3030 B12R0.1 C=CCOCCOCC(C)CCC 7a_100000037705_100011216630 [0,1,0,0,0,0|3,0,0]=4 3031 B12R0.1 C=CC[C@@H](C)OCCCCCC#N 7a_100000731007_100009813376 [0,1,0,0,0,0|2,0,1]=4 3032 B12R0.1 C=CC[C@@H](C)OCCCCCC=O 7a_100000731007_100000139337 [0,1,0,0,0,0|1,0,2]=4 3033 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,1,0,0,0,0|2,0,0]=3 3034 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,1,0,0,0,0|2,0,0]=3 3035 B12R0.1 C=CC[C@@H](C)OCCCCCCF 34a_100000731007_100015922095 [0,1,0,0,0,0|2,0,0]=3 3036 B12R0.1 C=CC[C@@H](C)OCCCCCCF 7a_100000731007_100015922095 [0,1,0,0,0,0|2,0,0]=3 3037 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,1,0,0,0,0|1,0,0]=2 3038 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,1,0,0,0,0|1,0,0]=2 3039 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3040 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3041 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,1,0,0,0,0|2,0,0]=3 3042 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,1,0,0,0,0|2,0,0]=3 3043 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,1,0,0,0,0|1,0,0]=2 3044 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,1,0,0,0,0|3,0,0]=4 3045 B12R0.1 C=CC[C@@H](N)COCCCOCC 34a_100020615467_100012232248 [0,1,0,0,0,0|3,0,0]=4 3046 B12R0.1 C=CC[C@@H](N)COCCOCCC 34a_100020615467_100011215938 [0,1,0,0,0,0|3,0,0]=4 3047 B12R0.1 C=CC[C@@H](N)COCCOCCO 34a_100020615467_100000692535 [0,1,0,0,0,0|2,0,0]=3 3048 B12R0.1 C=CC[C@@H](N)COCOCCCC 34a_100020615467_100011995733 [0,1,0,0,0,0|3,0,0]=4 3049 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,1,0,0,0,0|2,0,1]=4 3050 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,1,0,0,0,0|2,0,1]=4 3051 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,1,0,0,0,0|2,0,1]=4 3052 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,1,0,0,0,0|2,0,1]=4 3053 B12R0.1 C=COCCCCOC(C)CCC 34a_100000031558_100000766640 [0,1,0,0,0,0|3,0,0]=4 3054 B12R0.1 C=COCCCCOC(C)CCC 7a_100000031558_100000766640 [0,1,0,0,0,0|3,0,0]=4 3055 B12R0.1 C=COCCCCOC(C)CCO 34a_100000031558_100009893172 [0,1,0,0,0,0|2,0,0]=3 3056 B12R0.1 C=COCCCCOC(C)CCO 7a_100000031558_100009893172 [0,1,0,0,0,0|2,0,0]=3 3057 B12R0.1 C=COCCCNCC(C)CCC 2230a_100000210767_100011216630 [0,1,0,0,0,0|3,0,0]=4 3058 B12R0.1 C=COCCCNCC(C)CCC 270004a_100000210767_100000243154 [0,1,0,0,0,0|3,0,0]=4 3059 B12R0.1 C=COCCCNCC(C)CCC 34a_100000210767_100011216630 [0,1,0,0,0,0|3,0,0]=4 3060 B12R0.1 C=COCCOCCC(C)CCC 34a_100011217855_100000039644 [0,1,0,0,0,0|3,0,0]=4 3061 B12R0.1 C=COCCOCCC(C)CCC 7a_100011217855_100000039644 [0,1,0,0,0,0|3,0,0]=4 3062 B12R0.1 C=COCCOCC[C@@H](N)CCC 34a_100015193777_100000039644 [0,1,0,0,0,0|3,0,0]=4 3063 B12R0.1 CC(CC#N)NCCCCCCO 2230a_100000686447_100009813641 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.1 CC(CC#N)SCCCCCCO 62a_100000766143_100009813641 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.1 CC(CC#N)SCCCCCCO 62a_100009813641_100000766143 [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.1 CC(CCBr)OCCCCCCO 34a_100012276601_100000766143 [0,1,0,0,0,0|2,0,1]=4 3067 B12R0.1 CC(CCN)COCCCCCO 34a_106354213184_100000746330 [0,1,0,0,0,0|2,0,1]=4 3068 B12R0.1 CC(CCO)NCCCCCCO 2230a_100000686447_100009893172 [0,1,0,0,0,0|2,0,1]=4 3069 B12R0.1 CC(CCO)NCCCCCCO 34a_100000686447_100009893172 [0,1,0,0,0,0|2,0,1]=4 3070 B12R0.1 CC(CCO)OCCCCCCBr 34a_100011215345_100009893172 [0,1,0,0,0,0|2,0,1]=4 3071 B12R0.1 CC(CCO)OCCCCCCBr 7a_100011215345_100009893172 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.1 CC(CCO)OCCCCCCCl 34a_100000766143_100009893172 [0,1,0,0,0,0|2,0,1]=4 3073 B12R0.1 CC(CCO)OCCCCCCCl 7a_100000766143_100009893172 [0,1,0,0,0,0|2,0,1]=4 3074 B12R0.1 CC(CCO)OCCCCCCF 34a_100000732779_100009893172 [0,1,0,0,0,0|2,0,1]=4 3075 B12R0.1 CC(CCO)OCCCCCCF 7a_100000732779_100009893172 [0,1,0,0,0,0|2,0,1]=4 3076 B12R0.1 CC(CCO)OCCCCCCN 34a_100000686447_100009893172 [0,1,0,0,0,0|2,0,1]=4 3077 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009813376_100009893172 [0,1,0,0,0,0|2,0,1]=4 3078 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009893172_100009813376 [0,1,0,0,0,0|2,0,1]=4 3079 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,1,0,0,0,0|2,0,0]=3 3080 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,1,0,0,0,0|2,0,0]=3 3081 B12R0.1 CC(CCO)SCCCCCCF 62a_100009893172_100015922095 [0,1,0,0,0,0|2,0,1]=4 3082 B12R0.1 CC(CCO)SCCCCCCF 62a_100015922095_100009893172 [0,1,0,0,0,0|2,0,1]=4 3083 B12R0.1 CC(CCO)SCCCCCCO 62a_100000766143_100009893172 [0,1,0,0,0,0|2,0,1]=4 3084 B12R0.1 CC(CCO)SCCCCCCO 62a_100009893172_100000766143 [0,1,0,0,0,0|2,0,1]=4 3085 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,1,0,0,0,0|0,0,3]=4 3086 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|0,0,3]=4 3087 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|0,0,3]=4 3088 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,1,0,0,0,0|1,0,2]=4 3089 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,1,0,0,0,0|1,0,2]=4 3090 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,1,0,0,0,0|3,0,0]=4 3091 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,1,0,0,0,0|1,0,2]=4 3092 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,1,0,0,0,0|1,0,2]=4 3093 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 3094 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,1,0,0,0,0|1,0,2]=4 3095 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 3096 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,1,0,0,0,0|3,0,0]=4 3097 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 3098 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 3099 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,1,0,0,0,0|3,0,0]=4 3100 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,1,0,0,0,0|1,0,2]=4 3102 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,1,0,0,0,0|1,0,2]=4 3103 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,1,0,0,0,0|3,0,0]=4 3104 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 3105 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,1,0,0,0,0|1,0,2]=4 3106 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,1,0,0,0,0|1,0,2]=4 3107 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 3108 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,1,0,0,0,0|3,0,0]=4 3109 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 3110 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 3111 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,1,0,0,0,0|3,0,0]=4 3113 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,1,0,0,0,0|1,0,2]=4 3114 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,1,0,0,0,0|1,0,2]=4 3115 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|0,0,3]=4 3116 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|0,0,3]=4 3117 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,1,0,0,0,0|2,0,1]=4 3118 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,1,0,0,0,0|2,0,1]=4 3119 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,1,0,0,0,0|2,0,1]=4 3120 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,1,0,0,0,0|2,0,1]=4 3121 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,1,0,0,0,0|2,0,1]=4 3122 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,1,0,0,0,0|3,0,0]=4 3123 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,1,0,0,0,0|3,0,0]=4 3124 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,1,0,0,0,0|1,0,2]=4 3125 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,1,0,0,0,0|1,0,2]=4 3126 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,1,0,0,0,0|1,0,2]=4 3127 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,1,0,0,0,0|1,0,2]=4 3128 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,1,0,0,0,0|1,0,2]=4 3129 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,1,0,0,0,0|1,0,2]=4 3130 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,1,0,0,0,0|1,0,2]=4 3131 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 3132 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 3133 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,1,0,0,0,0|1,0,2]=4 3134 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,1,0,0,0,0|1,0,2]=4 3135 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 3136 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 3137 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,1,0,0,0,0|1,0,2]=4 3138 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,1,0,0,0,0|1,0,2]=4 3139 B12R0.1 CN(CC#N)CCCCCCCO 2230a_100000748184_100000760002 [0,1,0,0,0,0|2,0,1]=4 3140 B12R0.1 CN(CCO)CCCCCCC#N 2230a_100000210263_100009813337 [0,1,0,0,0,0|2,0,1]=4 3141 B12R0.1 CN(CCO)CCCCCCC#N 269982a_100000210263_100009813337 [0,1,0,0,0,0|2,0,1]=4 3142 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,1,0,0,0,0|2,0,1]=4 3143 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,1,0,0,0,0|2,0,1]=4 3144 B12R0.1 CNCCCCCOC(C)CCO 34a_100000722520_100009893172 [0,1,0,0,0,0|2,0,1]=4 3145 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,0,0,0,0|1,0,2]=4 3146 B12R0.1 COCC(C)NCCCCCCO 2230a_100000686447_100000765312 [0,1,0,0,0,0|2,0,1]=4 3147 B12R0.1 COCC(C)NCCCCCCO 270004a_100000686447_100000749346 [0,1,0,0,0,0|2,0,1]=4 3148 B12R0.1 COCC(C)NCCCCCCO 34a_100000686447_100000765312 [0,1,0,0,0,0|2,0,1]=4 3149 B12R0.1 COCC(C)SCCCCCCO 62a_100000765312_100000766143 [0,1,0,0,0,0|2,0,1]=4 3150 B12R0.1 COCC(C)SCCCCCCO 62a_100000766143_100000765312 [0,1,0,0,0,0|2,0,1]=4 3151 B12R0.1 COCC(N)COCCCCCO 34a_100000724102_100000746330 [0,1,0,0,0,0|2,0,1]=4 3152 B12R0.1 COCC(O)CNCCCCCO 2230a_100000756049_100000746330 [0,1,0,0,0,0|2,0,1]=4 3153 B12R0.1 COCC(O)CNCCCCCO 34a_100000756049_100000746330 [0,1,0,0,0,0|2,0,1]=4 3154 B12R0.1 COCC(O)CNCCCCCO 34a_100000762737_100011215053 [0,1,0,0,0,0|2,0,1]=4 3155 B12R0.1 COCC(O)CSCCCCCO 62a_100000746330_100011215053 [0,1,0,0,0,0|2,0,1]=4 3156 B12R0.1 COCC(O)CSCCCCCO 62a_100011215053_100000746330 [0,1,0,0,0,0|2,0,1]=4 3157 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,0,0,0,0|1,0,2]=4 3158 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,1,0,0,0,0|2,0,1]=4 3159 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,1,0,0,0,0|2,0,1]=4 3160 B12R0.1 COCCCCCNC(C)CCO 2230a_100000747528_100009893172 [0,1,0,0,0,0|2,0,1]=4 3161 B12R0.1 COCCCCCNC(C)CCO 34a_100000747528_100009893172 [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.1 COC[C@@H](C)NCCCCCCO 2230a_100000764878_100000766143 [0,1,0,0,0,0|2,0,1]=4 3163 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,1,0,0,0,0|1,0,2]=4 3165 B12R0.1 CSCC(C)NCCCCCCO 270004a_100000686447_100011216314 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.1 C[C@@H](CC#N)NCCCCCCO 2230a_100016994482_100000766143 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.1 C[C@H](CCO)NCCCCCC#N 2230a_100000706166_100009813376 [0,1,0,0,0,0|2,0,1]=4 3168 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,1,0,0,0,0|2,0,0]=3 3169 B12R0.1 C[C@H](CCO)NCCCCCCF 2230a_100000706166_100015922095 [0,1,0,0,0,0|2,0,1]=4 3170 B12R0.1 C[C@H](CCO)NCCCCCCF 34a_100000706166_100015922095 [0,1,0,0,0,0|2,0,1]=4 3171 B12R0.1 C[C@H](CCO)NCCCCCCO 2230a_100000706166_100000766143 [0,1,0,0,0,0|2,0,1]=4 3172 B12R0.1 C[C@H](CCO)NCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|2,0,1]=4 3173 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,1,0,0,0,0|1,0,2]=4 3174 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,1,0,0,0,0|1,0,2]=4 3175 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,1,0,0,0,0|1,0,2]=4 3176 B12R0.1 N#CC[C@H](O)CNCCCCCO 2230a_100000762737_100000001066 [0,1,0,0,0,0|2,0,1]=4 3177 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000001066_100000746330 [0,1,0,0,0,0|2,0,1]=4 3178 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000746330_100000001066 [0,1,0,0,0,0|2,0,1]=4 3179 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,1,0,0,0,0|1,0,2]=4 3180 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,1,0,0,0,0|1,0,2]=4 3181 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,1,0,0,0,0|1,0,2]=4 3182 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,0,0,0,0|1,0,2]=4 3183 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,0,0,0,0|1,0,2]=4 3184 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,0,0,0,0|1,0,2]=4 3185 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,1,0,0,0,0|0,0,2]=3 3186 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,1,0,0,0,0|0,0,2]=3 3187 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,1,0,0,0,0|0,0,2]=3 3188 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,1,0,0,0,0|0,0,2]=3 3189 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,1,0,0,0,0|1,0,2]=4 3190 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,1,0,0,0,0|1,0,2]=4 3191 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,1,0,0,0,0|1,0,2]=4 3192 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,1,0,0,0,0|1,0,2]=4 3193 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [0,1,0,0,0,0|1,0,1]=3 3194 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,1,0,0,0,0|1,0,2]=4 3195 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,1,0,0,0,0|0,0,2]=3 3196 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,1,0,0,0,0|0,0,2]=3 3197 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [0,1,0,0,0,0|1,0,1]=3 3198 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [0,1,0,0,0,0|1,0,1]=3 3199 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [0,1,0,0,0,0|1,0,1]=3 3200 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,1,0,0,0,0|2,0,1]=4 3201 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,1,0,0,0,0|2,0,1]=4 3202 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,1,0,0,0,0|1,0,2]=4 3203 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,1,0,0,0,0|1,0,2]=4 3204 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,1,0,0,0,0|1,0,2]=4 3205 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,1,0,0,0,0|1,0,2]=4 3206 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,1,0,0,0,0|1,0,2]=4 3207 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,1,0,0,0,0|1,0,2]=4 3208 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,1,0,0,0,0|1,0,2]=4 3209 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,1,0,0,0,0|0,0,2]=3 3210 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,1,0,0,0,0|0,0,2]=3 3211 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [0,1,0,0,0,0|1,0,1]=3 3212 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [0,1,0,0,0,0|1,0,1]=3 3213 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,1,0,0,0,0|2,0,1]=4 3214 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,1,0,0,0,0|2,0,1]=4 3215 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,1,0,0,0,0|1,0,2]=4 3216 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,1,0,0,0,0|1,0,2]=4 3217 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,1,0,0,0,0|1,0,2]=4 3218 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,1,0,0,0,0|1,0,2]=4 3219 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,1,0,0,0,0|0,0,2]=3 3220 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,1,0,0,0,0|0,0,2]=3 3221 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,1,0,0,0,0|1,0,2]=4 3222 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,1,0,0,0,0|1,0,2]=4 3223 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [0,1,0,0,0,0|1,0,1]=3 3224 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,1,0,0,0,0|1,0,2]=4 3225 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,1,0,0,0,0|1,0,2]=4 3226 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,1,0,0,0,0|1,0,2]=4 3227 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,1,0,0,0,0|1,0,2]=4 3228 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,1,0,0,0,0|1,0,2]=4 3229 B12R0.5 C#CCCCCCCOC/C=C/C 34a_100011217361_100102629194 [0,1,0,0,0,0|2,0,1]=4 3230 B12R0.5 C#CCCCCCCOC/C=C/C 34a_100016270725_100012276617 [0,1,0,0,0,0|2,0,1]=4 3231 B12R0.5 C#CCCCCCCOC/C=C/C 7a_100011217361_100102629194 [0,1,0,0,0,0|2,0,1]=4 3232 B12R0.5 C#CCCCCCCOCC=CC 34a_100011217361_100000070051 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.5 C#CCCCCCCOCC=CC 7a_100011217361_100000070051 [0,1,0,0,0,0|2,0,1]=4 3234 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [0,1,0,0,0,0|1,0,1]=3 3235 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [0,1,0,0,0,0|1,0,1]=3 3236 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [0,1,0,0,0,0|1,0,1]=3 3237 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,1,0,0,0,0|1,0,2]=4 3238 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,1,0,0,0,0|1,0,2]=4 3239 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,1,0,0,0,0|1,0,2]=4 3240 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,1,0,0,0,0|1,0,2]=4 3241 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,1,0,0,0,0|1,0,2]=4 3242 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,1,0,0,0,0|1,0,2]=4 3243 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,1,0,0,0,0|1,0,2]=4 3244 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,1,0,0,0,0|1,0,2]=4 3245 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,1,0,0,0,0|1,0,2]=4 3246 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,1,0,0,0,0|1,0,2]=4 3247 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,1,0,0,0,0|0,0,2]=3 3248 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,1,0,0,0,0|0,0,2]=3 3249 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,1,0,0,0,0|1,0,2]=4 3250 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,1,0,0,0,0|1,0,2]=4 3251 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,1,0,0,0,0|1,0,2]=4 3252 B12R0.5 C#CCCCCCCOCCON 34a_100000700252_100012276617 [0,1,0,0,0,0|1,0,2]=4 3253 B12R0.5 C#CCCCCCCSC/C=C/C 62a_100012276617_100102629194 [0,1,0,0,0,0|2,0,1]=4 3254 B12R0.5 C#CCCCCCCSC/C=C/C 62a_100102629194_100012276617 [0,1,0,0,0,0|2,0,1]=4 3255 B12R0.5 C#CCCCCCCSCC=CC 62a_100000070051_100012276617 [0,1,0,0,0,0|2,0,1]=4 3256 B12R0.5 C#CCCCCCCSCC=CC 62a_100012276617_100000070051 [0,1,0,0,0,0|2,0,1]=4 3257 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [0,1,0,0,0,0|1,0,1]=3 3258 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [0,1,0,0,0,0|1,0,1]=3 3259 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,1,0,0,0,0|1,0,2]=4 3260 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,1,0,0,0,0|1,0,2]=4 3261 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,1,0,0,0,0|1,0,2]=4 3262 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,1,0,0,0,0|1,0,2]=4 3263 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,1,0,0,0,0|0,0,2]=3 3264 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,1,0,0,0,0|0,0,2]=3 3265 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,1,0,0,0,0|1,0,2]=4 3266 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,1,0,0,0,0|1,0,2]=4 3267 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [0,1,0,0,0,0|1,0,1]=3 3268 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [0,1,0,0,0,0|1,0,1]=3 3269 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,1,0,0,0,0|1,0,2]=4 3270 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,1,0,0,0,0|0,0,2]=3 3271 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,1,0,0,0,0|0,0,2]=3 3272 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,1,0,0,0,0|1,0,2]=4 3273 B12R0.5 C#CCCCCCOCC/C=C/C 34a_100016278192_100012094781 [0,1,0,0,0,0|2,0,1]=4 3274 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,1,0,0,0,0|1,0,1]=3 3275 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,1,0,0,0,0|1,0,1]=3 3276 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,1,0,0,0,0|1,0,1]=3 3277 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,1,0,0,0,0|1,0,1]=3 3278 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,1,0,0,0,0|2,0,1]=4 3279 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,1,0,0,0,0|1,0,2]=4 3280 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,1,0,0,0,0|1,0,2]=4 3281 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,1,0,0,0,0|1,0,2]=4 3282 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,1,0,0,0,0|1,0,2]=4 3283 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,1,0,0,0,0|1,0,2]=4 3284 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,1,0,0,0,0|1,0,2]=4 3285 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,1,0,0,0,0|1,0,2]=4 3286 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,1,0,0,0,0|1,0,2]=4 3287 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,1,0,0,0,0|1,0,2]=4 3288 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,1,0,0,0,0|1,0,2]=4 3289 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,1,0,0,0,0|1,0,2]=4 3290 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,1,0,0,0,0|1,0,2]=4 3291 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,1,0,0,0,0|1,0,2]=4 3292 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,1,0,0,0,0|0,0,2]=3 3293 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,1,0,0,0,0|0,0,2]=3 3294 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,1,0,0,0,0|1,0,2]=4 3295 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,1,0,0,0,0|1,0,2]=4 3296 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,1,0,0,0,0|1,0,2]=4 3297 B12R0.5 C#CCCCCCOCCOC=C 34a_100000033082_100012094781 [0,1,0,0,0,0|2,0,1]=4 3298 B12R0.5 C#CCCCCCOCCOC=C 34a_100000766912_100000039644 [0,1,0,0,0,0|2,0,1]=4 3299 B12R0.5 C#CCCCCCOCCOC=C 7a_100000766912_100000039644 [0,1,0,0,0,0|2,0,1]=4 3300 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [0,1,0,0,0,0|1,0,1]=3 3301 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [0,1,0,0,0,0|1,0,1]=3 3302 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,1,0,0,0,0|2,0,1]=4 3303 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,1,0,0,0,0|2,0,1]=4 3304 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,1,0,0,0,0|1,0,2]=4 3305 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,1,0,0,0,0|1,0,2]=4 3306 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,1,0,0,0,0|1,0,2]=4 3307 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,1,0,0,0,0|1,0,2]=4 3308 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,1,0,0,0,0|0,0,2]=3 3309 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,1,0,0,0,0|0,0,2]=3 3310 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,1,0,0,0,0|1,0,2]=4 3311 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,1,0,0,0,0|1,0,2]=4 3312 B12R0.5 C#CCCCCCSCCOC=C 62a_100000039644_100012094781 [0,1,0,0,0,0|2,0,1]=4 3313 B12R0.5 C#CCCCCCSCCOC=C 62a_100012094781_100000039644 [0,1,0,0,0,0|2,0,1]=4 3314 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [0,1,0,0,0,0|1,0,1]=3 3315 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [0,1,0,0,0,0|1,0,1]=3 3316 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [0,1,0,0,0,0|1,0,1]=3 3317 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [0,1,0,0,0,0|1,0,1]=3 3318 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,1,0,0,0,0|2,0,1]=4 3319 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,1,0,0,0,0|1,0,2]=4 3320 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,1,0,0,0,0|1,0,2]=4 3321 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,1,0,0,0,0|1,0,2]=4 3322 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,1,0,0,0,0|1,0,2]=4 3323 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,1,0,0,0,0|1,0,2]=4 3324 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,1,0,0,0,0|0,0,2]=3 3325 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,1,0,0,0,0|0,0,2]=3 3326 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,1,0,0,0,0|0,0,2]=3 3327 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,1,0,0,0,0|0,0,2]=3 3328 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,1,0,0,0,0|1,0,2]=4 3329 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,1,0,0,0,0|1,0,2]=4 3330 B12R0.5 C#CCCCCNCCCOC=C 2230a_100000210767_100010269958 [0,1,0,0,0,0|2,0,1]=4 3331 B12R0.5 C#CCCCCNCCCOC=C 34a_100000210767_100010269958 [0,1,0,0,0,0|2,0,1]=4 3332 B12R0.5 C#CCCCCNCCOCCO 2230a_100000211614_100010269958 [0,1,0,0,0,0|1,0,2]=4 3333 B12R0.5 C#CCCCCNCCOCCO 2230a_100000706060_100011215305 [0,1,0,0,0,0|1,0,2]=4 3334 B12R0.5 C#CCCCCNCCOCCO 34a_100000211614_100010269958 [0,1,0,0,0,0|1,0,2]=4 3335 B12R0.5 C#CCCCCNCCOCCO 34a_100000706060_100000692535 [0,1,0,0,0,0|1,0,2]=4 3336 B12R0.5 C#CCCCCNCCSCCO 2230a_100011219999_100010269958 [0,1,0,0,0,0|1,0,2]=4 3337 B12R0.5 C#CCCCCOCCCC=CC 34a_100020645299_100010269958 [0,1,0,0,0,0|2,0,1]=4 3338 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,1,0,0,0,0|1,0,1]=3 3339 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,1,0,0,0,0|1,0,1]=3 3340 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,1,0,0,0,0|1,0,1]=3 3341 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,1,0,0,0,0|1,0,1]=3 3342 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,1,0,0,0,0|2,0,1]=4 3343 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,1,0,0,0,0|1,0,2]=4 3344 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,1,0,0,0,0|1,0,2]=4 3345 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,1,0,0,0,0|1,0,2]=4 3346 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,1,0,0,0,0|1,0,2]=4 3347 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,1,0,0,0,0|1,0,2]=4 3348 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,1,0,0,0,0|1,0,2]=4 3349 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,1,0,0,0,0|1,0,2]=4 3350 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,1,0,0,0,0|1,0,2]=4 3351 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,1,0,0,0,0|1,0,2]=4 3352 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,1,0,0,0,0|1,0,2]=4 3353 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,1,0,0,0,0|1,0,2]=4 3354 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,1,0,0,0,0|1,0,2]=4 3355 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,1,0,0,0,0|1,0,2]=4 3356 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,1,0,0,0,0|0,0,2]=3 3357 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,1,0,0,0,0|0,0,2]=3 3358 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,1,0,0,0,0|1,0,2]=4 3359 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,1,0,0,0,0|1,0,2]=4 3360 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,1,0,0,0,0|1,0,2]=4 3361 B12R0.5 C#CCCCCOCCOCC=C 34a_100000037705_100010269958 [0,1,0,0,0,0|2,0,1]=4 3362 B12R0.5 C#CCCCCOCCOCC=C 7a_100000037705_100010269958 [0,1,0,0,0,0|2,0,1]=4 3363 B12R0.5 C#CCCCCOCCOCCO 34a_100000766709_100000692535 [0,1,0,0,0,0|1,0,2]=4 3364 B12R0.5 C#CCCCCOCCOCCO 7a_100000766709_100011215305 [0,1,0,0,0,0|1,0,2]=4 3365 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [0,1,0,0,0,0|1,0,1]=3 3366 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [0,1,0,0,0,0|1,0,1]=3 3367 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,1,0,0,0,0|2,0,1]=4 3368 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,1,0,0,0,0|2,0,1]=4 3369 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,1,0,0,0,0|1,0,2]=4 3370 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,1,0,0,0,0|1,0,2]=4 3371 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,1,0,0,0,0|1,0,2]=4 3372 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,1,0,0,0,0|1,0,2]=4 3373 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,1,0,0,0,0|0,0,2]=3 3374 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,1,0,0,0,0|0,0,2]=3 3375 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,1,0,0,0,0|1,0,2]=4 3376 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,1,0,0,0,0|1,0,2]=4 3377 B12R0.5 C#CCCCCSCCOCCO 62a_100010269958_100011215305 [0,1,0,0,0,0|1,0,2]=4 3378 B12R0.5 C#CCCCCSCCOCCO 62a_100011215305_100010269958 [0,1,0,0,0,0|1,0,2]=4 3379 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [0,1,0,0,0,0|1,0,1]=3 3380 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,1,0,0,0,0|1,0,2]=4 3381 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,1,0,0,0,0|1,0,2]=4 3382 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,1,0,0,0,0|1,0,2]=4 3383 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,1,0,0,0,0|0,0,2]=3 3384 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,1,0,0,0,0|0,0,2]=3 3385 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,1,0,0,0,0|0,0,2]=3 3386 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,1,0,0,0,0|1,0,2]=4 3387 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,1,0,0,0,0|1,0,2]=4 3388 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,1,0,0,0,0|1,0,1]=3 3389 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,1,0,0,0,0|1,0,1]=3 3390 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,1,0,0,0,0|1,0,1]=3 3391 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,1,0,0,0,0|1,0,1]=3 3392 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,1,0,0,0,0|2,0,1]=4 3393 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,1,0,0,0,0|1,0,2]=4 3394 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,1,0,0,0,0|1,0,2]=4 3395 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,1,0,0,0,0|1,0,2]=4 3396 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,1,0,0,0,0|1,0,2]=4 3397 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,1,0,0,0,0|1,0,2]=4 3398 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,1,0,0,0,0|1,0,2]=4 3399 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,1,0,0,0,0|1,0,2]=4 3400 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,1,0,0,0,0|1,0,2]=4 3401 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,1,0,0,0,0|1,0,2]=4 3402 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,1,0,0,0,0|1,0,2]=4 3403 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,1,0,0,0,0|1,0,2]=4 3404 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,1,0,0,0,0|1,0,2]=4 3405 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,1,0,0,0,0|1,0,2]=4 3406 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,1,0,0,0,0|0,0,2]=3 3407 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,1,0,0,0,0|0,0,2]=3 3408 B12R0.5 C#CCCCOCCCCOC=C 34a_100000031558_100000695029 [0,1,0,0,0,0|2,0,1]=4 3409 B12R0.5 C#CCCCOCCCCOC=C 7a_100000031558_100011215417 [0,1,0,0,0,0|2,0,1]=4 3410 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [0,1,0,0,0,0|1,0,1]=3 3411 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [0,1,0,0,0,0|1,0,1]=3 3412 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,1,0,0,0,0|2,0,1]=4 3413 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,1,0,0,0,0|2,0,1]=4 3414 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,1,0,0,0,0|1,0,2]=4 3415 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,1,0,0,0,0|1,0,2]=4 3416 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,1,0,0,0,0|1,0,2]=4 3417 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,1,0,0,0,0|1,0,2]=4 3418 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,1,0,0,0,0|0,0,2]=3 3419 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,1,0,0,0,0|0,0,2]=3 3420 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [0,1,0,0,0,0|1,0,1]=3 3421 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,1,0,0,0,0|1,0,2]=4 3422 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,1,0,0,0,0|1,0,2]=4 3423 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,1,0,0,0,0|1,0,2]=4 3424 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,1,0,0,0,0|0,0,2]=3 3425 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,1,0,0,0,0|0,0,2]=3 3426 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,1,0,0,0,0|0,0,2]=3 3427 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,1,0,0,0,0|1,0,2]=4 3428 B12R0.5 C#CCCNCCCOCCCO 2230a_100011310245_100000688953 [0,1,0,0,0,0|1,0,2]=4 3429 B12R0.5 C#CCCNCCCOCCCO 34a_100011310245_100000688953 [0,1,0,0,0,0|1,0,2]=4 3430 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [0,1,0,0,0,0|1,0,1]=3 3431 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [0,1,0,0,0,0|1,0,1]=3 3432 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [0,1,0,0,0,0|1,0,1]=3 3433 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3434 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3435 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,1,0,0,0,0|1,0,2]=4 3436 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,1,0,0,0,0|1,0,2]=4 3437 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,1,0,0,0,0|1,0,2]=4 3438 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,1,0,0,0,0|1,0,2]=4 3439 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,1,0,0,0,0|0,0,2]=3 3440 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,1,0,0,0,0|1,0,2]=4 3441 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,1,0,0,0,0|1,0,2]=4 3442 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,1,0,0,0,0|1,0,2]=4 3443 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [0,1,0,0,0,0|1,0,1]=3 3444 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [0,1,0,0,0,0|1,0,1]=3 3445 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,1,0,0,0,0|1,0,2]=4 3446 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,1,0,0,0,0|1,0,2]=4 3447 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,1,0,0,0,0|0,0,2]=3 3448 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,1,0,0,0,0|0,0,2]=3 3449 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,1,0,0,0,0|1,0,2]=4 3450 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,1,0,0,0,0|1,0,2]=4 3451 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [0,1,0,0,0,0|1,0,1]=3 3452 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,1,0,0,0,0|1,0,2]=4 3453 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,1,0,0,0,0|1,0,2]=4 3454 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,1,0,0,0,0|1,0,2]=4 3455 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,1,0,0,0,0|0,0,2]=3 3456 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,1,0,0,0,0|0,0,2]=3 3457 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,1,0,0,0,0|0,0,2]=3 3458 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [0,1,0,0,0,0|1,0,1]=3 3459 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [0,1,0,0,0,0|1,0,1]=3 3460 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [0,1,0,0,0,0|1,0,1]=3 3461 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,1,0,0,0,0|1,0,2]=4 3462 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,1,0,0,0,0|1,0,2]=4 3463 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,1,0,0,0,0|1,0,2]=4 3464 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,1,0,0,0,0|1,0,2]=4 3465 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,1,0,0,0,0|1,0,2]=4 3466 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,1,0,0,0,0|1,0,2]=4 3467 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,1,0,0,0,0|1,0,2]=4 3468 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,1,0,0,0,0|1,0,2]=4 3469 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,1,0,0,0,0|0,0,2]=3 3470 B12R0.5 C#CCOCCNCCCCC=C 2230a_100000700922_100011215482 [0,1,0,0,0,0|2,0,1]=4 3471 B12R0.5 C#CCOCCNCCCCC=C 2230a_100000703577_100010402529 [0,1,0,0,0,0|2,0,1]=4 3472 B12R0.5 C#CCOCCNCCCCC=C 34a_100000700922_100011215482 [0,1,0,0,0,0|2,0,1]=4 3473 B12R0.5 C#CCOCCNCCCCC=C 34a_100000703577_100010402529 [0,1,0,0,0,0|2,0,1]=4 3474 B12R0.5 C#CCOCCNCCCCCO 2230a_100000700922_100000746330 [0,1,0,0,0,0|1,0,2]=4 3475 B12R0.5 C#CCOCCNCCCCCO 2230a_100000762737_100010402529 [0,1,0,0,0,0|1,0,2]=4 3476 B12R0.5 C#CCOCCNCCCCCO 34a_100000700922_100000746330 [0,1,0,0,0,0|1,0,2]=4 3477 B12R0.5 C#CCOCCNCCCCCO 34a_100000762737_100010402529 [0,1,0,0,0,0|1,0,2]=4 3478 B12R0.5 C#CCOCCOCCCCC=C 34a_100000054580_100011215482 [0,1,0,0,0,0|2,0,1]=4 3479 B12R0.5 C#CCOCCOCCCCC=C 34a_100000766645_100010402529 [0,1,0,0,0,0|2,0,1]=4 3480 B12R0.5 C#CCOCCOCCCCC=C 7a_100000054580_100011215482 [0,1,0,0,0,0|2,0,1]=4 3481 B12R0.5 C#CCOCCOCCCCC=C 7a_100000766645_100010402529 [0,1,0,0,0,0|2,0,1]=4 3482 B12R0.5 C#CCOCCOCCCCCO 34a_100000054580_100000746330 [0,1,0,0,0,0|1,0,2]=4 3483 B12R0.5 C#CCOCCOCCCCCO 7a_100000054580_100000746330 [0,1,0,0,0,0|1,0,2]=4 3484 B12R0.5 C#CCOCCSCCCCC=C 62a_100010402529_100011215482 [0,1,0,0,0,0|2,0,1]=4 3485 B12R0.5 C#CCOCCSCCCCC=C 62a_100011215482_100010402529 [0,1,0,0,0,0|2,0,1]=4 3486 B12R0.5 C#CCOCCSCCCCCO 62a_100000746330_100010402529 [0,1,0,0,0,0|1,0,2]=4 3487 B12R0.5 C#CCOCCSCCCCCO 62a_100010402529_100000746330 [0,1,0,0,0,0|1,0,2]=4 3488 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [0,1,0,0,0,0|1,0,1]=3 3489 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,1,0,0,0,0|1,0,2]=4 3490 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,1,0,0,0,0|0,0,2]=3 3491 B12R0.5 C/C=C/C=C/COCCCCCO 34a_100016283227_100000746330 [0,1,0,0,0,0|1,0,2]=4 3492 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|2,0,0]=3 3493 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,1,0,0,0,0|2,0,0]=3 3494 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,1,0,0,0,0|1,0,0]=2 3495 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,1,0,0,0,0|3,0,0]=4 3496 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,1,0,0,0,0|2,0,0]=3 3497 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,1,0,0,0,0|1,0,0]=2 3498 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,1,0,0,0,0|3,0,0]=4 3499 B12R0.5 C/C=C/CNCCCOCCCO 34a_100011310245_100102629194 [0,1,0,0,0,0|2,0,0]=3 3500 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,1,0,0,0,0|2,0,0]=3 3501 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,1,0,0,0,0|2,0,0]=3 3502 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,0,0,0,0|2,0,0]=3 3503 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,0,0,0,0|2,0,0]=3 3504 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,0,0,0,0|2,0,0]=3 3505 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,1,0,0,0,0|2,0,0]=3 3506 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,1,0,0,0,0|1,0,0]=2 3507 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,1,0,0,0,0|1,0,2]=4 3508 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,1,0,0,0,0|1,0,2]=4 3509 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,1,0,0,0,0|1,0,2]=4 3510 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,1,0,0,0,0|3,0,0]=4 3511 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,1,0,0,0,0|3,0,0]=4 3512 B12R0.5 C/C=C/COCCCOCCCN 34a_100011310245_100102629194 [0,1,0,0,0,0|3,0,0]=4 3513 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,1,0,0,0,0|3,0,0]=4 3514 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,1,0,0,0,0|3,0,0]=4 3515 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,1,0,0,0,0|3,0,0]=4 3516 B12R0.5 C/C=C/CSCCCCCCC#N 62a_100009813337_100102629194 [0,1,0,0,0,0|2,0,1]=4 3517 B12R0.5 C/C=C/CSCCCCCCC#N 62a_100102629194_100009813337 [0,1,0,0,0,0|2,0,1]=4 3518 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,1,0,0,0,0|2,0,0]=3 3519 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,1,0,0,0,0|2,0,0]=3 3520 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,1,0,0,0,0|1,0,0]=2 3521 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,1,0,0,0,0|1,0,0]=2 3522 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,1,0,0,0,0|1,0,2]=4 3523 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,1,0,0,0,0|1,0,2]=4 3524 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [0,1,0,0,0,0|1,0,2]=4 3525 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [0,1,0,0,0,0|1,0,2]=4 3526 B12R0.5 C=CCCC/C=C/COCCCF 34a_200016268473_100011934791 [0,1,0,0,0,0|1,0,2]=4 3527 B12R0.5 C=CCCC/C=C/COCCCF 7a_200016268473_100011934791 [0,1,0,0,0,0|1,0,2]=4 3528 B12R0.5 C=CCCC/C=C/COCCCO 34a_200016268473_100000230001 [0,1,0,0,0,0|0,0,2]=3 3529 B12R0.5 C=CCCC/C=C/COCCCO 7a_200016268473_100011215043 [0,1,0,0,0,0|0,0,2]=3 3530 B12R0.5 C=CCCC/C=C/COCCOC 34a_200016268473_100011201679 [0,1,0,0,0,0|1,0,2]=4 3531 B12R0.5 C=CCCC/C=C/COCCOC 7a_200016268473_100000233755 [0,1,0,0,0,0|1,0,2]=4 3532 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,1,0,0,0,0|1,0,0]=2 3533 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,1,0,0,0,0|1,0,0]=2 3534 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,1,0,0,0,0|1,0,0]=2 3535 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,1,0,0,0,0|1,0,0]=2 3536 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,1,0,0,0,0|1,0,0]=2 3537 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,1,0,0,0,0|1,0,0]=2 3538 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,1,0,0,0,0|1,0,0]=2 3539 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,1,0,0,0,0|0,0,0]=1 3540 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,1,0,0,0,0|0,0,0]=1 3541 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,1,0,0,0,0|0,0,0]=1 3542 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,1,0,0,0,0|0,0,0]=1 3543 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,1,0,0,0,0|0,0,0]=1 3544 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,1,0,0,0,0|0,1,0]=2 3545 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,1,0,0,0,0|0,1,0]=2 3546 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,1,0,0,0,0|0,1,0]=2 3547 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,1,0,0,0,0|0,1,0]=2 3548 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,1,0,0,0,0|1,0,0]=2 3549 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,1,0,0,0,0|1,0,0]=2 3550 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,1,0,0,0,0|1,0,0]=2 3551 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,1,0,0,0,0|1,0,0]=2 3552 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,1,0,0,0,0|1,0,0]=2 3553 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,1,0,0,0,0|1,0,0]=2 3554 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,1,0,0,0,0|1,0,0]=2 3555 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,1,0,0,0,0|1,0,0]=2 3556 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,1,0,0,0,0|1,0,0]=2 3557 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,1,0,0,0,0|1,0,0]=2 3558 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [0,1,0,0,0,0|1,0,1]=3 3559 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,1,0,0,0,0|1,0,0]=2 3560 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,1,0,0,0,0|0,0,0]=1 3561 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,1,0,0,0,0|0,0,0]=1 3562 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [0,1,0,0,0,0|1,0,1]=3 3563 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [0,1,0,0,0,0|1,0,1]=3 3564 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [0,1,0,0,0,0|1,0,1]=3 3565 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [0,1,0,0,0,0|1,0,1]=3 3566 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,1,0,0,0,0|0,0,2]=3 3567 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,1,0,0,0,0|0,0,2]=3 3568 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,1,0,0,0,0|1,0,0]=2 3569 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,1,0,0,0,0|1,0,0]=2 3570 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,1,0,0,0,0|1,0,0]=2 3571 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,1,0,0,0,0|1,0,0]=2 3572 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,1,0,0,0,0|1,0,0]=2 3573 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,1,0,0,0,0|1,0,0]=2 3574 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,1,0,0,0,0|1,0,0]=2 3575 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,1,0,0,0,0|0,0,0]=1 3576 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,1,0,0,0,0|0,0,0]=1 3577 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,1,0,0,0,0|1,1,0]=3 3578 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [0,1,0,0,0,0|1,0,1]=3 3579 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [0,1,0,0,0,0|1,0,1]=3 3580 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [0,1,0,0,0,0|1,0,1]=3 3581 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [0,1,0,0,0,0|1,0,1]=3 3582 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,1,0,0,0,0|0,0,2]=3 3583 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,1,0,0,0,0|0,0,2]=3 3584 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,1,0,0,0,0|1,0,0]=2 3585 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,1,0,0,0,0|1,0,0]=2 3586 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,1,0,0,0,0|1,0,0]=2 3587 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,1,0,0,0,0|1,0,0]=2 3588 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,1,0,0,0,0|0,0,0]=1 3589 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,1,0,0,0,0|0,0,0]=1 3590 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,1,0,0,0,0|1,0,0]=2 3591 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,1,0,0,0,0|1,0,0]=2 3592 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,1,0,0,0,0|1,1,0]=3 3593 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,1,0,0,0,0|1,1,0]=3 3594 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 3595 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 3596 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [0,1,0,0,0,0|1,0,1]=3 3597 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,1,0,0,0,0|1,0,0]=2 3598 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,1,0,0,0,0|1,0,0]=2 3599 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,1,0,0,0,0|1,0,0]=2 3600 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,1,0,0,0,0|1,0,0]=2 3601 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,1,0,0,0,0|1,0,0]=2 3602 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,1,0,0,0,0|1,1,0]=3 3603 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [0,1,0,0,0,0|1,0,2]=4 3606 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [0,1,0,0,0,0|1,0,2]=4 3607 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 3608 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 3609 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [0,1,0,0,0,0|1,0,2]=4 3611 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [0,1,0,0,0,0|1,0,1]=3 3612 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [0,1,0,0,0,0|1,0,1]=3 3613 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [0,1,0,0,0,0|1,0,1]=3 3614 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [0,1,0,0,0,0|1,0,1]=3 3615 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,1,0,0,0,0|1,0,0]=2 3616 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,1,0,0,0,0|1,0,0]=2 3617 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,1,0,0,0,0|1,0,0]=2 3618 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,1,0,0,0,0|1,0,0]=2 3619 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,1,0,0,0,0|1,0,0]=2 3620 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,1,0,0,0,0|1,0,0]=2 3621 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,1,0,0,0,0|1,0,0]=2 3622 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,1,0,0,0,0|1,0,0]=2 3623 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,1,0,0,0,0|1,0,0]=2 3624 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,1,0,0,0,0|1,0,0]=2 3625 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,1,0,0,0,0|0,0,0]=1 3626 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,1,0,0,0,0|0,0,0]=1 3627 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,1,0,0,0,0|1,0,0]=2 3628 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,1,0,0,0,0|1,0,0]=2 3629 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,1,0,0,0,0|1,0,0]=2 3630 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,1,0,0,0,0|1,0,0]=2 3631 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,1,0,0,0,0|1,1,0]=3 3632 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,1,0,0,0,0|1,1,0]=3 3633 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,1,0,0,0,0|1,1,0]=3 3634 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,1,0,0,0,0|1,1,0]=3 3635 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [0,1,0,0,0,0|1,0,2]=4 3636 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [0,1,0,0,0,0|1,0,2]=4 3637 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [0,1,0,0,0,0|1,0,2]=4 3638 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [0,1,0,0,0,0|1,0,2]=4 3639 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [0,1,0,0,0,0|1,0,2]=4 3640 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [0,1,0,0,0,0|1,0,2]=4 3641 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [0,1,0,0,0,0|1,0,1]=3 3642 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [0,1,0,0,0,0|1,0,1]=3 3643 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [0,1,0,0,0,0|1,0,1]=3 3644 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [0,1,0,0,0,0|1,0,1]=3 3645 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,1,0,0,0,0|1,0,0]=2 3646 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,1,0,0,0,0|1,0,0]=2 3647 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,1,0,0,0,0|1,0,0]=2 3648 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,1,0,0,0,0|1,0,0]=2 3649 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,1,0,0,0,0|0,0,0]=1 3650 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,1,0,0,0,0|0,0,0]=1 3651 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,1,0,0,0,0|1,0,0]=2 3652 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,1,0,0,0,0|1,0,0]=2 3653 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,1,0,0,0,0|1,1,0]=3 3654 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,1,0,0,0,0|1,1,0]=3 3655 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,1,0,0,0,0|2,0,0]=3 3656 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,1,0,0,0,0|2,0,0]=3 3657 B12R0.5 C=CCCCCCCSCSC#N 62a_100000211825_100011215473 [0,1,0,0,0,0|2,0,1]=4 3658 B12R0.5 C=CCCCCCCSCSC#N 62a_100011215473_100000211825 [0,1,0,0,0,0|2,0,1]=4 3659 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [0,1,0,0,0,0|1,0,1]=3 3660 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [0,1,0,0,0,0|1,0,1]=3 3661 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,1,0,0,0,0|1,0,0]=2 3662 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,1,0,0,0,0|0,0,0]=1 3663 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,1,0,0,0,0|0,0,0]=1 3664 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,1,0,0,0,0|1,0,0]=2 3665 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,1,0,0,0,0|1,1,0]=3 3666 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,1,0,0,0,0|2,0,0]=3 3667 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,1,0,0,0,0|2,0,0]=3 3668 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,1,0,0,0,0|2,0,0]=3 3669 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 3670 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,1,0,0,0,0|1,0,2]=4 3671 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 3672 B12R0.5 C=CCCCCCOCC#CCC 34a_100000032950_100000700193 [0,1,0,0,0,0|1,0,2]=4 3673 B12R0.5 C=CCCCCCOCC#CCC 34a_100011216702_100009813939 [0,1,0,0,0,0|1,0,2]=4 3674 B12R0.5 C=CCCCCCOCC#CCC 7a_100011216702_100009813939 [0,1,0,0,0,0|1,0,2]=4 3675 B12R0.5 C=CCCCCCOCC#CCCl 34a_200000047223_100000700193 [0,1,0,0,0,0|1,0,2]=4 3676 B12R0.5 C=CCCCCCOCC#CCO 34a_100011216702_200000047223 [0,1,0,0,0,0|0,0,2]=3 3677 B12R0.5 C=CCCCCCOCC#CCO 7a_100011216702_200000047223 [0,1,0,0,0,0|0,0,2]=3 3678 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,1,0,0,0,0|1,0,2]=4 3679 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,1,0,0,0,0|1,0,2]=4 3680 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,1,0,0,0,0|1,0,1]=3 3681 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,1,0,0,0,0|1,0,1]=3 3682 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,1,0,0,0,0|1,0,1]=3 3683 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,1,0,0,0,0|1,0,1]=3 3684 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,1,0,0,0,0|1,0,1]=3 3685 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,1,0,0,0,0|0,0,2]=3 3686 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,1,0,0,0,0|1,0,0]=2 3687 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,1,0,0,0,0|1,0,0]=2 3688 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,1,0,0,0,0|1,0,0]=2 3689 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,1,0,0,0,0|1,0,0]=2 3690 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,1,0,0,0,0|1,0,0]=2 3691 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,1,0,0,0,0|1,0,0]=2 3692 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,1,0,0,0,0|1,0,0]=2 3693 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,1,0,0,0,0|1,0,0]=2 3694 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,1,0,0,0,0|1,0,0]=2 3695 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,1,0,0,0,0|1,0,0]=2 3696 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,1,0,0,0,0|1,0,0]=2 3697 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,1,0,0,0,0|1,0,0]=2 3698 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,1,0,0,0,0|1,0,0]=2 3699 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,1,0,0,0,0|0,0,0]=1 3700 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,1,0,0,0,0|0,0,0]=1 3701 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,1,0,0,0,0|2,0,0]=3 3702 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,1,0,0,0,0|1,0,0]=2 3703 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,1,0,0,0,0|1,0,0]=2 3704 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,1,0,0,0,0|1,0,0]=2 3705 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,1,0,0,0,0|1,1,0]=3 3706 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,1,0,0,0,0|1,1,0]=3 3707 B12R0.5 C=CCCCCCOCCOC=C 34a_100000033082_100000700193 [0,1,0,0,0,0|2,0,1]=4 3708 B12R0.5 C=CCCCCCOCCOC=C 34a_100011216702_100000039644 [0,1,0,0,0,0|2,0,1]=4 3709 B12R0.5 C=CCCCCCOCCOC=C 7a_100011216702_100000039644 [0,1,0,0,0,0|2,0,1]=4 3710 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,1,0,0,0,0|2,0,0]=3 3711 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,1,0,0,0,0|2,0,0]=3 3712 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,1,0,0,0,0|2,0,0]=3 3713 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,1,0,0,0,0|2,0,0]=3 3714 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,1,0,0,0,0|2,0,0]=3 3715 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,1,0,0,0,0|2,0,0]=3 3716 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,1,0,0,0,0|2,0,0]=3 3717 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,1,0,0,0,0|2,0,0]=3 3718 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,1,0,0,0,0|1,0,2]=4 3719 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,1,0,0,0,0|1,0,2]=4 3720 B12R0.5 C=CCCCCCSCC#CCC 62a_100000700193_100009813939 [0,1,0,0,0,0|1,0,2]=4 3721 B12R0.5 C=CCCCCCSCC#CCC 62a_100009813939_100000700193 [0,1,0,0,0,0|1,0,2]=4 3722 B12R0.5 C=CCCCCCSCC#CCO 62a_100000700193_200000047223 [0,1,0,0,0,0|0,0,2]=3 3723 B12R0.5 C=CCCCCCSCC#CCO 62a_200000047223_100000700193 [0,1,0,0,0,0|0,0,2]=3 3724 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [0,1,0,0,0,0|1,0,1]=3 3725 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [0,1,0,0,0,0|1,0,1]=3 3726 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [0,1,0,0,0,0|1,0,1]=3 3727 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [0,1,0,0,0,0|1,0,1]=3 3728 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,1,0,0,0,0|0,0,2]=3 3729 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,1,0,0,0,0|0,0,2]=3 3730 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,1,0,0,0,0|1,0,0]=2 3731 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,1,0,0,0,0|1,0,0]=2 3732 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,1,0,0,0,0|1,0,0]=2 3733 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,1,0,0,0,0|1,0,0]=2 3734 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,1,0,0,0,0|0,0,0]=1 3735 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,1,0,0,0,0|0,0,0]=1 3736 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,1,0,0,0,0|1,0,0]=2 3737 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,1,0,0,0,0|1,0,0]=2 3738 B12R0.5 C=CCCCCCSCCOC=C 62a_100000039644_100000700193 [0,1,0,0,0,0|2,0,1]=4 3739 B12R0.5 C=CCCCCCSCCOC=C 62a_100000700193_100000039644 [0,1,0,0,0,0|2,0,1]=4 3740 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,1,0,0,0,0|2,0,0]=3 3741 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,1,0,0,0,0|2,0,0]=3 3742 B12R0.5 C=CCCCCCSCCSC#N 62a_100000034367_100000700193 [0,1,0,0,0,0|2,0,1]=4 3743 B12R0.5 C=CCCCCCSCCSC#N 62a_100000700193_100000034367 [0,1,0,0,0,0|2,0,1]=4 3744 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,1,0,0,0,0|2,0,0]=3 3745 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,1,0,0,0,0|2,0,0]=3 3746 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 3747 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 3748 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [0,1,0,0,0,0|1,0,1]=3 3749 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [0,1,0,0,0,0|1,0,1]=3 3750 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [0,1,0,0,0,0|1,0,1]=3 3751 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,1,0,0,0,0|0,0,2]=3 3752 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,1,0,0,0,0|1,0,0]=2 3753 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,1,0,0,0,0|1,0,0]=2 3754 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,1,0,0,0,0|1,0,0]=2 3755 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,1,0,0,0,0|1,0,0]=2 3756 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,1,0,0,0,0|1,0,0]=2 3757 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,1,0,0,0,0|0,0,0]=1 3758 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,1,0,0,0,0|0,0,0]=1 3759 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,1,0,0,0,0|0,0,0]=1 3760 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,1,0,0,0,0|0,0,0]=1 3761 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,1,0,0,0,0|1,0,0]=2 3762 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,1,0,0,0,0|1,0,0]=2 3763 B12R0.5 C=CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011215482 [0,1,0,0,0,0|3,0,0]=4 3764 B12R0.5 C=CCCCCNCCCOC=C 2230a_100000210767_100011215482 [0,1,0,0,0,0|2,0,1]=4 3765 B12R0.5 C=CCCCCNCCCOC=C 34a_100000210767_100011215482 [0,1,0,0,0,0|2,0,1]=4 3766 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,1,0,0,0,0|2,0,0]=3 3767 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,1,0,0,0,0|2,0,0]=3 3768 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,1,0,0,0,0|2,0,0]=3 3769 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,1,0,0,0,0|2,0,0]=3 3770 B12R0.5 C=CCCCCNCCOCC#N 2230a_100000703577_200000047693 [0,1,0,0,0,0|2,0,1]=4 3771 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,1,0,0,0,0|2,0,0]=3 3772 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,1,0,0,0,0|2,0,0]=3 3773 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,1,0,0,0,0|2,0,0]=3 3774 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,1,0,0,0,0|2,0,0]=3 3775 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,1,0,0,0,0|1,0,0]=2 3776 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,1,0,0,0,0|1,0,0]=2 3777 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,1,0,0,0,0|1,0,0]=2 3778 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,1,0,0,0,0|1,0,0]=2 3779 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,1,0,0,0,0|2,0,0]=3 3780 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,1,0,0,0,0|1,0,0]=2 3781 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,1,0,0,0,0|2,0,0]=3 3782 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,1,0,0,0,0|2,0,0]=3 3783 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,1,0,0,0,0|2,0,0]=3 3784 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,1,0,0,0,0|1,0,2]=4 3785 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,1,0,0,0,0|1,0,2]=4 3786 B12R0.5 C=CCCCCOCC#CCCC 34a_100000034806_100011215482 [0,1,0,0,0,0|1,0,2]=4 3787 B12R0.5 C=CCCCCOCC#CCCC 7a_100000034806_100011215482 [0,1,0,0,0,0|1,0,2]=4 3788 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 3789 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 3790 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 3791 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 3792 B12R0.5 C=CCCCCOCCC#CCC 34a_100000036655_100011215482 [0,1,0,0,0,0|1,0,2]=4 3793 B12R0.5 C=CCCCCOCCC#CCC 7a_100000036655_100011215482 [0,1,0,0,0,0|1,0,2]=4 3794 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,1,0,0,0,0|1,0,2]=4 3795 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,1,0,0,0,0|1,0,1]=3 3796 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,1,0,0,0,0|1,0,1]=3 3797 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,1,0,0,0,0|1,0,1]=3 3798 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,1,0,0,0,0|0,0,2]=3 3799 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,1,0,0,0,0|1,0,0]=2 3800 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,1,0,0,0,0|1,0,0]=2 3801 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,1,0,0,0,0|1,0,0]=2 3802 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,1,0,0,0,0|1,0,0]=2 3803 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,1,0,0,0,0|1,0,0]=2 3804 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,1,0,0,0,0|1,0,0]=2 3805 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,1,0,0,0,0|1,0,0]=2 3806 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,1,0,0,0,0|1,0,0]=2 3807 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,1,0,0,0,0|1,0,0]=2 3808 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,1,0,0,0,0|1,0,0]=2 3809 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,1,0,0,0,0|1,0,0]=2 3810 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,1,0,0,0,0|1,0,0]=2 3811 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,1,0,0,0,0|1,0,0]=2 3812 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,1,0,0,0,0|0,0,0]=1 3813 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,1,0,0,0,0|0,0,0]=1 3814 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,1,0,0,0,0|1,0,0]=2 3815 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,1,0,0,0,0|1,0,0]=2 3816 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,1,0,0,0,0|1,0,0]=2 3817 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,1,0,0,0,0|1,1,0]=3 3818 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,1,0,0,0,0|1,1,0]=3 3819 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,1,0,0,0,0|2,0,0]=3 3820 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,1,0,0,0,0|2,0,0]=3 3821 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,1,0,0,0,0|2,0,0]=3 3822 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,1,0,0,0,0|2,0,0]=3 3823 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,1,0,0,0,0|2,0,0]=3 3824 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,1,0,0,0,0|2,0,0]=3 3825 B12R0.5 C=CCCCCOCCOCC#N 7a_100000766645_200000047693 [0,1,0,0,0,0|2,0,1]=4 3826 B12R0.5 C=CCCCCOCCOCC=C 34a_100000037705_100011215482 [0,1,0,0,0,0|2,0,1]=4 3827 B12R0.5 C=CCCCCOCCOCC=C 7a_100000037705_100011215482 [0,1,0,0,0,0|2,0,1]=4 3828 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,1,0,0,0,0|2,0,0]=3 3829 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,1,0,0,0,0|2,0,0]=3 3830 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,1,0,0,0,0|2,0,0]=3 3831 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,1,0,0,0,0|2,0,0]=3 3832 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,1,0,0,0,0|2,0,0]=3 3833 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,1,0,0,0,0|2,0,0]=3 3834 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,1,0,0,0,0|2,0,0]=3 3835 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,1,0,0,0,0|2,0,0]=3 3836 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,1,0,0,0,0|2,0,0]=3 3837 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,1,0,0,0,0|2,0,0]=3 3838 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,1,0,0,0,0|2,0,0]=3 3839 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,1,0,0,0,0|2,0,0]=3 3840 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,1,0,0,0,0|2,0,0]=3 3841 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,1,0,0,0,0|1,0,0]=2 3842 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,1,0,0,0,0|1,0,0]=2 3843 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,1,0,0,0,0|2,0,0]=3 3844 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,1,0,0,0,0|2,0,0]=3 3845 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,1,0,0,0,0|2,0,0]=3 3846 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,1,0,0,0,0|1,0,2]=4 3847 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,1,0,0,0,0|1,0,2]=4 3848 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [0,1,0,0,0,0|1,0,1]=3 3849 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [0,1,0,0,0,0|1,0,1]=3 3850 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [0,1,0,0,0,0|1,0,1]=3 3851 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,1,0,0,0,0|0,0,2]=3 3852 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,1,0,0,0,0|0,0,2]=3 3853 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,1,0,0,0,0|1,0,0]=2 3854 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,1,0,0,0,0|1,0,0]=2 3855 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,1,0,0,0,0|1,0,0]=2 3856 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,1,0,0,0,0|1,0,0]=2 3857 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,1,0,0,0,0|0,0,0]=1 3858 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,1,0,0,0,0|0,0,0]=1 3859 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,1,0,0,0,0|1,0,0]=2 3860 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,1,0,0,0,0|1,0,0]=2 3861 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,1,0,0,0,0|2,0,0]=3 3862 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,1,0,0,0,0|2,0,0]=3 3863 B12R0.5 C=CCCCCSCCOCC#N 62a_100011215482_200000047693 [0,1,0,0,0,0|2,0,1]=4 3864 B12R0.5 C=CCCCCSCCOCC#N 62a_200000047693_100011215482 [0,1,0,0,0,0|2,0,1]=4 3865 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,1,0,0,0,0|2,0,0]=3 3866 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,1,0,0,0,0|2,0,0]=3 3867 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,1,0,0,0,0|1,0,0]=2 3868 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,1,0,0,0,0|1,0,0]=2 3869 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,1,0,0,0,0|2,0,0]=3 3870 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,1,0,0,0,0|2,0,0]=3 3871 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,1,0,0,0,0|2,0,0]=3 3872 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,1,0,0,0,0|2,0,0]=3 3873 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [0,1,0,0,0,0|1,0,1]=3 3874 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,1,0,0,0,0|0,0,2]=3 3875 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,1,0,0,0,0|1,0,0]=2 3876 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,1,0,0,0,0|1,0,0]=2 3877 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,1,0,0,0,0|1,0,0]=2 3878 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,1,0,0,0,0|1,0,0]=2 3879 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,1,0,0,0,0|1,0,0]=2 3880 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,1,0,0,0,0|0,0,0]=1 3881 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,1,0,0,0,0|0,0,0]=1 3882 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,1,0,0,0,0|0,0,0]=1 3883 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,1,0,0,0,0|0,0,0]=1 3884 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,1,0,0,0,0|1,0,0]=2 3885 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,1,0,0,0,0|1,0,0]=2 3886 B12R0.5 C=CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011713584 [0,1,0,0,0,0|3,0,0]=4 3887 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,1,0,0,0,0|2,0,0]=3 3888 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,1,0,0,0,0|2,0,0]=3 3889 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,1,0,0,0,0|2,0,0]=3 3890 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,1,0,0,0,0|2,0,0]=3 3891 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,1,0,0,0,0|2,0,0]=3 3892 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,1,0,0,0,0|2,0,0]=3 3893 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,1,0,0,0,0|2,0,0]=3 3894 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,1,0,0,0,0|2,0,0]=3 3895 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,1,0,0,0,0|2,0,0]=3 3896 B12R0.5 C=CCCCOC/C=C/CCCC 34a_200016272032_100000757094 [0,1,0,0,0,0|1,0,2]=4 3897 B12R0.5 C=CCCCOC/C=C/CCCC 7a_200016272032_100000757094 [0,1,0,0,0,0|1,0,2]=4 3898 B12R0.5 C=CCCCOCC#CCCCC 34a_200000034558_100000757094 [0,1,0,0,0,0|1,0,2]=4 3899 B12R0.5 C=CCCCOCC#CCCCC 7a_200000034558_100000757094 [0,1,0,0,0,0|1,0,2]=4 3900 B12R0.5 C=CCCCOCCC#CCCC 34a_100000042726_100000757094 [0,1,0,0,0,0|1,0,2]=4 3901 B12R0.5 C=CCCCOCCC#CCCC 7a_100000042726_100000757094 [0,1,0,0,0,0|1,0,2]=4 3902 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 3903 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 3904 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,1,0,0,0,0|1,0,1]=3 3905 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,1,0,0,0,0|0,0,2]=3 3906 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,1,0,0,0,0|1,0,0]=2 3907 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,1,0,0,0,0|1,0,0]=2 3908 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,1,0,0,0,0|1,0,0]=2 3909 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,1,0,0,0,0|1,0,0]=2 3910 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,1,0,0,0,0|1,0,0]=2 3911 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,1,0,0,0,0|1,0,0]=2 3912 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,1,0,0,0,0|1,0,0]=2 3913 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,1,0,0,0,0|1,0,0]=2 3914 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,1,0,0,0,0|1,0,0]=2 3915 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,1,0,0,0,0|1,0,0]=2 3916 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,1,0,0,0,0|1,0,0]=2 3917 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,1,0,0,0,0|1,0,0]=2 3918 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,1,0,0,0,0|1,0,0]=2 3919 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,1,0,0,0,0|0,0,0]=1 3920 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,1,0,0,0,0|0,0,0]=1 3921 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,1,0,0,0,0|2,0,0]=3 3922 B12R0.5 C=CCCCOCCCCOC=C 34a_100000031558_100000757094 [0,1,0,0,0,0|2,0,1]=4 3923 B12R0.5 C=CCCCOCCCCOC=C 7a_100000031558_100000757094 [0,1,0,0,0,0|2,0,1]=4 3924 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,1,0,0,0,0|2,0,0]=3 3925 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,1,0,0,0,0|2,0,0]=3 3926 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,1,0,0,0,0|2,0,0]=3 3927 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,1,0,0,0,0|2,0,0]=3 3928 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,1,0,0,0,0|3,0,0]=4 3929 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,1,0,0,0,0|2,0,0]=3 3930 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,1,0,0,0,0|2,0,0]=3 3931 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,1,0,0,0,0|2,0,0]=3 3932 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,1,0,0,0,0|2,0,0]=3 3933 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,1,0,0,0,0|2,0,0]=3 3935 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [0,1,0,0,0,0|1,0,1]=3 3936 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [0,1,0,0,0,0|1,0,1]=3 3937 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,1,0,0,0,0|0,0,2]=3 3938 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,1,0,0,0,0|0,0,2]=3 3939 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,1,0,0,0,0|1,0,0]=2 3940 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,1,0,0,0,0|1,0,0]=2 3941 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,1,0,0,0,0|1,0,0]=2 3942 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,1,0,0,0,0|1,0,0]=2 3943 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,1,0,0,0,0|0,0,0]=1 3944 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,1,0,0,0,0|0,0,0]=1 3945 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,1,0,0,0,0|2,0,0]=3 3946 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,1,0,0,0,0|2,0,0]=3 3947 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,1,0,0,0,0|2,0,0]=3 3948 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,1,0,0,0,0|2,0,0]=3 3949 B12R0.5 C=CCCNCC#CCCCCC 2230a_100015191253_100009816472 [0,1,0,0,0,0|1,0,2]=4 3950 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [0,1,0,0,0,0|1,0,1]=3 3951 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,1,0,0,0,0|1,0,0]=2 3952 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,1,0,0,0,0|1,0,0]=2 3953 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,1,0,0,0,0|1,0,0]=2 3954 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,1,0,0,0,0|0,0,0]=1 3955 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,1,0,0,0,0|0,0,0]=1 3956 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,1,0,0,0,0|0,0,0]=1 3957 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,1,0,0,0,0|1,0,0]=2 3958 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,1,0,0,0,0|2,0,0]=3 3959 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,1,0,0,0,0|2,0,0]=3 3960 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,1,0,0,0,0|1,0,0]=2 3961 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,1,0,0,0,0|1,0,0]=2 3962 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,1,0,0,0,0|2,0,0]=3 3963 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,1,0,0,0,0|2,0,0]=3 3964 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,1,0,0,0,0|2,0,0]=3 3965 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,1,0,0,0,0|3,0,0]=4 3966 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,1,0,0,0,0|3,0,0]=4 3967 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,1,0,0,0,0|3,0,0]=4 3968 B12R0.5 C=CCCOC/C=C/CCCCC 34a_100016258190_100000754431 [0,1,0,0,0,0|1,0,2]=4 3969 B12R0.5 C=CCCOC/C=C/CCCCC 7a_100016258190_100000754431 [0,1,0,0,0,0|1,0,2]=4 3970 B12R0.5 C=CCCOCC#CCCCCC 34a_100011205117_100009816472 [0,1,0,0,0,0|1,0,2]=4 3971 B12R0.5 C=CCCOCC#CCCCCC 34a_200000033628_100000754431 [0,1,0,0,0,0|1,0,2]=4 3972 B12R0.5 C=CCCOCC#CCCCCC 7a_200000033628_100000754431 [0,1,0,0,0,0|1,0,2]=4 3973 B12R0.5 C=CCCOCC/C=C\CCCC 34a_200016286491_100000754431 [0,1,0,0,0,0|1,0,2]=4 3974 B12R0.5 C=CCCOCC/C=C\CCCC 7a_200016286491_100000754431 [0,1,0,0,0,0|1,0,2]=4 3975 B12R0.5 C=CCCOCCC#CCCCC 34a_100000037610_100000754431 [0,1,0,0,0,0|1,0,2]=4 3976 B12R0.5 C=CCCOCCC#CCCCC 7a_100000037610_100000754431 [0,1,0,0,0,0|1,0,2]=4 3977 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 3978 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 3979 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,1,0,0,0,0|1,0,0]=2 3980 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,1,0,0,0,0|1,0,0]=2 3981 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,0,0,0,0|1,0,0]=2 3982 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,0,0,0,0|1,0,0]=2 3983 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,0,0,0,0|1,0,0]=2 3984 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,1,0,0,0,0|1,0,0]=2 3985 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,1,0,0,0,0|0,0,0]=1 3986 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,1,0,0,0,0|1,0,0]=2 3987 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,1,0,0,0,0|1,0,0]=2 3988 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,1,0,0,0,0|1,0,0]=2 3989 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,1,0,0,0,0|2,0,0]=3 3990 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,1,0,0,0,0|2,0,0]=3 3991 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,1,0,0,0,0|2,0,0]=3 3992 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,1,0,0,0,0|2,0,0]=3 3993 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,1,0,0,0,0|2,0,0]=3 3994 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,1,0,0,0,0|2,0,0]=3 3995 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,1,0,0,0,0|2,0,0]=3 3996 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,1,0,0,0,0|3,0,0]=4 3997 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,1,0,0,0,0|3,0,0]=4 3998 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,1,0,0,0,0|3,0,0]=4 3999 B12R0.5 C=CCCSCC#CCCCCC 62a_100000754431_100009816472 [0,1,0,0,0,0|1,0,2]=4 4000 B12R0.5 C=CCCSCC#CCCCCC 62a_100009816472_100000754431 [0,1,0,0,0,0|1,0,2]=4 4001 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [0,1,0,0,0,0|1,0,1]=3 4002 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [0,1,0,0,0,0|1,0,1]=3 4003 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,1,0,0,0,0|1,0,0]=2 4004 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,1,0,0,0,0|1,0,0]=2 4005 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,1,0,0,0,0|0,0,0]=1 4006 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,1,0,0,0,0|0,0,0]=1 4007 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,1,0,0,0,0|1,0,0]=2 4008 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,1,0,0,0,0|1,0,0]=2 4009 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,1,0,0,0,0|2,0,0]=3 4010 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,1,0,0,0,0|2,0,0]=3 4011 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,1,0,0,0,0|3,0,0]=4 4012 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,1,0,0,0,0|3,0,0]=4 4013 B12R0.5 C=CCNCCCC#CCCCC 2230a_100020586998_200000047210 [0,1,0,0,0,0|1,0,2]=4 4014 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,1,0,0,0,0|1,0,0]=2 4015 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,1,0,0,0,0|1,0,0]=2 4016 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,1,0,0,0,0|1,0,0]=2 4017 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,1,0,0,0,0|0,0,0]=1 4018 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,1,0,0,0,0|0,0,0]=1 4019 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,1,0,0,0,0|0,0,0]=1 4020 B12R0.5 C=CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210623 [0,1,0,0,0,0|3,0,0]=4 4021 B12R0.5 C=CCNCCOCCOCCC 2230a_200011904461_100000210623 [0,1,0,0,0,0|3,0,0]=4 4022 B12R0.5 C=CCNCCOCCOCCC 34a_200011904461_100015514636 [0,1,0,0,0,0|3,0,0]=4 4023 B12R0.5 C=CCNCCOCCOCCO 2230a_100011998139_100000210623 [0,1,0,0,0,0|2,0,0]=3 4024 B12R0.5 C=CCNCCOCCOCCO 2230a_100020586998_100000032323 [0,1,0,0,0,0|2,0,0]=3 4025 B12R0.5 C=CCNCCOCCOCCO 34a_100011998139_100015514636 [0,1,0,0,0,0|2,0,0]=3 4026 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 4027 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 4028 B12R0.5 C=CCOCC#CCCCCCC 34a_200000037284_100015514636 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.5 C=CCOCC#CCCCCCC 7a_200000037284_100015514636 [0,1,0,0,0,0|1,0,2]=4 4030 B12R0.5 C=CCOCC/C=C\CCCCC 34a_100016277358_100015514636 [0,1,0,0,0,0|1,0,2]=4 4031 B12R0.5 C=CCOCC/C=C\CCCCC 7a_100016277358_100015514636 [0,1,0,0,0,0|1,0,2]=4 4032 B12R0.5 C=CCOCCC#CCCCCC 34a_200000042877_100015514636 [0,1,0,0,0,0|1,0,2]=4 4033 B12R0.5 C=CCOCCC#CCCCCC 7a_200000042877_100015514636 [0,1,0,0,0,0|1,0,2]=4 4034 B12R0.5 C=CCOCCCC#CCCCC 34a_200000210373_200000047210 [0,1,0,0,0,0|1,0,2]=4 4035 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 4036 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 4037 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,1,0,0,0,0|1,0,0]=2 4038 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,1,0,0,0,0|1,0,0]=2 4039 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,0,0,0,0|1,0,0]=2 4040 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,0,0,0,0|1,0,0]=2 4041 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,0,0,0,0|1,0,0]=2 4042 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,1,0,0,0,0|1,0,0]=2 4043 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,1,0,0,0,0|1,0,0]=2 4044 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,1,0,0,0,0|1,0,0]=2 4045 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,1,0,0,0,0|0,0,0]=1 4046 B12R0.5 C=CCOCCCCCNCCN 34a_103619048469_100015514636 [0,1,0,0,0,0|2,0,0]=3 4047 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,1,0,0,0,0|2,0,0]=3 4048 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,1,0,0,0,0|2,0,0]=3 4049 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,1,0,0,0,0|2,0,0]=3 4050 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,1,0,0,0,0|2,0,0]=3 4051 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,1,0,0,0,0|2,0,0]=3 4052 B12R0.5 C=CCOCCOCCCCC#N 7a_100000037705_100000211819 [0,1,0,0,0,0|2,0,1]=4 4053 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [0,1,0,0,0,0|1,0,2]=4 4054 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,1,0,0,0,0|2,0,0]=3 4055 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,1,0,0,0,0|2,0,0]=3 4056 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,1,0,0,0,0|2,0,0]=3 4057 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,1,0,0,0,0|2,0,0]=3 4058 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,1,0,0,0,0|2,0,0]=3 4059 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,1,0,0,0,0|2,0,0]=3 4060 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,1,0,0,0,0|1,0,0]=2 4061 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,1,0,0,0,0|1,0,0]=2 4062 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,1,0,0,0,0|2,0,0]=3 4063 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,1,0,0,0,0|2,0,0]=3 4064 B12R0.5 C=CCOCCOCCCOCC 34a_100000037705_100012232248 [0,1,0,0,0,0|3,0,0]=4 4065 B12R0.5 C=CCOCCOCCCOCC 7a_100000037705_100012232248 [0,1,0,0,0,0|3,0,0]=4 4066 B12R0.5 C=CCOCCOCCOCCBr 34a_100010132937_100015514636 [0,1,0,0,0,0|3,0,0]=4 4067 B12R0.5 C=CCOCCOCCOCCBr 7a_100010132937_100015514636 [0,1,0,0,0,0|3,0,0]=4 4068 B12R0.5 C=CCOCCOCCOCCC 34a_100000037705_100011215938 [0,1,0,0,0,0|3,0,0]=4 4069 B12R0.5 C=CCOCCOCCOCCC 34a_100000065479_100000210303 [0,1,0,0,0,0|3,0,0]=4 4070 B12R0.5 C=CCOCCOCCOCCC 7a_100000037705_100011215938 [0,1,0,0,0,0|3,0,0]=4 4071 B12R0.5 C=CCOCCOCCOCCC 7a_100000065479_100000210303 [0,1,0,0,0,0|3,0,0]=4 4072 B12R0.5 C=CCOCCOCCOCCCl 34a_100000032323_100015514636 [0,1,0,0,0,0|3,0,0]=4 4073 B12R0.5 C=CCOCCOCCOCCCl 7a_100000032323_100015514636 [0,1,0,0,0,0|3,0,0]=4 4074 B12R0.5 C=CCOCCOCCOCCF 34a_100000065479_100011217306 [0,1,0,0,0,0|3,0,0]=4 4075 B12R0.5 C=CCOCCOCCOCCF 7a_100000065479_100011217306 [0,1,0,0,0,0|3,0,0]=4 4076 B12R0.5 C=CCOCCOCCOCCN 34a_100011998139_100015514636 [0,1,0,0,0,0|3,0,0]=4 4077 B12R0.5 C=CCOCCOCCOCCO 34a_100000037705_100000692535 [0,1,0,0,0,0|2,0,0]=3 4078 B12R0.5 C=CCOCCOCCOCCO 34a_100000065479_100000211926 [0,1,0,0,0,0|2,0,0]=3 4079 B12R0.5 C=CCOCCOCCOCCO 34a_200000210373_100000032323 [0,1,0,0,0,0|2,0,0]=3 4080 B12R0.5 C=CCOCCOCCOCCO 7a_100000037705_100011215305 [0,1,0,0,0,0|2,0,0]=3 4081 B12R0.5 C=CCOCCOCCOCCO 7a_100000065479_100000211926 [0,1,0,0,0,0|2,0,0]=3 4082 B12R0.5 C=CCOCCOCOCCCC 34a_100000037705_100011995733 [0,1,0,0,0,0|3,0,0]=4 4083 B12R0.5 C=CCSCCCC#CCCCC 62a_100000210623_200000047210 [0,1,0,0,0,0|1,0,2]=4 4084 B12R0.5 C=CCSCCCC#CCCCC 62a_200000047210_100000210623 [0,1,0,0,0,0|1,0,2]=4 4085 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,1,0,0,0,0|1,0,0]=2 4086 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,1,0,0,0,0|0,0,0]=1 4087 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,1,0,0,0,0|0,0,0]=1 4088 B12R0.5 C=CCSCCOCCOCCO 62a_100000032323_100000210623 [0,1,0,0,0,0|2,0,0]=3 4089 B12R0.5 C=CCSCCOCCOCCO 62a_100000210623_100000032323 [0,1,0,0,0,0|2,0,0]=3 4090 B12R0.5 C=COCCCCOCC#CCO 34a_100000031558_200000047223 [0,1,0,0,0,0|1,0,2]=4 4091 B12R0.5 C=COCCCCOCC#CCO 7a_100000031558_200000047223 [0,1,0,0,0,0|1,0,2]=4 4092 B12R0.5 C=COCCCCOCCCC#N 7a_100000031558_100000687738 [0,1,0,0,0,0|2,0,1]=4 4093 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,1,0,0,0,0|1,0,2]=4 4094 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,1,0,0,0,0|2,0,0]=3 4095 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,1,0,0,0,0|2,0,0]=3 4096 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,1,0,0,0,0|2,0,0]=3 4097 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,1,0,0,0,0|2,0,0]=3 4098 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,1,0,0,0,0|1,0,0]=2 4099 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,1,0,0,0,0|1,0,0]=2 4100 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,1,0,0,0,0|2,0,0]=3 4101 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,1,0,0,0,0|2,0,0]=3 4102 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.5 C=COCCCNCCCCC#N 2230a_100000210767_100000211819 [0,1,0,0,0,0|2,0,1]=4 4107 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,1,0,0,0,0|1,0,2]=4 4108 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,1,0,0,0,0|2,0,0]=3 4109 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,1,0,0,0,0|2,0,0]=3 4110 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,1,0,0,0,0|2,0,0]=3 4111 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,1,0,0,0,0|2,0,0]=3 4112 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,1,0,0,0,0|1,0,0]=2 4113 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,1,0,0,0,0|1,0,0]=2 4114 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,1,0,0,0,0|2,0,0]=3 4115 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,1,0,0,0,0|2,0,0]=3 4116 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,1,0,0,0,0|3,0,0]=4 4117 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,1,0,0,0,0|3,0,0]=4 4120 B12R0.5 C=COCCCNCCOCCO 2230a_100000210767_100011215305 [0,1,0,0,0,0|2,0,0]=3 4121 B12R0.5 C=COCCCNCCOCCO 34a_100000210767_100000692535 [0,1,0,0,0,0|2,0,0]=3 4122 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,1,0,0,0,0|3,0,0]=4 4123 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,1,0,0,0,0|3,0,0]=4 4124 B12R0.5 C=COCCCNCOCCOC 2230a_100000210767_100000231047 [0,1,0,0,0,0|3,0,0]=4 4125 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,1,0,0,0,0|2,0,0]=3 4126 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,1,0,0,0,0|1,0,0]=2 4127 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,1,0,0,0,0|1,0,0]=2 4128 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,1,0,0,0,0|2,0,0]=3 4129 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,1,0,0,0,0|2,0,0]=3 4130 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,1,0,0,0,0|3,0,0]=4 4131 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.5 C=COCCNCCOCCOC 2230a_100000745349_100000039644 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.5 C=COCCNCCOCCOC 34a_100000745349_100000039644 [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,1,0,0,0,0|2,0,0]=3 4136 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,1,0,0,0,0|2,0,0]=3 4137 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,1,0,0,0,0|2,0,0]=3 4138 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,1,0,0,0,0|2,0,0]=3 4139 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,1,0,0,0,0|2,0,0]=3 4140 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,1,0,0,0,0|2,0,0]=3 4141 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,1,0,0,0,0|2,0,0]=3 4142 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,1,0,0,0,0|2,0,0]=3 4143 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,1,0,0,0,0|2,0,0]=3 4144 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,1,0,0,0,0|2,0,0]=3 4145 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,1,0,0,0,0|2,0,0]=3 4146 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,1,0,0,0,0|1,0,0]=2 4147 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,1,0,0,0,0|3,0,0]=4 4148 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,1,0,0,0,0|3,0,0]=4 4149 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,1,0,0,0,0|3,0,0]=4 4150 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,1,0,0,0,0|3,0,0]=4 4151 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,1,0,0,0,0|3,0,0]=4 4152 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,1,0,0,0,0|3,0,0]=4 4153 B12R0.5 C=COCCOCCOCCCF 34a_100000039918_100011934791 [0,1,0,0,0,0|3,0,0]=4 4154 B12R0.5 C=COCCOCCOCCCF 7a_100000039918_100011934791 [0,1,0,0,0,0|3,0,0]=4 4155 B12R0.5 C=COCCOCCOCCCO 34a_100000039918_100000230001 [0,1,0,0,0,0|2,0,0]=3 4156 B12R0.5 C=COCCOCCOCCCO 7a_100000039918_100011215043 [0,1,0,0,0,0|2,0,0]=3 4157 B12R0.5 C=COCCOCCOCCOC 34a_100000033082_100000695917 [0,1,0,0,0,0|3,0,0]=4 4158 B12R0.5 C=COCCOCCOCCOC 34a_100000039918_100011201679 [0,1,0,0,0,0|3,0,0]=4 4159 B12R0.5 C=COCCOCCOCCOC 34a_100011215163_100000039644 [0,1,0,0,0,0|3,0,0]=4 4160 B12R0.5 C=COCCOCCOCCOC 7a_100000039918_100000233755 [0,1,0,0,0,0|3,0,0]=4 4161 B12R0.5 C=COCCOCCOCCOC 7a_100011215163_100000039644 [0,1,0,0,0,0|3,0,0]=4 4162 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,1,0,0,0,0|3,0,0]=4 4163 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,1,0,0,0,0|3,0,0]=4 4164 B12R0.5 C=COCCSCCCCCC#N 62a_100000039644_100009813376 [0,1,0,0,0,0|2,0,1]=4 4165 B12R0.5 C=COCCSCCCCCC#N 62a_100009813376_100000039644 [0,1,0,0,0,0|2,0,1]=4 4166 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,1,0,0,0,0|1,0,2]=4 4167 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,1,0,0,0,0|1,0,2]=4 4168 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,1,0,0,0,0|2,0,0]=3 4169 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,1,0,0,0,0|2,0,0]=3 4170 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,1,0,0,0,0|2,0,0]=3 4171 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,1,0,0,0,0|2,0,0]=3 4172 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,1,0,0,0,0|1,0,0]=2 4173 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,1,0,0,0,0|1,0,0]=2 4174 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,1,0,0,0,0|3,0,0]=4 4175 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,1,0,0,0,0|3,0,0]=4 4176 B12R0.5 C=COCCSCCOCCOC 62a_100000039644_100000695917 [0,1,0,0,0,0|3,0,0]=4 4177 B12R0.5 C=COCCSCCOCCOC 62a_100000695917_100000039644 [0,1,0,0,0,0|3,0,0]=4 4178 B12R0.5 CC#CCCOCCCCCCO 34a_100000750427_100000766143 [0,1,0,0,0,0|0,0,3]=4 4179 B12R0.5 CC#CCNCCCCCCCO 2230a_100000685387_100000760002 [0,1,0,0,0,0|0,0,3]=4 4180 B12R0.5 CC#CCNCCCCCCCO 2230a_100011996573_100000748600 [0,1,0,0,0,0|0,0,3]=4 4181 B12R0.5 CC#CCNCCCCCCCO 34a_100000685387_100000760002 [0,1,0,0,0,0|0,0,3]=4 4182 B12R0.5 CC#CCNCCCCCCCO 34a_100011996573_100000748600 [0,1,0,0,0,0|0,0,3]=4 4183 B12R0.5 CC#CCOCCCCCCCO 34a_100000761923_100000760002 [0,1,0,0,0,0|0,0,3]=4 4184 B12R0.5 CC#CCSCCCCCCCO 62a_100000748600_100000760002 [0,1,0,0,0,0|0,0,3]=4 4185 B12R0.5 CC#CCSCCCCCCCO 62a_100000760002_100000748600 [0,1,0,0,0,0|0,0,3]=4 4186 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,1,0,0,0,0|1,0,2]=4 4187 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,1,0,0,0,0|1,0,2]=4 4188 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [0,1,0,0,0,0|1,0,2]=4 4189 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [0,1,0,0,0,0|1,0,2]=4 4190 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [0,1,0,0,0,0|1,0,2]=4 4191 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,1,0,0,0,0|1,0,2]=4 4192 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,1,0,0,0,0|1,0,2]=4 4193 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,1,0,0,0,0|1,0,2]=4 4194 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,1,0,0,0,0|1,0,2]=4 4195 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,1,0,0,0,0|1,0,2]=4 4196 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,1,0,0,0,0|1,0,2]=4 4197 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,1,0,0,0,0|1,0,2]=4 4198 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,1,0,0,0,0|1,0,2]=4 4199 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [0,1,0,0,0,0|1,0,2]=4 4200 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [0,1,0,0,0,0|1,0,2]=4 4201 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,1,0,0,0,0|1,0,2]=4 4202 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [0,1,0,0,0,0|1,0,2]=4 4203 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [0,1,0,0,0,0|1,0,2]=4 4204 B12R0.5 CC=C=CCCOCCCCCO 34a_100011020354_100000746330 [0,1,0,0,0,0|0,0,3]=4 4205 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,1,0,0,0,0|2,0,0]=3 4206 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,1,0,0,0,0|2,0,0]=3 4207 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,1,0,0,0,0|1,0,0]=2 4208 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,1,0,0,0,0|1,0,2]=4 4209 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,1,0,0,0,0|3,0,0]=4 4210 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,1,0,0,0,0|3,0,0]=4 4211 B12R0.5 CC=CCCCOCCOCCO 34a_100020645299_100000692535 [0,1,0,0,0,0|2,0,0]=3 4212 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,1,0,0,0,0|3,0,0]=4 4213 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,1,0,0,0,0|2,0,0]=3 4214 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,1,0,0,0,0|2,0,0]=3 4215 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,1,0,0,0,0|1,0,0]=2 4216 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,1,0,0,0,0|1,0,0]=2 4217 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,1,0,0,0,0|3,0,0]=4 4218 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,1,0,0,0,0|3,0,0]=4 4219 B12R0.5 CC=CCNCCCOCCCO 2230a_100011310245_100000070051 [0,1,0,0,0,0|2,0,0]=3 4220 B12R0.5 CC=CCNCCCOCCCO 34a_100011310245_100000070051 [0,1,0,0,0,0|2,0,0]=3 4221 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,1,0,0,0,0|2,0,0]=3 4222 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,1,0,0,0,0|2,0,0]=3 4223 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,0,0,0,0|2,0,0]=3 4224 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,0,0,0,0|2,0,0]=3 4225 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,1,0,0,0,0|2,0,0]=3 4226 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,1,0,0,0,0|1,0,2]=4 4227 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,1,0,0,0,0|1,0,2]=4 4228 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,1,0,0,0,0|3,0,0]=4 4229 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,1,0,0,0,0|3,0,0]=4 4230 B12R0.5 CC=CCOCCCOCCCN 34a_100011310245_100000070051 [0,1,0,0,0,0|3,0,0]=4 4231 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,1,0,0,0,0|3,0,0]=4 4232 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,1,0,0,0,0|3,0,0]=4 4233 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,1,0,0,0,0|3,0,0]=4 4234 B12R0.5 CC=CCSCCCCCCC#N 62a_100000070051_100009813337 [0,1,0,0,0,0|2,0,1]=4 4235 B12R0.5 CC=CCSCCCCCCC#N 62a_100009813337_100000070051 [0,1,0,0,0,0|2,0,1]=4 4236 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,1,0,0,0,0|2,0,0]=3 4237 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,1,0,0,0,0|2,0,0]=3 4238 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,1,0,0,0,0|1,0,0]=2 4239 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,1,0,0,0,0|1,0,0]=2 4240 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,1,0,0,0,0|1,0,2]=4 4241 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,1,0,0,0,0|1,0,2]=4 4242 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,1,0,0,0,0|1,0,2]=4 4243 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,1,0,0,0,0|1,0,2]=4 4244 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,1,0,0,0,0|1,0,2]=4 4245 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,1,0,0,0,0|1,0,2]=4 4246 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,1,0,0,0,0|1,0,2]=4 4247 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,1,0,0,0,0|1,0,2]=4 4248 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,1,0,0,0,0|1,0,2]=4 4249 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 4250 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,1,0,0,0,0|0,0,2]=3 4251 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 4252 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 4253 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 4254 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,1,0,0,0,0|0,1,2]=4 4255 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,1,0,0,0,0|0,1,2]=4 4256 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,1,0,0,0,0|1,0,2]=4 4257 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,1,0,0,0,0|1,0,2]=4 4258 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,1,0,0,0,0|1,0,2]=4 4259 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,1,0,0,0,0|1,0,2]=4 4260 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,1,0,0,0,0|1,0,2]=4 4261 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,1,0,0,0,0|1,0,2]=4 4262 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,1,0,0,0,0|1,0,2]=4 4263 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,1,0,0,0,0|1,0,2]=4 4264 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,1,0,0,0,0|1,0,2]=4 4265 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,1,0,0,0,0|1,0,2]=4 4266 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,1,0,0,0,0|1,0,2]=4 4267 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,1,0,0,0,0|2,0,1]=4 4268 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,0,0,0,0|2,0,0]=3 4269 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,0,0,0,0|2,0,0]=3 4270 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,1,0,0,0,0|1,0,2]=4 4271 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,1,0,0,0,0|1,0,2]=4 4272 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,1,0,0,0,0|1,0,2]=4 4273 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,1,0,0,0,0|1,0,2]=4 4274 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,1,0,0,0,0|1,0,2]=4 4275 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 4276 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,1,0,0,0,0|0,0,2]=3 4277 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 4278 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,1,0,0,0,0|0,0,2]=3 4279 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,1,0,0,0,0|1,0,2]=4 4280 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,1,0,0,0,0|2,0,1]=4 4281 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,1,0,0,0,0|2,0,1]=4 4282 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,1,0,0,0,0|2,0,1]=4 4283 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,0,0,0,0|2,0,0]=3 4284 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,1,0,0,0,0|1,0,2]=4 4286 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,1,0,0,0,0|1,0,2]=4 4287 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,1,0,0,0,0|1,0,2]=4 4288 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,1,0,0,0,0|1,0,2]=4 4289 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,1,0,0,0,0|1,0,2]=4 4290 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,1,0,0,0,0|1,0,2]=4 4291 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,1,0,0,0,0|1,0,2]=4 4292 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 4293 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 4294 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,1,0,0,0,0|2,0,1]=4 4295 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,1,0,0,0,0|2,0,1]=4 4296 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,0,0,0,0|2,0,0]=3 4297 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,1,0,0,0,0|1,0,2]=4 4298 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,1,0,0,0,0|1,0,2]=4 4299 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,1,0,0,0,0|0,0,2]=3 4300 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,1,0,0,0,0|1,0,2]=4 4301 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,1,0,0,0,0|2,0,1]=4 4302 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,1,0,0,0,0|2,0,1]=4 4303 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,1,0,0,0,0|1,0,2]=4 4304 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,1,0,0,0,0|1,0,2]=4 4305 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,1,0,0,0,0|1,0,2]=4 4306 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,1,0,0,0,0|1,0,2]=4 4307 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,1,0,0,0,0|1,0,2]=4 4308 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,1,0,0,0,0|1,0,2]=4 4309 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,1,0,0,0,0|1,0,2]=4 4310 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,1,0,0,0,0|1,0,2]=4 4311 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 4312 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 4313 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,1,0,0,0,0|1,0,2]=4 4314 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,1,0,0,0,0|1,0,2]=4 4315 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,1,0,0,0,0|1,0,2]=4 4316 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,1,0,0,0,0|2,0,1]=4 4317 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,1,0,0,0,0|2,0,1]=4 4318 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,1,0,0,0,0|2,0,1]=4 4319 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,1,0,0,0,0|2,0,1]=4 4320 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,1,0,0,0,0|1,0,2]=4 4321 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,1,0,0,0,0|1,0,2]=4 4322 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,1,0,0,0,0|1,0,2]=4 4323 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,1,0,0,0,0|1,0,2]=4 4324 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,1,0,0,0,0|1,0,2]=4 4325 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,1,0,0,0,0|1,0,2]=4 4326 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,1,0,0,0,0|1,0,2]=4 4327 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,1,0,0,0,0|1,0,2]=4 4328 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,1,0,0,0,0|1,0,2]=4 4329 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,1,0,0,0,0|1,0,2]=4 4330 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,1,0,0,0,0|0,0,2]=3 4331 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,1,0,0,0,0|0,0,2]=3 4332 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,1,0,0,0,0|1,0,2]=4 4333 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,1,0,0,0,0|1,0,2]=4 4334 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,1,0,0,0,0|1,0,2]=4 4335 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,1,0,0,0,0|1,0,2]=4 4336 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,1,0,0,0,0|2,0,1]=4 4337 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,1,0,0,0,0|2,0,1]=4 4338 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,1,0,0,0,0|2,0,1]=4 4339 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,1,0,0,0,0|2,0,1]=4 4340 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,1,0,0,0,0|2,0,1]=4 4341 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,1,0,0,0,0|2,0,1]=4 4342 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,1,0,0,0,0|1,0,2]=4 4343 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,1,0,0,0,0|1,0,2]=4 4344 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,1,0,0,0,0|1,0,2]=4 4345 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,1,0,0,0,0|1,0,2]=4 4346 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,1,0,0,0,0|0,0,2]=3 4347 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,1,0,0,0,0|0,0,2]=3 4348 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,1,0,0,0,0|1,0,2]=4 4349 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,1,0,0,0,0|1,0,2]=4 4350 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,1,0,0,0,0|2,0,1]=4 4351 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,1,0,0,0,0|2,0,1]=4 4352 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,1,0,0,0,0|2,0,1]=4 4353 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,1,0,0,0,0|2,0,0]=3 4354 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,1,0,0,0,0|1,0,2]=4 4355 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,1,0,0,0,0|1,0,2]=4 4356 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,1,0,0,0,0|1,0,2]=4 4357 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,1,0,0,0,0|0,0,2]=3 4358 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,1,0,0,0,0|0,0,2]=3 4359 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,1,0,0,0,0|0,0,2]=3 4360 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,1,0,0,0,0|1,0,2]=4 4361 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,1,0,0,0,0|1,0,2]=4 4362 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,1,0,0,0,0|2,0,1]=4 4363 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,1,0,0,0,0|2,0,1]=4 4364 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,1,0,0,0,0|2,0,0]=3 4365 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,1,0,0,0,0|1,0,2]=4 4366 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,1,0,0,0,0|1,0,2]=4 4367 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,1,0,0,0,0|1,0,2]=4 4368 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,1,0,0,0,0|1,0,2]=4 4369 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,1,0,0,0,0|1,0,2]=4 4370 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,1,0,0,0,0|1,0,2]=4 4371 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,1,0,0,0,0|1,0,2]=4 4372 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,1,0,0,0,0|1,0,2]=4 4373 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,1,0,0,0,0|1,0,2]=4 4374 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,1,0,0,0,0|1,0,2]=4 4375 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,1,0,0,0,0|1,0,2]=4 4376 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,1,0,0,0,0|1,0,2]=4 4377 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,1,0,0,0,0|1,0,2]=4 4378 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,1,0,0,0,0|0,0,2]=3 4379 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,1,0,0,0,0|0,0,2]=3 4380 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,1,0,0,0,0|2,0,1]=4 4381 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,1,0,0,0,0|1,0,2]=4 4382 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,1,0,0,0,0|1,0,2]=4 4383 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,1,0,0,0,0|1,0,2]=4 4384 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,1,0,0,0,0|2,0,1]=4 4385 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,1,0,0,0,0|2,0,1]=4 4386 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,1,0,0,0,0|2,0,1]=4 4387 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,1,0,0,0,0|2,0,1]=4 4388 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,1,0,0,0,0|2,0,0]=3 4389 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,1,0,0,0,0|2,0,0]=3 4390 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,1,0,0,0,0|1,0,2]=4 4391 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,1,0,0,0,0|1,0,2]=4 4392 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,1,0,0,0,0|1,0,2]=4 4393 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,1,0,0,0,0|1,0,2]=4 4394 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,1,0,0,0,0|0,0,2]=3 4395 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,1,0,0,0,0|0,0,2]=3 4396 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,1,0,0,0,0|1,0,2]=4 4397 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,1,0,0,0,0|1,0,2]=4 4398 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,1,0,0,0,0|2,0,1]=4 4399 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,1,0,0,0,0|2,0,0]=3 4400 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,1,0,0,0,0|1,0,2]=4 4401 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,1,0,0,0,0|1,0,2]=4 4402 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,1,0,0,0,0|0,0,2]=3 4403 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 4404 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 4405 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,1,0,0,0,0|1,0,2]=4 4406 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,1,0,0,0,0|1,0,2]=4 4407 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,1,0,0,0,0|1,0,2]=4 4408 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,1,0,0,0,0|1,0,2]=4 4409 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,1,0,0,0,0|1,0,2]=4 4410 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,1,0,0,0,0|2,0,1]=4 4411 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,1,0,0,0,0|2,0,0]=3 4412 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,1,0,0,0,0|1,0,2]=4 4413 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,1,0,0,0,0|1,0,2]=4 4414 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,1,0,0,0,0|1,0,2]=4 4415 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,1,0,0,0,0|1,0,2]=4 4416 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,1,0,0,0,0|1,0,2]=4 4417 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,1,0,0,0,0|1,0,2]=4 4418 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,1,0,0,0,0|1,0,2]=4 4419 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,1,0,0,0,0|1,0,2]=4 4420 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,1,0,0,0,0|1,0,2]=4 4421 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,1,0,0,0,0|1,0,2]=4 4422 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,1,0,0,0,0|1,0,2]=4 4423 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 4424 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 4425 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,1,0,0,0,0|1,0,2]=4 4426 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,1,0,0,0,0|1,0,2]=4 4427 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,1,0,0,0,0|1,0,2]=4 4428 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,1,0,0,0,0|2,0,1]=4 4429 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,1,0,0,0,0|2,0,1]=4 4430 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,1,0,0,0,0|3,0,0]=4 4431 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,1,0,0,0,0|3,0,0]=4 4432 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,1,0,0,0,0|1,0,2]=4 4433 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,1,0,0,0,0|1,0,2]=4 4434 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,1,0,0,0,0|1,0,2]=4 4435 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,1,0,0,0,0|1,0,2]=4 4436 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,1,0,0,0,0|2,0,1]=4 4437 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,1,0,0,0,0|2,0,1]=4 4438 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,1,0,0,0,0|2,0,0]=3 4439 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,1,0,0,0,0|1,0,2]=4 4441 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,1,0,0,0,0|1,0,2]=4 4442 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,1,0,0,0,0|1,0,2]=4 4443 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,1,0,0,0,0|0,0,2]=3 4444 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,1,0,0,0,0|0,0,2]=3 4445 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,1,0,0,0,0|1,0,2]=4 4446 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,1,0,0,0,0|1,0,2]=4 4447 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,1,0,0,0,0|1,0,2]=4 4448 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,1,0,0,0,0|1,0,2]=4 4449 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,1,0,0,0,0|2,0,1]=4 4450 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,1,0,0,0,0|2,0,0]=3 4451 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,1,0,0,0,0|1,0,2]=4 4452 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,1,0,0,0,0|0,0,2]=3 4453 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,1,0,0,0,0|0,0,2]=3 4454 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,1,0,0,0,0|0,0,2]=3 4455 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,1,0,0,0,0|1,0,2]=4 4456 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,1,0,0,0,0|1,0,2]=4 4457 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,1,0,0,0,0|1,0,2]=4 4458 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,1,0,0,0,0|2,0,1]=4 4459 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,1,0,0,0,0|2,0,0]=3 4460 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,1,0,0,0,0|1,0,2]=4 4461 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,1,0,0,0,0|1,0,2]=4 4462 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,1,0,0,0,0|1,0,2]=4 4463 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,1,0,0,0,0|1,0,2]=4 4464 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,1,0,0,0,0|1,0,2]=4 4465 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,1,0,0,0,0|1,0,2]=4 4466 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,1,0,0,0,0|1,0,2]=4 4467 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,1,0,0,0,0|1,0,2]=4 4468 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,1,0,0,0,0|1,0,2]=4 4469 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 4470 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 4471 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,1,0,0,0,0|2,0,1]=4 4472 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,1,0,0,0,0|1,0,2]=4 4473 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,1,0,0,0,0|1,0,2]=4 4474 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,1,0,0,0,0|2,0,1]=4 4475 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,1,0,0,0,0|2,0,1]=4 4476 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,1,0,0,0,0|2,0,0]=3 4477 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,1,0,0,0,0|2,0,0]=3 4478 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,1,0,0,0,0|1,0,2]=4 4479 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,1,0,0,0,0|1,0,2]=4 4480 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,1,0,0,0,0|0,0,2]=3 4481 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,1,0,0,0,0|0,0,2]=3 4482 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,1,0,0,0,0|2,0,1]=4 4483 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,1,0,0,0,0|2,0,1]=4 4484 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,1,0,0,0,0|0,0,2]=3 4485 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,1,0,0,0,0|0,0,2]=3 4486 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,1,0,0,0,0|0,0,2]=3 4487 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,1,0,0,0,0|0,0,2]=3 4488 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,1,0,0,0,0|1,0,2]=4 4489 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,1,0,0,0,0|1,0,2]=4 4490 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,1,0,0,0,0|3,0,0]=4 4491 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,1,0,0,0,0|1,0,2]=4 4492 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,1,0,0,0,0|1,0,2]=4 4493 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,1,0,0,0,0|1,0,2]=4 4494 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,1,0,0,0,0|2,0,1]=4 4495 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,1,0,0,0,0|1,0,2]=4 4496 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,1,0,0,0,0|1,0,2]=4 4497 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,1,0,0,0,0|1,0,2]=4 4498 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 4499 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 4500 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,1,0,0,0,0|1,0,2]=4 4501 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,1,0,0,0,0|1,0,2]=4 4502 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,1,0,0,0,0|1,0,2]=4 4503 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,1,0,0,0,0|1,0,2]=4 4504 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,1,0,0,0,0|3,0,0]=4 4505 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,1,0,0,0,0|3,0,0]=4 4506 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,1,0,0,0,0|1,0,2]=4 4507 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,1,0,0,0,0|1,0,2]=4 4508 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 4509 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 4510 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,1,0,0,0,0|1,0,2]=4 4511 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,1,0,0,0,0|1,0,2]=4 4512 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 4513 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 4514 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,1,0,0,0,0|3,0,0]=4 4515 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,1,0,0,0,0|1,0,2]=4 4516 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,1,0,0,0,0|1,0,2]=4 4517 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,1,0,0,0,0|3,0,0]=4 4518 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,1,0,0,0,0|1,0,2]=4 4520 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,1,0,0,0,0|1,0,2]=4 4521 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 4523 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,1,0,0,0,0|3,0,0]=4 4524 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,1,0,0,0,0|3,0,0]=4 4525 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,1,0,0,0,0|1,0,2]=4 4526 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,1,0,0,0,0|1,0,2]=4 4527 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,1,0,0,0,0|2,0,1]=4 4528 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,1,0,0,0,0|2,0,1]=4 4529 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,1,0,0,0,0|0,0,2]=3 4530 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,1,0,0,0,0|0,0,2]=3 4531 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,1,0,0,0,0|1,0,2]=4 4532 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,1,0,0,0,0|1,0,2]=4 4533 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,1,0,0,0,0|1,0,2]=4 4535 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,1,0,0,0,0|3,0,0]=4 4536 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,1,0,0,0,0|1,0,2]=4 4537 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,1,0,0,0,0|1,0,2]=4 4538 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 4539 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 4540 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,1,0,0,0,0|1,0,2]=4 4541 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,1,0,0,0,0|1,0,2]=4 4542 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,1,0,0,0,0|1,0,2]=4 4543 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,1,0,0,0,0|1,0,2]=4 4544 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,1,0,0,0,0|1,0,2]=4 4545 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,1,0,0,0,0|0,0,2]=3 4546 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,1,0,0,0,0|3,0,0]=4 4547 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,1,0,0,0,0|1,0,2]=4 4548 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,1,0,0,0,0|1,0,2]=4 4549 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,1,0,0,0,0|3,0,0]=4 4550 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 4551 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 4553 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,1,0,0,0,0|3,0,0]=4 4555 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 4556 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 4557 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,1,0,0,0,0|3,0,0]=4 4558 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,1,0,0,0,0|3,0,0]=4 4559 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,1,0,0,0,0|1,0,2]=4 4560 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,1,0,0,0,0|1,0,2]=4 4561 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,1,0,0,0,0|0,0,2]=3 4562 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,1,0,0,0,0|0,0,2]=3 4563 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,1,0,0,0,0|3,0,0]=4 4564 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,1,0,0,0,0|1,0,2]=4 4565 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,1,0,0,0,0|3,0,0]=4 4566 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 4567 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 4568 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 4569 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,1,0,0,0,0|0,0,2]=3 4570 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 4571 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,1,0,0,0,0|1,0,2]=4 4572 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,1,0,0,0,0|1,0,2]=4 4573 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,1,0,0,0,0|1,0,2]=4 4574 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,1,0,0,0,0|1,0,2]=4 4575 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,1,0,0,0,0|1,0,2]=4 4576 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,1,0,0,0,0|0,0,2]=3 4577 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,1,0,0,0,0|3,0,0]=4 4578 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 4579 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 4580 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 4581 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 4582 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,1,0,0,0,0|3,0,0]=4 4583 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 4584 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 4585 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,1,0,0,0,0|3,0,0]=4 4586 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,1,0,0,0,0|3,0,0]=4 4587 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,1,0,0,0,0|1,0,2]=4 4588 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,1,0,0,0,0|1,0,2]=4 4589 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,1,0,0,0,0|3,0,0]=4 4590 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,1,0,0,0,0|1,0,2]=4 4591 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 4592 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,1,0,0,0,0|1,0,2]=4 4593 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 4594 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,0,0,0,0|3,0,0]=4 4595 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 4596 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 4597 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,1,0,0,0,0|3,0,0]=4 4598 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,1,0,0,0,0|3,0,0]=4 4599 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,1,0,0,0,0|1,0,2]=4 4600 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,1,0,0,0,0|1,0,2]=4 4601 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,1,0,0,0,0|1,0,2]=4 4602 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,1,0,0,0,0|1,0,2]=4 4603 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,1,0,0,0,0|0,0,2]=3 4604 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,1,0,0,0,0|0,0,2]=3 4605 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,1,0,0,0,0|3,0,0]=4 4606 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 4607 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 4608 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,1,0,0,0,0|3,0,0]=4 4609 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,1,0,0,0,0|1,0,2]=4 4610 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 4611 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 4612 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,1,0,0,0,0|3,0,0]=4 4613 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 4614 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 4615 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,1,0,0,0,0|3,0,0]=4 4616 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,1,0,0,0,0|3,0,0]=4 4617 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,1,0,0,0,0|1,0,2]=4 4618 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,1,0,0,0,0|1,0,2]=4 4619 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 4620 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 4621 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 4622 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,1,0,0,0,0|0,0,2]=3 4623 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 4624 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,1,0,0,0,0|2,0,1]=4 4625 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,1,0,0,0,0|1,0,1]=3 4626 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,1,0,0,0,0|2,0,1]=4 4627 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,1,0,0,0,0|2,0,1]=4 4628 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,1,0,0,0,0|1,0,1]=3 4629 B12R0.5 CNCCOCCOCCCCO 34a_100000228057_100011216708 [0,1,0,0,0,0|2,0,1]=4 4630 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,1,0,0,0,0|1,0,1]=3 4631 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,1,0,0,0,0|1,0,1]=3 4632 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,1,0,0,0,0|1,0,1]=3 4633 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,1,0,0,0,0|1,0,1]=3 4634 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,1,0,0,0,0|1,0,1]=3 4635 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,1,0,0,0,0|0,0,2]=3 4636 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,1,0,0,0,0|2,0,1]=4 4637 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,1,0,0,0,0|2,0,1]=4 4638 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,1,0,0,0,0|2,0,1]=4 4639 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,1,0,0,0,0|2,0,1]=4 4640 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,1,0,0,0,0|2,0,1]=4 4641 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,1,0,0,0,0|2,0,1]=4 4642 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,1,0,0,0,0|2,0,1]=4 4643 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,1,0,0,0,0|2,0,1]=4 4644 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,1,0,0,0,0|2,0,1]=4 4645 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,1,0,0,0,0|2,0,1]=4 4646 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,1,0,0,0,0|2,0,1]=4 4647 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,1,0,0,0,0|1,0,1]=3 4648 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,1,0,0,0,0|1,0,1]=3 4649 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,1,0,0,0,0|2,0,1]=4 4650 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,1,0,0,0,0|2,0,1]=4 4651 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,1,0,0,0,0|2,0,1]=4 4652 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,1,0,0,0,0|2,0,1]=4 4653 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,1,0,0,0,0|2,0,1]=4 4654 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,1,0,0,0,0|2,0,1]=4 4658 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,1,0,0,0,0|2,0,1]=4 4659 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,1,0,0,0,0|2,0,1]=4 4660 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,1,0,0,0,0|2,0,1]=4 4661 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,1,0,0,0,0|1,0,1]=3 4662 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,1,0,0,0,0|1,0,1]=3 4663 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,1,0,0,0,0|2,0,1]=4 4664 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,1,0,0,0,0|2,0,1]=4 4665 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,1,0,0,0,0|2,0,1]=4 4666 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,1,0,0,0,0|2,0,1]=4 4667 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,1,0,0,0,0|2,0,1]=4 4668 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,1,0,0,0,0|2,0,0]=3 4669 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,1,0,0,0,0|2,0,1]=4 4670 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,1,0,0,0,0|2,0,1]=4 4671 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,1,0,0,0,0|1,0,1]=3 4672 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,1,0,0,0,0|1,0,1]=3 4673 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,1,0,0,0,0|2,0,1]=4 4674 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,1,0,0,0,0|2,0,1]=4 4675 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,1,0,0,0,0|1,0,1]=3 4676 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,1,0,0,0,0|1,0,1]=3 4677 B12R0.5 COCCCCNCCOCCO 2230a_100000211614_100000730899 [0,1,0,0,0,0|2,0,1]=4 4678 B12R0.5 COCCCCNCCOCCO 34a_100000211614_100000755781 [0,1,0,0,0,0|2,0,1]=4 4679 B12R0.5 COCCCCNCCSCCO 2230a_100011219999_100000730899 [0,1,0,0,0,0|2,0,1]=4 4680 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,1,0,0,0,0|2,0,1]=4 4681 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,1,0,0,0,0|2,0,1]=4 4682 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,1,0,0,0,0|2,0,1]=4 4683 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,1,0,0,0,0|2,0,1]=4 4684 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,1,0,0,0,0|2,0,1]=4 4686 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,1,0,0,0,0|2,0,1]=4 4687 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,1,0,0,0,0|2,0,1]=4 4688 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,1,0,0,0,0|1,0,1]=3 4689 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,1,0,0,0,0|2,0,1]=4 4690 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,1,0,0,0,0|2,0,1]=4 4691 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,1,0,0,0,0|2,0,1]=4 4692 B12R0.5 COCCCCOCCOCCO 34a_100000740925_100000692535 [0,1,0,0,0,0|2,0,1]=4 4693 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,1,0,0,0,0|2,0,1]=4 4694 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,1,0,0,0,0|2,0,1]=4 4695 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,1,0,0,0,0|2,0,0]=3 4696 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,1,0,0,0,0|2,0,0]=3 4697 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,1,0,0,0,0|2,0,1]=4 4698 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,1,0,0,0,0|2,0,1]=4 4699 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,1,0,0,0,0|1,0,1]=3 4700 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,1,0,0,0,0|1,0,1]=3 4701 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,1,0,0,0,0|2,0,1]=4 4702 B12R0.5 COCCCCSCCOCCO 62a_100000730899_100011215305 [0,1,0,0,0,0|2,0,1]=4 4703 B12R0.5 COCCCCSCCOCCO 62a_100011215305_100000730899 [0,1,0,0,0,0|2,0,1]=4 4704 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,1,0,0,0,0|2,0,1]=4 4705 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,1,0,0,0,0|1,0,1]=3 4706 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,1,0,0,0,0|1,0,1]=3 4707 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,1,0,0,0,0|1,0,1]=3 4708 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,1,0,0,0,0|2,0,1]=4 4709 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,1,0,0,0,0|2,0,1]=4 4711 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,1,0,0,0,0|2,0,1]=4 4712 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,1,0,0,0,0|2,0,1]=4 4713 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,1,0,0,0,0|2,0,1]=4 4714 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,1,0,0,0,0|2,0,1]=4 4715 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,1,0,0,0,0|2,0,1]=4 4716 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,1,0,0,0,0|1,0,1]=3 4717 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,1,0,0,0,0|3,0,0]=4 4718 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,1,0,0,0,0|3,0,0]=4 4719 B12R0.5 COCCCOCCCOCCO 34a_200011215475_100000211926 [0,1,0,0,0,0|2,0,1]=4 4720 B12R0.5 COCCCOCCCOCCO 7a_200011215475_100000211926 [0,1,0,0,0,0|2,0,1]=4 4721 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,1,0,0,0,0|2,0,1]=4 4722 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,1,0,0,0,0|2,0,1]=4 4723 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,1,0,0,0,0|2,0,0]=3 4724 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,1,0,0,0,0|2,0,0]=3 4725 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,1,0,0,0,0|2,0,1]=4 4726 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,1,0,0,0,0|2,0,1]=4 4727 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,1,0,0,0,0|1,0,1]=3 4728 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,1,0,0,0,0|1,0,1]=3 4729 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,1,0,0,0,0|2,0,1]=4 4730 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,1,0,0,0,0|1,0,1]=3 4731 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,1,0,0,0,0|1,0,1]=3 4732 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,1,0,0,0,0|1,0,1]=3 4733 B12R0.5 COCCNCCCOCCCO 2230a_100011310245_100011201679 [0,1,0,0,0,0|2,0,1]=4 4734 B12R0.5 COCCNCCCOCCCO 34a_100011310245_100011201679 [0,1,0,0,0,0|2,0,1]=4 4735 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,1,0,0,0,0|2,0,1]=4 4736 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,1,0,0,0,0|2,0,1]=4 4737 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,1,0,0,0,0|1,0,1]=3 4739 B12R0.5 COCCOCCCNCCCO 2230a_100000206027_100000230001 [0,1,0,0,0,0|2,0,1]=4 4740 B12R0.5 COCCOCCCNCCCO 34a_100000206027_100000230001 [0,1,0,0,0,0|2,0,1]=4 4741 B12R0.5 COCCOCCCSCCCO 62a_100011215043_100011216529 [0,1,0,0,0,0|2,0,1]=4 4742 B12R0.5 COCCOCCCSCCCO 62a_100011216529_100011215043 [0,1,0,0,0,0|2,0,1]=4 4743 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,1,0,0,0,0|3,0,0]=4 4744 B12R0.5 COCCOCCNCCCCO 2230a_100000745349_100000210776 [0,1,0,0,0,0|2,0,1]=4 4745 B12R0.5 COCCOCCNCCCCO 2230a_100000750430_100000695917 [0,1,0,0,0,0|2,0,1]=4 4746 B12R0.5 COCCOCCNCCCCO 34a_100000745349_100011216708 [0,1,0,0,0,0|2,0,1]=4 4747 B12R0.5 COCCOCCNCCCCO 34a_100000750430_100000695917 [0,1,0,0,0,0|2,0,1]=4 4748 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,1,0,0,0,0|3,0,0]=4 4749 B12R0.5 COCCOCCOCCCCO 34a_100011215163_100011216708 [0,1,0,0,0,0|2,0,1]=4 4750 B12R0.5 COCCOCCOCCCCO 7a_100011215163_100000210776 [0,1,0,0,0,0|2,0,1]=4 4751 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,1,0,0,0,0|3,0,0]=4 4752 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,1,0,0,0,0|3,0,0]=4 4753 B12R0.5 COCCOCCSCCCCO 62a_100000210776_100000695917 [0,1,0,0,0,0|2,0,1]=4 4754 B12R0.5 COCCOCCSCCCCO 62a_100000695917_100000210776 [0,1,0,0,0,0|2,0,1]=4 4755 B12R0.5 COCCOCNCCCCCO 2230a_100000762737_100000231047 [0,1,0,0,0,0|2,0,1]=4 4756 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,1,0,0,0,0|3,0,0]=4 4757 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,1,0,0,0,0|3,0,0]=4 4758 B12R0.5 COCCOCSCCCCCO 62a_100000231047_100000746330 [0,1,0,0,0,0|2,0,1]=4 4759 B12R0.5 COCCOCSCCCCCO 62a_100000746330_100000231047 [0,1,0,0,0,0|2,0,1]=4 4760 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,1,0,0,0,0|2,0,1]=4 4761 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,1,0,0,0,0|2,0,1]=4 4762 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,1,0,0,0,0|1,0,1]=3 4763 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,1,0,0,0,0|1,0,1]=3 4764 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,1,0,0,0,0|1,0,1]=3 4765 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,1,0,0,0,0|1,0,1]=3 4766 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,1,0,0,0,0|1,0,1]=3 4767 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,1,0,0,0,0|0,0,2]=3 4768 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,1,0,0,0,0|0,0,2]=3 4769 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,1,0,0,0,0|2,1,0]=4 4770 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,1,0,0,0,0|2,0,1]=4 4771 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,1,0,0,0,0|2,0,1]=4 4772 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,1,0,0,0,0|1,0,1]=3 4773 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,1,0,0,0,0|1,0,1]=3 4774 B12R0.5 CSCCCCOCCOCCO 34a_100011217163_100000692535 [0,1,0,0,0,0|2,0,1]=4 4775 B12R0.5 CSCCCCOCCOCCO 7a_100011217163_100011215305 [0,1,0,0,0,0|2,0,1]=4 4776 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,1,0,0,0,0|2,1,0]=4 4777 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,1,0,0,0,0|2,0,1]=4 4778 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,1,0,0,0,0|1,0,1]=3 4779 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,1,0,0,0,0|2,1,0]=4 4780 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,1,0,0,0,0|2,0,1]=4 4781 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,1,0,0,0,0|2,0,1]=4 4782 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,1,0,0,0,0|1,0,1]=3 4783 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,1,0,0,0,0|1,0,1]=3 4784 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,1,0,0,0,0|1,0,1]=3 4785 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,1,0,0,0,0|1,0,1]=3 4786 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,1,0,0,0,0|1,0,1]=3 4787 B12R0.5 CSCCNCCCOCCCO 2230a_100011310245_100000751147 [0,1,0,0,0,0|2,0,1]=4 4788 B12R0.5 CSCCNCCCOCCCO 34a_100011310245_100000212216 [0,1,0,0,0,0|2,0,1]=4 4789 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,1,0,0,0,0|2,0,1]=4 4790 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,1,0,0,0,0|2,0,1]=4 4791 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,1,0,0,0,0|2,0,1]=4 4792 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,1,0,0,0,0|1,0,1]=3 4793 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,1,0,0,0,0|1,0,1]=3 4794 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,1,0,0,0,0|1,0,1]=3 4795 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,1,0,0,0,0|1,0,1]=3 4796 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,1,0,0,0,0|1,0,1]=3 4797 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,1,0,0,0,0|1,0,1]=3 4798 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,1,0,0,0,0|2,0,1]=4 4799 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,1,0,0,0,0|2,0,1]=4 4800 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,1,0,0,0,0|2,0,1]=4 4801 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,1,0,0,0,0|1,0,1]=3 4802 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,1,0,0,0,0|1,0,1]=3 4803 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,1,0,0,0,0|2,0,1]=4 4804 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,1,0,0,0,0|2,0,1]=4 4805 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,1,0,0,0,0|2,0,1]=4 4806 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,1,0,0,0,0|2,0,1]=4 4807 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,1,0,0,0,0|2,0,1]=4 4808 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,1,0,0,0,0|2,0,1]=4 4809 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,1,0,0,0,0|2,0,1]=4 4810 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,1,0,0,0,0|2,0,1]=4 4811 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,1,0,0,0,0|2,0,1]=4 4812 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,1,0,0,0,0|2,0,1]=4 4813 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,1,0,0,0,0|2,0,1]=4 4814 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,1,0,0,0,0|2,0,1]=4 4815 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,1,0,0,0,0|2,0,1]=4 4816 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,1,0,0,0,0|2,0,1]=4 4817 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,1,0,0,0,0|2,0,1]=4 4818 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,1,0,0,0,0|2,0,1]=4 4819 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,1,0,0,0,0|2,0,1]=4 4820 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,1,0,0,0,0|2,0,1]=4 4821 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,1,0,0,0,0|2,0,1]=4 4822 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,1,0,0,0,0|2,0,1]=4 4823 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,1,0,0,0,0|2,0,1]=4 4824 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,1,0,0,0,0|2,0,1]=4 4825 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,1,0,0,0,0|2,0,1]=4 4826 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 4827 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 4828 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 4829 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 4830 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 4831 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 4832 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 4833 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 4834 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,1,0,0,0,0|2,0,1]=4 4835 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,1,0,0,0,0|2,0,1]=4 4836 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,1,0,0,0,0|2,0,1]=4 4837 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,1,0,0,0,0|1,0,1]=3 4838 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,1,0,0,0,0|1,0,1]=3 4839 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,1,0,0,0,0|1,0,1]=3 4840 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,1,0,0,0,0|2,0,1]=4 4841 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,1,0,0,0,0|2,0,1]=4 4842 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,1,0,0,0,0|2,0,1]=4 4843 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,1,0,0,0,0|2,0,1]=4 4844 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,1,0,0,0,0|2,0,1]=4 4845 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,1,0,0,0,0|2,0,1]=4 4846 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,1,0,0,0,0|1,0,1]=3 4847 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,1,0,0,0,0|1,0,1]=3 4848 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,1,0,0,0,0|1,0,1]=3 4849 B12R0.5 N#CCCCCNCCOCCO 2230a_100000211614_100000211819 [0,1,0,0,0,0|2,0,1]=4 4850 B12R0.5 N#CCCCCNCCSCCO 2230a_100011219999_100000211819 [0,1,0,0,0,0|2,0,1]=4 4851 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,1,0,0,0,0|2,0,1]=4 4852 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,1,0,0,0,0|2,0,1]=4 4853 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,1,0,0,0,0|2,0,1]=4 4854 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,1,0,0,0,0|2,0,1]=4 4855 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,1,0,0,0,0|2,0,1]=4 4856 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,1,0,0,0,0|2,0,1]=4 4857 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,1,0,0,0,0|2,0,1]=4 4858 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,1,0,0,0,0|1,0,1]=3 4859 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,1,0,0,0,0|1,0,1]=3 4860 B12R0.5 N#CCCCCSCCOCCO 62a_100011215305_100000211819 [0,1,0,0,0,0|2,0,1]=4 4861 B12R0.5 N#CCCCCSCCOCCO 62a_100011219923_100011215305 [0,1,0,0,0,0|2,0,1]=4 4862 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,1,0,0,0,0|1,0,1]=3 4863 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,1,0,0,0,0|2,0,1]=4 4864 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,1,0,0,0,0|2,0,1]=4 4865 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,1,0,0,0,0|2,0,1]=4 4866 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,1,0,0,0,0|2,0,1]=4 4867 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,1,0,0,0,0|2,0,1]=4 4868 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,1,0,0,0,0|2,0,1]=4 4869 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,1,0,0,0,0|2,0,1]=4 4870 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,1,0,0,0,0|1,0,1]=3 4871 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,1,0,0,0,0|1,0,1]=3 4872 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,1,0,0,0,0|1,0,1]=3 4873 B12R0.5 N#CCCNCCCOCCCO 2230a_100011310245_100011215226 [0,1,0,0,0,0|2,0,1]=4 4874 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,1,0,0,0,0|2,0,1]=4 4875 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,1,0,0,0,0|1,0,1]=3 4876 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,1,0,0,0,0|1,0,1]=3 4877 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,1,0,0,0,0|1,0,1]=3 4878 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,1,0,0,0,0|2,0,1]=4 4879 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,1,0,0,0,0|2,0,1]=4 4880 B12R0.5 N#CCOCCNCCCCCO 2230a_100000762737_200000047693 [0,1,0,0,0,0|2,0,1]=4 4881 B12R0.5 N#CCOCCSCCCCCO 62a_100000746330_200000047693 [0,1,0,0,0,0|2,0,1]=4 4882 B12R0.5 N#CCOCCSCCCCCO 62a_200000047693_100000746330 [0,1,0,0,0,0|2,0,1]=4 4883 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,1,0,0,0,0|1,0,1]=3 4884 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,1,0,0,0,0|1,0,1]=3 4885 B12R0.5 N#CSCCSCCCCCCO 62a_100000034367_100000766143 [0,1,0,0,0,0|2,0,1]=4 4886 B12R0.5 N#CSCCSCCCCCCO 62a_100000766143_100000034367 [0,1,0,0,0,0|2,0,1]=4 4887 B12R0.5 N#CSCSCCCCCCCO 62a_100000211825_100000760002 [0,1,0,0,0,0|2,0,1]=4 4888 B12R0.5 N#CSCSCCCCCCCO 62a_100000760002_100000211825 [0,1,0,0,0,0|2,0,1]=4 4889 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,1,0,0,0,0|2,0,1]=4 4890 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,1,0,0,0,0|2,0,0]=3 4891 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|2,0,1]=4 4892 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 4893 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|2,0,1]=4 4894 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,1]=3 4895 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|2,0,1]=4 4896 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,1]=3 4897 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|2,0,1]=4 4898 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,1]=3 4899 B12R0.5 NCCCCCOCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,1]=4 4900 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|2,0,1]=4 4901 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,1]=3 4902 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,1,0,0,0,0|1,0,1]=3 4903 B12R0.5 NCCCOCCCOCCCO 34a_100011310245_100000230001 [0,1,0,0,0,0|2,0,1]=4 4904 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,1,0,0,0,0|3,0,0]=4 4905 B12R0.5 NCCNCCCCCOCCO 34a_103619048469_100000211926 [0,1,0,0,0,0|2,0,1]=4 4906 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,1,0,0,0,0|1,0,1]=3 4907 B12R0.5 NCCOCCOCCCCCO 34a_100000211614_100000746330 [0,1,0,0,0,0|2,0,1]=4 4908 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,1,0,0,0,0|2,0,0]=3 4909 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,1,0,0,0,0|1,0,0]=2 4910 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,1,0,0,0,0|2,0,0]=3 4911 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,1,0,0,0,0|2,0,0]=3 4912 B12R0.5 O=CCCCCCSCC#CCO 62a_100000139337_200000047223 [0,1,0,0,0,0|1,0,2]=4 4913 B12R0.5 O=CCCCCCSCC#CCO 62a_200000047223_100000139337 [0,1,0,0,0,0|1,0,2]=4 4914 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,1,0,0,0,0|1,0,2]=4 4915 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,1,0,0,0,0|1,0,2]=4 4916 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,1,0,0,0,0|2,0,0]=3 4917 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,1,0,0,0,0|2,0,0]=3 4918 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,1,0,0,0,0|1,0,0]=2 4919 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,1,0,0,0,0|1,0,0]=2 4920 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,1,0,0,0,0|1,0,0]=2 4921 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,1,0,0,0,0|2,0,0]=3 4922 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,1,0,0,0,0|2,0,0]=3 4923 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,1,0,0,0,0|2,0,0]=3 4924 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,1,0,0,0,0|2,0,0]=3 4925 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,1,0,0,0,0|2,0,0]=3 4926 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,1,0,0,0,0|3,0,0]=4 4927 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,1,0,0,0,0|3,0,0]=4 4928 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,1,0,0,0,0|3,0,0]=4 4929 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,1,0,0,0,0|3,0,0]=4 4930 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,1,0,0,0,0|1,0,2]=4 4931 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,1,0,0,0,0|2,0,0]=3 4932 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,1,0,0,0,0|2,0,0]=3 4933 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,1,0,0,0,0|1,0,0]=2 4934 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,1,0,0,0,0|1,0,0]=2 4935 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,1,0,0,0,0|2,0,0]=3 4936 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,1,0,0,0,0|2,0,0]=3 4937 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,1,0,0,0,0|1,0,0]=2 4938 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,1,0,0,0,0|2,0,0]=3 4939 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,1,0,0,0,0|2,0,0]=3 4940 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,1,0,0,0,0|2,0,0]=3 4941 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,1,0,0,0,0|2,0,0]=3 4942 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,1,0,0,0,0|2,0,0]=3 4943 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,1,0,0,0,0|1,0,0]=2 4944 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,1,0,0,0,0|1,0,0]=2 4945 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,1,0,0,0,0|1,0,0]=2 4946 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,0]=2 4947 B12R0.5 O=CCNCCOCCOCCO 2230a_100011998139_200015260668 [0,1,0,0,0,0|3,0,0]=4 4948 B12R0.5 O=CCNCCOCCOCCO 34a_100011998139_200009817547 [0,1,0,0,0,0|3,0,0]=4 4949 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,1,0,0,0,0|2,0,0]=3 4950 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,1,0,0,0,0|2,0,0]=3 4951 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,1,0,0,0,0|2,0,0]=3 4952 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,1,0,0,0,0|2,0,0]=3 4953 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,1,0,0,0,0|1,0,0]=2 4954 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,1,0,0,0,0|1,0,0]=2 4955 B12R0.5 O=CCSCCOCCOCCO 62a_100000032323_200015260668 [0,1,0,0,0,0|3,0,0]=4 4956 B12R0.5 O=CCSCCOCCOCCO 62a_200015260668_100000032323 [0,1,0,0,0,0|3,0,0]=4 4957 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,1,0,0,0,0|1,0,1]=3 4958 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,1,0,0,0,0|1,0,1]=3 4959 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,1,0,0,0,0|1,0,1]=3 4960 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,1,0,0,0,0|1,0,1]=3 4961 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,1,0,0,0,0|1,0,1]=3 4962 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|1,0,1]=3 4963 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,1,0,0,0,0|1,0,1]=3 4964 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 4965 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,1,0,0,0,0|1,0,1]=3 4966 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 4967 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,1,0,0,0,0|1,0,1]=3 4968 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,1,0,0,0,0|1,0,1]=3 4969 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,1,0,0,0,0|1,0,1]=3 4970 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 4971 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,1,0,0,0,0|1,0,1]=3 4972 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,1,0,0,0,0|1,0,1]=3 4973 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,1,0,0,0,0|1,0,1]=3 4974 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|1,0,1]=3 4975 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,1,0,0,0,0|1,0,1]=3 4976 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,1,0,0,0,0|1,0,1]=3 4977 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,1]=3 4978 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,1,0,0,0,0|1,0,1]=3 4979 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,1,0,0,0,0|1,0,1]=3 4980 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,1,0,0,0,0|1,0,1]=3 4981 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,1,0,0,0,0|1,0,1]=3 4982 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,1,0,0,0,0|1,0,1]=3 4983 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,1,0,0,0,0|1,0,1]=3 4984 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,1,0,0,0,0|1,0,1]=3 4985 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,1,0,0,0,0|1,0,1]=3 4986 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|1,0,1]=3 4987 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,1,0,0,0,0|1,0,1]=3 4988 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,1,0,0,0,0|1,0,1]=3 4989 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,1]=3 4990 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,1]=3 4991 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,1,0,0,0,0|1,0,1]=3 4992 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,1,0,0,0,0|1,0,1]=3 4993 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,1,0,0,0,0|1,0,1]=3 4994 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,1,0,0,0,0|1,0,1]=3 4995 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,1,0,0,0,0|1,0,1]=3 4996 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,1,0,0,0,0|1,0,1]=3 4997 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,1,0,0,0,0|1,0,1]=3 4998 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,1,0,0,0,0|1,0,1]=3 4999 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,1,0,0,0,0|1,0,1]=3 5000 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,1,0,0,0,0|1,0,1]=3 5001 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,1,0,0,0,0|1,0,1]=3 5002 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|1,0,1]=3 5003 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,1,0,0,0,0|1,0,1]=3 5004 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,1]=3 5005 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [0,1,0,0,0,0|2,0,1]=4 5006 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [0,1,0,0,0,0|2,0,1]=4 5007 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [0,1,0,0,0,0|2,0,1]=4 5010 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,1,0,0,0,0|1,0,1]=3 5011 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,1,0,0,0,0|1,0,1]=3 5012 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,1,0,0,0,0|1,0,1]=3 5013 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,1,0,0,0,0|1,0,1]=3 5014 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,1,0,0,0,0|1,0,1]=3 5015 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,1,0,0,0,0|1,0,1]=3 5016 B12R0.5 OCCCCCOCCOCCBr 34a_100000692535_100000746330 [0,1,0,0,0,0|2,0,1]=4 5017 B12R0.5 OCCCCCOCCOCCBr 7a_100000692535_100000746330 [0,1,0,0,0,0|2,0,1]=4 5018 B12R0.5 OCCCCCOCCOCCCl 34a_100011215305_100000746330 [0,1,0,0,0,0|2,0,1]=4 5019 B12R0.5 OCCCCCOCCOCCCl 7a_100011215305_100000746330 [0,1,0,0,0,0|2,0,1]=4 5020 B12R0.5 OCCCCCOCCOCCF 34a_200015357709_100000746330 [0,1,0,0,0,0|2,0,1]=4 5021 B12R0.5 OCCCCCOCCOCCF 7a_200015357709_100000746330 [0,1,0,0,0,0|2,0,1]=4 5022 B12R0.5 OCCCCCOCCOCCI 34a_100012149058_100000746330 [0,1,0,0,0,0|2,0,1]=4 5023 B12R0.5 OCCCCCOCCOCCI 7a_100012149058_100000746330 [0,1,0,0,0,0|2,0,1]=4 5024 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,1,0,0,0,0|1,0,1]=3 5025 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,1,0,0,0,0|1,0,1]=3 5026 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,1,0,0,0,0|1,0,1]=3 5027 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [0,1,0,0,0,0|2,0,1]=4 5028 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [0,1,0,0,0,0|2,0,1]=4 5029 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,1,0,0,0,0|1,0,1]=3 5030 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|1,0,1]=3 5031 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,1,0,0,0,0|1,0,1]=3 5032 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,1,0,0,0,0|1,0,1]=3 5033 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,1,0,0,0,0|1,0,1]=3 5034 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,1,0,0,0,0|1,0,1]=3 5035 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,1,0,0,0,0|1,0,1]=3 5036 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,1,0,0,0,0|1,0,1]=3 5037 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,1,0,0,0,0|1,0,1]=3 5038 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,1,0,0,0,0|1,0,1]=3 5039 B12R0.5 OCCCNCCCOCCCO 2230a_100011310245_100000230001 [0,1,0,0,0,0|2,0,1]=4 5040 B12R0.5 OCCCNCCCOCCCO 34a_100011310245_100000230001 [0,1,0,0,0,0|2,0,1]=4 5041 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,1,0,0,0,0|1,0,1]=3 5042 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,1,0,0,0,0|1,0,1]=3 5043 B12R0.5 OCCCOCCCNCCCF 2230a_100011310245_100011934791 [0,1,0,0,0,0|2,0,1]=4 5044 B12R0.5 OCCCOCCCNCCCF 34a_100011310245_100011934791 [0,1,0,0,0,0|2,0,1]=4 5045 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,1,0,0,0,0|1,0,1]=3 5046 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,1,0,0,0,0|1,0,1]=3 5047 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 5048 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 5049 B12R0.5 OCCOCCNCCCCCF 2230a_100000211614_100000729378 [0,1,0,0,0,0|2,0,1]=4 5050 B12R0.5 OCCOCCNCCCCCF 34a_100000211614_100000729378 [0,1,0,0,0,0|2,0,1]=4 5051 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [0,1,0,0,0,0|2,0,1]=4 5052 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [0,1,0,0,0,0|2,0,1]=4 5053 B12R0.5 OCCOCCOCCCCCCl 34a_100000746330_100000692535 [0,1,0,0,0,0|2,0,1]=4 5054 B12R0.5 OCCOCCOCCCCCCl 7a_100000746330_100011215305 [0,1,0,0,0,0|2,0,1]=4 5055 B12R0.5 OCCOCCOCCCCCI 34a_200012148887_100000692535 [0,1,0,0,0,0|2,0,1]=4 5056 B12R0.5 OCCOCCOCCCCCI 7a_200012148887_100011215305 [0,1,0,0,0,0|2,0,1]=4 5057 B12R0.5 OCCOCCSCCCCCF 62a_100000729378_100011215305 [0,1,0,0,0,0|2,0,1]=4 5058 B12R0.5 OCCOCCSCCCCCF 62a_100011215305_100000729378 [0,1,0,0,0,0|2,0,1]=4 5059 B12R0.5 OCCSCCNCCCCCF 2230a_100011219999_100000729378 [0,1,0,0,0,0|2,0,1]=4 5060 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 5061 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 5062 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,1,0,0,0,0|1,0,1]=3 5063 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,1,0,0,0,0|1,0,1]=3 5064 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,1,0,0,0,0|1,0,1]=3 5065 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,1,0,0,0,0|1,0,1]=3 5066 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,1,0,0,0,0|1,0,1]=3 5067 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,1,0,0,0,0|0,0,2]=3 5068 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,1,0,0,0,0|0,0,2]=3 5069 B12R0.5 [N-]=[N+]=NCCCCCCNCCO 2230a_200000049180_100000211926 [0,1,0,0,0,0|3,0,0]=4 5070 B12R0.5 [N-]=[N+]=NCCCCNCCCCO 2230a_100000101370_100000210776 [0,1,0,0,0,0|3,0,0]=4 5071 B12R0.5 [N-]=[N+]=NCCCNCCCCCO 2230a_100000744732_100000746330 [0,1,0,0,0,0|3,0,0]=4 5072 B12R0.47 C#CCCCC(=O)CCCCC=C 1458a_100000690238_100011215482 [0,1,0,0,0,0|1,0,2]=4 5073 B12R0.47 C#CCCCC(=O)CCCCC=C 1458a_100011215552_100000731252 [0,1,0,0,0,0|1,0,2]=4 5074 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,1,0,0,0,0|0,0,3]=4 5075 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,1,0,0,0,0|0,0,3]=4 5076 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000696528_100000757094 [0,1,0,0,0,0|1,0,2]=4 5077 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000766728_100010269958 [0,1,0,0,0,0|1,0,2]=4 5078 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,1,0,0,0,0|0,0,3]=4 5079 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,1,0,0,0,0|0,0,3]=4 5080 B12R0.47 C#CCCCCN(C)CCCCO 2230a_100000717598_100010269958 [0,1,0,0,0,0|1,0,2]=4 5081 B12R0.47 C#CCCCCN(C)CCCCO 269982a_100000717598_100010269958 [0,1,0,0,0,0|1,0,2]=4 5082 B12R0.47 C#CCCCN(C)CCCCC=C 2230a_100012000471_100000731252 [0,1,0,0,0,0|2,0,1]=4 5083 B12R0.47 C#CCCCN(C)CCCCC=C 269982a_100012000471_100011215417 [0,1,0,0,0,0|2,0,1]=4 5084 B12R0.47 C#CCCCN(C)CCCCCO 2230a_100000722520_100000731252 [0,1,0,0,0,0|1,0,2]=4 5085 B12R0.47 C#CCCCN(C)CCCCCO 269982a_100000722520_100011215417 [0,1,0,0,0,0|1,0,2]=4 5086 B12R0.47 C=CCCCC(=O)CCCCC#N 1458a_100000766728_100000211819 [0,1,0,0,0,0|1,0,2]=4 5087 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,1]=3 5088 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,1]=3 5089 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,1,0,0,0,0|1,0,1]=3 5090 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|0,0,1]=2 5091 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|0,0,1]=2 5092 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,1,0,0,0,0|2,0,1]=4 5093 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,1,0,0,0,0|2,0,1]=4 5094 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,1,0,0,0,0|2,0,1]=4 5095 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100000766728_100011215305 [0,1,0,0,0,0|1,0,1]=3 5096 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100011229844_100000757094 [0,1,0,0,0,0|1,0,1]=3 5097 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,1,0,0,0,0|2,0,1]=4 5098 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,1,0,0,0,0|2,0,1]=4 5099 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,1,0,0,0,0|2,0,1]=4 5100 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5101 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5102 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5103 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5104 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [0,1,0,0,0,0|1,0,1]=3 5105 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [0,1,0,0,0,0|1,0,1]=3 5106 B12R0.47 C=CCCCCC(=O)CC#CCO 1458a_100011215552_200000047223 [0,1,0,0,0,0|0,0,3]=4 5107 B12R0.47 C=CCCCCC(=O)CCCC#N 1458a_100000075515_100011215482 [0,1,0,0,0,0|1,0,2]=4 5108 B12R0.47 C=CCCCCC(=O)CCCC#N 1458a_100011215552_100000211468 [0,1,0,0,0,0|1,0,2]=4 5109 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [0,1,0,0,0,0|1,0,2]=4 5110 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [0,1,0,0,0,0|1,0,2]=4 5111 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,1,0,0,0,0|1,0,1]=3 5112 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,1,0,0,0,0|1,0,1]=3 5113 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,1,0,0,0,0|1,0,1]=3 5114 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,1,0,0,0,0|0,0,1]=2 5115 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,1,0,0,0,0|0,0,1]=2 5116 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,1,0,0,0,0|2,0,1]=4 5117 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,1,0,0,0,0|2,0,1]=4 5118 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,1,0,0,0,0|2,0,1]=4 5119 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,1,0,0,0,0|2,0,1]=4 5120 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,1,0,0,0,0|2,0,1]=4 5121 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,1,0,0,0,0|2,0,1]=4 5122 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,1,0,0,0,0|2,0,1]=4 5123 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,1,0,0,0,0|2,0,1]=4 5124 B12R0.47 C=CCCCCC(=O)COCCO 1458a_100000708028_100011215482 [0,1,0,0,0,0|1,0,1]=3 5125 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,1,0,0,0,0|2,0,1]=4 5126 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5127 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5128 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5129 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5130 B12R0.47 C=CCCCCC(=O)NCCCF 11a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 5131 B12R0.47 C=CCCCCC(=O)NCCCF 1626a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 5132 B12R0.47 C=CCCCCC(=O)NCCCF 240690a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 5133 B12R0.47 C=CCCCCC(=O)NCCCF 527a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 5134 B12R0.47 C=CCCCCC(=O)NCCCO 240690a_100000182051_100011215552 [0,1,0,0,0,0|1,0,1]=3 5135 B12R0.47 C=CCCCCC(=O)NCCCO 527a_100000182051_100011215552 [0,1,0,0,0,0|1,0,1]=3 5136 B12R0.47 C=CCCCCC(=O)NNCCO 22a_100000210001_100011215552 [0,1,0,0,0,0|2,0,1]=4 5137 B12R0.47 C=CCCCCN(C)CC#CCO 2230a_100012000471_200000047223 [0,1,0,0,0,0|1,0,2]=4 5138 B12R0.47 C=CCCCCN(C)CCCC#N 2230a_100012000471_100000687738 [0,1,0,0,0,0|2,0,1]=4 5139 B12R0.47 C=CCCCCN(C)CCCC#N 269982a_100012000471_100000687738 [0,1,0,0,0,0|2,0,1]=4 5140 B12R0.47 C=CCCCCN(C)CCCC=C 2230a_100012000471_100011713584 [0,1,0,0,0,0|2,0,1]=4 5141 B12R0.47 C=CCCCCN(C)CCCC=C 269982a_100012000471_100000757094 [0,1,0,0,0,0|2,0,1]=4 5142 B12R0.47 C=CCCCCN(C)CCCC=O 2230a_100012000471_200011292268 [0,1,0,0,0,0|1,0,2]=4 5143 B12R0.47 C=CCCCCN(C)CCCC=O 269982a_100012000471_200011292268 [0,1,0,0,0,0|1,0,2]=4 5144 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,1,0,0,0,0|2,0,0]=3 5145 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,1,0,0,0,0|2,0,0]=3 5146 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,1,0,0,0,0|2,0,0]=3 5148 B12R0.47 C=CCCCCN(C)CCCCF 2230a_100012000471_100000729493 [0,1,0,0,0,0|2,0,0]=3 5149 B12R0.47 C=CCCCCN(C)CCCCF 269982a_100012000471_100000729493 [0,1,0,0,0,0|2,0,0]=3 5150 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,1,0,0,0,0|1,0,0]=2 5151 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,1,0,0,0,0|1,0,0]=2 5152 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,1,0,0,0,0|1,0,0]=2 5153 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,1,0,0,0,0|1,0,0]=2 5154 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 5155 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 5156 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 5157 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 5158 B12R0.47 C=CCCCCN(C)CCOCC 2230a_100012000471_100011215890 [0,1,0,0,0,0|3,0,0]=4 5159 B12R0.47 C=CCCCCN(C)CCOCC 269982a_100012000471_100011215890 [0,1,0,0,0,0|3,0,0]=4 5160 B12R0.47 C=CCCCCN(C)CCSCC 2230a_100012000471_100000757381 [0,1,0,0,0,0|3,0,0]=4 5161 B12R0.47 C=CCCCCN(C)CCSCC 269982a_100012000471_100000757381 [0,1,0,0,0,0|3,0,0]=4 5162 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,1,0,0,0,0|2,0,0]=3 5163 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,1,0,0,0,0|2,0,0]=3 5164 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,1,0,0,0,0|1,0,0]=2 5165 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,1,0,0,0,0|1,0,0]=2 5166 B12R0.47 C=CCCCN(C)CCOCCO 2230a_100000228057_100011713584 [0,1,0,0,0,0|2,0,0]=3 5167 B12R0.47 C=CCCCN(C)CCOCCO 269982a_100000228057_100000757094 [0,1,0,0,0,0|2,0,0]=3 5168 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5169 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5170 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5171 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5172 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [0,1,0,0,0,0|1,0,1]=3 5173 B12R0.47 C=CCCCNC(=O)COCCO 1626a_100000700776_100000708028 [0,1,0,0,0,0|2,0,1]=4 5174 B12R0.47 C=CCCCNC(=O)COCCO 240690a_100000700776_100000708028 [0,1,0,0,0,0|2,0,1]=4 5175 B12R0.47 C=CCCCNC(=O)NCCCO 2708a_100000700776_100000182051 [0,1,0,0,0,0|2,0,1]=4 5176 B12R0.47 C=CCCCNC(=O)NCCCO 273464a_100000182051_100000700776 [0,1,0,0,0,0|2,0,1]=4 5177 B12R0.47 C=CCCCNC(=O)NCCCO 273464a_100000700776_100000182051 [0,1,0,0,0,0|2,0,1]=4 5178 B12R0.47 C=CCCCNC(=O)NCCCO 512a_100000700776_100000182051 [0,1,0,0,0,0|2,0,1]=4 5179 B12R0.47 C=CCCCNC(C)CCCC#N 270004a_100000700776_200000032708 [0,1,0,0,0,0|2,0,1]=4 5180 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,1,0,0,0,0|2,0,0]=3 5181 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,1,0,0,0,0|2,0,0]=3 5182 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,1,0,0,0,0|2,0,0]=3 5183 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,1,0,0,0,0|2,0,0]=3 5184 B12R0.47 C=CCCCNC(C)CCCSC 270004a_100000700776_100011399439 [0,1,0,0,0,0|3,0,0]=4 5185 B12R0.47 C=CCCCNC(C)CCOCC 270004a_100000700776_200011216536 [0,1,0,0,0,0|3,0,0]=4 5186 B12R0.47 C=CCCCNC(C)CSCCC 270004a_100000700776_100011343953 [0,1,0,0,0,0|3,0,0]=4 5187 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,0,0,0,0|2,0,0]=3 5188 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,0,0,0,0|2,0,0]=3 5189 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,0,0,0,0|2,0,0]=3 5190 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,0,0,0,0|2,0,0]=3 5191 B12R0.47 C=CCCCOC(C)CCCOC 34a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 5192 B12R0.47 C=CCCCOC(C)CCCOC 7a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 5193 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,1,0,0,0,0|2,0,0]=3 5194 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,1,0,0,0,0|2,0,0]=3 5195 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5196 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5197 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5198 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5199 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,1,0,0,0,0|1,0,1]=3 5200 B12R0.47 C=CCCNC(=O)CCOCCO 1626a_100015191253_100011229844 [0,1,0,0,0,0|2,0,1]=4 5201 B12R0.47 C=CCCNC(=O)CCOCCO 240690a_100015191253_100011229844 [0,1,0,0,0,0|2,0,1]=4 5202 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100000750430_100015191253 [0,1,0,0,0,0|2,0,1]=4 5203 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100015191253_100000750430 [0,1,0,0,0,0|2,0,1]=4 5204 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100000750430_100015191253 [0,1,0,0,0,0|2,0,1]=4 5205 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100015191253_100000750430 [0,1,0,0,0,0|2,0,1]=4 5206 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100000750430_100015191253 [0,1,0,0,0,0|2,0,1]=4 5207 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100015191253_100000750430 [0,1,0,0,0,0|2,0,1]=4 5208 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,1,0,0,0,0|2,0,0]=3 5209 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,1,0,0,0,0|2,0,0]=3 5210 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,1,0,0,0,0|2,0,0]=3 5211 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,1,0,0,0,0|2,0,0]=3 5212 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,1,0,0,0,0|2,0,1]=4 5213 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,1,0,0,0,0|2,0,0]=3 5214 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,1,0,0,0,0|2,0,0]=3 5215 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,1,0,0,0,0|2,0,0]=3 5216 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,1,0,0,0,0|3,0,0]=4 5217 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,1,0,0,0,0|3,0,0]=4 5218 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,1,0,0,0,0|2,0,1]=4 5219 B12R0.47 C=CCCOC[C@@H](N)CCCCN 34a_100016993712_100000754431 [0,1,0,0,0,0|2,0,0]=3 5220 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,1,0,0,0,0|2,0,0]=3 5221 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,1,0,0,0,0|2,0,0]=3 5222 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,1,0,0,0,0|2,0,1]=4 5223 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,1,0,0,0,0|2,0,1]=4 5224 B12R0.47 C=CCNNC(=O)CCCCCO 22a_100020588587_100102619762 [0,1,0,0,0,0|2,0,1]=4 5225 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,1,0,0,0,0|2,0,1]=4 5226 B12R0.47 C=CCOCCC(=O)CCCCF 1458a_200011217002_100000729493 [0,1,0,0,0,0|2,0,1]=4 5227 B12R0.47 C=CCOCCC(=O)CCCCO 1458a_200011217002_100000210776 [0,1,0,0,0,0|1,0,1]=3 5228 B12R0.47 C=CCOCCC(=O)NCCCO 240690a_100000182051_200011217002 [0,1,0,0,0,0|2,0,1]=4 5229 B12R0.47 C=CCOCCC(=O)NCCCO 527a_100000182051_200011217002 [0,1,0,0,0,0|2,0,1]=4 5230 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,1,0,0,0,0|2,0,1]=4 5231 B12R0.47 C=CCSCC(=O)CCCCCF 1458a_100000230395_100000729378 [0,1,0,0,0,0|2,0,1]=4 5232 B12R0.47 C=CCSCC(=O)CCCCCO 1458a_100000230395_100000746330 [0,1,0,0,0,0|1,0,1]=3 5233 B12R0.47 C=CCSCC(=O)CCOCCO 1458a_100000230395_100011215305 [0,1,0,0,0,0|2,0,1]=4 5234 B12R0.47 C=CCSCC(=O)NCCCCO 240690a_100000750430_100000230395 [0,1,0,0,0,0|2,0,1]=4 5235 B12R0.47 C=CCSCC(=O)NCCCCO 527a_100000750430_100000230395 [0,1,0,0,0,0|2,0,1]=4 5236 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,1,0,0,0,0|2,0,1]=4 5237 B12R0.47 C=COCCC(=O)CCCCCO 1458a_100102619762_100000039644 [0,1,0,0,0,0|1,0,1]=3 5238 B12R0.47 C=COCCC(=O)CCOCCO 1458a_100011229844_100000039644 [0,1,0,0,0,0|2,0,1]=4 5239 B12R0.47 C=COCCN(C)CCCCCC 2230a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 5240 B12R0.47 C=COCCN(C)CCCCCC 269982a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 5241 B12R0.47 C=COCCN(C)CCCCCO 2230a_100000722520_100000039644 [0,1,0,0,0,0|2,0,0]=3 5242 B12R0.47 C=COCCN(C)CCCCCO 269982a_100000722520_100000039644 [0,1,0,0,0,0|2,0,0]=3 5243 B12R0.47 C=COCCN(C)CCOCCO 2230a_100000228057_100000039644 [0,1,0,0,0,0|3,0,0]=4 5244 B12R0.47 C=COCCN(C)CCOCCO 269982a_100000228057_100000039644 [0,1,0,0,0,0|3,0,0]=4 5245 B12R0.47 C=COCCNC(C)CCCCC 2230a_100000211957_100000039644 [0,1,0,0,0,0|3,0,0]=4 5246 B12R0.47 C=COCCOC(C)CCCCC 34a_100000033082_200011218191 [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.47 C=COCCOC(C)CCCCC 34a_100011215632_100000039644 [0,1,0,0,0,0|3,0,0]=4 5248 B12R0.47 C=COCCOC(C)CCCCC 7a_100011215632_100000039644 [0,1,0,0,0,0|3,0,0]=4 5249 B12R0.47 C=COCCSC(C)CCCCC 62a_100000039644_200011218191 [0,1,0,0,0,0|3,0,0]=4 5250 B12R0.47 C=COCCSC(C)CCCCC 62a_200011218191_100000039644 [0,1,0,0,0,0|3,0,0]=4 5251 B12R0.47 CC(CCCC#N)NCCCCO 270004a_100000750430_200000032708 [0,1,0,0,0,0|2,0,1]=4 5252 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,1,0,0,0,0|0,0,3]=4 5253 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,1,0,0,0,0|0,0,3]=4 5254 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,1,0,0,0,0|3,0,0]=4 5255 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,1,0,0,0,0|1,0,2]=4 5256 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 5257 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,1,0,0,0,0|1,0,2]=4 5258 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 5259 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,0,0,0,0|3,0,0]=4 5260 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,1,0,0,0,0|1,0,2]=4 5261 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,1,0,0,0,0|1,0,2]=4 5262 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,1,0,0,0,0|3,0,0]=4 5263 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,1,0,0,0,0|3,0,0]=4 5264 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,1,0,0,0,0|1,0,2]=4 5265 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,1,0,0,0,0|1,0,2]=4 5266 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|0,0,3]=4 5267 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|0,0,3]=4 5268 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 5269 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,1,0,0,0,0|1,0,2]=4 5270 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 5271 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,1,0,0,0,0|1,0,2]=4 5272 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,1,0,0,0,0|1,0,2]=4 5273 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,1,0,0,0,0|1,0,2]=4 5274 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,1,0,0,0,0|1,0,2]=4 5275 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,0,0,0,0|3,0,0]=4 5276 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,0,0,0,0|3,0,0]=4 5277 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,1,0,0,0,0|1,0,2]=4 5278 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 5279 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,1,0,0,0,0|1,0,2]=4 5280 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 5281 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,1,0,0,0,0|3,0,0]=4 5282 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,1,0,0,0,0|3,0,0]=4 5283 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 5284 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,1,0,0,0,0|1,0,2]=4 5285 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 5286 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,1,0,0,0,0|1,0,2]=4 5287 B12R0.47 CN(CCCC#N)CCCCCO 2230a_100000722520_100000687738 [0,1,0,0,0,0|2,0,1]=4 5288 B12R0.47 CN(CCCC#N)CCCCCO 269982a_100000722520_100000687738 [0,1,0,0,0,0|2,0,1]=4 5289 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,1,0,0,0,0|2,0,0]=3 5290 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,1,0,0,0,0|2,0,0]=3 5291 B12R0.47 CN(CCCC=O)CCOCCO 2230a_100000228057_200011292268 [0,1,0,0,0,0|3,0,0]=4 5292 B12R0.47 CN(CCCC=O)CCOCCO 269982a_100000228057_200011292268 [0,1,0,0,0,0|3,0,0]=4 5293 B12R0.47 CN(CCCCF)CCCCCO 2230a_100000722520_100000729493 [0,1,0,0,0,0|2,0,1]=4 5294 B12R0.47 CN(CCCCF)CCCCCO 269982a_100000722520_100000729493 [0,1,0,0,0,0|2,0,1]=4 5295 B12R0.47 CN(CCCCO)CCCCC#N 2230a_100000717598_100000211819 [0,1,0,0,0,0|2,0,1]=4 5296 B12R0.47 CN(CCCCO)CCCCC#N 269982a_100000717598_100011219923 [0,1,0,0,0,0|2,0,1]=4 5297 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,1,0,0,0,0|2,0,0]=3 5298 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,1,0,0,0,0|2,0,0]=3 5299 B12R0.47 CN(CCCCO)CCCCCF 2230a_100000717598_100000729378 [0,1,0,0,0,0|2,0,1]=4 5300 B12R0.47 CN(CCCCO)CCCCCF 269982a_100000717598_100000729378 [0,1,0,0,0,0|2,0,1]=4 5301 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000717598_100000746330 [0,1,0,0,0,0|2,0,1]=4 5302 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000722520_100000210776 [0,1,0,0,0,0|2,0,1]=4 5303 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000717598_100000746330 [0,1,0,0,0,0|2,0,1]=4 5304 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000722520_100000210776 [0,1,0,0,0,0|2,0,1]=4 5305 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,1,0,0,0,0|1,0,2]=4 5306 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,1,0,0,0,0|1,0,2]=4 5307 B12R0.47 COCCCC(C)OCCCCO 34a_200011539412_100011216708 [0,1,0,0,0,0|2,0,1]=4 5308 B12R0.47 COCCCC(C)OCCCCO 7a_200011539412_100000210776 [0,1,0,0,0,0|2,0,1]=4 5309 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,1,0,0,0,0|1,0,2]=4 5310 B12R0.47 COCCCCN(C)CCCCO 2230a_100000717598_100000730899 [0,1,0,0,0,0|2,0,1]=4 5311 B12R0.47 COCCCCN(C)CCCCO 269982a_100000717598_100000730899 [0,1,0,0,0,0|2,0,1]=4 5312 B12R0.47 COCCCN(C)CCCCCO 2230a_100000224831_100000746330 [0,1,0,0,0,0|2,0,1]=4 5313 B12R0.47 COCCCN(C)CCCCCO 2230a_100000722520_100000740836 [0,1,0,0,0,0|2,0,1]=4 5314 B12R0.47 COCCCN(C)CCCCCO 269982a_100000224831_100000746330 [0,1,0,0,0,0|2,0,1]=4 5315 B12R0.47 COCCCN(C)CCCCCO 269982a_100000722520_100000740836 [0,1,0,0,0,0|2,0,1]=4 5316 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,1,0,0,0,0|1,0,2]=4 5317 B12R0.47 CSCCCC(C)NCCCCO 270004a_100000750430_100011399439 [0,1,0,0,0,0|2,0,1]=4 5318 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,1,0,0,0,0|1,0,2]=4 5319 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,1,0,0,0,0|1,0,2]=4 5320 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,1,0,0,0,0|1,0,2]=4 5321 B12R0.47 NCCCC[C@H](N)COCCCO 34a_100016993712_100000230001 [0,1,0,0,0,0|2,0,1]=4 5322 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,1,0,0,0,0|1,0,2]=4 5323 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,1,0,0,0,0|1,0,2]=4 5324 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,1,0,0,0,0|1,0,2]=4 5325 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,1,0,0,0,0|1,0,2]=4 5326 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100000692101_100000700193 [0,1,0,0,0,0|1,0,2]=4 5327 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100011934241_100000753159 [0,1,0,0,0,0|1,0,2]=4 5328 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,1,0,0,0,0|0,0,3]=4 5329 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,1,0,0,0,0|0,0,3]=4 5330 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000694772_100000754431 [0,1,0,0,0,0|1,0,2]=4 5331 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000749702_100012094781 [0,1,0,0,0,0|1,0,2]=4 5332 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,1,0,0,0,0|0,0,3]=4 5333 B12R0.206 C#CCCCCCN(C)CCC=C 2230a_100020639649_100012094781 [0,1,0,0,0,0|2,0,1]=4 5334 B12R0.206 C#CCCCCCN(C)CCC=C 269982a_100020639649_100012094781 [0,1,0,0,0,0|2,0,1]=4 5335 B12R0.206 C#CCCCCCN(C)CCCO 2230a_100000213112_100012094781 [0,1,0,0,0,0|1,0,2]=4 5336 B12R0.206 C#CCCCCCN(C)CCCO 269982a_100000213112_100012094781 [0,1,0,0,0,0|1,0,2]=4 5337 B12R0.206 C#CCCCCOC(C)CCC=C 34a_100000765329_100010269958 [0,1,0,0,0,0|2,0,1]=4 5338 B12R0.206 C#CCCCCOC(C)CCC=C 7a_100000765329_100010269958 [0,1,0,0,0,0|2,0,1]=4 5339 B12R0.206 C#CCCCNC[C@H](C)CCCO 2230a_100160569302_100000731252 [0,1,0,0,0,0|1,0,2]=4 5340 B12R0.206 C#CCCCNC[C@H](C)CCCO 34a_100160569302_100000695029 [0,1,0,0,0,0|1,0,2]=4 5341 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,1,0,0,0,0|0,0,3]=4 5342 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,1,0,0,0,0|0,0,3]=4 5343 B12R0.206 C=CCCC(=O)CCCCCC#N 1458a_100000749702_100009813376 [0,1,0,0,0,0|1,0,2]=4 5344 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,1]=3 5345 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,1]=3 5346 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,0,0,0,0|1,0,1]=3 5347 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|0,0,1]=2 5348 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|0,0,1]=2 5349 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,0,0,0,0|2,0,1]=4 5350 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,1,0,0,0,0|2,0,1]=4 5351 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 5352 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 5353 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 5354 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 5355 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,1,0,0,0,0|1,0,1]=3 5356 B12R0.206 C=CCCC(=O)NCCOCCO 240690a_100000211614_100000749702 [0,1,0,0,0,0|2,0,1]=4 5357 B12R0.206 C=CCCC(=O)NCCSCCO 240690a_100011219999_100000749702 [0,1,0,0,0,0|2,0,1]=4 5358 B12R0.206 C=CCCC(=O)NCCSCCO 527a_100011219999_100000749702 [0,1,0,0,0,0|2,0,1]=4 5359 B12R0.206 C=CCCC(C)NCCCCC#N 270004a_100000751965_100000762624 [0,1,0,0,0,0|2,0,1]=4 5360 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,1,0,0,0,0|2,0,0]=3 5361 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,1,0,0,0,0|1,0,0]=2 5362 B12R0.206 C=CCCC(C)NCCCOCC 270004a_100000210961_100000762624 [0,1,0,0,0,0|3,0,0]=4 5363 B12R0.206 C=CCCC(C)NCCOCCC 270004a_100161115042_100000762624 [0,1,0,0,0,0|3,0,0]=4 5364 B12R0.206 C=CCCC(C)NCCOCCO 270004a_100000211614_100000762624 [0,1,0,0,0,0|2,0,0]=3 5365 B12R0.206 C=CCCC(C)NCCSCCC 270004a_100020603323_100000762624 [0,1,0,0,0,0|3,0,0]=4 5366 B12R0.206 C=CCCC(C)NCCSCCO 270004a_100011219999_100000762624 [0,1,0,0,0,0|2,0,0]=3 5367 B12R0.206 C=CCCC(C)OCCCCC#N 7a_100000765329_100000211819 [0,1,0,0,0,0|2,0,1]=4 5368 B12R0.206 C=CCCC(C)OCCCCC=O 7a_100000765329_100000139335 [0,1,0,0,0,0|1,0,2]=4 5369 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,1,0,0,0,0|2,0,0]=3 5370 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,1,0,0,0,0|2,0,0]=3 5371 B12R0.206 C=CCCC(C)OCCCCCF 34a_100000765329_100000729378 [0,1,0,0,0,0|2,0,0]=3 5372 B12R0.206 C=CCCC(C)OCCCCCF 7a_100000765329_100000729378 [0,1,0,0,0,0|2,0,0]=3 5373 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,1,0,0,0,0|1,0,0]=2 5374 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,1,0,0,0,0|1,0,0]=2 5375 B12R0.206 C=CCCC(C)OCCCCOC 34a_100000765329_100000755781 [0,1,0,0,0,0|3,0,0]=4 5376 B12R0.206 C=CCCC(C)OCCCCOC 7a_100000765329_100000730899 [0,1,0,0,0,0|3,0,0]=4 5377 B12R0.206 C=CCCC(C)OCCCOCC 34a_100000765329_100012232248 [0,1,0,0,0,0|3,0,0]=4 5378 B12R0.206 C=CCCC(C)OCCCOCC 7a_100000765329_100012232248 [0,1,0,0,0,0|3,0,0]=4 5379 B12R0.206 C=CCCC(C)OCCOCCC 34a_100000765329_100011215938 [0,1,0,0,0,0|3,0,0]=4 5380 B12R0.206 C=CCCC(C)OCCOCCC 7a_100000765329_100011215938 [0,1,0,0,0,0|3,0,0]=4 5381 B12R0.206 C=CCCC(C)OCCOCCO 34a_100000765329_100000692535 [0,1,0,0,0,0|2,0,0]=3 5382 B12R0.206 C=CCCC(C)OCCOCCO 7a_100000765329_100011215305 [0,1,0,0,0,0|2,0,0]=3 5383 B12R0.206 C=CCCC(C)OCOCCCC 34a_100000765329_100011995733 [0,1,0,0,0,0|3,0,0]=4 5384 B12R0.206 C=CCCCCCC(=O)C#CCO 1458a_100000049017_100000700193 [0,1,0,0,0,0|0,0,3]=4 5385 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934036_100000700193 [0,1,0,0,0,0|1,0,2]=4 5386 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934241_100011215226 [0,1,0,0,0,0|1,0,2]=4 5387 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [0,1,0,0,0,0|1,0,2]=4 5388 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [0,1,0,0,0,0|1,0,2]=4 5389 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,1,0,0,0,0|1,0,1]=3 5390 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,1,0,0,0,0|1,0,1]=3 5391 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,1,0,0,0,0|1,0,1]=3 5392 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,1,0,0,0,0|0,0,1]=2 5393 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,1,0,0,0,0|2,0,1]=4 5394 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,1,0,0,0,0|2,0,1]=4 5395 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,1,0,0,0,0|2,0,1]=4 5396 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,1,0,0,0,0|2,0,1]=4 5397 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,1,0,0,0,0|2,0,1]=4 5398 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,1,0,0,0,0|2,0,1]=4 5399 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 5400 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 5401 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 5402 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 5403 B12R0.206 C=CCCCCCC(=O)NCCF 11a_100000724931_100011934241 [0,1,0,0,0,0|2,0,1]=4 5404 B12R0.206 C=CCCCCCC(=O)NCCF 1626a_100000724931_100011934241 [0,1,0,0,0,0|2,0,1]=4 5405 B12R0.206 C=CCCCCCC(=O)NCCF 240690a_100000724931_100011934241 [0,1,0,0,0,0|2,0,1]=4 5406 B12R0.206 C=CCCCCCC(=O)NCCF 527a_100000724931_100011934241 [0,1,0,0,0,0|2,0,1]=4 5407 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,1,0,0,0,0|1,0,1]=3 5408 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,1,0,0,0,0|1,0,1]=3 5409 B12R0.206 C=CCCCCCN(C)CCC#N 2230a_100000184479_100000700193 [0,1,0,0,0,0|2,0,1]=4 5410 B12R0.206 C=CCCCCCN(C)CCC=C 2230a_100020639649_100000700193 [0,1,0,0,0,0|2,0,1]=4 5411 B12R0.206 C=CCCCCCN(C)CCC=C 269982a_100020639649_100000700193 [0,1,0,0,0,0|2,0,1]=4 5412 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,1,0,0,0,0|2,0,0]=3 5413 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,1,0,0,0,0|2,0,0]=3 5414 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,1,0,0,0,0|1,0,0]=2 5415 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,1,0,0,0,0|1,0,0]=2 5416 B12R0.206 C=CCCCCCN(C)CCOC 2230a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 5417 B12R0.206 C=CCCCCCN(C)CCOC 269982a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 5418 B12R0.206 C=CCCCCCN(C)CCSC 2230a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 5419 B12R0.206 C=CCCCCCN(C)CCSC 269982a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 5420 B12R0.206 C=CCCCCNC(=O)CCCC 11a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 5421 B12R0.206 C=CCCCCNC(=O)CCCC 1626a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 5422 B12R0.206 C=CCCCCNC(=O)CCCC 240690a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 5423 B12R0.206 C=CCCCCNC(=O)CCCC 527a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 5424 B12R0.206 C=CCCCCNC(=O)NCCO 2708a_100000703577_100000210304 [0,1,0,0,0,0|2,0,1]=4 5425 B12R0.206 C=CCCCCNC(=O)NCCO 273464a_100000210304_100000703577 [0,1,0,0,0,0|2,0,1]=4 5426 B12R0.206 C=CCCCCNC(=O)NCCO 273464a_100000703577_100000210304 [0,1,0,0,0,0|2,0,1]=4 5427 B12R0.206 C=CCCCCNC(=O)NCCO 512a_100000703577_100000210304 [0,1,0,0,0,0|2,0,1]=4 5428 B12R0.206 C=CCCCCNC(C)CCC=C 270004a_100000703577_100000762624 [0,1,0,0,0,0|2,0,1]=4 5429 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,1,0,0,0,0|2,0,0]=3 5430 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,1,0,0,0,0|2,0,0]=3 5431 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,1,0,0,0,0|2,0,0]=3 5432 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,1,0,0,0,0|2,0,0]=3 5433 B12R0.206 C=CCCCCNC(C)CCOC 270004a_100000703577_100000742357 [0,1,0,0,0,0|3,0,0]=4 5434 B12R0.206 C=CCCCCNC(C)CCSC 270004a_100000703577_100011217047 [0,1,0,0,0,0|3,0,0]=4 5435 B12R0.206 C=CCCCCNC(C)CSCC 270004a_100000703577_200011216171 [0,1,0,0,0,0|3,0,0]=4 5436 B12R0.206 C=CCCCCOC(C)CCC=C 34a_100000765329_100011215482 [0,1,0,0,0,0|2,0,1]=4 5437 B12R0.206 C=CCCCCOC(C)CCC=C 7a_100000765329_100011215482 [0,1,0,0,0,0|2,0,1]=4 5438 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,1,0,0,0,0|2,0,0]=3 5439 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,1,0,0,0,0|2,0,0]=3 5440 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,1,0,0,0,0|2,0,0]=3 5441 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,1,0,0,0,0|2,0,0]=3 5442 B12R0.206 C=CCCCCOC(C)CCCCl 34a_200000718107_100011215482 [0,1,0,0,0,0|2,0,0]=3 5443 B12R0.206 C=CCCCCOC(C)CCCCl 7a_200000718107_100011215482 [0,1,0,0,0,0|2,0,0]=3 5444 B12R0.206 C=CCCCCOC(C)COCC 34a_100000718985_100011215482 [0,1,0,0,0,0|3,0,0]=4 5445 B12R0.206 C=CCCCCOC(C)COCC 7a_100000718985_100011215482 [0,1,0,0,0,0|3,0,0]=4 5446 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,1,0,0,0,0|2,0,0]=3 5447 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,1,0,0,0,0|2,0,0]=3 5448 B12R0.206 C=CCCCNCC(C)OCCC 2230a_100015185124_100011713584 [0,1,0,0,0,0|3,0,0]=4 5449 B12R0.206 C=CCCCNCC(C)OCCC 34a_100015185124_100000757094 [0,1,0,0,0,0|3,0,0]=4 5450 B12R0.206 C=CCCCNCC(O)COCC 2230a_102515437182_100011713584 [0,1,0,0,0,0|3,0,0]=4 5451 B12R0.206 C=CCCCNCC(O)COCC 34a_102515437182_100000757094 [0,1,0,0,0,0|3,0,0]=4 5452 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,1,0,0,0,0|1,0,0]=2 5453 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,1,0,0,0,0|1,0,0]=2 5454 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,1,0,0,0,0|2,0,0]=3 5455 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,1,0,0,0,0|2,0,0]=3 5456 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,1,0,0,0,0|2,0,0]=3 5457 B12R0.206 C=CCCCOC[C@@H](N)CCSC 34a_100011827619_100000757094 [0,1,0,0,0,0|3,0,0]=4 5458 B12R0.206 C=CCCN(C)CCCCCC#N 2230a_100020639649_100009813376 [0,1,0,0,0,0|2,0,1]=4 5459 B12R0.206 C=CCCN(C)CCCCCC#N 269982a_100020639649_100009813376 [0,1,0,0,0,0|2,0,1]=4 5460 B12R0.206 C=CCCN(C)CCCCCC=O 2230a_100020639649_100000139337 [0,1,0,0,0,0|1,0,2]=4 5461 B12R0.206 C=CCCN(C)CCCCCC=O 269982a_100020639649_100000139337 [0,1,0,0,0,0|1,0,2]=4 5462 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,1,0,0,0,0|2,0,0]=3 5463 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,1,0,0,0,0|2,0,0]=3 5464 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,1,0,0,0,0|2,0,0]=3 5465 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,1,0,0,0,0|2,0,0]=3 5466 B12R0.206 C=CCCN(C)CCCCCCF 2230a_100020639649_100015922095 [0,1,0,0,0,0|2,0,0]=3 5467 B12R0.206 C=CCCN(C)CCCCCCF 269982a_100020639649_100015922095 [0,1,0,0,0,0|2,0,0]=3 5468 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,1,0,0,0,0|1,0,0]=2 5469 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,1,0,0,0,0|1,0,0]=2 5470 B12R0.206 C=CCCN(C)CCOCCCC 2230a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 5471 B12R0.206 C=CCCN(C)CCOCCCC 269982a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 5472 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 5473 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 5474 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 5475 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,1,0,0,0,0|1,0,1]=3 5476 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011215043_100011222895 [0,1,0,0,0,0|2,0,1]=4 5477 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011222895_100011215043 [0,1,0,0,0,0|2,0,1]=4 5478 B12R0.206 C=CCNC(=O)CNCCCCO 2230a_100000750430_100000183597 [0,1,0,0,0,0|2,0,1]=4 5479 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000183597_100000210776 [0,1,0,0,0,0|2,0,1]=4 5480 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000210776_100000183597 [0,1,0,0,0,0|2,0,1]=4 5481 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100000762737_100020586998 [0,1,0,0,0,0|2,0,1]=4 5482 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100020586998_100000762737 [0,1,0,0,0,0|2,0,1]=4 5483 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100000762737_100020586998 [0,1,0,0,0,0|2,0,1]=4 5484 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100020586998_100000762737 [0,1,0,0,0,0|2,0,1]=4 5485 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,1,0,0,0,0|2,0,0]=3 5486 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,1,0,0,0,0|2,0,0]=3 5487 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,1,0,0,0,0|2,0,1]=4 5488 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,1,0,0,0,0|2,0,1]=4 5489 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,1,0,0,0,0|2,0,1]=4 5490 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,1,0,0,0,0|2,0,1]=4 5491 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|2,0,0]=3 5492 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|2,0,0]=3 5493 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|2,0,0]=3 5494 B12R0.206 C=CCOCCOC(C)CCCC 34a_100000037705_200011215066 [0,1,0,0,0,0|3,0,0]=4 5495 B12R0.206 C=CCOCCOC(C)CCCC 7a_100000037705_200011215066 [0,1,0,0,0,0|3,0,0]=4 5496 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,1,0,0,0,0|2,0,0]=3 5497 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,1,0,0,0,0|2,0,0]=3 5498 B12R0.206 C=COCCCNC(C)CCCC 2230a_100000210767_200011215066 [0,1,0,0,0,0|3,0,0]=4 5499 B12R0.206 C=COCCCNC(C)CCCC 270004a_100000210767_100000210087 [0,1,0,0,0,0|3,0,0]=4 5500 B12R0.206 C=COCCCNC(C)CCCC 34a_100000210767_200011215066 [0,1,0,0,0,0|3,0,0]=4 5501 B12R0.206 C=COCCNC[C@H](C)CCCO 2230a_100160569302_100000039644 [0,1,0,0,0,0|2,0,0]=3 5502 B12R0.206 C=COCCNC[C@H](C)CCCO 34a_100160569302_100000039644 [0,1,0,0,0,0|2,0,0]=3 5503 B12R0.206 C=COCCOCC(C)CCCC 34a_100011995851_100000039644 [0,1,0,0,0,0|3,0,0]=4 5504 B12R0.206 C=COCCOCC(C)CCCC 7a_100011995851_100000039644 [0,1,0,0,0,0|3,0,0]=4 5505 B12R0.206 C=COCCOC[C@@H](N)CCCC 34a_100011934283_100000039644 [0,1,0,0,0,0|3,0,0]=4 5506 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [0,1,0,0,0,0|3,0,0]=4 5507 B12R0.206 CC(CCCCl)OCCCCCO 34a_200000718107_100000746330 [0,1,0,0,0,0|2,0,1]=4 5508 B12R0.206 CC(CCCCl)OCCCCCO 7a_200000718107_100000746330 [0,1,0,0,0,0|2,0,1]=4 5509 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,1,0,0,0,0|0,0,3]=4 5510 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,1,0,0,0,0|0,0,3]=4 5511 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|0,0,3]=4 5512 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|0,0,3]=4 5513 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,1,0,0,0,0|3,0,0]=4 5514 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,1,0,0,0,0|1,0,2]=4 5515 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,1,0,0,0,0|1,0,2]=4 5516 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,1,0,0,0,0|3,0,0]=4 5517 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,1,0,0,0,0|1,0,2]=4 5518 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 5519 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,1,0,0,0,0|1,0,2]=4 5520 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 5521 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,1,0,0,0,0|3,0,0]=4 5522 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 5523 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 5524 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,1,0,0,0,0|3,0,0]=4 5525 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,1,0,0,0,0|3,0,0]=4 5526 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,1,0,0,0,0|1,0,2]=4 5527 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,1,0,0,0,0|1,0,2]=4 5528 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|0,0,3]=4 5529 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,1,0,0,0,0|1,0,2]=4 5530 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,1,0,0,0,0|1,0,2]=4 5531 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,1,0,0,0,0|1,0,2]=4 5532 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|3,0,0]=4 5533 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|3,0,0]=4 5534 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,1,0,0,0,0|1,0,2]=4 5535 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,1,0,0,0,0|1,0,2]=4 5536 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,1,0,0,0,0|3,0,0]=4 5537 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,1,0,0,0,0|3,0,0]=4 5538 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,1,0,0,0,0|1,0,2]=4 5539 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,1,0,0,0,0|1,0,2]=4 5540 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 5541 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,1,0,0,0,0|1,0,2]=4 5542 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 5543 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,1,0,0,0,0|1,0,2]=4 5544 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,1,0,0,0,0|1,0,2]=4 5545 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,1,0,0,0,0|1,0,2]=4 5546 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,1,0,0,0,0|3,0,0]=4 5547 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,1,0,0,0,0|3,0,0]=4 5548 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 5549 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 5550 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,1,0,0,0,0|1,0,2]=4 5551 B12R0.206 CN(CCC#N)CCCCCCO 2230a_100000184479_100000766143 [0,1,0,0,0,0|2,0,1]=4 5552 B12R0.206 CN(CCCO)CCCCCC#N 2230a_100000213112_100009813376 [0,1,0,0,0,0|2,0,1]=4 5553 B12R0.206 CN(CCCO)CCCCCC#N 269982a_100000213112_100009813376 [0,1,0,0,0,0|2,0,1]=4 5554 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,1,0,0,0,0|2,0,0]=3 5555 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,1,0,0,0,0|2,0,0]=3 5556 B12R0.206 CN(CCCO)CCCCCCF 2230a_100000213112_100015922095 [0,1,0,0,0,0|2,0,1]=4 5557 B12R0.206 CN(CCCO)CCCCCCF 269982a_100000213112_100015922095 [0,1,0,0,0,0|2,0,1]=4 5558 B12R0.206 CN(CCCO)CCCCCCO 2230a_100000213112_100000766143 [0,1,0,0,0,0|2,0,1]=4 5559 B12R0.206 CN(CCCO)CCCCCCO 269982a_100000213112_100000766143 [0,1,0,0,0,0|2,0,1]=4 5560 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,0,0,0,0|1,0,2]=4 5561 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,0,0,0,0|1,0,2]=4 5562 B12R0.206 COCCC(C)NCCCCCO 270004a_100000762737_100000742357 [0,1,0,0,0,0|2,0,1]=4 5563 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,1,0,0,0,0|1,0,2]=4 5564 B12R0.206 COCCCNC[C@H](C)CCCO 2230a_100160569302_100000740836 [0,1,0,0,0,0|2,0,1]=4 5565 B12R0.206 COCCCNC[C@H](C)CCCO 34a_100160569302_100000740836 [0,1,0,0,0,0|2,0,1]=4 5566 B12R0.206 COCCN(C)CCCCCCO 2230a_100000743101_100000766143 [0,1,0,0,0,0|2,0,1]=4 5567 B12R0.206 COCCN(C)CCCCCCO 269982a_100000743101_100000766143 [0,1,0,0,0,0|2,0,1]=4 5568 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,0,0,0,0|1,0,2]=4 5569 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,0,0,0,0|1,0,2]=4 5570 B12R0.206 CSCCC(C)NCCCCCO 270004a_100000762737_100011217047 [0,1,0,0,0,0|2,0,1]=4 5571 B12R0.206 CSCCN(C)CCCCCCO 2230a_100000686725_100000766143 [0,1,0,0,0,0|2,0,1]=4 5572 B12R0.206 CSCCN(C)CCCCCCO 269982a_100000686725_100000766143 [0,1,0,0,0,0|2,0,1]=4 5573 B12R0.206 CSCC[C@H](N)COCCCCO 34a_100011827619_100011216708 [0,1,0,0,0,0|2,0,1]=4 5574 B12R0.206 C[C@H](CCCO)CNCCCC#N 2230a_100160569302_100000687738 [0,1,0,0,0,0|2,0,1]=4 5575 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,1,0,0,0,0|2,0,0]=3 5576 B12R0.206 C[C@H](CCCO)CNCCCCF 2230a_100160569302_100000729493 [0,1,0,0,0,0|2,0,1]=4 5577 B12R0.206 C[C@H](CCCO)CNCCCCF 34a_100160569302_100000729493 [0,1,0,0,0,0|2,0,1]=4 5578 B12R0.206 C[C@H](CCCO)CNCCCCO 2230a_100160569302_100000210776 [0,1,0,0,0,0|2,0,1]=4 5579 B12R0.206 C[C@H](CCCO)CNCCCCO 34a_100160569302_100011216708 [0,1,0,0,0,0|2,0,1]=4 5580 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,1,0,0,0,0|1,0,2]=4 5581 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,1,0,0,0,0|1,0,2]=4 5582 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,1,0,0,0,0|1,0,2]=4 5583 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,1,0,0,0,0|1,0,2]=4 5584 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|1,0,2]=4 5585 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|1,0,2]=4 5586 B12R0.234 C#CCCCCCCNCC(C)O 2230a_100000210904_100012276617 [0,1,0,0,0,0|1,0,2]=4 5587 B12R0.234 C#CCCCCCCNCC(C)O 34a_100000210904_100012276617 [0,1,0,0,0,0|1,0,2]=4 5588 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100000210245_100012276617 [0,1,0,0,0,0|2,0,1]=4 5589 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100011217361_100000748629 [0,1,0,0,0,0|2,0,1]=4 5590 B12R0.234 C#CCCCCCCOCC(=C)C 7a_100011217361_100000748629 [0,1,0,0,0,0|2,0,1]=4 5591 B12R0.234 C#CCCCCCCOCC(=C)F 34a_100011217361_100009893438 [0,1,0,0,0,0|2,0,1]=4 5592 B12R0.234 C#CCCCCCCOCC(=C)F 34a_200010262243_100012276617 [0,1,0,0,0,0|2,0,1]=4 5593 B12R0.234 C#CCCCCCCOCC(=C)F 7a_100011217361_100000042424 [0,1,0,0,0,0|2,0,1]=4 5594 B12R0.234 C#CCCCCCCOCC(C)O 34a_100011217361_100011218427 [0,1,0,0,0,0|1,0,2]=4 5595 B12R0.234 C#CCCCCCCOCC(C)O 7a_100011217361_100011218427 [0,1,0,0,0,0|1,0,2]=4 5596 B12R0.234 C#CCCCCCCOC[C@@H](C)O 34a_100011217361_100009817552 [0,1,0,0,0,0|1,0,2]=4 5597 B12R0.234 C#CCCCCCCOC[C@@H](C)O 7a_100011217361_100009817552 [0,1,0,0,0,0|1,0,2]=4 5598 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100000748629_100012276617 [0,1,0,0,0,0|2,0,1]=4 5599 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100012276617_100000211660 [0,1,0,0,0,0|2,0,1]=4 5600 B12R0.234 C#CCCCCCCSCC(=C)F 62a_100000042424_100012276617 [0,1,0,0,0,0|2,0,1]=4 5601 B12R0.234 C#CCCCCCCSCC(=C)F 62a_100012276617_100000042424 [0,1,0,0,0,0|2,0,1]=4 5602 B12R0.234 C#CCCCCCCSCC(C)O 62a_100011218427_100012276617 [0,1,0,0,0,0|1,0,2]=4 5603 B12R0.234 C#CCCCCCCSCC(C)O 62a_100012276617_100011218427 [0,1,0,0,0,0|1,0,2]=4 5604 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100009817552_100012276617 [0,1,0,0,0,0|1,0,2]=4 5605 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100012276617_100009817552 [0,1,0,0,0,0|1,0,2]=4 5606 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,1,0,0,0,0|1,0,2]=4 5607 B12R0.234 C#CCCCCCOCCC(=C)Br 34a_100009813270_100012094781 [0,1,0,0,0,0|2,0,1]=4 5608 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000764851_100012094781 [0,1,0,0,0,0|2,0,1]=4 5609 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000766912_100000730704 [0,1,0,0,0,0|2,0,1]=4 5610 B12R0.234 C#CCCCCCOCCC(=C)C 7a_100000766912_100000730704 [0,1,0,0,0,0|2,0,1]=4 5611 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,1,0,0,0,0|1,0,2]=4 5612 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,1,0,0,0,0|1,0,2]=4 5613 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100000730704_100012094781 [0,1,0,0,0,0|2,0,1]=4 5614 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100012094781_100000730704 [0,1,0,0,0,0|2,0,1]=4 5615 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,1,0,0,0,0|1,0,2]=4 5616 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,1,0,0,0,0|1,0,2]=4 5617 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,1,0,0,0,0|1,0,2]=4 5618 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,1,0,0,0,0|1,0,2]=4 5619 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,1,0,0,0,0|1,0,2]=4 5620 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,1,0,0,0,0|1,0,2]=4 5621 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,1,0,0,0,0|1,0,2]=4 5622 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,1,0,0,0,0|1,0,2]=4 5623 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,0]=3 5624 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,1,0,0,0,0|2,0,0]=3 5625 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|1,0,0]=2 5626 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,1,0,0,0,0|3,0,0]=4 5627 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,0]=3 5628 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|1,0,0]=2 5629 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|1,0,0]=2 5630 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 5631 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 5632 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 5633 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 5634 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,1,0,0,0,0|3,0,0]=4 5635 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|2,0,0]=3 5636 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|2,0,0]=3 5637 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 5638 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,0]=3 5639 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 5640 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|2,0,0]=3 5641 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|2,0,0]=3 5642 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|2,0,0]=3 5643 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|2,0,0]=3 5644 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|2,0,0]=3 5645 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|2,0,0]=3 5646 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|1,0,0]=2 5647 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 5648 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 5649 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|3,0,0]=4 5650 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 5651 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 5652 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 5653 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100000730704_100009813376 [0,1,0,0,0,0|2,0,1]=4 5654 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100009813376_100000730704 [0,1,0,0,0,0|2,0,1]=4 5655 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,1,0,0,0,0|1,0,2]=4 5656 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,1,0,0,0,0|1,0,2]=4 5657 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,0]=3 5658 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,0]=3 5659 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|2,0,0]=3 5660 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|2,0,0]=3 5661 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|1,0,0]=2 5662 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|1,0,0]=2 5663 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|3,0,0]=4 5664 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|3,0,0]=4 5665 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 5666 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 5667 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|1,0,0]=2 5668 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|1,0,0]=2 5669 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 5670 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 5671 B12R0.234 C=C(C)CNCCCOCCCO 2230a_100011310245_100000748629 [0,1,0,0,0,0|2,0,0]=3 5672 B12R0.234 C=C(C)CNCCCOCCCO 34a_100011310245_100000748629 [0,1,0,0,0,0|2,0,0]=3 5673 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 5674 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 5675 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 5676 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|2,0,0]=3 5677 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 5678 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,0]=3 5679 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|1,0,0]=2 5680 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|3,0,0]=4 5681 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 5682 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 5683 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 5684 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 5685 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,1,0,0,0,0|3,0,0]=4 5686 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,1,0,0,0,0|3,0,0]=4 5687 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 5688 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 5689 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100000748629_100009813337 [0,1,0,0,0,0|2,0,1]=4 5690 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100009813337_100000211660 [0,1,0,0,0,0|2,0,1]=4 5691 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|2,0,0]=3 5692 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|2,0,0]=3 5693 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|1,0,0]=2 5694 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|1,0,0]=2 5695 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|3,0,0]=4 5696 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|3,0,0]=4 5697 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 5698 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 5699 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|1,0,0]=2 5700 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|1,0,0]=2 5701 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 5702 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 5703 B12R0.234 C=C(F)CNCCCOCCCO 2230a_100011310245_100009893438 [0,1,0,0,0,0|2,0,0]=3 5704 B12R0.234 C=C(F)CNCCCOCCCO 34a_100011310245_100009893438 [0,1,0,0,0,0|2,0,0]=3 5705 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|2,0,0]=3 5706 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|2,0,0]=3 5707 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|2,0,0]=3 5708 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|2,0,0]=3 5709 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|2,0,0]=3 5710 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|2,0,0]=3 5711 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|1,0,0]=2 5712 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|3,0,0]=4 5713 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|3,0,0]=4 5714 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|3,0,0]=4 5715 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,1,0,0,0,0|3,0,0]=4 5716 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,1,0,0,0,0|3,0,0]=4 5717 B12R0.234 C=C(F)COCCCOCCCN 34a_100011310245_100009893438 [0,1,0,0,0,0|3,0,0]=4 5718 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,1,0,0,0,0|3,0,0]=4 5719 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,1,0,0,0,0|3,0,0]=4 5720 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,1,0,0,0,0|3,0,0]=4 5721 B12R0.234 C=C(F)CSCCCCCCC#N 62a_100000042424_100009813337 [0,1,0,0,0,0|2,0,1]=4 5722 B12R0.234 C=C(F)CSCCCCCCC#N 62a_100009813337_100000042424 [0,1,0,0,0,0|2,0,1]=4 5723 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|2,0,0]=3 5724 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|2,0,0]=3 5725 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|1,0,0]=2 5726 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|1,0,0]=2 5727 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,1,0,0,0,0|3,0,0]=4 5728 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,1,0,0,0,0|3,0,0]=4 5729 B12R0.234 C=CCCC/C=C/COCC(C)O 34a_200016268473_100011218427 [0,1,0,0,0,0|1,0,2]=4 5730 B12R0.234 C=CCCC/C=C/COCC(C)O 7a_200016268473_100011218427 [0,1,0,0,0,0|1,0,2]=4 5731 B12R0.234 C=CCCC/C=C/COC[C@@H](C)O 34a_200016268473_100009817552 [0,1,0,0,0,0|1,0,2]=4 5732 B12R0.234 C=CCCC/C=C/COC[C@@H](C)O 7a_200016268473_100009817552 [0,1,0,0,0,0|1,0,2]=4 5733 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|0,0,2]=3 5734 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|0,0,2]=3 5735 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|0,0,2]=3 5736 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 5737 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 5738 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,1,0,0,0,0|2,0,0]=3 5739 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|2,0,0]=3 5741 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|2,0,0]=3 5742 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|2,0,0]=3 5743 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,1,0,0,0,0|2,0,0]=3 5744 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,1,0,0,0,0|2,0,0]=3 5745 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,2]=4 5746 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|1,0,1]=3 5747 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,1,0,0,0,0|2,0,0]=3 5748 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,1,0,0,0,0|2,0,0]=3 5749 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,1,0,0,0,0|1,0,0]=2 5750 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,1,0,0,0,0|1,0,0]=2 5751 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,1,0,0,0,0|2,0,0]=3 5752 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|2,0,1]=4 5753 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|2,0,1]=4 5754 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|2,0,1]=4 5755 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200010262243_100011215473 [0,1,0,0,0,0|2,0,1]=4 5756 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200011216477_100009893438 [0,1,0,0,0,0|2,0,1]=4 5757 B12R0.234 C=CCCCCCCOCC(=C)F 7a_200011216477_100000042424 [0,1,0,0,0,0|2,0,1]=4 5758 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|1,0,2]=4 5759 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 5760 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 5761 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|1,0,2]=4 5762 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,1,0,0,0,0|2,0,0]=3 5763 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,1,0,0,0,0|2,0,0]=3 5764 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,1,0,0,0,0|2,0,0]=3 5765 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,1,0,0,0,0|2,0,0]=3 5766 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,1,0,0,0,0|2,0,0]=3 5767 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,1,0,0,0,0|1,0,0]=2 5768 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,1,0,0,0,0|1,0,0]=2 5769 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,1,0,0,0,0|2,0,0]=3 5770 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,1,0,0,0,0|2,0,0]=3 5771 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,1,0,0,0,0|2,0,0]=3 5772 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,1,0,0,0,0|2,0,0]=3 5773 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,1,0,0,0,0|2,0,0]=3 5774 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,1,0,0,0,0|1,0,0]=2 5775 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,1,0,0,0,0|1,0,0]=2 5776 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] 34a_200011216477_100000761209 [0,1,0,0,0,0|2,0,1]=4 5777 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,1,0,0,0,0|2,0,1]=4 5778 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,1,0,0,0,0|2,0,1]=4 5779 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100000042424_100011215473 [0,1,0,0,0,0|2,0,1]=4 5780 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100011215473_100000042424 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,2]=4 5782 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,2]=4 5783 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|1,0,2]=4 5784 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|1,0,2]=4 5785 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,1,0,0,0,0|2,0,0]=3 5786 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,1,0,0,0,0|2,0,0]=3 5787 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,1,0,0,0,0|1,0,0]=2 5788 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,1,0,0,0,0|1,0,0]=2 5789 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,1,0,0,0,0|2,0,0]=3 5790 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,1,0,0,0,0|2,0,0]=3 5791 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,1,0,0,0,0|1,0,0]=2 5792 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,1,0,0,0,0|1,0,0]=2 5793 B12R0.234 C=CCCCCCCSC[N+](=O)[O-] 62a_100011215473_100000761209 [0,1,0,0,0,0|2,0,1]=4 5794 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,1,0,0,0,0|1,0,0]=2 5795 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,1,0,0,0,0|2,0,1]=4 5796 B12R0.234 C=CCCCCCOCCC(=C)Br 34a_100009813270_100000700193 [0,1,0,0,0,0|2,0,1]=4 5797 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,1,0,0,0,0|2,0,1]=4 5798 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,1,0,0,0,0|2,0,1]=4 5799 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,1,0,0,0,0|2,0,1]=4 5800 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 5801 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 5802 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,2]=4 5803 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 5804 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,2]=4 5805 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 5806 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,2]=4 5807 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,1,0,0,0,0|2,0,0]=3 5808 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,1,0,0,0,0|2,0,0]=3 5809 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,1,0,0,0,0|2,0,0]=3 5810 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,1,0,0,0,0|2,0,0]=3 5811 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,1,0,0,0,0|2,0,0]=3 5812 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,1,0,0,0,0|1,0,0]=2 5813 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,1,0,0,0,0|1,0,0]=2 5814 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,1,0,0,0,0|2,0,0]=3 5815 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,1,0,0,0,0|3,0,0]=4 5816 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,1,0,0,0,0|2,0,0]=3 5817 B12R0.234 C=CCCCCCOCOC(C)C 34a_100011216702_100000709892 [0,1,0,0,0,0|3,0,0]=4 5818 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,1,0,0,0,0|2,0,1]=4 5819 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,1,0,0,0,0|2,0,1]=4 5820 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,2]=4 5821 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,2]=4 5822 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,2]=4 5823 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,2]=4 5824 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,1,0,0,0,0|2,0,0]=3 5825 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,1,0,0,0,0|2,0,0]=3 5826 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,1,0,0,0,0|1,0,0]=2 5827 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,1,0,0,0,0|1,0,0]=2 5828 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,1,0,0,0,0|3,0,0]=4 5829 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000700193_100000709892 [0,1,0,0,0,0|3,0,0]=4 5830 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000709892_100000700193 [0,1,0,0,0,0|3,0,0]=4 5831 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,2]=4 5832 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,2]=4 5833 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,2]=4 5834 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,1,0,0,0,0|2,0,0]=3 5835 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,1,0,0,0,0|2,0,0]=3 5836 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,1,0,0,0,0|2,0,0]=3 5837 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,1,0,0,0,0|2,0,0]=3 5838 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,1,0,0,0,0|1,0,0]=2 5839 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,1,0,0,0,0|1,0,0]=2 5840 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,1,0,0,0,0|2,0,1]=4 5841 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000701111_100011215482 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000703577_100000211751 [0,1,0,0,0,0|3,0,0]=4 5843 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000701111_100011215482 [0,1,0,0,0,0|3,0,0]=4 5844 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000703577_100000211751 [0,1,0,0,0,0|3,0,0]=4 5845 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000703577_100000730970 [0,1,0,0,0,0|3,0,0]=4 5846 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000731138_100011215482 [0,1,0,0,0,0|3,0,0]=4 5847 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000703577_100000730970 [0,1,0,0,0,0|3,0,0]=4 5848 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000731138_100011215482 [0,1,0,0,0,0|3,0,0]=4 5849 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 5850 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,2]=4 5851 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 5852 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,2]=4 5853 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 5854 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 5855 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,1,0,0,0,0|2,0,0]=3 5856 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,1,0,0,0,0|2,0,0]=3 5857 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,1,0,0,0,0|2,0,0]=3 5858 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,1,0,0,0,0|2,0,0]=3 5859 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,1,0,0,0,0|1,0,0]=2 5860 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,1,0,0,0,0|1,0,0]=2 5861 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,1,0,0,0,0|3,0,0]=4 5862 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215482 [0,1,0,0,0,0|2,0,1]=4 5863 B12R0.234 C=CCCCCOCCNC(C)C 34a_100000224655_100011215482 [0,1,0,0,0,0|3,0,0]=4 5864 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000211219_100011215482 [0,1,0,0,0,0|3,0,0]=4 5865 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000766645_100000211751 [0,1,0,0,0,0|3,0,0]=4 5866 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000211219_100011215482 [0,1,0,0,0,0|3,0,0]=4 5867 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000766645_100000211751 [0,1,0,0,0,0|3,0,0]=4 5868 B12R0.234 C=CCCCCOCCSC(C)C 34a_100000766645_100000730970 [0,1,0,0,0,0|3,0,0]=4 5869 B12R0.234 C=CCCCCOCCSC(C)C 34a_200011212901_100011215482 [0,1,0,0,0,0|3,0,0]=4 5870 B12R0.234 C=CCCCCOCCSC(C)C 7a_100000766645_100000730970 [0,1,0,0,0,0|3,0,0]=4 5871 B12R0.234 C=CCCCCOCCSC(C)C 7a_200011212901_100011215482 [0,1,0,0,0,0|3,0,0]=4 5872 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,2]=4 5873 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,2]=4 5874 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,2]=4 5875 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,2]=4 5876 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,1,0,0,0,0|2,0,0]=3 5877 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,1,0,0,0,0|2,0,0]=3 5878 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,1,0,0,0,0|1,0,0]=2 5879 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,1,0,0,0,0|1,0,0]=2 5880 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,1,0,0,0,0|3,0,0]=4 5881 B12R0.234 C=CCCCCSCCOC(C)C 62a_100000211751_100011215482 [0,1,0,0,0,0|3,0,0]=4 5882 B12R0.234 C=CCCCCSCCOC(C)C 62a_100011215482_100000211751 [0,1,0,0,0,0|3,0,0]=4 5883 B12R0.234 C=CCCCCSCCSC(C)C 62a_100000730970_100011215482 [0,1,0,0,0,0|3,0,0]=4 5884 B12R0.234 C=CCCCCSCCSC(C)C 62a_100011215482_100000730970 [0,1,0,0,0,0|3,0,0]=4 5885 B12R0.234 C=CCCCNCCCCB(O)O 2230a_100000700776_200009817182 [0,1,0,0,0,0|2,0,0]=3 5886 B12R0.234 C=CCCCNCCCCB(O)O 34a_100000700776_200009817182 [0,1,0,0,0,0|2,0,0]=3 5887 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,2]=4 5888 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,2]=4 5889 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,1,0,0,0,0|2,0,0]=3 5890 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,1,0,0,0,0|2,0,0]=3 5891 B12R0.234 C=CCCCNCCCOC(C)C 2230a_100000737246_100011713584 [0,1,0,0,0,0|3,0,0]=4 5892 B12R0.234 C=CCCCNCCCOC(C)C 34a_100000737246_100000757094 [0,1,0,0,0,0|3,0,0]=4 5893 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,1,0,0,0,0|2,0,1]=4 5894 B12R0.234 C=CCCCNCCOCC(F)F 2230a_100000700776_200012177212 [0,1,0,0,0,0|3,0,0]=4 5895 B12R0.234 C=CCCCNCCOCC(F)F 34a_100000700776_200012177212 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.234 C=CCCCOCCCCB(O)O 34a_100000758997_200009817182 [0,1,0,0,0,0|2,0,0]=3 5897 B12R0.234 C=CCCCOCCCCB(O)O 7a_100000758997_200009817182 [0,1,0,0,0,0|2,0,0]=3 5898 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,2]=4 5899 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,2]=4 5900 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 5901 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 5902 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,1,0,0,0,0|2,0,0]=3 5903 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,1,0,0,0,0|2,0,0]=3 5904 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,1,0,0,0,0|2,0,0]=3 5905 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,1,0,0,0,0|2,0,0]=3 5906 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757094 [0,1,0,0,0,0|2,0,1]=4 5907 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757094 [0,1,0,0,0,0|2,0,1]=4 5908 B12R0.234 C=CCCCOCCCNC(C)C 34a_100000182298_100000757094 [0,1,0,0,0,0|3,0,0]=4 5909 B12R0.234 C=CCCCOCCNCC(C)C 34a_100015185251_100000757094 [0,1,0,0,0,0|3,0,0]=4 5910 B12R0.234 C=CCCCOCCOCC(C)C 34a_100000703358_100000757094 [0,1,0,0,0,0|3,0,0]=4 5911 B12R0.234 C=CCCCOCCOCC(C)C 7a_100000703358_100000757094 [0,1,0,0,0,0|3,0,0]=4 5912 B12R0.234 C=CCCCOCCOCC(F)F 34a_100000704375_100000757094 [0,1,0,0,0,0|3,0,0]=4 5913 B12R0.234 C=CCCCOCCOCC(F)F 34a_100000758997_200012177212 [0,1,0,0,0,0|3,0,0]=4 5914 B12R0.234 C=CCCCOCCOCC(F)F 7a_100000704375_100000757094 [0,1,0,0,0,0|3,0,0]=4 5915 B12R0.234 C=CCCCOCCOCC(F)F 7a_100000758997_200012177212 [0,1,0,0,0,0|3,0,0]=4 5916 B12R0.234 C=CCCCOCCSCC(C)C 34a_200000230437_100000757094 [0,1,0,0,0,0|3,0,0]=4 5917 B12R0.234 C=CCCCOCCSCC(C)C 7a_200000230437_100000757094 [0,1,0,0,0,0|3,0,0]=4 5918 B12R0.234 C=CCCCSCCCCB(O)O 62a_100011713584_200009817182 [0,1,0,0,0,0|2,0,0]=3 5919 B12R0.234 C=CCCCSCCCCB(O)O 62a_200009817182_100000757094 [0,1,0,0,0,0|2,0,0]=3 5920 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,2]=4 5921 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,2]=4 5922 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,1,0,0,0,0|2,0,0]=3 5923 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,1,0,0,0,0|2,0,0]=3 5924 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,1,0,0,0,0|3,0,0]=4 5925 B12R0.234 C=CCCCSCCOCC(F)F 62a_100011713584_200012177212 [0,1,0,0,0,0|3,0,0]=4 5926 B12R0.234 C=CCCCSCCOCC(F)F 62a_200012177212_100000757094 [0,1,0,0,0,0|3,0,0]=4 5927 B12R0.234 C=CCCNCCCCCB(O)O 2230a_100015191253_200009817188 [0,1,0,0,0,0|2,0,0]=3 5928 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,2]=4 5929 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,1,0,0,0,0|2,0,0]=3 5930 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,1,0,0,0,0|2,0,0]=3 5931 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,1,0,0,0,0|2,0,0]=3 5932 B12R0.234 C=CCCNCCCOCC(C)C 2230a_100000205972_100000754431 [0,1,0,0,0,0|3,0,0]=4 5933 B12R0.234 C=CCCNCCCOCC(C)C 34a_100000205972_100000754431 [0,1,0,0,0,0|3,0,0]=4 5934 B12R0.234 C=CCCOCCCCCB(O)O 34a_100011205117_200009817188 [0,1,0,0,0,0|2,0,0]=3 5935 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 5936 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,2]=4 5937 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 5938 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|1,0,2]=4 5939 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,1,0,0,0,0|2,0,0]=3 5940 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,1,0,0,0,0|2,0,0]=3 5941 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,1,0,0,0,0|2,0,0]=3 5942 B12R0.234 C=CCCOCCCCNC(C)C 34a_100011521146_100000754431 [0,1,0,0,0,0|3,0,0]=4 5943 B12R0.234 C=CCCSCCCCCB(O)O 62a_100000754431_200009817188 [0,1,0,0,0,0|2,0,0]=3 5944 B12R0.234 C=CCCSCCCCCB(O)O 62a_200009817188_100000754431 [0,1,0,0,0,0|2,0,0]=3 5945 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,2]=4 5946 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,2]=4 5947 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,1,0,0,0,0|2,0,0]=3 5948 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,1,0,0,0,0|2,0,0]=3 5949 B12R0.234 C=CCNCCCCCCB(O)O 2230a_100020586998_100009817187 [0,1,0,0,0,0|2,0,0]=3 5950 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,1,0,0,0,0|2,0,0]=3 5951 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,1,0,0,0,0|2,0,0]=3 5952 B12R0.234 C=CCOCCCCCCB(O)O 34a_200000210373_100009817187 [0,1,0,0,0,0|2,0,0]=3 5953 B12R0.234 C=CCOCCCCCNC(C)C 34a_100011629493_100015514636 [0,1,0,0,0,0|3,0,0]=4 5954 B12R0.234 C=CCOCCOCCCC(C)C 34a_100000037705_100011214892 [0,1,0,0,0,0|3,0,0]=4 5955 B12R0.234 C=CCOCCOCCCC(C)C 7a_100000037705_100011214892 [0,1,0,0,0,0|3,0,0]=4 5956 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,1,0,0,0,0|2,0,0]=3 5957 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,1,0,0,0,0|2,0,0]=3 5958 B12R0.234 C=CCSCCCCCCB(O)O 62a_100000210623_100009817187 [0,1,0,0,0,0|2,0,0]=3 5959 B12R0.234 C=CCSCCCCCCB(O)O 62a_100009817187_100000210623 [0,1,0,0,0,0|2,0,0]=3 5960 B12R0.234 C=COCCCCOCCC(C)C 34a_100000031558_100000210312 [0,1,0,0,0,0|3,0,0]=4 5961 B12R0.234 C=COCCCCOCCC(C)C 7a_100000031558_100000210626 [0,1,0,0,0,0|3,0,0]=4 5962 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,1,0,0,0,0|2,0,0]=3 5963 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,1,0,0,0,0|2,0,0]=3 5964 B12R0.234 C=COCCCNCCCC(C)C 2230a_100000210767_100011214892 [0,1,0,0,0,0|3,0,0]=4 5965 B12R0.234 C=COCCCNCCCC(C)C 34a_100000210767_100011214892 [0,1,0,0,0,0|3,0,0]=4 5966 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [0,1,0,0,0,0|2,0,0]=3 5967 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [0,1,0,0,0,0|2,0,0]=3 5968 B12R0.234 C=COCCOCCCCB(O)O 34a_100000033082_200009817182 [0,1,0,0,0,0|3,0,0]=4 5969 B12R0.234 C=COCCOCCCCC(C)C 34a_100000033082_100011216152 [0,1,0,0,0,0|3,0,0]=4 5970 B12R0.234 C=COCCOCCCCC(C)C 34a_100011214890_100000039644 [0,1,0,0,0,0|3,0,0]=4 5971 B12R0.234 C=COCCOCCCCC(C)C 7a_100011214890_100000039644 [0,1,0,0,0,0|3,0,0]=4 5972 B12R0.234 C=COCCOCCOCC(C)O 34a_100000039918_100011218427 [0,1,0,0,0,0|3,0,0]=4 5973 B12R0.234 C=COCCOCCOCC(C)O 7a_100000039918_100011218427 [0,1,0,0,0,0|3,0,0]=4 5974 B12R0.234 C=COCCOCCOC[C@@H](C)O 34a_100000039918_100009817552 [0,1,0,0,0,0|3,0,0]=4 5975 B12R0.234 C=COCCOCCOC[C@@H](C)O 7a_100000039918_100009817552 [0,1,0,0,0,0|3,0,0]=4 5976 B12R0.234 C=COCCSCCCCB(O)O 62a_100000039644_200009817182 [0,1,0,0,0,0|3,0,0]=4 5977 B12R0.234 C=COCCSCCCCB(O)O 62a_200009817182_100000039644 [0,1,0,0,0,0|3,0,0]=4 5978 B12R0.234 C=COCCSCCCCC(C)C 62a_100000039644_100011216152 [0,1,0,0,0,0|3,0,0]=4 5979 B12R0.234 C=COCCSCCCCC(C)C 62a_100011216152_100000039644 [0,1,0,0,0,0|3,0,0]=4 5980 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,1,0,0,0,0|1,0,2]=4 5981 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,1,0,0,0,0|1,0,2]=4 5982 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,1,0,0,0,0|1,0,2]=4 5983 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,1,0,0,0,0|1,0,2]=4 5984 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,1,0,0,0,0|1,0,2]=4 5985 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,1,0,0,0,0|1,0,2]=4 5986 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,1,0,0,0,0|1,0,2]=4 5987 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,1,0,0,0,0|1,0,2]=4 5988 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,1,0,0,0,0|1,0,2]=4 5989 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,1,0,0,0,0|1,0,2]=4 5990 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,1]=3 5991 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|0,0,1]=2 5992 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|1,0,1]=3 5993 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,1]=4 5994 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,1]=4 5995 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 5996 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,1]=4 5997 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,1]=4 5998 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,1]=4 5999 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 6000 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,1]=4 6001 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,1]=4 6002 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|1,0,1]=3 6003 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|1,0,1]=3 6004 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|1,0,1]=3 6005 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|2,0,1]=4 6006 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,1]=4 6007 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,1]=4 6008 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,1]=4 6009 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 6010 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 6011 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 6012 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,1]=4 6013 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,1]=4 6014 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 6015 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|1,0,1]=3 6016 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|1,0,1]=3 6017 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|2,0,1]=4 6018 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|2,0,1]=4 6019 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,1]=4 6020 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,1]=4 6021 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|1,0,1]=3 6022 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|1,0,1]=3 6023 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|2,0,1]=4 6024 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|2,0,1]=4 6025 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,1]=4 6026 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 6027 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 6028 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,1]=4 6029 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 6030 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|1,0,1]=3 6031 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|1,0,1]=3 6032 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,1]=4 6033 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,1]=4 6034 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|1,0,1]=3 6035 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|1,0,1]=3 6036 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|1,0,1]=3 6037 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|1,0,1]=3 6038 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|2,0,1]=4 6039 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|2,0,1]=4 6040 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|2,0,1]=4 6041 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|2,0,1]=4 6042 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|2,0,1]=4 6043 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|2,0,1]=4 6044 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|2,0,1]=4 6045 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|2,0,1]=4 6046 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|2,0,1]=4 6047 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|2,0,1]=4 6048 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|2,0,1]=4 6049 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|2,0,1]=4 6050 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|2,0,1]=4 6051 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|2,0,1]=4 6052 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|2,0,1]=4 6053 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|2,0,1]=4 6054 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|2,0,1]=4 6055 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|2,0,1]=4 6056 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|2,0,1]=4 6057 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|2,0,1]=4 6058 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|2,0,1]=4 6059 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|2,0,1]=4 6060 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|2,0,1]=4 6061 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|2,0,1]=4 6062 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|2,0,1]=4 6063 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|2,0,1]=4 6064 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|2,0,1]=4 6065 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|2,0,1]=4 6066 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|2,0,1]=4 6067 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|2,0,1]=4 6068 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|2,0,1]=4 6069 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|2,0,1]=4 6070 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|2,0,1]=4 6071 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|2,0,1]=4 6072 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,1,0,0,0,0|2,0,1]=4 6073 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,1,0,0,0,0|2,0,1]=4 6074 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,1,0,0,0,0|2,0,1]=4 6075 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,1,0,0,0,0|2,0,1]=4 6076 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,1,0,0,0,0|1,0,2]=4 6077 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|1,0,2]=4 6078 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,1,0,0,0,0|3,0,0]=4 6079 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,1,0,0,0,0|3,0,0]=4 6080 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,1,0,0,0,0|1,0,2]=4 6081 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,1,0,0,0,0|1,0,2]=4 6082 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 6083 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 6084 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,1,0,0,0,0|1,0,2]=4 6085 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,1,0,0,0,0|1,0,2]=4 6086 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,1,0,0,0,0|1,0,2]=4 6087 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,1,0,0,0,0|1,0,2]=4 6088 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 6089 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 6090 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,1,0,0,0,0|3,0,0]=4 6091 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,1,0,0,0,0|1,0,2]=4 6092 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,1,0,0,0,0|1,0,2]=4 6093 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,1,0,0,0,0|3,0,0]=4 6094 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,1,0,0,0,0|3,0,0]=4 6095 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,1,0,0,0,0|1,0,2]=4 6096 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,1,0,0,0,0|1,0,2]=4 6097 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,1,0,0,0,0|3,0,0]=4 6098 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 6099 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 6100 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 6101 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 6102 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,1,0,0,0,0|3,0,0]=4 6103 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 6104 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 6105 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,1,0,0,0,0|3,0,0]=4 6106 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,1,0,0,0,0|3,0,0]=4 6107 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,1,0,0,0,0|1,0,2]=4 6108 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,1,0,0,0,0|1,0,2]=4 6109 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 6110 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,1,0,0,0,0|1,0,2]=4 6111 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 6112 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,1,0,0,0,0|3,0,0]=4 6113 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 6114 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 6115 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,1,0,0,0,0|3,0,0]=4 6116 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,1,0,0,0,0|3,0,0]=4 6117 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,1,0,0,0,0|1,0,2]=4 6118 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,1,0,0,0,0|1,0,2]=4 6119 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 6120 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,1,0,0,0,0|1,0,2]=4 6121 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,1,0,0,0,0|1,0,2]=4 6122 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 6123 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,1,0,0,0,0|1,0,2]=4 6124 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|1,0,2]=4 6125 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,1,0,0,0,0|1,0,2]=4 6126 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,1,0,0,0,0|1,0,2]=4 6127 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 6128 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 6129 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 6130 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 6131 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|1,0,2]=4 6132 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|1,0,2]=4 6133 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|1,0,2]=4 6134 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|1,0,2]=4 6135 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 6136 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 6137 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 6138 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 6139 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 6140 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 6141 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 6142 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 6143 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,1,0,0,0,0|2,0,1]=4 6144 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,1,0,0,0,0|2,0,1]=4 6145 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,1,0,0,0,0|2,0,1]=4 6146 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,1,0,0,0,0|2,0,0]=3 6147 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,1,0,0,0,0|2,0,0]=3 6148 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,1,0,0,0,0|2,0,1]=4 6149 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,1,0,0,0,0|2,0,1]=4 6150 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 6151 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|1,0,2]=4 6152 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,1,0,0,0,0|2,0,1]=4 6153 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,1,0,0,0,0|2,0,0]=3 6154 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,1,0,0,0,0|2,0,1]=4 6155 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 6156 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|1,0,2]=4 6157 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 6158 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 6159 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 6160 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 6161 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 6162 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 6163 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 6164 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,1,0,0,0,0|2,0,1]=4 6165 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,1,0,0,0,0|2,0,1]=4 6166 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,1,0,0,0,0|2,0,1]=4 6167 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,1,0,0,0,0|2,0,0]=3 6168 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,1,0,0,0,0|2,0,0]=3 6169 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,1,0,0,0,0|2,0,1]=4 6170 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,1,0,0,0,0|2,0,1]=4 6171 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 6172 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|1,0,2]=4 6173 B12R0.234 CC(O)CNCCCCCCC#N 2230a_100000210904_100009813337 [0,1,0,0,0,0|2,0,1]=4 6174 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 6175 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 6176 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 6177 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 6178 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 6179 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 6180 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 6181 B12R0.234 CC(O)CSCCCCCCC#N 62a_100009813337_100011218427 [0,1,0,0,0,0|2,0,1]=4 6182 B12R0.234 CC(O)CSCCCCCCC#N 62a_100011218427_100009813337 [0,1,0,0,0,0|2,0,1]=4 6183 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 6184 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|1,0,2]=4 6185 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,1,0,0,0,0|1,0,2]=4 6186 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,1]=3 6187 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,1]=3 6188 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,1]=3 6189 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|2,0,1]=4 6190 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|2,0,1]=4 6191 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|2,0,1]=4 6192 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|2,0,1]=4 6193 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|2,0,1]=4 6194 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|2,0,1]=4 6195 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|2,0,1]=4 6196 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|2,0,1]=4 6197 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|2,0,1]=4 6198 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|2,0,1]=4 6199 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|3,0,0]=4 6200 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|3,0,0]=4 6201 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|3,0,0]=4 6202 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|3,0,0]=4 6203 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|3,0,0]=4 6204 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 6205 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 6206 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 6207 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 6208 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 6209 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 6210 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|2,0,1]=4 6211 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|2,0,1]=4 6212 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|3,0,0]=4 6213 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|3,0,0]=4 6214 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|2,0,1]=4 6215 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|3,0,0]=4 6216 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|1,0,2]=4 6217 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|1,0,2]=4 6218 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|1,0,2]=4 6219 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|1,0,2]=4 6220 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|3,0,0]=4 6221 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|3,0,0]=4 6222 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|3,0,0]=4 6223 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|3,0,0]=4 6224 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|1,0,2]=4 6225 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|1,0,2]=4 6226 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|1,0,2]=4 6227 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|1,0,2]=4 6228 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|3,0,0]=4 6229 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,2]=4 6230 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,2]=4 6231 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|2,0,1]=4 6232 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|2,0,1]=4 6233 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|2,0,1]=4 6234 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|3,0,0]=4 6235 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|3,0,0]=4 6236 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|3,0,0]=4 6237 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|3,0,0]=4 6238 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 6239 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 6240 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|2,0,1]=4 6241 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|2,0,1]=4 6242 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|3,0,0]=4 6243 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|3,0,0]=4 6244 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,2]=4 6245 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,2]=4 6246 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|3,0,0]=4 6247 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,2]=4 6248 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|2,0,1]=4 6249 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|2,0,1]=4 6250 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|2,0,1]=4 6251 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|2,0,1]=4 6252 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|3,0,0]=4 6253 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|3,0,0]=4 6254 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 6255 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 6256 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|2,0,1]=4 6257 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|2,0,1]=4 6258 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|3,0,0]=4 6259 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|3,0,0]=4 6260 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,2]=4 6261 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,2]=4 6262 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|3,0,0]=4 6263 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|2,0,1]=4 6264 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|2,0,1]=4 6265 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|3,0,0]=4 6266 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|3,0,0]=4 6267 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|2,0,1]=4 6268 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|2,0,1]=4 6269 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|3,0,0]=4 6270 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|3,0,0]=4 6271 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|3,0,0]=4 6272 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|3,0,0]=4 6273 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|3,0,0]=4 6274 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|3,0,0]=4 6275 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|3,0,0]=4 6276 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|3,0,0]=4 6277 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|3,0,0]=4 6278 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|1,0,1]=3 6279 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|1,0,1]=3 6280 B12R0.234 CN(C)CCCCSCCCCO 62a_100000210776_100000690147 [0,1,0,0,0,0|2,0,1]=4 6281 B12R0.234 CN(C)CCCSCCCCCO 62a_100000746330_100000757444 [0,1,0,0,0,0|2,0,1]=4 6282 B12R0.234 CN(C)CCSCCCCCCO 62a_100000766143_100000755713 [0,1,0,0,0,0|2,0,1]=4 6283 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|2,0,1]=4 6284 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 6285 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 6286 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 6287 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 6288 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 6289 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 6290 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|2,0,1]=4 6291 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|2,0,1]=4 6292 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|2,0,1]=4 6293 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|2,0,1]=4 6294 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|2,0,1]=4 6295 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|2,0,1]=4 6296 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,1,0,0,0,0|2,0,1]=4 6297 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,1,0,0,0,0|2,0,1]=4 6298 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,1,0,0,0,0|2,0,1]=4 6299 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|2,0,1]=4 6300 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,1,0,0,0,0|2,0,1]=4 6301 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,1,0,0,0,0|2,0,1]=4 6302 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|1,0,2]=4 6303 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|1,0,2]=4 6304 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|1,0,2]=4 6305 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 6306 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 6307 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 6308 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 6309 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 6310 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100009817552 [0,1,0,0,0,0|2,0,1]=4 6311 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009817552_100009813337 [0,1,0,0,0,0|2,0,1]=4 6312 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 6313 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|1,0,2]=4 6314 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|3,0,0]=4 6315 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|3,0,0]=4 6316 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|3,0,0]=4 6317 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|3,0,0]=4 6318 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|3,0,0]=4 6319 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|3,0,0]=4 6320 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,0]=3 6322 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,0]=3 6323 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|3,0,0]=4 6324 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|3,0,0]=4 6325 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,0]=3 6326 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,0]=3 6327 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|3,0,0]=4 6328 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,0]=3 6329 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|3,0,0]=4 6330 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|3,0,0]=4 6331 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,0]=3 6332 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,0]=3 6333 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|3,0,0]=4 6334 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,0]=3 6335 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 6336 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 6337 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,1,0,0,0,0|3,0,0]=4 6338 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|3,0,0]=4 6339 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|3,0,0]=4 6340 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|3,0,0]=4 6341 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|3,0,0]=4 6342 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|3,0,0]=4 6343 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|3,0,0]=4 6344 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|3,0,0]=4 6345 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|3,0,0]=4 6346 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 6347 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,0]=3 6348 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 6349 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,1,0,0,0,0|3,0,0]=4 6350 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,0]=3 6351 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 6352 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|3,0,0]=4 6353 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|3,0,0]=4 6354 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|3,0,0]=4 6355 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|3,0,0]=4 6356 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|3,0,0]=4 6357 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|3,0,0]=4 6358 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|3,0,0]=4 6359 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|3,0,0]=4 6360 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 6361 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 6362 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|3,0,0]=4 6363 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|3,0,0]=4 6364 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,0]=3 6365 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 6366 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,0]=3 6367 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,0]=3 6368 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 6369 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,1,0,0,0,0|3,0,0]=4 6370 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 6371 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|3,0,0]=4 6372 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|3,0,0]=4 6373 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 6374 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 6375 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,1,0,0,0,0|3,0,0]=4 6376 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 6377 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,0]=3 6378 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,0]=3 6379 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,1,0,0,0,0|3,0,0]=4 6380 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,1,0,0,0,0|3,0,0]=4 6381 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,1,0,0,0,0|3,0,0]=4 6382 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 6383 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,1,0,0,0,0|3,0,0]=4 6384 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 6385 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,1,0,0,0,0|3,0,0]=4 6386 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 6387 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,1,0,0,0,0|3,0,0]=4 6388 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|3,0,0]=4 6389 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|3,0,0]=4 6390 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|3,0,0]=4 6391 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|3,0,0]=4 6392 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|3,0,0]=4 6393 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|2,0,0]=3 6394 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|3,0,0]=4 6395 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|3,0,0]=4 6396 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|3,0,0]=4 6397 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 6398 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 6399 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 6400 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|3,0,0]=4 6401 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 6402 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,0,0]=3 6403 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,1,0,0,0,0|3,0,0]=4 6404 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,1,0,0,0,0|3,0,0]=4 6405 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,1,0,0,0,0|3,0,0]=4 6406 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,1,0,0,0,0|3,0,0]=4 6407 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,1,0,0,0,0|3,0,0]=4 6408 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,1,0,0,0,0|3,0,0]=4 6409 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,1,0,0,0,0|3,0,0]=4 6410 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 6411 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 6412 B12R0.234 OCCCCCCCNCC(F)F 2230a_100011996573_100011934356 [0,1,0,0,0,0|2,0,1]=4 6413 B12R0.234 OCCCCCCCNCC(F)F 34a_100000765723_100000760002 [0,1,0,0,0,0|2,0,1]=4 6414 B12R0.234 OCCCCCCCNCC(F)F 34a_100011996573_100011934356 [0,1,0,0,0,0|2,0,1]=4 6415 B12R0.234 OCCCCCCCOCC(F)F 34a_100000743014_100000760002 [0,1,0,0,0,0|2,0,1]=4 6416 B12R0.234 OCCCCCCCSCC(F)F 62a_100000760002_100011934356 [0,1,0,0,0,0|2,0,1]=4 6417 B12R0.234 OCCCCCCCSCC(F)F 62a_100011934356_100000760002 [0,1,0,0,0,0|2,0,1]=4 6418 B12R0.234 OCCCCCCOCCC(F)F 34a_100103093639_100000766143 [0,1,0,0,0,0|2,0,1]=4 6419 B12R0.234 OCCCCCNCCC=C(F)F 2230a_100000762737_200009816681 [0,1,0,0,0,0|2,0,1]=4 6420 B12R0.234 OCCCCCNCCC=C(F)F 34a_100000762737_200009816681 [0,1,0,0,0,0|2,0,1]=4 6421 B12R0.234 OCCCCCSCCC=C(F)F 62a_100000746330_200009816681 [0,1,0,0,0,0|2,0,1]=4 6422 B12R0.234 OCCCCCSCCC=C(F)F 62a_200009816681_100000746330 [0,1,0,0,0,0|2,0,1]=4 6423 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,1,0,0,0,0|3,0,0]=4 6424 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,1,0,0,0,0|3,0,0]=4 6425 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,1,0,0,0,0|3,0,0]=4 6426 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,1,0,0,0,0|3,0,0]=4 6427 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,1,0,0,0,0|3,0,0]=4 6428 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,1,0,0,0,0|3,0,0]=4 6429 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,1,0,0,0,0|3,0,0]=4 6430 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,1,0,0,0,0|3,0,0]=4 6431 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,1,0,0,0,0|3,0,0]=4 6432 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,1,0,0,0,0|3,0,0]=4 6433 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,1]=3 6434 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|1,0,2]=4 6435 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|0,0,3]=4 6436 B12R0.248 C#CC(C)NCCCCCCC=C 2230a_100000707721_100011215473 [0,1,0,0,0,0|2,0,1]=4 6437 B12R0.248 C#CC(C)NCCCCCCC=C 34a_100000707721_100011215473 [0,1,0,0,0,0|2,0,1]=4 6438 B12R0.248 C#CC(C)NCCCCCCCO 2230a_100000707721_100000760002 [0,1,0,0,0,0|1,0,2]=4 6439 B12R0.248 C#CC(C)NCCCCCCCO 34a_100000707721_100000760002 [0,1,0,0,0,0|1,0,2]=4 6440 B12R0.248 C#CC(C)NCCCCCCCO 34a_100011996573_200000035995 [0,1,0,0,0,0|1,0,2]=4 6441 B12R0.248 C#CC(C)OCCCCCCC=C 34a_200011216477_200000035995 [0,1,0,0,0,0|2,0,1]=4 6442 B12R0.248 C#CC(C)SCCCCCCC=C 62a_200000035995_100011215473 [0,1,0,0,0,0|2,0,1]=4 6443 B12R0.248 C#CC(C)SCCCCCCCO 62a_200000035995_100000760002 [0,1,0,0,0,0|1,0,2]=4 6444 B12R0.248 C#CC(O)CCCCCNCC=C 2230a_100020586998_200010408556 [0,1,0,0,0,0|2,0,1]=4 6445 B12R0.248 C#CC(O)CCCCCNCCO 2230a_100016997473_200010408556 [0,1,0,0,0,0|1,0,2]=4 6446 B12R0.248 C#CC(O)CCCCCNCCO 34a_100016990907_200010408556 [0,1,0,0,0,0|1,0,2]=4 6447 B12R0.248 C#CC(O)CCCCCOCC=C 34a_200000210373_200010408556 [0,1,0,0,0,0|2,0,1]=4 6448 B12R0.248 C#CC(O)CCCCCSCC=C 62a_100000210623_200010408556 [0,1,0,0,0,0|2,0,1]=4 6449 B12R0.248 C#CC(O)CCCCCSCC=C 62a_200010408556_100000210623 [0,1,0,0,0,0|2,0,1]=4 6450 B12R0.248 C#CC(O)CCCCCSCCO 62a_100000211926_200010408556 [0,1,0,0,0,0|1,0,2]=4 6451 B12R0.248 C#CC(O)CCCCCSCCO 62a_200010408556_100000211926 [0,1,0,0,0,0|1,0,2]=4 6452 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|1,0,2]=4 6453 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,3]=4 6454 B12R0.248 C#CCCCCCCN[C@H](C)CO 2230a_100000737577_100012276617 [0,1,0,0,0,0|1,0,2]=4 6455 B12R0.248 C#CCCCCCCOC(C)C=C 34a_100000695699_100012276617 [0,1,0,0,0,0|2,0,1]=4 6456 B12R0.248 C#CCCCCCCOC(C)CO 34a_100011217361_100012180447 [0,1,0,0,0,0|1,0,2]=4 6457 B12R0.248 C#CCCCCCCOC(C)CO 7a_100011217361_100012180447 [0,1,0,0,0,0|1,0,2]=4 6458 B12R0.248 C#CCCCCCCSC(C)C=C 62a_100011215867_100012276617 [0,1,0,0,0,0|2,0,1]=4 6459 B12R0.248 C#CCCCCCCSC(C)CO 62a_100012180447_100012276617 [0,1,0,0,0,0|1,0,2]=4 6460 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100012276617_100016084084 [0,1,0,0,0,0|1,0,2]=4 6461 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100016084084_100012276617 [0,1,0,0,0,0|1,0,2]=4 6462 B12R0.248 C#CCCCCCNCC(C)CO 34a_100000744482_100012094781 [0,1,0,0,0,0|1,0,2]=4 6463 B12R0.248 C#CCCCCCNC[C@@H](F)CO 34a_100015665980_100012094781 [0,1,0,0,0,0|1,0,2]=4 6464 B12R0.248 C#CCCCCCNC[C@H](O)CO 2230a_100020644852_100012094781 [0,1,0,0,0,0|1,0,2]=4 6465 B12R0.248 C#CCCCCCOCC(C)C=C 34a_100011215527_100012094781 [0,1,0,0,0,0|2,0,1]=4 6466 B12R0.248 C#CCCCCCOCC(C)C=C 7a_100011215527_100012094781 [0,1,0,0,0,0|2,0,1]=4 6467 B12R0.248 C#CCCCCCOCC(O)C=C 34a_100000766912_100000730141 [0,1,0,0,0,0|2,0,1]=4 6468 B12R0.248 C#CCCCCCOCC(O)C=C 7a_100000766912_100000730141 [0,1,0,0,0,0|2,0,1]=4 6469 B12R0.248 C#CCCCCCOCC(O)CO 34a_100000766912_100011219619 [0,1,0,0,0,0|1,0,2]=4 6470 B12R0.248 C#CCCCCCOCC(O)CO 7a_100000766912_100011219619 [0,1,0,0,0,0|1,0,2]=4 6471 B12R0.248 C#CCCCCCOC[C@@H](C)CO 34a_100000766912_100000059175 [0,1,0,0,0,0|1,0,2]=4 6472 B12R0.248 C#CCCCCCOC[C@@H](C)CO 7a_100000766912_100000059175 [0,1,0,0,0,0|1,0,2]=4 6473 B12R0.248 C#CCCCCCOC[C@@H](N)C=C 34a_100016989147_100012094781 [0,1,0,0,0,0|2,0,1]=4 6474 B12R0.248 C#CCCCCCOC[C@@H](O)CO 34a_100000766912_100009815848 [0,1,0,0,0,0|1,0,2]=4 6475 B12R0.248 C#CCCCCCOC[C@@H](O)CO 7a_100000766912_100009815848 [0,1,0,0,0,0|1,0,2]=4 6476 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100000730141_100012094781 [0,1,0,0,0,0|2,0,1]=4 6477 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100012094781_100000730141 [0,1,0,0,0,0|2,0,1]=4 6478 B12R0.248 C#CCCCCCSCC(O)CO 62a_100011219619_100012094781 [0,1,0,0,0,0|1,0,2]=4 6479 B12R0.248 C#CCCCCCSCC(O)CO 62a_100012094781_100011219619 [0,1,0,0,0,0|1,0,2]=4 6480 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100000059175_100012094781 [0,1,0,0,0,0|1,0,2]=4 6481 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100012094781_100000059175 [0,1,0,0,0,0|1,0,2]=4 6482 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100009815848_100012094781 [0,1,0,0,0,0|1,0,2]=4 6483 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100012094781_100009815848 [0,1,0,0,0,0|1,0,2]=4 6484 B12R0.248 C#CCCCCNCCC(C)CO 2230a_106354213184_100010269958 [0,1,0,0,0,0|1,0,2]=4 6485 B12R0.248 C#CCCCCNCCC(C)CO 34a_106354213184_100010269958 [0,1,0,0,0,0|1,0,2]=4 6486 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 34a_100009815206_100011215473 [0,1,0,0,0,0|2,0,1]=4 6487 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 7a_100009815206_100011215473 [0,1,0,0,0,0|2,0,1]=4 6488 B12R0.248 C#C[C@@H](C)OCCCCCCCO 34a_100009815206_100000760002 [0,1,0,0,0,0|1,0,2]=4 6489 B12R0.248 C#C[C@@H](C)OCCCCCCCO 7a_100009815206_100000760002 [0,1,0,0,0,0|1,0,2]=4 6490 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,1]=3 6491 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|0,0,1]=2 6492 B12R0.248 C=CC(=O)CCOCCOCCO 1458a_100000185746_100000032323 [0,1,0,0,0,0|2,0,1]=4 6493 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|2,0,1]=4 6494 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|2,0,1]=4 6495 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,1,0,0,0,0|1,0,1]=3 6496 B12R0.248 C=CC(=O)NCCCCOCCO 34a_100014118770_100000211926 [0,1,0,0,0,0|2,0,1]=4 6497 B12R0.248 C=CC(=O)NCCCOCCCO 240690a_100011310245_200121576911 [0,1,0,0,0,0|2,0,1]=4 6498 B12R0.248 C=CC(=O)NCCNCCCCO 2230a_114873766552_100000210776 [0,1,0,0,0,0|2,0,1]=4 6499 B12R0.248 C=CC(=O)NCCOCCCCO 34a_100011304386_100011216708 [0,1,0,0,0,0|2,0,1]=4 6500 B12R0.248 C=CC(=O)OCCNCCCCO 2230a_100000750430_100009813456 [0,1,0,0,0,0|2,0,1]=4 6501 B12R0.248 C=CC(=O)OCCNCCCCO 34a_100000750430_100009813456 [0,1,0,0,0,0|2,0,1]=4 6502 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100000210776_100009813456 [0,1,0,0,0,0|2,0,1]=4 6503 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100009813456_100000210776 [0,1,0,0,0,0|2,0,1]=4 6504 B12R0.248 C=CC(C)COCCCCCC#N 7a_100011215527_100009813376 [0,1,0,0,0,0|2,0,1]=4 6505 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [0,1,0,0,0,0|1,0,2]=4 6506 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,1,0,0,0,0|2,0,0]=3 6507 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,1,0,0,0,0|2,0,0]=3 6508 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,1,0,0,0,0|2,0,0]=3 6509 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,1,0,0,0,0|2,0,0]=3 6510 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,1,0,0,0,0|1,0,0]=2 6511 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,1,0,0,0,0|1,0,0]=2 6512 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,1,0,0,0,0|3,0,0]=4 6513 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,1,0,0,0,0|3,0,0]=4 6514 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|2,0,0]=3 6515 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,1,0,0,0,0|1,0,0]=2 6516 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,1,0,0,0,0|3,0,0]=4 6517 B12R0.248 C=CC(C)SCCCCCCC#N 62a_100011215867_100009813337 [0,1,0,0,0,0|2,0,1]=4 6518 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|2,0,0]=3 6519 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,1,0,0,0,0|1,0,0]=2 6520 B12R0.248 C=CC(C)SCCCCCCOC 62a_100011215867_100011998445 [0,1,0,0,0,0|3,0,0]=4 6521 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,1,0,0,0,0|2,0,0]=3 6522 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,1,0,0,0,0|1,0,0]=2 6523 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,1,0,0,0,0|1,0,0]=2 6524 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 6525 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 6526 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,1,0,0,0,0|3,0,0]=4 6527 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,1,0,0,0,0|3,0,0]=4 6528 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,1,0,0,0,0|3,0,0]=4 6529 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,1,0,0,0,0|2,0,0]=3 6530 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,1,0,0,0,0|2,0,0]=3 6531 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,1,0,0,0,0|2,0,0]=3 6532 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,1,0,0,0,0|2,0,0]=3 6533 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,1,0,0,0,0|2,0,0]=3 6534 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,1,0,0,0,0|2,0,0]=3 6535 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,1,0,0,0,0|2,0,0]=3 6536 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,1,0,0,0,0|2,0,0]=3 6537 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,1,0,0,0,0|2,0,0]=3 6538 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,1,0,0,0,0|3,0,0]=4 6539 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,1,0,0,0,0|3,0,0]=4 6540 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,1,0,0,0,0|3,0,0]=4 6541 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,1,0,0,0,0|3,0,0]=4 6542 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,1,0,0,0,0|3,0,0]=4 6543 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100000730141_100009813376 [0,1,0,0,0,0|2,0,1]=4 6544 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100009813376_100000730141 [0,1,0,0,0,0|2,0,1]=4 6545 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [0,1,0,0,0,0|1,0,2]=4 6546 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [0,1,0,0,0,0|1,0,2]=4 6547 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,1,0,0,0,0|2,0,0]=3 6548 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,1,0,0,0,0|2,0,0]=3 6549 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,1,0,0,0,0|2,0,0]=3 6550 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,1,0,0,0,0|2,0,0]=3 6551 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,1,0,0,0,0|1,0,0]=2 6552 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,1,0,0,0,0|1,0,0]=2 6553 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,1,0,0,0,0|3,0,0]=4 6554 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,1,0,0,0,0|3,0,0]=4 6555 B12R0.248 C=CCCC/C=C/COC(C)CO 34a_200016268473_100012180447 [0,1,0,0,0,0|1,0,2]=4 6556 B12R0.248 C=CCCC/C=C/COC(C)CO 7a_200016268473_100012180447 [0,1,0,0,0,0|1,0,2]=4 6557 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|1,0,2]=4 6558 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,1]=3 6559 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,1]=3 6560 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|1,0,1]=3 6561 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,1]=2 6562 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|2,0,1]=4 6563 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 6564 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 6565 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 6566 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,1,0,0,0,0|2,0,0]=3 6567 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,1,0,0,0,0|2,0,0]=3 6568 B12R0.248 C=CCCCCCCNC(C)C#N 2230a_100000737613_100011215473 [0,1,0,0,0,0|2,0,1]=4 6569 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,1,0,0,0,0|2,0,0]=3 6570 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,1,0,0,0,0|1,0,0]=2 6571 B12R0.248 C=CCCCCCCOC(C)C#N 34a_100011218135_100011215473 [0,1,0,0,0,0|2,0,1]=4 6572 B12R0.248 C=CCCCCCCOC(C)C#N 7a_200011216477_100000703298 [0,1,0,0,0,0|2,0,1]=4 6573 B12R0.248 C=CCCCCCCOC(C)C=C 34a_100000695699_100011215473 [0,1,0,0,0,0|2,0,1]=4 6574 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,1,0,0,0,0|2,0,0]=3 6575 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,1,0,0,0,0|2,0,0]=3 6576 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,1,0,0,0,0|2,0,0]=3 6577 B12R0.248 C=CCCCCCCOC(C)CF 34a_100016041109_100011215473 [0,1,0,0,0,0|2,0,0]=3 6578 B12R0.248 C=CCCCCCCOC(C)CF 7a_100016041109_100011215473 [0,1,0,0,0,0|2,0,0]=3 6579 B12R0.248 C=CCCCCCCOC(C)CN 34a_100000210904_100011215473 [0,1,0,0,0,0|2,0,0]=3 6580 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,1,0,0,0,0|1,0,0]=2 6581 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,1,0,0,0,0|1,0,0]=2 6582 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100000703298_100011215473 [0,1,0,0,0,0|2,0,1]=4 6583 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100011215473_100000703298 [0,1,0,0,0,0|2,0,1]=4 6584 B12R0.248 C=CCCCCCCSC(C)C=C 62a_100011215867_100011215473 [0,1,0,0,0,0|2,0,1]=4 6585 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,1,0,0,0,0|2,0,0]=3 6586 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,1,0,0,0,0|2,0,0]=3 6587 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,1,0,0,0,0|1,0,0]=2 6588 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [0,1,0,0,0,0|3,0,0]=4 6589 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [0,1,0,0,0,0|3,0,0]=4 6590 B12R0.248 C=CCCCCCCSC(F)C#N 62a_100011215473_200000117898 [0,1,0,0,0,0|2,0,1]=4 6591 B12R0.248 C=CCCCCCCSC(F)C#N 62a_200000117898_100011215473 [0,1,0,0,0,0|2,0,1]=4 6592 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,1,0,0,0,0|1,0,0]=2 6593 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,1,0,0,0,0|1,0,0]=2 6594 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,1,0,0,0,0|2,0,0]=3 6595 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,1,0,0,0,0|1,0,0]=2 6596 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,1,0,0,0,0|2,0,0]=3 6597 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [0,1,0,0,0,0|3,0,0]=4 6598 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,1,0,0,0,0|1,0,0]=2 6599 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,1,0,0,0,0|1,0,0]=2 6600 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,1,0,0,0,0|2,0,1]=4 6601 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,1,0,0,0,0|2,0,1]=4 6602 B12R0.248 C=CCCCCCOCC(C)C=C 34a_100011215527_100000700193 [0,1,0,0,0,0|2,0,1]=4 6603 B12R0.248 C=CCCCCCOCC(C)C=C 7a_100011215527_100000700193 [0,1,0,0,0,0|2,0,1]=4 6604 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,1,0,0,0,0|2,0,0]=3 6605 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,1,0,0,0,0|2,0,0]=3 6606 B12R0.248 C=CCCCCCOCC(C)CN 34a_100000744482_100000700193 [0,1,0,0,0,0|2,0,0]=3 6607 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,1,0,0,0,0|3,0,0]=4 6608 B12R0.248 C=CCCCCCOCC(Cl)CCl 34a_100000033668_100000700193 [0,1,0,0,0,0|2,0,0]=3 6609 B12R0.248 C=CCCCCCOCC(O)C=C 34a_100011216702_100000730141 [0,1,0,0,0,0|2,0,1]=4 6610 B12R0.248 C=CCCCCCOCC(O)C=C 7a_100011216702_100000730141 [0,1,0,0,0,0|2,0,1]=4 6611 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,1,0,0,0,0|2,0,0]=3 6612 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,1,0,0,0,0|2,0,0]=3 6613 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,1,0,0,0,0|1,0,0]=2 6614 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,1,0,0,0,0|1,0,0]=2 6615 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,1,0,0,0,0|2,0,0]=3 6616 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,1,0,0,0,0|2,0,0]=3 6617 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,1,0,0,0,0|2,0,0]=3 6618 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,1,0,0,0,0|1,0,0]=2 6619 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,1,0,0,0,0|1,0,0]=2 6620 B12R0.248 C=CCCCCCOC[C@@H](N)C=C 34a_100016989147_100000700193 [0,1,0,0,0,0|2,0,1]=4 6621 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,1,0,0,0,0|2,0,0]=3 6622 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,1,0,0,0,0|2,0,0]=3 6623 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,1,0,0,0,0|1,0,0]=2 6624 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,1,0,0,0,0|1,0,0]=2 6625 B12R0.248 C=CCCCCCOC[C@H](F)CN 34a_100015665980_100000700193 [0,1,0,0,0,0|2,0,0]=3 6626 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,1,0,0,0,0|2,0,1]=4 6627 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,1,0,0,0,0|2,0,1]=4 6628 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,1,0,0,0,0|2,0,0]=3 6629 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,1,0,0,0,0|2,0,0]=3 6630 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000700193_100000730141 [0,1,0,0,0,0|2,0,1]=4 6631 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000730141_100000700193 [0,1,0,0,0,0|2,0,1]=4 6632 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,1,0,0,0,0|2,0,0]=3 6633 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,1,0,0,0,0|2,0,0]=3 6634 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,1,0,0,0,0|1,0,0]=2 6635 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,1,0,0,0,0|1,0,0]=2 6636 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,1,0,0,0,0|2,0,0]=3 6637 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,1,0,0,0,0|2,0,0]=3 6638 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,1,0,0,0,0|1,0,0]=2 6639 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,1,0,0,0,0|1,0,0]=2 6640 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,1,0,0,0,0|2,0,0]=3 6641 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,1,0,0,0,0|2,0,0]=3 6642 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,1,0,0,0,0|1,0,0]=2 6643 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,1,0,0,0,0|1,0,0]=2 6644 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,1,0,0,0,0|2,0,0]=3 6645 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,1,0,0,0,0|1,0,0]=2 6646 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,1,0,0,0,0|1,0,0]=2 6647 B12R0.248 C=CCCCCOCCC(=NO)N 34a_100000749954_100011215482 [0,1,0,0,0,0|2,0,1]=4 6648 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,1,0,0,0,0|2,0,0]=3 6649 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,1,0,0,0,0|3,0,0]=4 6650 B12R0.248 C=CCCCNCCCN(C)CC 2230a_100000700776_100015186262 [0,1,0,0,0,0|3,0,0]=4 6651 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,1,0,0,0,0|2,0,0]=3 6652 B12R0.248 C=CCCCOCCCN(C)CC 7a_100000758997_100015186262 [0,1,0,0,0,0|3,0,0]=4 6653 B12R0.248 C=CCCCOCCC[C@@H](C)CN 34a_100160569302_100000757094 [0,1,0,0,0,0|2,0,0]=3 6654 B12R0.248 C=CCCCSCCCN(C)CC 62a_100011713584_100015186262 [0,1,0,0,0,0|3,0,0]=4 6655 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,1,0,0,0,0|2,0,0]=3 6656 B12R0.248 C=COCCCCOCC(C)CC 34a_100000031558_100000748023 [0,1,0,0,0,0|3,0,0]=4 6657 B12R0.248 C=COCCCCOCC(C)CC 7a_100000031558_100000748023 [0,1,0,0,0,0|3,0,0]=4 6658 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [0,1,0,0,0,0|3,0,0]=4 6659 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [0,1,0,0,0,0|3,0,0]=4 6660 B12R0.248 C=COCCCCOCC(O)CO 34a_100000031558_100011219619 [0,1,0,0,0,0|2,0,0]=3 6661 B12R0.248 C=COCCCCOCC(O)CO 7a_100000031558_100011219619 [0,1,0,0,0,0|2,0,0]=3 6662 B12R0.248 C=COCCCCOC[C@@H](C)CC 34a_100000031558_100009816398 [0,1,0,0,0,0|3,0,0]=4 6663 B12R0.248 C=COCCCCOC[C@@H](C)CC 7a_100000031558_100009816398 [0,1,0,0,0,0|3,0,0]=4 6664 B12R0.248 C=COCCCCOC[C@@H](C)CO 34a_100000031558_100000059175 [0,1,0,0,0,0|2,0,0]=3 6665 B12R0.248 C=COCCCCOC[C@@H](C)CO 7a_100000031558_100000059175 [0,1,0,0,0,0|2,0,0]=3 6666 B12R0.248 C=COCCCCOC[C@@H](O)CF 34a_100000031558_100015614560 [0,1,0,0,0,0|3,0,0]=4 6667 B12R0.248 C=COCCCCOC[C@@H](O)CF 7a_100000031558_100015614560 [0,1,0,0,0,0|3,0,0]=4 6668 B12R0.248 C=COCCCCOC[C@@H](O)CO 34a_100000031558_100009815848 [0,1,0,0,0,0|2,0,0]=3 6669 B12R0.248 C=COCCCCOC[C@@H](O)CO 7a_100000031558_100009815848 [0,1,0,0,0,0|2,0,0]=3 6670 B12R0.248 C=COCCOCCCC(C)CC 7a_100011216074_100000039644 [0,1,0,0,0,0|3,0,0]=4 6671 B12R0.248 C=COCCOCCC[C@@H](C)CN 34a_100160569302_100000039644 [0,1,0,0,0,0|3,0,0]=4 6672 B12R0.248 C=COCCOCCOC(C)CO 34a_100000039918_100012180447 [0,1,0,0,0,0|3,0,0]=4 6673 B12R0.248 C=COCCOCCOC(C)CO 7a_100000039918_100012180447 [0,1,0,0,0,0|3,0,0]=4 6674 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,1,0,0,0,0|2,0,0]=3 6675 B12R0.248 C=C[C@H](N)COCCCCCCF 34a_100016989147_100015922095 [0,1,0,0,0,0|2,0,0]=3 6676 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,1,0,0,0,0|1,0,0]=2 6677 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,1,0,0,0,0|3,0,0]=4 6678 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100000737613_100000760002 [0,1,0,0,0,0|2,0,1]=4 6679 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100011996573_100000184139 [0,1,0,0,0,0|2,0,1]=4 6680 B12R0.248 CC(C#N)OCCCCCCCO 34a_100011218135_100000760002 [0,1,0,0,0,0|2,0,1]=4 6681 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000703298_100000760002 [0,1,0,0,0,0|2,0,1]=4 6682 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000760002_100000703298 [0,1,0,0,0,0|2,0,1]=4 6683 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,1,0,0,0,0|2,0,1]=4 6684 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,1,0,0,0,0|2,0,1]=4 6685 B12R0.248 CC(CN)COCCCCCCO 34a_100000744482_100000766143 [0,1,0,0,0,0|2,0,1]=4 6686 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|2,0,1]=4 6687 B12R0.248 CC(CO)CCNCCCCC#N 2230a_106354213184_100000211819 [0,1,0,0,0,0|2,0,1]=4 6688 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,1,0,0,0,0|2,0,0]=3 6689 B12R0.248 CC(CO)CCNCCCCCF 2230a_106354213184_100000729378 [0,1,0,0,0,0|2,0,1]=4 6690 B12R0.248 CC(CO)CCNCCCCCF 34a_106354213184_100000729378 [0,1,0,0,0,0|2,0,1]=4 6691 B12R0.248 CC(CO)CCNCCCCCO 2230a_106354213184_100000746330 [0,1,0,0,0,0|2,0,1]=4 6692 B12R0.248 CC(CO)CCNCCCCCO 34a_106354213184_100000746330 [0,1,0,0,0,0|2,0,1]=4 6693 B12R0.248 CC(CO)CNCCCCCCF 34a_100000744482_100015922095 [0,1,0,0,0,0|2,0,1]=4 6694 B12R0.248 CC(CO)CNCCCCCCO 34a_100000744482_100000766143 [0,1,0,0,0,0|2,0,1]=4 6695 B12R0.248 CC(CO)NCCCCCCCO 2230a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 6696 B12R0.248 CC(CO)NCCCCCCCO 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 6697 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,1,0,0,0,0|2,0,1]=4 6698 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,1,0,0,0,0|2,0,1]=4 6699 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 6700 B12R0.248 CC(CO)SCCCCCCC#N 62a_100012180447_100009813337 [0,1,0,0,0,0|2,0,1]=4 6701 B12R0.248 CC(CO)SCCCCCCCO 62a_100012180447_100000760002 [0,1,0,0,0,0|2,0,1]=4 6702 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|0,0,3]=4 6703 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,1,0,0,0,0|3,0,0]=4 6704 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,1,0,0,0,0|1,0,2]=4 6705 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,1,0,0,0,0|3,0,0]=4 6706 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,1,0,0,0,0|1,0,2]=4 6707 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,1,0,0,0,0|3,0,0]=4 6708 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,1,0,0,0,0|1,0,2]=4 6709 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,1,0,0,0,0|3,0,0]=4 6710 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,1,0,0,0,0|1,0,2]=4 6711 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,1,0,0,0,0|3,0,0]=4 6712 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 6713 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,1,0,0,0,0|1,0,2]=4 6714 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,1,0,0,0,0|1,0,2]=4 6715 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 6716 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,1,0,0,0,0|3,0,0]=4 6717 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,1,0,0,0,0|3,0,0]=4 6718 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,1,0,0,0,0|1,0,2]=4 6719 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,1,0,0,0,0|1,0,2]=4 6720 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,1,0,0,0,0|1,0,2]=4 6721 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,1,0,0,0,0|1,0,2]=4 6722 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,1,0,0,0,0|1,0,2]=4 6723 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,1,0,0,0,0|1,0,2]=4 6724 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,1,0,0,0,0|1,0,2]=4 6725 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,1,0,0,0,0|1,0,2]=4 6726 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,1,0,0,0,0|3,0,0]=4 6727 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 6728 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,1,0,0,0,0|1,0,2]=4 6729 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 6730 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,1,0,0,0,0|3,0,0]=4 6731 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,1,0,0,0,0|3,0,0]=4 6732 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,1,0,0,0,0|1,0,2]=4 6733 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,1,0,0,0,0|1,0,2]=4 6734 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,3]=4 6735 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,1]=4 6736 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|2,0,1]=4 6737 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|2,0,1]=4 6738 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|2,0,1]=4 6739 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|2,0,1]=4 6740 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 6741 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 6742 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,2]=4 6743 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 6744 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 6745 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|1,0,2]=4 6746 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|1,0,2]=4 6747 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|1,0,2]=4 6748 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|1,0,2]=4 6749 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,2]=4 6750 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|1,0,2]=4 6751 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|1,0,2]=4 6752 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,2]=4 6753 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,2]=4 6754 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 6755 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 6756 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 6757 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 6758 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 6759 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 6760 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,2]=4 6761 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,2]=4 6762 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|1,0,2]=4 6763 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|1,0,2]=4 6764 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,2]=4 6765 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,2]=4 6766 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 6767 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 6768 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 6769 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 6770 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 6771 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 6772 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,1,0,0,0,0|3,0,0]=4 6773 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,1,0,0,0,0|1,0,2]=4 6774 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,1,0,0,0,0|3,0,0]=4 6775 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,1,0,0,0,0|3,0,0]=4 6776 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,1,0,0,0,0|1,0,2]=4 6777 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,1,0,0,0,0|1,0,2]=4 6778 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|1,0,2]=4 6779 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,1,0,0,0,0|2,0,1]=4 6780 B12R0.248 CNCCCCCOC[C@@H](C)CO 34a_100000722520_100000059175 [0,1,0,0,0,0|2,0,1]=4 6781 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,1,0,0,0,0|2,0,1]=4 6782 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,1,0,0,0,0|2,0,1]=4 6783 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,1,0,0,0,0|2,0,1]=4 6784 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,1,0,0,0,0|2,0,1]=4 6785 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,1,0,0,0,0|2,0,1]=4 6786 B12R0.248 COCCCCCCN[C@H](C)CO 2230a_100000737577_100011998445 [0,1,0,0,0,0|2,0,1]=4 6787 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,1,0,0,0,0|2,0,1]=4 6788 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,1,0,0,0,0|2,0,1]=4 6789 B12R0.248 COCCCCCCSC(C)CO 62a_100012180447_100011998445 [0,1,0,0,0,0|2,0,1]=4 6790 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100011998445_100016084084 [0,1,0,0,0,0|2,0,1]=4 6791 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100016084084_100011998445 [0,1,0,0,0,0|2,0,1]=4 6792 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [0,1,0,0,0,0|2,0,1]=4 6793 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [0,1,0,0,0,0|2,0,1]=4 6794 B12R0.248 COCCCCCNC[C@@H](C)CO 2230a_100000747528_100000059175 [0,1,0,0,0,0|2,0,1]=4 6795 B12R0.248 COCCCCCNC[C@@H](C)CO 34a_100000747528_100000059175 [0,1,0,0,0,0|2,0,1]=4 6796 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [0,1,0,0,0,0|2,0,1]=4 6797 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [0,1,0,0,0,0|2,0,1]=4 6798 B12R0.248 COCCCCNCCC(C)CO 2230a_106354213184_100000730899 [0,1,0,0,0,0|2,0,1]=4 6799 B12R0.248 COCCCCNCCC(C)CO 34a_106354213184_100000755781 [0,1,0,0,0,0|2,0,1]=4 6800 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,1,0,0,0,0|2,0,1]=4 6801 B12R0.248 C[C@@H](CN)CCCOCCCCO 34a_100160569302_100011216708 [0,1,0,0,0,0|2,0,1]=4 6802 B12R0.248 C[C@@H](CO)CNCCCCCCO 2230a_100000686447_100000059175 [0,1,0,0,0,0|2,0,1]=4 6803 B12R0.248 C[C@@H](CO)CNCCCCCCO 34a_100000686447_100000059175 [0,1,0,0,0,0|2,0,1]=4 6804 B12R0.248 C[C@@H](CO)COCCCCCCBr 34a_100011215345_100000059175 [0,1,0,0,0,0|2,0,1]=4 6805 B12R0.248 C[C@@H](CO)COCCCCCCBr 7a_100011215345_100000059175 [0,1,0,0,0,0|2,0,1]=4 6806 B12R0.248 C[C@@H](CO)COCCCCCCCl 34a_100000766143_100000059175 [0,1,0,0,0,0|2,0,1]=4 6807 B12R0.248 C[C@@H](CO)COCCCCCCCl 7a_100000766143_100000059175 [0,1,0,0,0,0|2,0,1]=4 6808 B12R0.248 C[C@@H](CO)COCCCCCCF 34a_100000732779_100000059175 [0,1,0,0,0,0|2,0,1]=4 6809 B12R0.248 C[C@@H](CO)COCCCCCCF 7a_100000732779_100000059175 [0,1,0,0,0,0|2,0,1]=4 6810 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,1,0,0,0,0|2,0,1]=4 6811 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100000059175_100009813376 [0,1,0,0,0,0|2,0,1]=4 6812 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100009813376_100000059175 [0,1,0,0,0,0|2,0,1]=4 6813 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,1,0,0,0,0|2,0,0]=3 6814 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,1,0,0,0,0|2,0,0]=3 6815 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100000059175_100015922095 [0,1,0,0,0,0|2,0,1]=4 6816 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100015922095_100000059175 [0,1,0,0,0,0|2,0,1]=4 6817 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000059175_100000766143 [0,1,0,0,0,0|2,0,1]=4 6818 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000766143_100000059175 [0,1,0,0,0,0|2,0,1]=4 6819 B12R0.248 C[C@H](CO)NCCCCCCC#N 2230a_100000737577_100009813337 [0,1,0,0,0,0|2,0,1]=4 6820 B12R0.248 C[C@H](CO)NCCCCCCCO 2230a_100000737577_100000760002 [0,1,0,0,0,0|2,0,1]=4 6821 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100009813337_100016084084 [0,1,0,0,0,0|2,0,1]=4 6822 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100016084084_100009813337 [0,1,0,0,0,0|2,0,1]=4 6823 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100000760002_100016084084 [0,1,0,0,0,0|2,0,1]=4 6824 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100016084084_100000760002 [0,1,0,0,0,0|2,0,1]=4 6825 B12R0.248 N#CC(F)SCCCCCCCO 62a_100000760002_200000117898 [0,1,0,0,0,0|2,0,1]=4 6826 B12R0.248 N#CC(F)SCCCCCCCO 62a_200000117898_100000760002 [0,1,0,0,0,0|2,0,1]=4 6827 B12R0.248 N#CCCCCCNC[C@H](O)CO 2230a_100020644852_100009813376 [0,1,0,0,0,0|2,0,1]=4 6828 B12R0.248 N#CCCCCCSCC(O)CO 62a_100009813376_100011219619 [0,1,0,0,0,0|2,0,1]=4 6829 B12R0.248 N#CCCCCCSCC(O)CO 62a_100011219619_100009813376 [0,1,0,0,0,0|2,0,1]=4 6830 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009813376_100009815848 [0,1,0,0,0,0|2,0,1]=4 6831 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009815848_100009813376 [0,1,0,0,0,0|2,0,1]=4 6832 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,1,0,0,0,0|2,0,1]=4 6833 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,1,0,0,0,0|2,0,1]=4 6834 B12R0.248 NC[C@@H](F)COCCCCCCO 34a_100015665980_100000766143 [0,1,0,0,0,0|2,0,1]=4 6835 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,2]=4 6836 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,1,0,0,0,0|2,0,0]=3 6837 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,1,0,0,0,0|2,0,0]=3 6838 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,1,0,0,0,0|2,0,0]=3 6839 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [0,1,0,0,0,0|3,0,0]=4 6840 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [0,1,0,0,0,0|3,0,0]=4 6841 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,1,0,0,0,0|2,0,0]=3 6842 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,1,0,0,0,0|2,0,0]=3 6843 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,1,0,0,0,0|2,0,1]=4 6844 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,1,0,0,0,0|2,0,1]=4 6845 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,1,0,0,0,0|2,0,1]=4 6846 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,1,0,0,0,0|2,0,1]=4 6847 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,1,0,0,0,0|2,0,1]=4 6848 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,1,0,0,0,0|2,0,1]=4 6849 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [0,1,0,0,0,0|2,0,1]=4 6850 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [0,1,0,0,0,0|2,0,1]=4 6851 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [0,1,0,0,0,0|2,0,1]=4 6852 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [0,1,0,0,0,0|2,0,1]=4 6853 B12R0.248 OCCCCCCNC[C@@H](F)CO 34a_100015665980_100000766143 [0,1,0,0,0,0|2,0,1]=4 6854 B12R0.248 OCCCCCCNC[C@@H](O)CF 2230a_100000686447_100015614560 [0,1,0,0,0,0|2,0,1]=4 6855 B12R0.248 OCCCCCCNC[C@@H](O)CF 34a_100000686447_100015614560 [0,1,0,0,0,0|2,0,1]=4 6856 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [0,1,0,0,0,0|2,0,1]=4 6857 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [0,1,0,0,0,0|2,0,1]=4 6858 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [0,1,0,0,0,0|2,0,1]=4 6859 B12R0.248 OCCCCCCOCC(Cl)CCl 34a_100000033668_100000766143 [0,1,0,0,0,0|2,0,1]=4 6860 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [0,1,0,0,0,0|2,0,1]=4 6861 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [0,1,0,0,0,0|2,0,1]=4 6862 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100000766143_100015614560 [0,1,0,0,0,0|2,0,1]=4 6863 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100015614560_100000766143 [0,1,0,0,0,0|2,0,1]=4 6864 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [0,1,0,0,0,0|2,0,1]=4 6865 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [0,1,0,0,0,0|2,0,1]=4 6866 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [0,1,0,0,0,0|2,0,1]=4 6867 B12R0.248 OC[C@H](F)CNCCCCCCF 34a_100015665980_100015922095 [0,1,0,0,0,0|2,0,1]=4 6868 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,1,0,0,0,0|2,0,1]=4 6869 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,1,0,0,0,0|2,0,1]=4 6870 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,1,0,0,0,0|2,0,1]=4 6871 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,1,0,0,0,0|2,0,1]=4 6872 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,1,0,0,0,0|2,0,1]=4 6873 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,1,0,0,0,0|2,0,1]=4 6874 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [0,1,0,0,0,0|2,0,1]=4 6875 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [0,1,0,0,0,0|2,0,1]=4 6876 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [0,0,0,1,0,0|2,0,1]=4 6877 B12R1.8 C#CCCCOC1C=CCCC1 34a_100011215024_100000695029 [0,0,0,1,0,0|2,0,1]=4 6878 B12R1.8 C#CCCCOC1C=CCCC1 7a_100000215630_100000751183 [0,0,0,1,0,0|2,0,1]=4 6879 B12R1.8 C#CCCCOC1CCCCO1 34a_100000033831_100000695029 [0,0,0,1,0,0|1,0,2]=4 6880 B12R1.8 C#CCCCSC1C=CCCC1 62a_100000751183_100011215417 [0,0,0,1,0,0|2,0,1]=4 6881 B12R1.8 C#CCCCSC1C=CCCC1 62a_100011215417_100000751183 [0,0,0,1,0,0|2,0,1]=4 6882 B12R1.8 C#CCCNCC1CCCCO1 2230a_100000174945_100000688953 [0,0,0,1,0,0|1,0,2]=4 6883 B12R1.8 C#CCCNCC1CCCCO1 34a_100000174945_100000688953 [0,0,0,1,0,0|1,0,2]=4 6884 B12R1.8 C#CCCNCC1CCCCO1 34a_100000755551_100000211543 [0,0,0,1,0,0|1,0,2]=4 6885 B12R1.8 C#CCCOCC1CCCCO1 34a_100000211370_100000688953 [0,0,0,1,0,0|1,0,2]=4 6886 B12R1.8 C#CCCOCC1CCCCO1 34a_100011215631_100000211543 [0,0,0,1,0,0|1,0,2]=4 6887 B12R1.8 C#CCCOCC1CCCCO1 7a_100000211370_100000688953 [0,0,0,1,0,0|1,0,2]=4 6888 B12R1.8 C#CCCSCC1CCCCO1 62a_100000211543_100000688953 [0,0,0,1,0,0|1,0,2]=4 6889 B12R1.8 C#CCCSCC1CCCCO1 62a_100000688953_100000211543 [0,0,0,1,0,0|1,0,2]=4 6890 B12R1.8 C#CCNCCC1CCCCO1 2230a_100015183643_100000038162 [0,0,0,1,0,0|1,0,2]=4 6891 B12R1.8 C#CCNCCC1CCCCO1 34a_100015183643_100000184674 [0,0,0,1,0,0|1,0,2]=4 6892 B12R1.8 C/C=C/CNCC1CCCCO1 34a_100000174945_100102629194 [0,0,0,1,0,0|1,0,2]=4 6893 B12R1.8 C/C=C/COCC1CCCCO1 34a_100000211370_100102629194 [0,0,0,1,0,0|1,0,2]=4 6894 B12R1.8 C/C=C/COCC1CCCCO1 34a_100016270725_100000211543 [0,0,0,1,0,0|1,0,2]=4 6895 B12R1.8 C/C=C/COCC1CCCCO1 7a_100000211370_100102629194 [0,0,0,1,0,0|1,0,2]=4 6896 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100000211543_100102629194 [0,0,0,1,0,0|1,0,2]=4 6897 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100102629194_100000211543 [0,0,0,1,0,0|1,0,2]=4 6898 B12R1.8 C=CCCCCN1CCCOC1 2230a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 6899 B12R1.8 C=CCCCCN1CCCOC1 269982a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 6900 B12R1.8 C=CCCCCN1CCCOC1 34a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 6901 B12R1.8 C=CCCCCN1CCOCC1 2230a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 6902 B12R1.8 C=CCCCCN1CCOCC1 269982a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 6903 B12R1.8 C=CCCCCN1CCOCC1 34a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 6904 B12R1.8 C=CCCCCN1CCSCC1 2230a_100000737611_100011215482 [0,0,0,1,0,0|3,0,0]=4 6905 B12R1.8 C=CCCCCN1CCSCC1 269982a_100000737611_100011215482 [0,0,0,1,0,0|3,0,0]=4 6906 B12R1.8 C=CCCCNC1C=CCCC1 2230a_100000700776_100000751183 [0,0,0,1,0,0|2,0,1]=4 6907 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,0,0,1,0,0|2,0,0]=3 6908 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,0,0,1,0,0|2,0,0]=3 6909 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,0,0,1,0,0|2,0,0]=3 6910 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,0,0,1,0,0|2,0,0]=3 6911 B12R1.8 C=CCCCNC1CCCOC1 2230a_100000719290_100011713584 [0,0,0,1,0,0|3,0,0]=4 6912 B12R1.8 C=CCCCNC1CCCOC1 270004a_100000700776_100000753404 [0,0,0,1,0,0|3,0,0]=4 6913 B12R1.8 C=CCCCNC1CCCOC1 34a_100000700776_100000693364 [0,0,0,1,0,0|3,0,0]=4 6914 B12R1.8 C=CCCCNC1CCCOC1 34a_100000719290_100000757094 [0,0,0,1,0,0|3,0,0]=4 6915 B12R1.8 C=CCCCNC1CCCSC1 270004a_100000700776_100000057913 [0,0,0,1,0,0|3,0,0]=4 6916 B12R1.8 C=CCCCNC1CCNCC1 270004a_100000700776_100015192401 [0,0,0,1,0,0|3,0,0]=4 6917 B12R1.8 C=CCCCNC1CCOCC1 2230a_100000741149_100011713584 [0,0,0,1,0,0|3,0,0]=4 6918 B12R1.8 C=CCCCNC1CCOCC1 270004a_100000700776_100011217826 [0,0,0,1,0,0|3,0,0]=4 6919 B12R1.8 C=CCCCNC1CCOCC1 34a_100000741149_100000757094 [0,0,0,1,0,0|3,0,0]=4 6920 B12R1.8 C=CCCCNC1CCSCC1 2230a_100000748639_100011713584 [0,0,0,1,0,0|3,0,0]=4 6921 B12R1.8 C=CCCCNC1CCSCC1 270004a_100000700776_100000203788 [0,0,0,1,0,0|3,0,0]=4 6922 B12R1.8 C=CCCCNC1CCSCC1 34a_100000700776_100000069128 [0,0,0,1,0,0|3,0,0]=4 6923 B12R1.8 C=CCCCNC1CCSCC1 34a_100000748639_100000757094 [0,0,0,1,0,0|3,0,0]=4 6924 B12R1.8 C=CCCCOC1C=CCCC1 34a_100011215024_100000757094 [0,0,0,1,0,0|2,0,1]=4 6925 B12R1.8 C=CCCCOC1C=CCCC1 7a_100000758997_100000751183 [0,0,0,1,0,0|2,0,1]=4 6926 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,0,0,1,0,0|2,0,0]=3 6927 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,0,0,1,0,0|2,0,0]=3 6928 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,0,0,1,0,0|2,0,0]=3 6929 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,0,0,1,0,0|2,0,0]=3 6930 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,0,0,1,0,0|1,0,0]=2 6931 B12R1.8 C=CCCCOC1CCCOC1 34a_100000754041_100000757094 [0,0,0,1,0,0|3,0,0]=4 6932 B12R1.8 C=CCCCOC1CCCOC1 34a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 6933 B12R1.8 C=CCCCOC1CCCOC1 7a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 6934 B12R1.8 C=CCCCOC1CCCSC1 7a_100015962668_100000757094 [0,0,0,1,0,0|3,0,0]=4 6935 B12R1.8 C=CCCCOC1CCOCC1 34a_100000744328_100000757094 [0,0,0,1,0,0|3,0,0]=4 6936 B12R1.8 C=CCCCOC1CCOCC1 7a_100000758997_100000686592 [0,0,0,1,0,0|3,0,0]=4 6937 B12R1.8 C=CCCCOC1CCSCC1 34a_100000731022_100000757094 [0,0,0,1,0,0|3,0,0]=4 6938 B12R1.8 C=CCCCOC1CCSCC1 34a_100000758997_100000069128 [0,0,0,1,0,0|3,0,0]=4 6939 B12R1.8 C=CCCCOC1CCSCC1 7a_100000731022_100000757094 [0,0,0,1,0,0|3,0,0]=4 6940 B12R1.8 C=CCCCOC1CCSCC1 7a_100000758997_100011500858 [0,0,0,1,0,0|3,0,0]=4 6941 B12R1.8 C=CCCCSC1C=CCCC1 62a_100000751183_100000757094 [0,0,0,1,0,0|2,0,1]=4 6942 B12R1.8 C=CCCCSC1C=CCCC1 62a_100011713584_100000751183 [0,0,0,1,0,0|2,0,1]=4 6943 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,0,0,1,0,0|2,0,0]=3 6944 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,0,0,1,0,0|2,0,0]=3 6945 B12R1.8 C=CCCCSC1CCCOC1 62a_100011713584_100000693364 [0,0,0,1,0,0|3,0,0]=4 6946 B12R1.8 C=CCCCSC1CCOCC1 62a_100011713584_100011324220 [0,0,0,1,0,0|3,0,0]=4 6947 B12R1.8 C=CCCCSC1CCSCC1 62a_100011713584_100000069128 [0,0,0,1,0,0|3,0,0]=4 6948 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,0,0,1,0,0|2,0,0]=3 6949 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,0,0,1,0,0|2,0,0]=3 6950 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,0,0,1,0,0|2,0,0]=3 6951 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,0,0,1,0,0|2,0,0]=3 6952 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,0,0,1,0,0|1,0,0]=2 6953 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,0,0,1,0,0|1,0,0]=2 6954 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,0,0,1,0,0|1,0,0]=2 6955 B12R1.8 C=CCCNCC1CCCOC1 2230a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 6956 B12R1.8 C=CCCNCC1CCCOC1 2230a_100015191253_100000741521 [0,0,0,1,0,0|3,0,0]=4 6957 B12R1.8 C=CCCNCC1CCCOC1 34a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 6958 B12R1.8 C=CCCNCC1CCOCC1 2230a_100000746373_100000754431 [0,0,0,1,0,0|3,0,0]=4 6959 B12R1.8 C=CCCNCC1CCOCC1 2230a_100015191253_100000754603 [0,0,0,1,0,0|3,0,0]=4 6960 B12R1.8 C=CCCNCC1CCOCC1 269862a_100015191253_100000749017 [0,0,0,1,0,0|3,0,0]=4 6961 B12R1.8 C=CCCNCC1CCOCC1 34a_100000746373_100000754431 [0,0,0,1,0,0|3,0,0]=4 6962 B12R1.8 C=CCCNCC1CCSCC1 2230a_100015188806_100000754431 [0,0,0,1,0,0|3,0,0]=4 6963 B12R1.8 C=CCCNCC1CCSCC1 269862a_100015191253_100000067145 [0,0,0,1,0,0|3,0,0]=4 6964 B12R1.8 C=CCCNCC1CCSCC1 270004a_100015191253_100000067145 [0,0,0,1,0,0|3,0,0]=4 6965 B12R1.8 C=CCCNCC1CCSCC1 34a_100015188806_100000754431 [0,0,0,1,0,0|3,0,0]=4 6966 B12R1.8 C=CCCNC[C@H]1COCCO1 2230a_100010981119_100000754431 [0,0,0,1,0,0|2,0,0]=3 6967 B12R1.8 C=CCCNC[C@H]1COCCO1 34a_100010981119_100000754431 [0,0,0,1,0,0|2,0,0]=3 6968 B12R1.8 C=CCCOCC1CCC=CO1 34a_100011217868_100000754431 [0,0,0,1,0,0|1,0,2]=4 6969 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,0,0,1,0,0|2,0,0]=3 6970 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,0,0,1,0,0|2,0,0]=3 6971 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,0,0,1,0,0|2,0,0]=3 6972 B12R1.8 C=CCCOCC1CCCCN1 34a_100000210821_100000754431 [0,0,0,1,0,0|2,0,0]=3 6973 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,0,0,1,0,0|1,0,0]=2 6974 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,0,0,1,0,0|1,0,0]=2 6975 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,0,0,1,0,0|1,0,0]=2 6976 B12R1.8 C=CCCOCC1CCCNC1 34a_100000211344_100000754431 [0,0,0,1,0,0|3,0,0]=4 6977 B12R1.8 C=CCCOCC1CCCOC1 34a_100000741520_100000754431 [0,0,0,1,0,0|3,0,0]=4 6978 B12R1.8 C=CCCOCC1CCCOC1 34a_100011205117_100000741521 [0,0,0,1,0,0|3,0,0]=4 6979 B12R1.8 C=CCCOCC1CCNCC1 34a_100000738675_100000754431 [0,0,0,1,0,0|3,0,0]=4 6980 B12R1.8 C=CCCOCC1CCOCC1 34a_100000749013_100000754431 [0,0,0,1,0,0|3,0,0]=4 6981 B12R1.8 C=CCCOCC1CCOCC1 34a_100011205117_100000754603 [0,0,0,1,0,0|3,0,0]=4 6982 B12R1.8 C=CCCOCC1CCSCC1 34a_100000070558_100000754431 [0,0,0,1,0,0|3,0,0]=4 6983 B12R1.8 C=CCCOCC1CCSCC1 7a_100000070558_100000754431 [0,0,0,1,0,0|3,0,0]=4 6984 B12R1.8 C=CCCOC[C@@H]1CNCCO1 34a_100015189573_100000754431 [0,0,0,1,0,0|2,0,0]=3 6985 B12R1.8 C=CCCOC[C@@H]1COCCN1 34a_100000717676_100000754431 [0,0,0,1,0,0|3,0,0]=4 6986 B12R1.8 C=CCCOC[C@H]1COCCO1 34a_100009875890_100000754431 [0,0,0,1,0,0|2,0,0]=3 6987 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,0,0,1,0,0|2,0,0]=3 6988 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,0,0,1,0,0|2,0,0]=3 6989 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,0,0,1,0,0|1,0,0]=2 6990 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,0,0,1,0,0|1,0,0]=2 6991 B12R1.8 C=CCCSCC1CCCOC1 62a_100000741521_100000754431 [0,0,0,1,0,0|3,0,0]=4 6992 B12R1.8 C=CCCSCC1CCCOC1 62a_100000754431_100000741521 [0,0,0,1,0,0|3,0,0]=4 6993 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754431_100000749018 [0,0,0,1,0,0|3,0,0]=4 6994 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754603_100000754431 [0,0,0,1,0,0|3,0,0]=4 6995 B12R1.8 C=CCNCCC1=CCCCC1 2230a_100000212019_100000210623 [0,0,0,1,0,0|2,0,1]=4 6996 B12R1.8 C=CCNCCC1=CCCCC1 34a_100000212019_100015514636 [0,0,0,1,0,0|2,0,1]=4 6997 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,0,0,1,0,0|2,0,0]=3 6998 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,0,0,1,0,0|2,0,0]=3 6999 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,0,0,1,0,0|2,0,0]=3 7000 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,0,0,1,0,0|2,0,0]=3 7001 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,0,0,1,0,0|1,0,0]=2 7002 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,0,0,1,0,0|1,0,0]=2 7003 B12R1.8 C=CCNCCC1CCOCC1 2230a_100000755988_100000210623 [0,0,0,1,0,0|3,0,0]=4 7004 B12R1.8 C=CCNCCC1CCOCC1 2230a_100020586998_100011934994 [0,0,0,1,0,0|3,0,0]=4 7005 B12R1.8 C=CCNCCC1CCOCC1 34a_100000755988_100015514636 [0,0,0,1,0,0|3,0,0]=4 7006 B12R1.8 C=CCNCCC1OCCCO1 2230a_100020586998_100000764188 [0,0,0,1,0,0|2,0,0]=3 7007 B12R1.8 C=CCNCCN1CCCCC1 2230a_100020586998_100000739454 [0,0,0,1,0,0|3,0,0]=4 7008 B12R1.8 C=CCNCOC1CCCCC1 2230a_100020586998_100011935260 [0,0,0,1,0,0|3,0,0]=4 7009 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,0,0,1,0,0|2,0,0]=3 7010 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,0,0,1,0,0|2,0,0]=3 7011 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,0,0,1,0,0|2,0,0]=3 7012 B12R1.8 C=CCOCCC1CCCCN1 34a_100000211664_100015514636 [0,0,0,1,0,0|2,0,0]=3 7013 B12R1.8 C=CCOCCC1CCCNC1 34a_100000752241_100015514636 [0,0,0,1,0,0|3,0,0]=4 7014 B12R1.8 C=CCOCCC1CCNCC1 34a_100015190746_100015514636 [0,0,0,1,0,0|3,0,0]=4 7015 B12R1.8 C=CCOCCC1CCOCC1 34a_100011933979_100015514636 [0,0,0,1,0,0|3,0,0]=4 7016 B12R1.8 C=CCOCCC1CCOCC1 34a_200000210373_100011934994 [0,0,0,1,0,0|3,0,0]=4 7017 B12R1.8 C=CCOCCC1CCOCC1 7a_100011933979_100015514636 [0,0,0,1,0,0|3,0,0]=4 7018 B12R1.8 C=CCOCCC1OCCCO1 34a_200000210373_100000764188 [0,0,0,1,0,0|2,0,0]=3 7019 B12R1.8 C=CCOCCC1SCCCS1 34a_200011025297_100015514636 [0,0,0,1,0,0|2,1,0]=4 7020 B12R1.8 C=CCOCCC1SCCCS1 7a_200011025297_100015514636 [0,0,0,1,0,0|2,1,0]=4 7021 B12R1.8 C=CCOCCN1CCCCC1 34a_200000210373_100000739454 [0,0,0,1,0,0|3,0,0]=4 7022 B12R1.8 C=CCOCC[C@@H]1CNCCN1 34a_100016989929_100015514636 [0,0,0,1,0,0|3,0,0]=4 7023 B12R1.8 C=CCOCOC1CCCCC1 34a_200000210373_100011935260 [0,0,0,1,0,0|3,0,0]=4 7024 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,0,0,1,0,0|2,0,0]=3 7025 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,0,0,1,0,0|2,0,0]=3 7026 B12R1.8 C=CCSCCC1CCOCC1 62a_100000210623_100011934994 [0,0,0,1,0,0|3,0,0]=4 7027 B12R1.8 C=CCSCCC1CCOCC1 62a_100011934994_100000210623 [0,0,0,1,0,0|3,0,0]=4 7028 B12R1.8 C=CCSCCC1OCCCO1 62a_100000210623_100000764188 [0,0,0,1,0,0|2,0,0]=3 7029 B12R1.8 C=CCSCCC1OCCCO1 62a_100000764188_100000210623 [0,0,0,1,0,0|2,0,0]=3 7030 B12R1.8 C=CCSCCN1CCCCC1 62a_100000210623_100000739454 [0,0,0,1,0,0|3,0,0]=4 7031 B12R1.8 C=CCSCCN1CCCCC1 62a_100000739454_100000210623 [0,0,0,1,0,0|3,0,0]=4 7032 B12R1.8 C=CCSCOC1CCCCC1 62a_100000210623_100011935260 [0,0,0,1,0,0|3,0,0]=4 7033 B12R1.8 C=CCSCOC1CCCCC1 62a_100011935260_100000210623 [0,0,0,1,0,0|3,0,0]=4 7034 B12R1.8 C=COCCNC1CCCCC1 2230a_100000182618_100000039644 [0,0,0,1,0,0|3,0,0]=4 7035 B12R1.8 C=COCCNC1CCCCC1 34a_100000182618_100000039644 [0,0,0,1,0,0|3,0,0]=4 7036 B12R1.8 C=COCCOC1CCCCC1 34a_100000033082_100000210327 [0,0,0,1,0,0|3,0,0]=4 7037 B12R1.8 C=COCCOC1CCCCC1 34a_100000210231_100000039644 [0,0,0,1,0,0|3,0,0]=4 7038 B12R1.8 C=COCCOC1CCCCC1 7a_100000210231_100000039644 [0,0,0,1,0,0|3,0,0]=4 7039 B12R1.8 C=COCCOC1CCCCO1 34a_100000033831_100000039644 [0,0,0,1,0,0|2,0,0]=3 7040 B12R1.8 C=COCCSC1CCCCC1 62a_100000039644_100000210327 [0,0,0,1,0,0|3,0,0]=4 7041 B12R1.8 C=COCCSC1CCCCC1 62a_100000210327_100000039644 [0,0,0,1,0,0|3,0,0]=4 7042 B12R1.8 CC=CCNCC1CCCCO1 2230a_100000174945_100000070051 [0,0,0,1,0,0|1,0,2]=4 7043 B12R1.8 CC=CCNCC1CCCCO1 34a_100000174945_100000070051 [0,0,0,1,0,0|1,0,2]=4 7044 B12R1.8 CC=CCOCC1CCCCO1 34a_100000211370_100000070051 [0,0,0,1,0,0|1,0,2]=4 7045 B12R1.8 CC=CCOCC1CCCCO1 7a_100000211370_100000070051 [0,0,0,1,0,0|1,0,2]=4 7046 B12R1.8 CC=CCSCC1CCCCO1 62a_100000070051_100000211543 [0,0,0,1,0,0|1,0,2]=4 7047 B12R1.8 CC=CCSCC1CCCCO1 62a_100000211543_100000070051 [0,0,0,1,0,0|1,0,2]=4 7048 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,0,0,1,0,0|2,0,0]=3 7049 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,0,0,1,0,0|2,0,0]=3 7050 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,0,0,1,0,0|2,0,0]=3 7051 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,0,0,1,0,0|1,0,2]=4 7052 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,0,0,1,0,0|2,0,0]=3 7053 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,0,0,1,0,0|2,0,0]=3 7054 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,0,0,1,0,0|1,0,2]=4 7055 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,0,0,1,0,0|1,0,2]=4 7056 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,0,0,1,0,0|1,0,2]=4 7057 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,0,0,1,0,0|1,0,2]=4 7058 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 7059 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,0,0,1,0,0|1,0,2]=4 7060 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 7061 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,0,0,1,0,0|1,0,2]=4 7062 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,0,0,1,0,0|1,0,2]=4 7063 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,0,0,1,0,0|1,0,2]=4 7064 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 7065 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 7066 B12R1.8 CCOCCNC1C=CCCC1 2230a_102516460346_100000751183 [0,0,0,1,0,0|3,0,0]=4 7067 B12R1.8 CCOCCOC1C=CCCC1 34a_100011215024_100000210147 [0,0,0,1,0,0|3,0,0]=4 7068 B12R1.8 CCOCCOC1C=CCCC1 7a_100000210136_100000751183 [0,0,0,1,0,0|3,0,0]=4 7069 B12R1.8 CCOCCSC1C=CCCC1 62a_100000210147_100000751183 [0,0,0,1,0,0|3,0,0]=4 7070 B12R1.8 CCOCCSC1C=CCCC1 62a_100000751183_100011215890 [0,0,0,1,0,0|3,0,0]=4 7071 B12R1.8 CCSCCNC1C=CCCC1 2230a_100000106463_100000751183 [0,0,0,1,0,0|3,0,0]=4 7072 B12R1.8 CCSCCOC1C=CCCC1 34a_100011215024_100000757381 [0,0,0,1,0,0|3,0,0]=4 7073 B12R1.8 CCSCCOC1C=CCCC1 7a_100000212035_100000751183 [0,0,0,1,0,0|3,0,0]=4 7074 B12R1.8 CCSCCSC1C=CCCC1 62a_100000751183_100000757381 [0,0,0,1,0,0|3,0,0]=4 7075 B12R1.8 CCSCCSC1C=CCCC1 62a_100000757381_100000751183 [0,0,0,1,0,0|3,0,0]=4 7076 B12R1.8 CNCCCOC1CCCCO1 2230a_106832991635_100000700653 [0,0,0,1,0,0|2,0,1]=4 7077 B12R1.8 CNCCCOC1CCCCO1 34a_100102657272_100000700653 [0,0,0,1,0,0|2,0,1]=4 7078 B12R1.8 CNCCCOC1CCCCO1 7a_106832991635_100000700653 [0,0,0,1,0,0|2,0,1]=4 7079 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,0,0,1,0,0|2,0,1]=4 7080 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,0,0,1,0,0|2,0,1]=4 7081 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [0,0,0,1,0,0|3,0,0]=4 7082 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [0,0,0,1,0,0|2,0,1]=4 7083 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [0,0,0,1,0,0|2,0,1]=4 7084 B12R1.8 COCCCSC1C=CCCC1 62a_100000709357_100000751183 [0,0,0,1,0,0|3,0,0]=4 7085 B12R1.8 COCCCSC1C=CCCC1 62a_100000751183_100000709357 [0,0,0,1,0,0|3,0,0]=4 7086 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [0,0,0,1,0,0|2,0,1]=4 7087 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [0,0,0,1,0,0|2,0,1]=4 7088 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [0,0,0,1,0,0|2,0,1]=4 7089 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [0,0,0,1,0,0|2,0,1]=4 7090 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [0,0,0,1,0,0|2,0,1]=4 7091 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [0,0,0,1,0,0|2,0,1]=4 7092 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [0,0,0,1,0,0|2,0,1]=4 7093 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [0,0,0,1,0,0|2,0,1]=4 7094 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [0,0,0,1,0,0|2,0,1]=4 7095 B12R1.8 CSCCCNC1C=CCCC1 2230a_100000749238_100000751183 [0,0,0,1,0,0|3,0,0]=4 7096 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [0,0,0,1,0,0|3,0,0]=4 7097 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [0,0,0,1,0,0|2,0,1]=4 7098 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [0,0,0,1,0,0|2,0,1]=4 7099 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [0,0,0,1,0,0|2,0,1]=4 7100 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [0,0,0,1,0,0|2,0,1]=4 7101 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [0,0,0,1,0,0|2,0,1]=4 7102 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [0,0,0,1,0,0|2,0,1]=4 7103 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [0,0,0,1,0,0|2,0,1]=4 7104 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [0,0,0,1,0,0|2,0,1]=4 7105 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [0,0,0,1,0,0|2,0,1]=4 7106 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [0,0,0,1,0,0|2,0,1]=4 7107 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [0,0,0,1,0,0|2,0,1]=4 7108 B12R1.8 CSCNCCC1CCCCO1 2230a_100015183643_100011218213 [0,0,0,1,0,0|2,0,1]=4 7109 B12R1.8 CSCNCCC1CCCCO1 34a_100015183643_100011218213 [0,0,0,1,0,0|2,0,1]=4 7110 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [0,0,0,1,0,0|2,0,0]=3 7111 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [0,0,0,1,0,0|2,0,1]=4 7112 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [0,0,0,1,0,0|2,0,0]=3 7113 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [0,0,0,1,0,0|2,0,0]=3 7114 B12R1.8 FCCCCOC1CCCCO1 34a_100000033831_100000729493 [0,0,0,1,0,0|2,0,1]=4 7115 B12R1.8 FCCCCSC1C=CCCC1 62a_100000729493_100000751183 [0,0,0,1,0,0|2,0,0]=3 7116 B12R1.8 FCCCCSC1C=CCCC1 62a_100000751183_100000729493 [0,0,0,1,0,0|2,0,0]=3 7117 B12R1.8 FCCCNCC1CCCCO1 2230a_100000174945_100011934791 [0,0,0,1,0,0|2,0,1]=4 7118 B12R1.8 FCCCNCC1CCCCO1 2230a_100015189416_100000211543 [0,0,0,1,0,0|2,0,1]=4 7119 B12R1.8 FCCCNCC1CCCCO1 34a_100000174945_100011934791 [0,0,0,1,0,0|2,0,1]=4 7120 B12R1.8 FCCCNCC1CCCCO1 34a_100015189416_100000211543 [0,0,0,1,0,0|2,0,1]=4 7121 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [0,0,0,1,0,0|2,0,1]=4 7122 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [0,0,0,1,0,0|2,0,1]=4 7123 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [0,0,0,1,0,0|2,0,1]=4 7124 B12R1.8 FCCCSCC1CCCCO1 62a_100000211543_100011934791 [0,0,0,1,0,0|2,0,1]=4 7125 B12R1.8 FCCCSCC1CCCCO1 62a_100011934791_100000211543 [0,0,0,1,0,0|2,0,1]=4 7126 B12R1.8 FCCNCCC1CCCCO1 2230a_100015183643_100011217306 [0,0,0,1,0,0|2,0,1]=4 7127 B12R1.8 FCCNCCC1CCCCO1 34a_100015183643_100011217306 [0,0,0,1,0,0|2,0,1]=4 7128 B12R1.8 N#CCCCSC1C=CCCC1 62a_100000687738_100000751183 [0,0,0,1,0,0|2,0,1]=4 7129 B12R1.8 N#CCCCSC1C=CCCC1 62a_100000751183_100000687738 [0,0,0,1,0,0|2,0,1]=4 7130 B12R1.8 N#CCCNCC1CCCCO1 2230a_100000174945_100011215226 [0,0,0,1,0,0|2,0,1]=4 7131 B12R1.8 N#CCCOCC1CCCCO1 7a_100000211370_100000184422 [0,0,0,1,0,0|2,0,1]=4 7132 B12R1.8 N#CCCSCC1CCCCO1 62a_100000211543_100011215226 [0,0,0,1,0,0|2,0,1]=4 7133 B12R1.8 N#CCCSCC1CCCCO1 62a_100011215226_100000211543 [0,0,0,1,0,0|2,0,1]=4 7134 B12R1.8 N#CCNCCC1CCCCO1 2230a_100015183643_100011215382 [0,0,0,1,0,0|2,0,1]=4 7135 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [0,0,0,1,0,0|2,0,1]=4 7136 B12R1.8 NOCCOCC1CCCCO1 34a_100000700252_100000211543 [0,0,0,1,0,0|3,0,0]=4 7137 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,0,0,1,0,0|3,0,0]=4 7138 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,0,0,1,0,0|3,0,0]=4 7139 B12R1.8 O=CCCCSC1C=CCCC1 62a_100000751183_200011292268 [0,0,0,1,0,0|1,0,2]=4 7140 B12R1.8 O=CCCCSC1C=CCCC1 62a_200011292268_100000751183 [0,0,0,1,0,0|1,0,2]=4 7141 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,0,0,1,0,0|3,0,0]=4 7142 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,0,0,1,0,0|3,0,0]=4 7143 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,0,0,1,0,0|3,0,0]=4 7144 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,0,0,1,0,0|3,0,0]=4 7145 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,0,0,1,0,0|2,0,0]=3 7146 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,0,0,1,0,0|2,0,0]=3 7147 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,0,0,1,0,0|3,0,0]=4 7148 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,0,0,1,0,0|3,0,0]=4 7149 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [0,0,0,1,0,0|3,0,0]=4 7150 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,0,0,1,0,0|3,0,0]=4 7151 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,0,0,1,0,0|3,0,0]=4 7152 B12R1.8 O=CCSCCC1OCCCO1 62a_100000764188_200015260668 [0,0,0,1,0,0|3,0,0]=4 7153 B12R1.8 O=CCSCCC1OCCCO1 62a_200015260668_100000764188 [0,0,0,1,0,0|3,0,0]=4 7154 B12R1.8 OCC#CCOC1C=CCCC1 34a_100011215024_200000047223 [0,0,0,1,0,0|1,0,2]=4 7155 B12R1.8 OCC#CCSC1C=CCCC1 62a_100000751183_200000047223 [0,0,0,1,0,0|1,0,2]=4 7156 B12R1.8 OCC#CCSC1C=CCCC1 62a_200000047223_100000751183 [0,0,0,1,0,0|1,0,2]=4 7157 B12R1.8 OCCCCCN1CC=CCC1 2230a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 7158 B12R1.8 OCCCCCN1CC=CCC1 269982a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 7159 B12R1.8 OCCCCCN1CC=CCC1 34a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 7160 B12R1.8 OCCCCCN1CCCOC1 2230a_100000131196_100000746330 [0,0,0,1,0,0|2,0,1]=4 7161 B12R1.8 OCCCCCN1CCCOC1 269982a_100000131196_100000746330 [0,0,0,1,0,0|2,0,1]=4 7162 B12R1.8 OCCCCCN1CCCOC1 34a_100000131196_100000746330 [0,0,0,1,0,0|2,0,1]=4 7163 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,0,0,1,0,0|1,0,0]=2 7164 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,0,0,1,0,0|1,0,2]=4 7165 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,0,0,1,0,0|1,0,2]=4 7166 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,0,0,1,0,0|1,0,2]=4 7167 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|1,0,2]=4 7168 B12R1.8 OCCCCNC1CCCOC1 2230a_100000719290_100000210776 [0,0,0,1,0,0|2,0,1]=4 7169 B12R1.8 OCCCCNC1CCCOC1 270004a_100000750430_100000753404 [0,0,0,1,0,0|2,0,1]=4 7170 B12R1.8 OCCCCNC1CCCOC1 34a_100000719290_100011216708 [0,0,0,1,0,0|2,0,1]=4 7171 B12R1.8 OCCCCNC1CCCOC1 34a_100000750430_100000693364 [0,0,0,1,0,0|2,0,1]=4 7172 B12R1.8 OCCCCNC1CCCSC1 270004a_100000750430_100000057913 [0,0,0,1,0,0|2,0,1]=4 7173 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,0,0,1,0,0|1,0,0]=2 7174 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [0,0,0,1,0,0|1,0,2]=4 7175 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,0,0,1,0,0|1,0,2]=4 7176 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,0,0,1,0,0|1,0,2]=4 7177 B12R1.8 OCCCCOC1CCCCO1 34a_100000033831_100011216708 [0,0,0,1,0,0|2,0,1]=4 7178 B12R1.8 OCCCCOC1CCCOC1 34a_100000754041_100011216708 [0,0,0,1,0,0|2,0,1]=4 7179 B12R1.8 OCCCCOC1CCCSC1 7a_100015962668_100000210776 [0,0,0,1,0,0|2,0,1]=4 7180 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,0,0,1,0,0|1,0,0]=2 7181 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,0,0,1,0,0|1,0,0]=2 7182 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,0,0,1,0,0|1,0,2]=4 7183 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,0,0,1,0,0|1,0,2]=4 7184 B12R1.8 OCCCCSC1CCCOC1 62a_100000210776_100000693364 [0,0,0,1,0,0|2,0,1]=4 7185 B12R1.8 OCCCNCC1CC=CCC1 270004a_100000182051_100000189434 [0,0,0,1,0,0|1,0,2]=4 7186 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 7187 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,0,0,1,0,0|1,0,2]=4 7188 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 7189 B12R1.8 OCCCNCC1CCCCO1 2230a_100000174945_100000230001 [0,0,0,1,0,0|2,0,1]=4 7190 B12R1.8 OCCCNCC1CCCCO1 34a_100000174945_100000230001 [0,0,0,1,0,0|2,0,1]=4 7191 B12R1.8 OCCCNCC1CCCOC1 2230a_100000720124_100000230001 [0,0,0,1,0,0|2,0,1]=4 7192 B12R1.8 OCCCNCC1CCCOC1 34a_100000720124_100000230001 [0,0,0,1,0,0|2,0,1]=4 7193 B12R1.8 OCCCOCC1CC=CCC1 34a_100000210713_100000230001 [0,0,0,1,0,0|1,0,2]=4 7194 B12R1.8 OCCCOCC1CCC=CO1 34a_100011217868_100000230001 [0,0,0,1,0,0|2,0,1]=4 7195 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,0,0,1,0,0|1,0,2]=4 7196 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,0,0,1,0,0|1,0,2]=4 7197 B12R1.8 OCCCOCC1CCCCN1 34a_100000210821_100000230001 [0,0,0,1,0,0|2,0,1]=4 7198 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [0,0,0,1,0,0|2,0,1]=4 7199 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [0,0,0,1,0,0|2,0,1]=4 7200 B12R1.8 OCCCOCC1CCCNC1 34a_100000211344_100000230001 [0,0,0,1,0,0|2,0,1]=4 7201 B12R1.8 OCCCOCC1CCCOC1 34a_100000741520_100000230001 [0,0,0,1,0,0|2,0,1]=4 7202 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,0,0,1,0,0|1,0,2]=4 7203 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,0,0,1,0,0|1,0,2]=4 7204 B12R1.8 OCCCSCC1CCCCO1 62a_100000211543_100011215043 [0,0,0,1,0,0|2,0,1]=4 7205 B12R1.8 OCCCSCC1CCCCO1 62a_100011215043_100000211543 [0,0,0,1,0,0|2,0,1]=4 7206 B12R1.8 OCCCSCC1CCCOC1 62a_100000741521_100011215043 [0,0,0,1,0,0|2,0,1]=4 7207 B12R1.8 OCCCSCC1CCCOC1 62a_100011215043_100000741521 [0,0,0,1,0,0|2,0,1]=4 7208 B12R1.8 OCCNCCC1=CCCCC1 2230a_100000212019_100000211926 [0,0,0,1,0,0|1,0,2]=4 7209 B12R1.8 OCCNCCC1=CCCCC1 34a_100000212019_100000211926 [0,0,0,1,0,0|1,0,2]=4 7210 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,0,0,1,0,0|1,0,2]=4 7211 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,0,0,1,0,0|1,0,2]=4 7212 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,0,0,1,0,0|1,0,2]=4 7213 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,0,0,1,0,0|1,0,2]=4 7214 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,0,0,1,0,0|1,0,2]=4 7215 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [0,0,0,1,0,0|2,0,1]=4 7216 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [0,0,0,1,0,0|2,0,1]=4 7217 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,0,0,1,0,0|1,0,2]=4 7218 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,0,0,1,0,0|1,0,2]=4 7219 B12R1.8 OCCOCCC1CCCCN1 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 7220 B12R1.8 OCCOCCC1CCCNC1 34a_100000752241_100000211926 [0,0,0,1,0,0|2,0,1]=4 7221 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,0,0,1,0,0|1,0,2]=4 7222 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,0,0,1,0,0|1,0,2]=4 7223 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,0,0,1,0,0|2,0,1]=4 7224 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,0,0,1,0,0|2,0,1]=4 7225 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [0,0,0,1,0,0|2,0,1]=4 7226 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [0,0,0,1,0,0|2,0,1]=4 7227 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [0,0,0,1,0,0|1,0,2]=4 7228 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [0,0,0,1,0,0|1,0,2]=4 7229 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|3,0,0]=4 7230 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|3,0,0]=4 7231 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,0,0,1,0,0|3,0,0]=4 7232 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,0,0,1,0,0|3,0,0]=4 7233 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|2,0,0]=3 7234 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|2,0,0]=3 7235 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 7236 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,0,0,1,0,0|3,0,0]=4 7237 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 7238 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,0,0,1,0,0|3,0,0]=4 7239 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,0,0,1,0,0|3,0,0]=4 7240 B12R1.37 C#CCCCCOC1CCCO1 34a_100000085407_100010269958 [0,0,0,1,0,0|1,0,2]=4 7241 B12R1.37 C#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000731252 [0,0,0,1,0,0|1,0,2]=4 7242 B12R1.37 C#CCCCNC[C@@H]1CCCO1 34a_100020590478_100000695029 [0,0,0,1,0,0|1,0,2]=4 7243 B12R1.37 C#CCCCOCC1CCCO1 34a_100000210270_100000695029 [0,0,0,1,0,0|1,0,2]=4 7244 B12R1.37 C#CCCCOCC1CCCO1 7a_100000210270_100011215417 [0,0,0,1,0,0|1,0,2]=4 7245 B12R1.37 C#CCCCOCC1CCCO1 7a_100000215630_100000203698 [0,0,0,1,0,0|1,0,2]=4 7246 B12R1.37 C#CCCCSCC1CCCO1 62a_100000203698_100011215417 [0,0,0,1,0,0|1,0,2]=4 7247 B12R1.37 C#CCCCSCC1CCCO1 62a_100011215417_100000203698 [0,0,0,1,0,0|1,0,2]=4 7248 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,0,0,1,0,0|2,0,0]=3 7249 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,0,0,1,0,0|2,0,0]=3 7250 B12R1.37 C=CCCCCCN1CCSC1 2230a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 7251 B12R1.37 C=CCCCCCN1CCSC1 269982a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 7252 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,0,0,1,0,0|2,0,0]=3 7253 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,0,0,1,0,0|2,0,0]=3 7254 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,0,0,1,0,0|2,0,0]=3 7255 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,0,0,1,0,0|2,0,0]=3 7256 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,0,0,1,0,0|2,0,0]=3 7257 B12R1.37 C=CCCCCNC1CCOC1 2230a_100000703577_100000731011 [0,0,0,1,0,0|3,0,0]=4 7258 B12R1.37 C=CCCCCNC1CCOC1 270004a_100000703577_100000752484 [0,0,0,1,0,0|3,0,0]=4 7259 B12R1.37 C=CCCCCNC1CCOC1 34a_100000703577_100000690089 [0,0,0,1,0,0|3,0,0]=4 7260 B12R1.37 C=CCCCCNC1CCSC1 270004a_100000703577_100000212027 [0,0,0,1,0,0|3,0,0]=4 7261 B12R1.37 C=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215482 [0,0,0,1,0,0|3,0,0]=4 7262 B12R1.37 C=CCCCCN[C@H]1CCOC1 2230a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 7263 B12R1.37 C=CCCCCN[C@H]1CCOC1 34a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 7264 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,0,0,1,0,0|2,0,0]=3 7265 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,0,0,1,0,0|2,0,0]=3 7266 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,0,0,1,0,0|2,0,0]=3 7267 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,0,0,1,0,0|2,0,0]=3 7268 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,0,0,1,0,0|1,0,0]=2 7269 B12R1.37 C=CCCCCOC1CCOC1 34a_100000766645_100000690089 [0,0,0,1,0,0|3,0,0]=4 7270 B12R1.37 C=CCCCCOC1CCOC1 7a_100000766645_100000731011 [0,0,0,1,0,0|3,0,0]=4 7271 B12R1.37 C=CCCCCOC1CCSC1 7a_100011232664_100011215482 [0,0,0,1,0,0|3,0,0]=4 7272 B12R1.37 C=CCCCCO[C@H]1CCOC1 34a_100000717292_100011215482 [0,0,0,1,0,0|3,0,0]=4 7273 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,0,0,1,0,0|2,0,0]=3 7274 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,0,0,1,0,0|2,0,0]=3 7275 B12R1.37 C=CCCCCSC1CCOC1 62a_100011215482_100000690089 [0,0,0,1,0,0|3,0,0]=4 7276 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,0,0,1,0,0|2,0,0]=3 7277 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,0,0,1,0,0|2,0,0]=3 7278 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,0,0,1,0,0|2,0,0]=3 7279 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,0,0,1,0,0|2,0,0]=3 7280 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,0,0,1,0,0|2,0,0]=3 7281 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,0,0,1,0,0|1,0,0]=2 7282 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000700776_100000702531 [0,0,0,1,0,0|3,0,0]=4 7283 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000737293_100011713584 [0,0,0,1,0,0|3,0,0]=4 7284 B12R1.37 C=CCCCNCC1CCOC1 34a_100000700776_100011261433 [0,0,0,1,0,0|3,0,0]=4 7285 B12R1.37 C=CCCCNCC1CCOC1 34a_100000737293_100000757094 [0,0,0,1,0,0|3,0,0]=4 7286 B12R1.37 C=CCCCNCC1OCCO1 2230a_100000036311_100011713584 [0,0,0,1,0,0|2,0,0]=3 7287 B12R1.37 C=CCCCNCC1OCCO1 2230a_100000700776_100000755774 [0,0,0,1,0,0|2,0,0]=3 7288 B12R1.37 C=CCCCNCC1OCCO1 34a_100000036311_100000757094 [0,0,0,1,0,0|2,0,0]=3 7289 B12R1.37 C=CCCCNCC1OCCO1 34a_100000700776_100000755774 [0,0,0,1,0,0|2,0,0]=3 7290 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,0,0,1,0,0|1,0,0]=2 7291 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,0,0,1,0,0|1,0,0]=2 7292 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,0,0,1,0,0|2,0,0]=3 7293 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,0,0,1,0,0|2,0,0]=3 7294 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,0,0,1,0,0|2,0,0]=3 7295 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,0,0,1,0,0|2,0,0]=3 7296 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,0,0,1,0,0|1,0,0]=2 7297 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,0,0,1,0,0|1,0,0]=2 7298 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,0,0,1,0,0|1,0,0]=2 7299 B12R1.37 C=CCCCOCC1CCNC1 34a_100000748654_100000757094 [0,0,0,1,0,0|3,0,0]=4 7300 B12R1.37 C=CCCCOCC1CCOC1 34a_100000740260_100000757094 [0,0,0,1,0,0|3,0,0]=4 7301 B12R1.37 C=CCCCOCC1CCOC1 34a_100000758997_100011261433 [0,0,0,1,0,0|3,0,0]=4 7302 B12R1.37 C=CCCCOCC1CCOC1 7a_100000758997_100000702531 [0,0,0,1,0,0|3,0,0]=4 7303 B12R1.37 C=CCCCOCC1COCO1 34a_100011216627_100000757094 [0,0,0,1,0,0|2,0,0]=3 7304 B12R1.37 C=CCCCOCC1OCCO1 34a_100000087154_100000757094 [0,0,0,1,0,0|2,0,0]=3 7305 B12R1.37 C=CCCCOCC1OCCO1 34a_100000758997_100000755774 [0,0,0,1,0,0|2,0,0]=3 7306 B12R1.37 C=CCCCOCC1OCCO1 7a_100000758997_100000755774 [0,0,0,1,0,0|2,0,0]=3 7307 B12R1.37 C=CCCCOC[C@H]1CCCN1 34a_100000745186_100000757094 [0,0,0,1,0,0|2,0,0]=3 7308 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,0,0,1,0,0|2,0,0]=3 7309 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,0,0,1,0,0|2,0,0]=3 7310 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,0,0,1,0,0|1,0,0]=2 7311 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,0,0,1,0,0|1,0,0]=2 7312 B12R1.37 C=CCCCSCC1CCOC1 62a_100000702531_100000757094 [0,0,0,1,0,0|3,0,0]=4 7313 B12R1.37 C=CCCCSCC1CCOC1 62a_100011713584_100000702531 [0,0,0,1,0,0|3,0,0]=4 7314 B12R1.37 C=CCCCSCC1OCCO1 62a_100000755774_100000757094 [0,0,0,1,0,0|2,0,0]=3 7315 B12R1.37 C=CCCCSCC1OCCO1 62a_100011713584_100000755774 [0,0,0,1,0,0|2,0,0]=3 7316 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,0,0,1,0,0|2,0,0]=3 7317 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,0,0,1,0,0|2,0,0]=3 7318 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,0,0,1,0,0|2,0,0]=3 7319 B12R1.37 C=CCCNCCC1OCCO1 2230a_100000034215_100000754431 [0,0,0,1,0,0|2,0,0]=3 7320 B12R1.37 C=CCCNCCC1OCCO1 2230a_100015191253_100000740749 [0,0,0,1,0,0|2,0,0]=3 7321 B12R1.37 C=CCCNCCC1OCCO1 34a_100000034215_100000754431 [0,0,0,1,0,0|2,0,0]=3 7322 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,0,0,1,0,0|2,0,0]=3 7323 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,0,0,1,0,0|2,0,0]=3 7324 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,0,0,1,0,0|2,0,0]=3 7325 B12R1.37 C=CCCOCCC1CCNC1 34a_100016987287_100000754431 [0,0,0,1,0,0|3,0,0]=4 7326 B12R1.37 C=CCCOCCC1CCOC1 34a_100011879284_100000754431 [0,0,0,1,0,0|3,0,0]=4 7327 B12R1.37 C=CCCOCCC1OCCO1 34a_100011205117_100000740749 [0,0,0,1,0,0|2,0,0]=3 7328 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,0,0,1,0,0|2,0,0]=3 7329 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,0,0,1,0,0|2,0,0]=3 7330 B12R1.37 C=CCCSCCC1OCCO1 62a_100000754431_100000740749 [0,0,0,1,0,0|2,0,0]=3 7331 B12R1.37 C=CCCSCCN1CCCC1 62a_100000700749_100000754431 [0,0,0,1,0,0|3,0,0]=4 7332 B12R1.37 C=CCCSCCN1CCCC1 62a_100000754431_100000004467 [0,0,0,1,0,0|3,0,0]=4 7333 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,0,0,1,0,0|2,0,0]=3 7334 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,0,0,1,0,0|2,0,0]=3 7335 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,0,0,1,0,0|2,0,0]=3 7336 B12R1.37 C=CCNCCCC1OCCO1 2230a_100020586998_100000042513 [0,0,0,1,0,0|2,0,0]=3 7337 B12R1.37 C=CCNCCCN1CCCC1 2230a_100020586998_100011445909 [0,0,0,1,0,0|3,0,0]=4 7338 B12R1.37 C=CCNCCOC1CCCC1 34a_100000741755_100015514636 [0,0,0,1,0,0|3,0,0]=4 7339 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,0,0,1,0,0|2,0,0]=3 7340 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,0,0,1,0,0|2,0,0]=3 7341 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,0,0,1,0,0|2,0,0]=3 7342 B12R1.37 C=CCOCCCC1OCCO1 34a_100009871617_100015514636 [0,0,0,1,0,0|2,0,0]=3 7343 B12R1.37 C=CCOCCCC1OCCO1 34a_200000210373_100009861162 [0,0,0,1,0,0|2,0,0]=3 7344 B12R1.37 C=CCOCCCC1OCCO1 7a_100009871617_100015514636 [0,0,0,1,0,0|2,0,0]=3 7345 B12R1.37 C=CCOCCCN1CCCC1 34a_200000210373_100016991639 [0,0,0,1,0,0|3,0,0]=4 7346 B12R1.37 C=CCOCCNC1CCCC1 34a_200000200444_100015514636 [0,0,0,1,0,0|3,0,0]=4 7347 B12R1.37 C=CCOCCOC1CCCC1 34a_100000037705_100000179811 [0,0,0,1,0,0|3,0,0]=4 7348 B12R1.37 C=CCOCCOC1CCCC1 34a_100000738311_100015514636 [0,0,0,1,0,0|3,0,0]=4 7349 B12R1.37 C=CCOCCOC1CCCC1 7a_100000037705_100000179811 [0,0,0,1,0,0|3,0,0]=4 7350 B12R1.37 C=CCOCCOC1CCCC1 7a_100000738311_100015514636 [0,0,0,1,0,0|3,0,0]=4 7351 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,0,0,1,0,0|2,0,0]=3 7352 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,0,0,1,0,0|2,0,0]=3 7353 B12R1.37 C=CCSCCCC1OCCO1 62a_100000210623_100000042513 [0,0,0,1,0,0|2,0,0]=3 7354 B12R1.37 C=CCSCCCN1CCCC1 62a_100000210623_100011445909 [0,0,0,1,0,0|3,0,0]=4 7355 B12R1.37 C=CCSCCCN1CCCC1 62a_100016991639_100000210623 [0,0,0,1,0,0|3,0,0]=4 7356 B12R1.37 C=COCCCNC1CCCC1 2230a_100000210767_100000179811 [0,0,0,1,0,0|3,0,0]=4 7357 B12R1.37 C=COCCCNC1CCCC1 270004a_100000210767_100000210133 [0,0,0,1,0,0|3,0,0]=4 7358 B12R1.37 C=COCCCNC1CCCC1 34a_100000210767_100000179811 [0,0,0,1,0,0|3,0,0]=4 7359 B12R1.37 C=COCCNCC1CCCC1 2230a_100000737975_100000039644 [0,0,0,1,0,0|3,0,0]=4 7360 B12R1.37 C=COCCNCC1CCCC1 34a_100000737975_100000039644 [0,0,0,1,0,0|3,0,0]=4 7361 B12R1.37 C=COCCNCC1OCCO1 2230a_100000036311_100000039644 [0,0,0,1,0,0|3,0,0]=4 7362 B12R1.37 C=COCCNCC1OCCO1 34a_100000036311_100000039644 [0,0,0,1,0,0|3,0,0]=4 7363 B12R1.37 C=COCCNC[C@@H]1CCCO1 2230a_100020590478_100000039644 [0,0,0,1,0,0|2,0,0]=3 7364 B12R1.37 C=COCCNC[C@@H]1CCCO1 34a_100020590478_100000039644 [0,0,0,1,0,0|2,0,0]=3 7365 B12R1.37 C=COCCOCC1CCCC1 34a_100000033082_100000740388 [0,0,0,1,0,0|3,0,0]=4 7366 B12R1.37 C=COCCOCC1CCCC1 34a_100000742336_100000039644 [0,0,0,1,0,0|3,0,0]=4 7367 B12R1.37 C=COCCOCC1CCCC1 7a_100000742336_100000039644 [0,0,0,1,0,0|3,0,0]=4 7368 B12R1.37 C=COCCOCC1CCCO1 34a_100000210270_100000039644 [0,0,0,1,0,0|2,0,0]=3 7369 B12R1.37 C=COCCOCC1CCCO1 7a_100000210270_100000039644 [0,0,0,1,0,0|2,0,0]=3 7370 B12R1.37 C=COCCOCC1COCO1 34a_100011216627_100000039644 [0,0,0,1,0,0|3,0,0]=4 7371 B12R1.37 C=COCCOCC1OCCO1 34a_100000033082_100000755774 [0,0,0,1,0,0|3,0,0]=4 7372 B12R1.37 C=COCCOCC1OCCO1 34a_100000087154_100000039644 [0,0,0,1,0,0|3,0,0]=4 7373 B12R1.37 C=COCCOC[C@H]1CCCN1 34a_100000745186_100000039644 [0,0,0,1,0,0|3,0,0]=4 7374 B12R1.37 C=COCCSCC1CCCC1 62a_100000039644_100000740388 [0,0,0,1,0,0|3,0,0]=4 7375 B12R1.37 C=COCCSCC1CCCC1 62a_100000740388_100000039644 [0,0,0,1,0,0|3,0,0]=4 7376 B12R1.37 C=COCCSCC1CCCO1 62a_100000039644_100000203698 [0,0,0,1,0,0|2,0,0]=3 7377 B12R1.37 C=COCCSCC1CCCO1 62a_100000203698_100000039644 [0,0,0,1,0,0|2,0,0]=3 7378 B12R1.37 C=COCCSCC1OCCO1 62a_100000039644_100000755774 [0,0,0,1,0,0|3,0,0]=4 7379 B12R1.37 C=COCCSCC1OCCO1 62a_100000755774_100000039644 [0,0,0,1,0,0|3,0,0]=4 7380 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,0,1,0,0|1,0,2]=4 7381 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,0,0,1,0,0|1,0,2]=4 7382 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,0,0,1,0,0|1,0,2]=4 7383 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,0,0,1,0,0|1,0,2]=4 7384 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,0,0,1,0,0|1,0,2]=4 7385 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,0,0,1,0,0|1,0,2]=4 7386 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,0,0,1,0,0|1,0,2]=4 7387 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,0,0,1,0,0|1,0,2]=4 7388 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,0,0,1,0,0|1,0,2]=4 7389 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,0,0,1,0,0|2,0,1]=4 7390 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,0,0,1,0,0|2,0,1]=4 7391 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,0,0,1,0,0|2,0,1]=4 7392 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [0,0,0,1,0,0|2,0,1]=4 7393 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [0,0,0,1,0,0|2,0,1]=4 7394 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [0,0,0,1,0,0|2,0,1]=4 7395 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [0,0,0,1,0,0|2,0,1]=4 7396 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [0,0,0,1,0,0|2,0,1]=4 7397 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [0,0,0,1,0,0|2,0,1]=4 7398 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [0,0,0,1,0,0|2,0,1]=4 7399 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [0,0,0,1,0,0|2,0,1]=4 7400 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [0,0,0,1,0,0|2,0,1]=4 7401 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,0,0,1,0,0|2,0,1]=4 7402 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [0,0,0,1,0,0|2,0,1]=4 7403 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [0,0,0,1,0,0|2,0,1]=4 7404 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [0,0,0,1,0,0|2,0,1]=4 7405 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [0,0,0,1,0,0|2,0,1]=4 7406 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [0,0,0,1,0,0|2,0,1]=4 7407 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [0,0,0,1,0,0|2,0,1]=4 7408 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [0,0,0,1,0,0|2,0,1]=4 7409 B12R1.37 N#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000687738 [0,0,0,1,0,0|2,0,1]=4 7410 B12R1.37 N#CCCCOCC1CCCO1 7a_100000210270_100000687738 [0,0,0,1,0,0|2,0,1]=4 7411 B12R1.37 N#CCCCSCC1CCCO1 62a_100000203698_100000687738 [0,0,0,1,0,0|2,0,1]=4 7412 B12R1.37 N#CCCCSCC1CCCO1 62a_100000687738_100000203698 [0,0,0,1,0,0|2,0,1]=4 7413 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,0,0,1,0,0|3,0,0]=4 7414 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,0,0,1,0,0|3,0,0]=4 7415 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,0,0,1,0,0|3,0,0]=4 7416 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,0,0,1,0,0|3,0,0]=4 7417 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,0,0,1,0,0|3,0,0]=4 7418 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,0,0,1,0,0|3,0,0]=4 7419 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,0,0,1,0,0|3,0,0]=4 7420 B12R1.37 O=CCCCNCC1OCCO1 2230a_100000036311_200011292268 [0,0,0,1,0,0|3,0,0]=4 7421 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,0,0,1,0,0|2,0,0]=3 7422 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,0,0,1,0,0|3,0,0]=4 7423 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,0,0,1,0,0|2,0,0]=3 7424 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,0,0,1,0,0|3,0,0]=4 7425 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,0,0,1,0,0|3,0,0]=4 7426 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,0,0,1,0,0|2,0,0]=3 7427 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,0,0,1,0,0|2,0,0]=3 7428 B12R1.37 O=CCCCSCC1OCCO1 62a_100000755774_200011292268 [0,0,0,1,0,0|3,0,0]=4 7429 B12R1.37 O=CCCCSCC1OCCO1 62a_200011292268_100000755774 [0,0,0,1,0,0|3,0,0]=4 7430 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,0,0,1,0,0|3,0,0]=4 7431 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,0,0,1,0,0|3,0,0]=4 7432 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,0,0,1,0,0|3,0,0]=4 7433 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,0,0,1,0,0|3,0,0]=4 7434 B12R1.37 O=CCOCCCC1OCCO1 34a_100009871617_200009817547 [0,0,0,1,0,0|3,0,0]=4 7435 B12R1.37 O=CCOCCCC1OCCO1 7a_100009871617_200015260668 [0,0,0,1,0,0|3,0,0]=4 7436 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,0,0,1,0,0|3,0,0]=4 7437 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,0,0,1,0,0|3,0,0]=4 7438 B12R1.37 O=CCSCCCC1OCCO1 62a_200015260668_100000042513 [0,0,0,1,0,0|3,0,0]=4 7439 B12R1.37 OCCCCCCN1CC=CC1 269982a_100015195280_100000766143 [0,0,0,1,0,0|1,0,2]=4 7440 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 7441 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 7442 B12R1.37 OCCCCCCN1CCSC1 2230a_100011215254_100000766143 [0,0,0,1,0,0|2,0,1]=4 7443 B12R1.37 OCCCCCCN1CCSC1 269982a_100011215254_100000766143 [0,0,0,1,0,0|2,0,1]=4 7444 B12R1.37 OCCCCCNC1CC=CC1 2230a_100015188752_100000746330 [0,0,0,1,0,0|1,0,2]=4 7445 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 7446 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 7447 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,0,0,1,0,0|1,0,2]=4 7448 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 7449 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 7450 B12R1.37 OCCCCCNC1CCOC1 2230a_100000762737_100000731011 [0,0,0,1,0,0|2,0,1]=4 7451 B12R1.37 OCCCCCNC1CCOC1 270004a_100000762737_100000752484 [0,0,0,1,0,0|2,0,1]=4 7452 B12R1.37 OCCCCCNC1CCOC1 34a_100000762737_100000690089 [0,0,0,1,0,0|2,0,1]=4 7453 B12R1.37 OCCCCCNC1CCSC1 270004a_100000762737_100000212027 [0,0,0,1,0,0|2,0,1]=4 7454 B12R1.37 OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000746330 [0,0,0,1,0,0|2,0,1]=4 7455 B12R1.37 OCCCCCN[C@H]1CCOC1 2230a_100015188467_100000746330 [0,0,0,1,0,0|2,0,1]=4 7456 B12R1.37 OCCCCCN[C@H]1CCOC1 34a_100015188467_100000746330 [0,0,0,1,0,0|2,0,1]=4 7457 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 7458 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 7459 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,0,0,1,0,0|2,0,1]=4 7460 B12R1.37 OCCCCCOC1CCSC1 7a_100011232664_100000746330 [0,0,0,1,0,0|2,0,1]=4 7461 B12R1.37 OCCCCCO[C@H]1CCOC1 34a_100000717292_100000746330 [0,0,0,1,0,0|2,0,1]=4 7462 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,0,0,1,0,0|1,0,2]=4 7463 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,0,0,1,0,0|1,0,2]=4 7464 B12R1.37 OCCCCCSC1CCOC1 62a_100000746330_100000690089 [0,0,0,1,0,0|2,0,1]=4 7465 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,0,0,1,0,0|1,0,2]=4 7466 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 7467 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,0,0,1,0,0|1,0,2]=4 7468 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,0,0,1,0,0|1,0,2]=4 7469 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 7470 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [0,0,0,1,0,0|2,0,1]=4 7471 B12R1.37 OCCCCNCC1CCOC1 2230a_100000737293_100000210776 [0,0,0,1,0,0|2,0,1]=4 7472 B12R1.37 OCCCCNCC1CCOC1 2230a_100000750430_100000702531 [0,0,0,1,0,0|2,0,1]=4 7473 B12R1.37 OCCCCNCC1CCOC1 34a_100000737293_100011216708 [0,0,0,1,0,0|2,0,1]=4 7474 B12R1.37 OCCCCNCC1CCOC1 34a_100000750430_100011261433 [0,0,0,1,0,0|2,0,1]=4 7475 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [0,0,0,1,0,0|2,0,1]=4 7476 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [0,0,0,1,0,0|2,0,1]=4 7477 B12R1.37 OCCCCOCC1CC=CC1 34a_100000688395_100011216708 [0,0,0,1,0,0|1,0,2]=4 7478 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,0,0,1,0,0|1,0,2]=4 7479 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,0,0,1,0,0|1,0,2]=4 7480 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [0,0,0,1,0,0|2,0,1]=4 7481 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [0,0,0,1,0,0|2,0,1]=4 7482 B12R1.37 OCCCCOCC1CCNC1 34a_100000748654_100011216708 [0,0,0,1,0,0|2,0,1]=4 7483 B12R1.37 OCCCCOCC1CCOC1 34a_100000740260_100011216708 [0,0,0,1,0,0|2,0,1]=4 7484 B12R1.37 OCCCCOC[C@H]1CCCN1 34a_100000745186_100011216708 [0,0,0,1,0,0|2,0,1]=4 7485 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,0,0,1,0,0|1,0,2]=4 7486 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,0,0,1,0,0|1,0,2]=4 7487 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [0,0,0,1,0,0|2,0,1]=4 7488 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [0,0,0,1,0,0|2,0,1]=4 7489 B12R1.37 OCCCCSCC1CCOC1 62a_100000210776_100000702531 [0,0,0,1,0,0|2,0,1]=4 7490 B12R1.37 OCCCCSCC1CCOC1 62a_100000702531_100000210776 [0,0,0,1,0,0|2,0,1]=4 7491 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 7492 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 7493 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,0,0,1,0,0|1,0,2]=4 7494 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,0,0,1,0,0|1,0,2]=4 7495 B12R1.37 OCCCOCCC1CCNC1 34a_100016987287_100000230001 [0,0,0,1,0,0|2,0,1]=4 7496 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,0,0,1,0,0|2,0,1]=4 7497 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,0,0,1,0,0|1,0,2]=4 7498 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,0,0,1,0,0|1,0,2]=4 7499 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,0,0,1,0,0|1,0,2]=4 7500 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,0,0,1,0,0|1,0,2]=4 7501 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,0,0,1,0,0|1,0,2]=4 7502 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,0,0,1,0,0|1,0,2]=4 7503 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,0,0,1,0,0|1,0,2]=4 7504 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,0,0,1,0,0|1,0,2]=4 7505 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,0,0,1,0,0|1,0,2]=4 7506 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,0,0,1,0,0|1,0,2]=4 7507 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,0,0,1,0,0|2,0,1]=4 7508 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,0,0,1,0,0|2,0,1]=4 7509 B12R1.45 C#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000731252 [0,0,0,1,0,0|1,0,2]=4 7510 B12R1.45 C#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215417 [0,0,0,1,0,0|1,0,2]=4 7511 B12R1.45 C#CCCCN1CCC[C@@H]1CO 34a_100000745186_100000695029 [0,0,0,1,0,0|1,0,2]=4 7512 B12R1.45 C=CCCCN1CCCC1C#N 2230a_100000701862_100011713584 [0,0,0,1,0,0|2,0,1]=4 7513 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,0,0,1,0,0|2,0,0]=3 7514 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,0,0,1,0,0|2,0,0]=3 7515 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,0,0,1,0,0|2,0,0]=3 7516 B12R1.45 C=CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100011713584 [0,0,0,1,0,0|2,0,1]=4 7517 B12R1.45 C=CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000757094 [0,0,0,1,0,0|2,0,1]=4 7518 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,0,0,1,0,0|1,0,0]=2 7519 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,0,0,1,0,0|1,0,0]=2 7520 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,0,0,1,0,0|1,0,0]=2 7521 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,0,0,1,0,0|2,0,0]=3 7522 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,0,0,1,0,0|2,0,0]=3 7523 B12R1.45 C=CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000754431 [0,0,0,1,0,0|2,0,1]=4 7524 B12R1.45 C=CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000754431 [0,0,0,1,0,0|2,0,1]=4 7525 B12R1.45 C=CCNCC1CCCN1CC 2230a_100000211693_100000210623 [0,0,0,1,0,0|3,0,0]=4 7526 B12R1.45 C=CCOC[C@H]1CCCN1CC 34a_100011739246_100015514636 [0,0,0,1,0,0|3,0,0]=4 7527 B12R1.45 C=CCOC[C@H]1CCCN1CC 7a_100011739246_100015514636 [0,0,0,1,0,0|3,0,0]=4 7528 B12R1.45 C=COCCN1CCCC1CC 2230a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 7529 B12R1.45 C=COCCN1CCCC1CC 269982a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 7530 B12R1.45 C=COCCN1CCCC1CC 34a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 7531 B12R1.45 C=COCCN1CCC[C@@H]1CO 2230a_100000745186_100000039644 [0,0,0,1,0,0|2,0,0]=3 7532 B12R1.45 C=COCCN1CCC[C@@H]1CO 269982a_100000745186_100000039644 [0,0,0,1,0,0|2,0,0]=3 7533 B12R1.45 C=COCCN1CCC[C@@H]1CO 34a_100000745186_100000039644 [0,0,0,1,0,0|2,0,0]=3 7534 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 7535 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 7536 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,0,0,1,0,0|3,0,0]=4 7537 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,0,0,1,0,0|3,0,0]=4 7538 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 7539 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 7540 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,0,0,1,0,0|1,0,2]=4 7541 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,0,0,1,0,0|2,0,1]=4 7542 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,0,0,1,0,0|2,0,1]=4 7543 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,0,0,1,0,0|1,0,2]=4 7544 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,0,0,1,0,0|1,0,2]=4 7545 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,0,0,1,0,0|1,0,2]=4 7546 B12R1.45 COCCCN1CCC[C@@H]1CO 2230a_100000745186_100000740836 [0,0,0,1,0,0|2,0,1]=4 7547 B12R1.45 COCCCN1CCC[C@@H]1CO 269982a_100000745186_100000740836 [0,0,0,1,0,0|2,0,1]=4 7548 B12R1.45 COCCCN1CCC[C@@H]1CO 34a_100000745186_100000740836 [0,0,0,1,0,0|2,0,1]=4 7549 B12R1.45 N#CC1CCCN1CCCCO 2230a_100000701862_100000210776 [0,0,0,1,0,0|2,0,1]=4 7550 B12R1.45 N#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000687738 [0,0,0,1,0,0|2,0,1]=4 7551 B12R1.45 N#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000687738 [0,0,0,1,0,0|2,0,1]=4 7552 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 34a_100011907464_100000230001 [0,0,0,1,0,0|2,0,1]=4 7553 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 7a_100011907464_100011215043 [0,0,0,1,0,0|2,0,1]=4 7554 B12R1.45 N#C[C@H]1CCCN1CCCCO 2230a_106645074975_100000210776 [0,0,0,1,0,0|2,0,1]=4 7555 B12R1.45 N#C[C@H]1CCCN1CCCCO 269982a_106645074975_100000210776 [0,0,0,1,0,0|2,0,1]=4 7556 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,0,0,1,0,0|2,0,0]=3 7557 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,0,0,1,0,0|2,0,0]=3 7558 B12R1.45 OCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210776 [0,0,0,1,0,0|2,0,1]=4 7559 B12R1.45 OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210776 [0,0,0,1,0,0|2,0,1]=4 7560 B12R1.45 OCCCCN1CCC[C@@H]1CO 34a_100000745186_100011216708 [0,0,0,1,0,0|2,0,1]=4 7561 B12R1.45 OC[C@H]1CCCN1CCCCF 2230a_100000745186_100000729493 [0,0,0,1,0,0|2,0,1]=4 7562 B12R1.45 OC[C@H]1CCCN1CCCCF 269982a_100000745186_100000729493 [0,0,0,1,0,0|2,0,1]=4 7563 B12R1.45 OC[C@H]1CCCN1CCCCF 34a_100000745186_100000729493 [0,0,0,1,0,0|2,0,1]=4 7564 B12R1.121 C#CC1CCCCN1CCC=C 2230a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 7565 B12R1.121 C#CC1CCCCN1CCC=C 269982a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 7566 B12R1.121 C#CC1CCCCN1CCC=C 34a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 7567 B12R1.121 C#CC1CCCCN1CCCO 2230a_200020621307_100000230001 [0,0,0,1,0,0|1,0,2]=4 7568 B12R1.121 C#CC1CCCCN1CCCO 269982a_200020621307_100011215043 [0,0,0,1,0,0|1,0,2]=4 7569 B12R1.121 C#CC1CCCCN1CCCO 34a_200020621307_100000230001 [0,0,0,1,0,0|1,0,2]=4 7570 B12R1.121 C#CCCN1CCCCC1CO 2230a_100000210821_100000688953 [0,0,0,1,0,0|1,0,2]=4 7571 B12R1.121 C#CCCN1CCCCC1CO 269982a_100000210821_100000730999 [0,0,0,1,0,0|1,0,2]=4 7572 B12R1.121 C#CCCN1CCCCC1CO 34a_100000210821_100000688953 [0,0,0,1,0,0|1,0,2]=4 7573 B12R1.121 C/C=C/CN1CCCCC1CO 269982a_100000210821_100102629194 [0,0,0,1,0,0|1,0,2]=4 7574 B12R1.121 C/C=C/CN1CCCCC1CO 34a_100000210821_100102629194 [0,0,0,1,0,0|1,0,2]=4 7575 B12R1.121 C=CCCN1CCCCC1C#N 34a_100016989756_100000754431 [0,0,0,1,0,0|2,0,1]=4 7576 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 7577 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 7578 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 7579 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,0,0,1,0,0|1,0,0]=2 7580 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,0,0,1,0,0|1,0,0]=2 7581 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,0,0,1,0,0|1,0,0]=2 7582 B12R1.121 C=CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 7583 B12R1.121 C=CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 7584 B12R1.121 C=CCCN1CCOC[C@@H]1CC 34a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 7585 B12R1.121 C=CCCN1CCOC[C@H]1CO 2230a_100000717676_100000754431 [0,0,0,1,0,0|2,0,0]=3 7586 B12R1.121 C=CCCN1CCOC[C@H]1CO 269982a_100000717676_100000754431 [0,0,0,1,0,0|2,0,0]=3 7587 B12R1.121 C=CCCN1CCOC[C@H]1CO 34a_100000717676_100000754431 [0,0,0,1,0,0|2,0,0]=3 7588 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,0,0,1,0,0|2,0,0]=3 7589 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,0,0,1,0,0|1,0,0]=2 7590 B12R1.121 C=CCNC1CCCCC1OC 270004a_100020586998_100000740605 [0,0,0,1,0,0|3,0,0]=4 7591 B12R1.121 C=CCNC1CCCCC1OC 34a_100011208099_100015514636 [0,0,0,1,0,0|3,0,0]=4 7592 B12R1.121 C=CCNC1CCOCC1CO 2230a_214813039666_100000210623 [0,0,0,1,0,0|2,0,0]=3 7593 B12R1.121 C=CCNC1CCOCC1CO 34a_214813039666_100015514636 [0,0,0,1,0,0|2,0,0]=3 7594 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,0,0,1,0,0|2,0,0]=3 7595 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,0,0,1,0,0|2,0,0]=3 7596 B12R1.121 C=CCOC1CCCCC1CN 34a_100011216029_100015514636 [0,0,0,1,0,0|2,0,0]=3 7597 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100015514636 [0,0,0,1,0,0|3,0,0]=4 7598 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 7599 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 7600 B12R1.121 CC=CCN1CCCCC1CO 2230a_100000210821_100000070051 [0,0,0,1,0,0|1,0,2]=4 7601 B12R1.121 CC=CCN1CCCCC1CO 34a_100000210821_100000070051 [0,0,0,1,0,0|1,0,2]=4 7602 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,0,0,1,0,0|1,0,2]=4 7603 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,0,0,1,0,0|1,0,2]=4 7604 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,0,0,1,0,0|3,0,0]=4 7605 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,0,0,1,0,0|3,0,0]=4 7606 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,0,0,1,0,0|1,0,2]=4 7607 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,0,0,1,0,0|1,0,2]=4 7608 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 7609 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,0,0,1,0,0|1,0,2]=4 7610 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 7611 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 7612 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 7613 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,0,0,1,0,0|1,0,2]=4 7614 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,0,0,1,0,0|1,0,2]=4 7615 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 7616 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,0,0,1,0,0|1,0,2]=4 7617 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 7618 B12R1.121 CNCCN1CCCCC1CO 2230a_100011473795_200000210301 [0,0,0,1,0,0|2,0,1]=4 7619 B12R1.121 CNCCN1CCCCC1CO 34a_100011473795_200000210301 [0,0,0,1,0,0|2,0,1]=4 7620 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCO 34a_100000708425_100000211926 [0,0,0,1,0,0|2,0,1]=4 7621 B12R1.121 COC1CCCCC1NCCO 270004a_100000210304_100000740605 [0,0,0,1,0,0|2,0,1]=4 7622 B12R1.121 COC1CCCCC1NCCO 34a_100011208099_100000211926 [0,0,0,1,0,0|2,0,1]=4 7623 B12R1.121 COCCN1CCCCC1CO 2230a_100000210821_100011201679 [0,0,0,1,0,0|2,0,1]=4 7624 B12R1.121 COCCN1CCCCC1CO 269982a_100000210821_100000233755 [0,0,0,1,0,0|2,0,1]=4 7625 B12R1.121 COCCN1CCCCC1CO 34a_100000210821_100011201679 [0,0,0,1,0,0|2,0,1]=4 7626 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 34a_200009815850_100000211926 [0,0,0,1,0,0|2,0,1]=4 7627 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 7a_200009815850_100000211926 [0,0,0,1,0,0|2,0,1]=4 7628 B12R1.121 CSCCN1CCCCC1CO 2230a_100000210821_100000751147 [0,0,0,1,0,0|2,0,1]=4 7629 B12R1.121 CSCCN1CCCCC1CO 269982a_100000210821_100000212216 [0,0,0,1,0,0|2,0,1]=4 7630 B12R1.121 CSCCN1CCCCC1CO 34a_100000210821_100000212216 [0,0,0,1,0,0|2,0,1]=4 7631 B12R1.121 N#CC1CCCCN1CCCO 34a_100016989756_100000230001 [0,0,0,1,0,0|2,0,1]=4 7632 B12R1.121 N#CCCN1CCCCC1CO 2230a_100000210821_100011215226 [0,0,0,1,0,0|2,0,1]=4 7633 B12R1.121 N#CCCN1CCCCC1CO 269982a_100000210821_100011215226 [0,0,0,1,0,0|2,0,1]=4 7634 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [0,0,0,1,0,0|3,0,0]=4 7635 B12R1.121 NCC1CCCCC1OCCO 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,1]=4 7636 B12R1.121 O=CCNC1CCOCC1CO 2230a_214813039666_200015260668 [0,0,0,1,0,0|3,0,0]=4 7637 B12R1.121 O=CCNC1CCOCC1CO 34a_214813039666_200009817547 [0,0,0,1,0,0|3,0,0]=4 7638 B12R1.121 OCC1CCCCN1CCCF 2230a_100000210821_100011934791 [0,0,0,1,0,0|2,0,1]=4 7639 B12R1.121 OCC1CCCCN1CCCF 269982a_100000210821_100011934791 [0,0,0,1,0,0|2,0,1]=4 7640 B12R1.121 OCC1CCCCN1CCCF 34a_100000210821_100011934791 [0,0,0,1,0,0|2,0,1]=4 7641 B12R1.121 OCCCC1CCCCN1CF 269982a_100011934581_100015361967 [0,0,0,1,0,0|2,0,1]=4 7642 B12R1.121 OCCCC1CCCCN1CF 34a_100011934581_100015361967 [0,0,0,1,0,0|2,0,1]=4 7643 B12R1.121 OCCCN1CCCCC1CO 2230a_100000210821_100000230001 [0,0,0,1,0,0|2,0,1]=4 7644 B12R1.121 OCCCN1CCCCC1CO 269982a_100000210821_100011215043 [0,0,0,1,0,0|2,0,1]=4 7645 B12R1.121 OCCCN1CCCCC1CO 34a_100000210821_100000230001 [0,0,0,1,0,0|2,0,1]=4 7646 B12R1.121 OCCNC1CCCCC1CO 270004a_100000210304_100009861125 [0,0,0,1,0,0|2,0,1]=4 7647 B12R1.121 [13CH3]NCCN1CCCCC1CO 2230a_100011473795_200025704644 [0,0,0,1,0,0|2,0,1]=4 7648 B12R1.121 [13CH3]NCCN1CCCCC1CO 34a_100011473795_200025704644 [0,0,0,1,0,0|2,0,1]=4 7649 B12R1.169 C#CCN1CCCCC1CCO 2230a_100000211664_100000038162 [0,0,0,1,0,0|1,0,2]=4 7650 B12R1.169 C#CCN1CCCCC1CCO 34a_100000211664_100000184674 [0,0,0,1,0,0|1,0,2]=4 7651 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,0,0,1,0,0|2,0,0]=3 7652 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,0,0,1,0,0|2,0,0]=3 7653 B12R1.169 C=CCN1CCCCC1CC#N 2230a_100000133382_100000210623 [0,0,0,1,0,0|2,0,1]=4 7654 B12R1.169 C=CCN1CCCCC1CC#N 34a_100000133382_100015514636 [0,0,0,1,0,0|2,0,1]=4 7655 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,0,0,1,0,0|2,0,0]=3 7656 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,0,0,1,0,0|2,0,0]=3 7657 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,0,0,1,0,0|2,0,0]=3 7658 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,0,0,1,0,0|1,0,0]=2 7659 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,0,0,1,0,0|1,0,0]=2 7660 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,0,0,1,0,0|1,0,0]=2 7661 B12R1.169 C=CCN1CCCCC1COC 2230a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 7662 B12R1.169 C=CCN1CCCCC1COC 269982a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 7663 B12R1.169 C=CCN1CCCCC1COC 34a_100015184032_100015514636 [0,0,0,1,0,0|3,0,0]=4 7664 B12R1.169 C=CCN1CCOCC1CCC 2230a_102495339903_100000210623 [0,0,0,1,0,0|3,0,0]=4 7665 B12R1.169 C=CCN1CCOCC1CCC 269982a_102495339903_100000210623 [0,0,0,1,0,0|3,0,0]=4 7666 B12R1.169 C=CCN1CCOCC1CCC 34a_102495339903_100015514636 [0,0,0,1,0,0|3,0,0]=4 7667 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,0,0,1,0,0|3,0,0]=4 7668 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,0,0,1,0,0|3,0,0]=4 7669 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,0,0,1,0,0|3,0,0]=4 7670 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 7671 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 7672 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 7673 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 7674 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 7675 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 7676 B12R1.169 COCC1CCCCN1CCO 2230a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 7677 B12R1.169 COCC1CCCCN1CCO 269982a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 7678 B12R1.169 COCC1CCCCN1CCO 34a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 7679 B12R1.169 COCN1CCCCC1CCO 2230a_100000211664_100000766300 [0,0,0,1,0,0|2,0,1]=4 7680 B12R1.169 COCN1CCCCC1CCO 269982a_100000211664_100000766300 [0,0,0,1,0,0|2,0,1]=4 7681 B12R1.169 CSCN1CCCCC1CCO 2230a_100000211664_100011218213 [0,0,0,1,0,0|2,0,1]=4 7682 B12R1.169 CSCN1CCCCC1CCO 269982a_100000211664_100011218213 [0,0,0,1,0,0|2,0,1]=4 7683 B12R1.169 CSCN1CCCCC1CCO 34a_100000211664_100011218213 [0,0,0,1,0,0|2,0,1]=4 7684 B12R1.169 N#CCC1CCCCN1CCO 2230a_100000133382_100000211926 [0,0,0,1,0,0|2,0,1]=4 7685 B12R1.169 N#CCC1CCCCN1CCO 34a_100000133382_100000211926 [0,0,0,1,0,0|2,0,1]=4 7686 B12R1.169 N#CCN1CCCCC1CCO 2230a_100000211664_100011215382 [0,0,0,1,0,0|2,0,1]=4 7687 B12R1.169 N#CCN1CCCCC1CCO 269982a_100000211664_100011214920 [0,0,0,1,0,0|2,0,1]=4 7688 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,0,0,1,0,0|2,0,0]=3 7689 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,0,0,1,0,0|2,0,0]=3 7690 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,0]=3 7691 B12R1.169 OCCC1CCCCN1CCF 2230a_100000211664_100011217306 [0,0,0,1,0,0|2,0,1]=4 7692 B12R1.169 OCCC1CCCCN1CCF 269982a_100000211664_100011217306 [0,0,0,1,0,0|2,0,1]=4 7693 B12R1.169 OCCC1CCCCN1CCF 34a_100000211664_100011217306 [0,0,0,1,0,0|2,0,1]=4 7694 B12R1.169 OCCC1CCCCN1CCO 2230a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 7695 B12R1.169 OCCC1CCCCN1CCO 269982a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 7696 B12R1.169 OCCC1CCCCN1CCO 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 7697 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,0,0,1,0,0|2,0,0]=3 7698 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,0,0,1,0,0|2,0,0]=3 7699 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,0,0,1,0,0|2,0,0]=3 7700 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,0,0,1,0,0|3,0,0]=4 7701 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,0,0,1,0,0|3,0,0]=4 7702 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,0,0,1,0,0|3,0,0]=4 7703 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 7704 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 7705 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 7706 B12R1.267 C#CCCNC1CCCCC1O 34a_100000755551_100000038908 [0,0,0,1,0,0|1,0,2]=4 7707 B12R1.267 C#CCCOC1CCCCC1O 34a_100011215631_100000038908 [0,0,0,1,0,0|1,0,2]=4 7708 B12R1.267 C#CCCSC1CCCCC1O 62a_100000038908_100000688953 [0,0,0,1,0,0|1,0,2]=4 7709 B12R1.267 C#CCCSC1CCCCC1O 62a_100000688953_100000038908 [0,0,0,1,0,0|1,0,2]=4 7710 B12R1.267 C#CCNCC1CCCCC1O 34a_100011216029_100000184674 [0,0,0,1,0,0|1,0,2]=4 7711 B12R1.267 C/C=C/COC1CCCCC1O 34a_100016270725_100000038908 [0,0,0,1,0,0|1,0,2]=4 7712 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100000038908_100102629194 [0,0,0,1,0,0|1,0,2]=4 7713 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100102629194_100000038908 [0,0,0,1,0,0|1,0,2]=4 7714 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,0,0,1,0,0|2,0,0]=3 7715 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,0,0,1,0,0|2,0,0]=3 7716 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,0,0,1,0,0|2,0,0]=3 7717 B12R1.267 C=CCCCN1CCOC[C@@H]1C 2230a_100009815349_100011713584 [0,0,0,1,0,0|3,0,0]=4 7718 B12R1.267 C=CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000757094 [0,0,0,1,0,0|3,0,0]=4 7719 B12R1.267 C=CCCCN1CCOC[C@@H]1C 34a_100009815349_100000757094 [0,0,0,1,0,0|3,0,0]=4 7720 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,0,0,1,0,0|2,0,0]=3 7721 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,0,0,1,0,0|2,0,0]=3 7722 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,0,0,1,0,0|2,0,0]=3 7723 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,0,0,1,0,0|2,0,0]=3 7724 B12R1.267 C=CCCNC1CCNCC1C 270004a_100015191253_100000703950 [0,0,0,1,0,0|3,0,0]=4 7725 B12R1.267 C=CCCNC1CCOCC1C 270004a_100015191253_100000755695 [0,0,0,1,0,0|3,0,0]=4 7726 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000754431 [0,0,0,1,0,0|2,0,0]=3 7727 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000754431 [0,0,0,1,0,0|2,0,0]=3 7728 B12R1.267 C=CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000754431 [0,0,0,1,0,0|2,0,0]=3 7729 B12R1.267 C=CCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000754431 [0,0,0,1,0,0|3,0,0]=4 7730 B12R1.267 C=CCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000754431 [0,0,0,1,0,0|3,0,0]=4 7731 B12R1.267 C=CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000754431 [0,0,0,1,0,0|2,0,0]=3 7732 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011205117_100000754470 [0,0,0,1,0,0|1,0,2]=4 7733 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011214950_100000754431 [0,0,0,1,0,0|1,0,2]=4 7734 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,0,0,1,0,0|2,0,0]=3 7735 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,0,0,1,0,0|2,0,0]=3 7736 B12R1.267 C=CCCOC1CCCCC1Cl 34a_100000038908_100000754431 [0,0,0,1,0,0|2,0,0]=3 7737 B12R1.267 C=CCCOC1CCCCC1Cl 7a_100000038908_100000754431 [0,0,0,1,0,0|2,0,0]=3 7738 B12R1.267 C=CCCOC1CCCCC1F 34a_100011205117_100015423560 [0,0,0,1,0,0|2,0,0]=3 7739 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,0,0,1,0,0|1,0,0]=2 7740 B12R1.267 C=CCCOC1CCNCC1C 34a_100011998114_100000754431 [0,0,0,1,0,0|3,0,0]=4 7741 B12R1.267 C=CCCOC1CNCCC1C 34a_100000696640_100000754431 [0,0,0,1,0,0|3,0,0]=4 7742 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754431 [0,0,0,1,0,0|2,0,0]=3 7743 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754431 [0,0,0,1,0,0|2,0,0]=3 7744 B12R1.267 C=CCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000754431 [0,0,0,1,0,0|3,0,0]=4 7745 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754431 [0,0,0,1,0,0|2,0,0]=3 7746 B12R1.267 C=CCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000754431 [0,0,0,1,0,0|3,0,0]=4 7747 B12R1.267 C=CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000754431 [0,0,0,1,0,0|3,0,0]=4 7748 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000204591_100000754431 [0,0,0,1,0,0|1,0,2]=4 7749 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000754431_100000204591 [0,0,0,1,0,0|1,0,2]=4 7750 B12R1.267 C=CCCSC1CCCCC1F 62a_100000754431_100015423560 [0,0,0,1,0,0|2,0,0]=3 7751 B12R1.267 C=CCCSC1CCCCC1F 62a_100015423560_100000754431 [0,0,0,1,0,0|2,0,0]=3 7752 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,0,0,1,0,0|1,0,0]=2 7753 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,0,0,1,0,0|1,0,0]=2 7754 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,0,0,1,0,0|1,0,0]=2 7755 B12R1.267 C=CCNCC1CCCCN1C 34a_100011228421_100015514636 [0,0,0,1,0,0|3,0,0]=4 7756 B12R1.267 C=CCOCC1CCCCC1=O 34a_100009861125_100015514636 [0,0,0,1,0,0|1,0,2]=4 7757 B12R1.267 C=CCOCC1CCCCC1=O 7a_100009861125_100015514636 [0,0,0,1,0,0|1,0,2]=4 7758 B12R1.267 C=CCOCC1CCCCN1C 34a_100000225079_100015514636 [0,0,0,1,0,0|3,0,0]=4 7759 B12R1.267 C=CCOCC1CCCCN1C 34a_200000210373_100015186950 [0,0,0,1,0,0|3,0,0]=4 7760 B12R1.267 C=CCOCC1COCCC1N 34a_214813039666_100015514636 [0,0,0,1,0,0|3,0,0]=4 7761 B12R1.267 C=CCSCC1CCCCN1C 62a_100000210623_100015185383 [0,0,0,1,0,0|3,0,0]=4 7762 B12R1.267 C=CCSCC1CCCCN1C 62a_100015185383_100000210623 [0,0,0,1,0,0|3,0,0]=4 7763 B12R1.267 C=COCCN1CCCCC1C 2230a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 7764 B12R1.267 C=COCCN1CCCCC1C 269982a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 7765 B12R1.267 C=COCCN1CCCCC1C 34a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 7766 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 7767 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 7768 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 7769 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 7770 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,0,0,1,0,0|1,0,2]=4 7771 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,0,0,1,0,0|1,0,2]=4 7772 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,0,0,1,0,0|3,0,0]=4 7773 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,0,0,1,0,0|3,0,0]=4 7774 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 7775 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 7776 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,0,0,1,0,0|1,0,2]=4 7777 B12R1.267 CC=CCSC1CCCCC1O 62a_100000038908_100000070051 [0,0,0,1,0,0|1,0,2]=4 7778 B12R1.267 CC=CCSC1CCCCC1O 62a_100000070051_100000038908 [0,0,0,1,0,0|1,0,2]=4 7779 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,0,0,1,0,0|3,0,0]=4 7780 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,0,0,1,0,0|3,0,0]=4 7781 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,0,0,1,0,0|3,0,0]=4 7782 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,0,0,1,0,0|3,0,0]=4 7783 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,0,0,1,0,0|1,0,2]=4 7784 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,0,0,1,0,0|3,0,0]=4 7785 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,0,0,1,0,0|3,0,0]=4 7786 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,0,0,1,0,0|1,0,2]=4 7787 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,0,0,1,0,0|1,0,2]=4 7788 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,0,0,1,0,0|1,0,2]=4 7789 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,0,0,1,0,0|3,0,0]=4 7790 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,0,0,1,0,0|3,0,0]=4 7791 B12R1.267 CN1CCCCC1CNCCO 34a_100011228421_100000211926 [0,0,0,1,0,0|2,0,1]=4 7792 B12R1.267 CN1CCCCC1CNCCO 34a_100016990907_100015186950 [0,0,0,1,0,0|2,0,1]=4 7793 B12R1.267 CN1CCCCC1COCCO 34a_100000225079_100000211926 [0,0,0,1,0,0|2,0,1]=4 7794 B12R1.267 CN1CCCCC1CSCCO 62a_100000211926_100015185383 [0,0,0,1,0,0|2,0,1]=4 7795 B12R1.267 CN1CCCCC1CSCCO 62a_100015185383_100000211926 [0,0,0,1,0,0|2,0,1]=4 7796 B12R1.267 COCCOC1CCCCC1O 34a_100000210237_100000038908 [0,0,0,1,0,0|2,0,1]=4 7797 B12R1.267 COCCSC1CCCCC1O 62a_100000038908_100000233755 [0,0,0,1,0,0|2,0,1]=4 7798 B12R1.267 COCCSC1CCCCC1O 62a_100000233755_100000038908 [0,0,0,1,0,0|2,0,1]=4 7799 B12R1.267 CSCCOC1CCCCC1O 34a_100000230434_100000038908 [0,0,0,1,0,0|2,0,1]=4 7800 B12R1.267 CSCCSC1CCCCC1O 62a_100000038908_100000751147 [0,0,0,1,0,0|2,0,1]=4 7801 B12R1.267 CSCCSC1CCCCC1O 62a_100000212216_100000038908 [0,0,0,1,0,0|2,0,1]=4 7802 B12R1.267 CSCNCC1CCCCC1O 34a_100011216029_100011218213 [0,0,0,1,0,0|2,0,1]=4 7803 B12R1.267 N#CCCSC1CCCCC1O 62a_100000038908_100011215226 [0,0,0,1,0,0|2,0,1]=4 7804 B12R1.267 N#CCCSC1CCCCC1O 62a_100011215226_100000038908 [0,0,0,1,0,0|2,0,1]=4 7805 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,0,0,1,0,0|3,0,0]=4 7806 B12R1.267 NCCCOC1CCCCC1O 34a_100000182051_100000038908 [0,0,0,1,0,0|2,0,1]=4 7807 B12R1.267 NOCCOC1CCCCC1O 34a_100000700252_100000038908 [0,0,0,1,0,0|3,0,0]=4 7808 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCO 34a_100015191688_100000230001 [0,0,0,1,0,0|2,0,1]=4 7809 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,0,0,1,0,0|3,0,0]=4 7810 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,0,0,1,0,0|3,0,0]=4 7811 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,0,0,1,0,0|2,0,0]=3 7812 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,0,0,1,0,0|2,0,0]=3 7813 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,0,0,1,0,0|3,0,0]=4 7814 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,0,0,1,0,0|3,0,0]=4 7815 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,0,0,1,0,0|3,0,0]=4 7816 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,0,0,1,0,0|3,0,0]=4 7817 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,0,0,1,0,0|3,0,0]=4 7818 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,0,0,1,0,0|2,0,0]=3 7819 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,0,0,1,0,0|3,0,0]=4 7820 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,0,0,1,0,0|3,0,0]=4 7821 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,0,0,1,0,0|2,0,0]=3 7822 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,0,0,1,0,0|2,0,0]=3 7823 B12R1.267 O=C1CCOCC1SCCCO 62a_100011215043_100012180262 [0,0,0,1,0,0|3,0,0]=4 7824 B12R1.267 O=C1CCOCC1SCCCO 62a_100012180262_100011215043 [0,0,0,1,0,0|3,0,0]=4 7825 B12R1.267 O=C1NCCCC1NCCCO 2230a_100000747585_100000230001 [0,0,0,1,0,0|3,0,0]=4 7826 B12R1.267 O=C1NCCCC1NCCCO 34a_100000747585_100000230001 [0,0,0,1,0,0|3,0,0]=4 7827 B12R1.267 O=C1NCCCC1OCCCO 34a_100000073722_100000230001 [0,0,0,1,0,0|3,0,0]=4 7828 B12R1.267 O=C1NCCCC1SCCCO 62a_100000687798_100011215043 [0,0,0,1,0,0|3,0,0]=4 7829 B12R1.267 O=C1NCCCC1SCCCO 62a_100011215043_100000687798 [0,0,0,1,0,0|3,0,0]=4 7830 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,0]=3 7831 B12R1.267 OC1CCCCC1CNCCF 34a_100011216029_100011217306 [0,0,0,1,0,0|2,0,1]=4 7832 B12R1.267 OC1CCCCC1NCCCF 34a_100015189416_100000038908 [0,0,0,1,0,0|2,0,1]=4 7833 B12R1.267 OC1CCCCC1OCCCBr 34a_100011217188_100000038908 [0,0,0,1,0,0|2,0,1]=4 7834 B12R1.267 OC1CCCCC1OCCCCl 34a_100000230001_100000038908 [0,0,0,1,0,0|2,0,1]=4 7835 B12R1.267 OC1CCCCC1OCCCF 34a_100000759539_100000038908 [0,0,0,1,0,0|2,0,1]=4 7836 B12R1.267 OC1CCCCC1SCCCF 62a_100000038908_100011934791 [0,0,0,1,0,0|2,0,1]=4 7837 B12R1.267 OC1CCCCC1SCCCF 62a_100011934791_100000038908 [0,0,0,1,0,0|2,0,1]=4 7838 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000230001 [0,0,0,1,0,0|2,0,1]=4 7839 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000230001 [0,0,0,1,0,0|2,0,1]=4 7840 B12R1.267 OCCCOC1CCCCC1Cl 34a_100000038908_100000230001 [0,0,0,1,0,0|2,0,1]=4 7841 B12R1.267 OCCCOC1CCCCC1Cl 7a_100000038908_100011215043 [0,0,0,1,0,0|2,0,1]=4 7842 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000230001 [0,0,0,1,0,0|2,0,1]=4 7843 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215043 [0,0,0,1,0,0|2,0,1]=4 7844 B12R1.267 OCCCSC1CCCCC1F 62a_100011215043_100015423560 [0,0,0,1,0,0|2,0,1]=4 7845 B12R1.267 OCCCSC1CCCCC1F 62a_100015423560_100011215043 [0,0,0,1,0,0|2,0,1]=4 7846 B12R1.267 OCCCSC1CCCCC1O 62a_100000038908_100011215043 [0,0,0,1,0,0|2,0,1]=4 7847 B12R1.267 OCCCSC1CCCCC1O 62a_100011215043_100000038908 [0,0,0,1,0,0|2,0,1]=4 7848 B12R1.267 OCCNCC1CCCCC1O 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,1]=4 7849 B12R1.271 C=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000700193 [0,0,0,1,0,0|2,0,0]=3 7850 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000700193 [0,0,0,1,0,0|2,0,0]=3 7851 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000700193 [0,0,0,1,0,0|2,0,0]=3 7852 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,0,0,1,0,0|2,0,0]=3 7853 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,0,0,1,0,0|2,0,0]=3 7854 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,0,0,1,0,0|3,0,0]=4 7855 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 7856 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 7857 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [0,0,0,1,0,0|3,0,0]=4 7858 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [0,0,0,1,0,0|3,0,0]=4 7859 B12R1.271 OCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000766143 [0,0,0,1,0,0|2,0,1]=4 7860 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000766143 [0,0,0,1,0,0|2,0,1]=4 7861 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000766143 [0,0,0,1,0,0|2,0,1]=4 7862 B12R1.272 BrCCCCCOCC1CCO1 34a_100000746331_100000103362 [0,0,0,1,0,0|2,0,1]=4 7863 B12R1.272 BrCCCCCOCC1CCO1 7a_100000746331_100000103362 [0,0,0,1,0,0|2,0,1]=4 7864 B12R1.272 C#CCCCCNCC1CCO1 2230a_100000706060_100000103362 [0,0,0,1,0,0|1,0,2]=4 7865 B12R1.272 C#CCCCCNCC1CCO1 34a_100000706060_100000103362 [0,0,0,1,0,0|1,0,2]=4 7866 B12R1.272 C#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100010269958 [0,0,0,1,0,0|1,0,2]=4 7867 B12R1.272 C#CCCCCNC[C@@H]1CCO1 34a_100020831831_100010269958 [0,0,0,1,0,0|1,0,2]=4 7868 B12R1.272 C#CCCCCOCC1CCO1 34a_100000039022_100010269958 [0,0,0,1,0,0|1,0,2]=4 7869 B12R1.272 C#CCCCCOCC1CCO1 34a_100000766709_100000103362 [0,0,0,1,0,0|1,0,2]=4 7870 B12R1.272 C#CCCCCOCC1CCO1 7a_100000766709_100000103362 [0,0,0,1,0,0|1,0,2]=4 7871 B12R1.272 C#CCCCCSCC1CCO1 62a_100000103362_100010269958 [0,0,0,1,0,0|1,0,2]=4 7872 B12R1.272 C#CCCCCSCC1CCO1 62a_100010269958_100000103362 [0,0,0,1,0,0|1,0,2]=4 7873 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,0,0,1,0,0|2,0,0]=3 7874 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,0,0,1,0,0|2,0,0]=3 7875 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,0,0,1,0,0|2,0,0]=3 7876 B12R1.272 C=CCCCCCNC1COC1 2230a_100016991112_100000700193 [0,0,0,1,0,0|3,0,0]=4 7877 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,0,0,1,0,0|2,0,0]=3 7878 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,0,0,1,0,0|2,0,0]=3 7879 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 7880 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 7881 B12R1.272 C=CCCCCCOC1CSC1 7a_100000072292_100000700193 [0,0,0,1,0,0|3,0,0]=4 7882 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,0,0,1,0,0|2,0,0]=3 7883 B12R1.272 C=CCCCCCSC1COC1 62a_100000700193_100009818527 [0,0,0,1,0,0|3,0,0]=4 7884 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,0,0,1,0,0|2,0,0]=3 7885 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,0,0,1,0,0|2,0,0]=3 7886 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,0,0,1,0,0|2,0,0]=3 7887 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,0,0,1,0,0|2,0,0]=3 7888 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,0,0,1,0,0|2,0,0]=3 7889 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,0,0,1,0,0|1,0,0]=2 7890 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,0,0,1,0,0|1,0,0]=2 7891 B12R1.272 C=CCCCCNCC1COC1 2230a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 7892 B12R1.272 C=CCCCCNCC1COC1 2230a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 7893 B12R1.272 C=CCCCCNCC1COC1 34a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 7894 B12R1.272 C=CCCCCNCC1COC1 34a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 7895 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,0,0,1,0,0|1,0,0]=2 7896 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,0,0,1,0,0|1,0,0]=2 7897 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,0,0,1,0,0|2,0,0]=3 7898 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,0,0,1,0,0|2,0,0]=3 7899 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,0,0,1,0,0|2,0,0]=3 7900 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,0,0,1,0,0|1,0,0]=2 7901 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,0,0,1,0,0|1,0,0]=2 7902 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,0,0,1,0,0|1,0,0]=2 7903 B12R1.272 C=CCCCCOCC1CNC1 34a_100016987283_100011215482 [0,0,0,1,0,0|3,0,0]=4 7904 B12R1.272 C=CCCCCOCC1COC1 34a_100000060846_100011215482 [0,0,0,1,0,0|3,0,0]=4 7905 B12R1.272 C=CCCCCOCC1COC1 34a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 7906 B12R1.272 C=CCCCCOCC1COC1 7a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 7907 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,0,0,1,0,0|2,0,0]=3 7908 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,0,0,1,0,0|2,0,0]=3 7909 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,0,0,1,0,0|1,0,0]=2 7910 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,0,0,1,0,0|1,0,0]=2 7911 B12R1.272 C=CCCCCSCC1COC1 62a_100010264016_100011215482 [0,0,0,1,0,0|3,0,0]=4 7912 B12R1.272 C=CCCCCSCC1COC1 62a_100011215482_100010264016 [0,0,0,1,0,0|3,0,0]=4 7913 B12R1.272 C=CCCCOCCC1COC1 34a_100009855314_100000757094 [0,0,0,1,0,0|3,0,0]=4 7914 B12R1.272 C=CCOCCOCC1CCC1 34a_100000037705_100000763275 [0,0,0,1,0,0|3,0,0]=4 7915 B12R1.272 C=CCOCCOCC1CCC1 7a_100000037705_100000763275 [0,0,0,1,0,0|3,0,0]=4 7916 B12R1.272 C=CCOCCOCC1CCO1 34a_100000037705_100000103362 [0,0,0,1,0,0|2,0,0]=3 7917 B12R1.272 C=CCOCCOCC1CCO1 7a_100000037705_100000103362 [0,0,0,1,0,0|2,0,0]=3 7918 B12R1.272 C=COCCCCOC1CCC1 34a_100000031558_100000749161 [0,0,0,1,0,0|3,0,0]=4 7919 B12R1.272 C=COCCCNCC1CCC1 2230a_100000210767_100000763275 [0,0,0,1,0,0|3,0,0]=4 7920 B12R1.272 C=COCCCNCC1CCC1 269862a_100000210767_100000753134 [0,0,0,1,0,0|3,0,0]=4 7921 B12R1.272 C=COCCCNCC1CCC1 34a_100000210767_100000763275 [0,0,0,1,0,0|3,0,0]=4 7922 B12R1.272 C=COCCCNCC1CCO1 2230a_100000210767_100000103362 [0,0,0,1,0,0|2,0,0]=3 7923 B12R1.272 C=COCCCNCC1CCO1 34a_100000210767_100000103362 [0,0,0,1,0,0|2,0,0]=3 7924 B12R1.272 CC=CCCCOCC1CCO1 34a_100020645299_100000103362 [0,0,0,1,0,0|1,0,2]=4 7925 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,0,0,1,0,0|1,0,2]=4 7926 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 7927 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 7928 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,0,0,1,0,0|1,0,2]=4 7929 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 7930 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 7931 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,0,0,1,0,0|1,0,2]=4 7932 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,0,0,1,0,0|1,0,2]=4 7933 B12R1.272 COCCCCNC[C@@H]1CCO1 2230a_100020831831_100000730899 [0,0,0,1,0,0|2,0,1]=4 7934 B12R1.272 COCCCCNC[C@@H]1CCO1 34a_100020831831_100000755781 [0,0,0,1,0,0|2,0,1]=4 7935 B12R1.272 COCCCCOCC1CCO1 34a_100000039022_100000755781 [0,0,0,1,0,0|2,0,1]=4 7936 B12R1.272 COCCCCOCC1CCO1 34a_100000740925_100000103362 [0,0,0,1,0,0|2,0,1]=4 7937 B12R1.272 COCCCCSCC1CCO1 62a_100000103362_100000730899 [0,0,0,1,0,0|2,0,1]=4 7938 B12R1.272 COCCCCSCC1CCO1 62a_100000730899_100000103362 [0,0,0,1,0,0|2,0,1]=4 7939 B12R1.272 CSCCCCOCC1CCO1 34a_100011217163_100000103362 [0,0,0,1,0,0|2,0,1]=4 7940 B12R1.272 CSCCCCOCC1CCO1 7a_100011217163_100000103362 [0,0,0,1,0,0|2,0,1]=4 7941 B12R1.272 ClCCCCCOCC1CCO1 34a_100000746330_100000103362 [0,0,0,1,0,0|2,0,1]=4 7942 B12R1.272 ClCCCCCOCC1CCO1 7a_100000746330_100000103362 [0,0,0,1,0,0|2,0,1]=4 7943 B12R1.272 FCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729378 [0,0,0,1,0,0|2,0,1]=4 7944 B12R1.272 FCCCCCNC[C@@H]1CCO1 34a_100020831831_100000729378 [0,0,0,1,0,0|2,0,1]=4 7945 B12R1.272 FCCCCCOCC1CCO1 34a_100000039022_100000729378 [0,0,0,1,0,0|2,0,1]=4 7946 B12R1.272 FCCCCCSCC1CCO1 62a_100000103362_100000729378 [0,0,0,1,0,0|2,0,1]=4 7947 B12R1.272 FCCCCCSCC1CCO1 62a_100000729378_100000103362 [0,0,0,1,0,0|2,0,1]=4 7948 B12R1.272 ICCCCCOCC1CCO1 34a_200012148887_100000103362 [0,0,0,1,0,0|2,0,1]=4 7949 B12R1.272 ICCCCCOCC1CCO1 7a_200012148887_100000103362 [0,0,0,1,0,0|2,0,1]=4 7950 B12R1.272 N#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000211819 [0,0,0,1,0,0|2,0,1]=4 7951 B12R1.272 N#CCCCCSCC1CCO1 62a_100000103362_100000211819 [0,0,0,1,0,0|2,0,1]=4 7952 B12R1.272 N#CCCCCSCC1CCO1 62a_100011219923_100000103362 [0,0,0,1,0,0|2,0,1]=4 7953 B12R1.272 NCCCCCOCC1CCO1 34a_100000762737_100000103362 [0,0,0,1,0,0|2,0,1]=4 7954 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,0,0,1,0,0|3,0,0]=4 7955 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,0,0,1,0,0|3,0,0]=4 7956 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,0,0,1,0,0|3,0,0]=4 7957 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,0,0,1,0,0|2,0,0]=3 7958 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,0,0,1,0,0|3,0,0]=4 7959 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,0,0,1,0,0|3,0,0]=4 7960 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,0,0,1,0,0|2,0,0]=3 7961 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,0,0,1,0,0|2,0,0]=3 7962 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,0,0,1,0,0|1,0,2]=4 7963 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 7964 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,0,0,1,0,0|1,0,2]=4 7965 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|1,0,2]=4 7966 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 7967 B12R1.272 OCCCCCCNC1COC1 2230a_100016991112_100000766143 [0,0,0,1,0,0|2,0,1]=4 7968 B12R1.272 OCCCCCCNC1COC1 34a_100000686447_100009818527 [0,0,0,1,0,0|2,0,1]=4 7969 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,0,0,1,0,0|1,0,2]=4 7970 B12R1.272 OCCCCCCOC1CSC1 7a_100000072292_100000766143 [0,0,0,1,0,0|2,0,1]=4 7971 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,0,0,1,0,0|1,0,2]=4 7972 B12R1.272 OCCCCCCSC1COC1 62a_100000766143_100009818527 [0,0,0,1,0,0|2,0,1]=4 7973 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 7974 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 7975 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,0,0,1,0,0|1,0,2]=4 7976 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 7977 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 7978 B12R1.272 OCCCCCNCC1CCO1 2230a_100000762737_100000103362 [0,0,0,1,0,0|2,0,1]=4 7979 B12R1.272 OCCCCCNCC1CCO1 34a_100000762737_100000103362 [0,0,0,1,0,0|2,0,1]=4 7980 B12R1.272 OCCCCCNCC1COC1 2230a_100000762737_100010264016 [0,0,0,1,0,0|2,0,1]=4 7981 B12R1.272 OCCCCCNCC1COC1 2230a_100015281925_100000746330 [0,0,0,1,0,0|2,0,1]=4 7982 B12R1.272 OCCCCCNCC1COC1 34a_100000762737_100010264016 [0,0,0,1,0,0|2,0,1]=4 7983 B12R1.272 OCCCCCNCC1COC1 34a_100015281925_100000746330 [0,0,0,1,0,0|2,0,1]=4 7984 B12R1.272 OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000746330 [0,0,0,1,0,0|2,0,1]=4 7985 B12R1.272 OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000746330 [0,0,0,1,0,0|2,0,1]=4 7986 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,0,0,1,0,0|1,0,2]=4 7987 B12R1.272 OCCCCCOCC1CCO1 34a_100000039022_100000746330 [0,0,0,1,0,0|2,0,1]=4 7988 B12R1.272 OCCCCCOCC1CNC1 34a_100016987283_100000746330 [0,0,0,1,0,0|2,0,1]=4 7989 B12R1.272 OCCCCCOCC1COC1 34a_100000060846_100000746330 [0,0,0,1,0,0|2,0,1]=4 7990 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,0,0,1,0,0|1,0,2]=4 7991 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,0,0,1,0,0|1,0,2]=4 7992 B12R1.272 OCCCCCSCC1CCO1 62a_100000103362_100000746330 [0,0,0,1,0,0|2,0,1]=4 7993 B12R1.272 OCCCCCSCC1CCO1 62a_100000746330_100000103362 [0,0,0,1,0,0|2,0,1]=4 7994 B12R1.272 OCCCCCSCC1COC1 62a_100000746330_100010264016 [0,0,0,1,0,0|2,0,1]=4 7995 B12R1.272 OCCCCCSCC1COC1 62a_100010264016_100000746330 [0,0,0,1,0,0|2,0,1]=4 7996 B12R1.272 OCCCCOCCC1COC1 34a_100009855314_100011216708 [0,0,0,1,0,0|2,0,1]=4 7997 B12R1.320 C=CCCN1CCC[C@H]1COC 2230a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 7998 B12R1.320 C=CCCN1CCC[C@H]1COC 269982a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 7999 B12R1.320 C=CCCN1CCC[C@H]1COC 34a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 8000 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,0,0,1,0,0|2,0,0]=3 8001 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,0,0,1,0,0|1,0,2]=4 8002 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,0,0,1,0,0|1,0,2]=4 8003 B12R1.320 COC[C@@H]1CCCN1CCCO 2230a_100020646714_100000230001 [0,0,0,1,0,0|2,0,1]=4 8004 B12R1.320 COC[C@@H]1CCCN1CCCO 269982a_100020646714_100011215043 [0,0,0,1,0,0|2,0,1]=4 8005 B12R1.320 COC[C@@H]1CCCN1CCCO 34a_100020646714_100000230001 [0,0,0,1,0,0|2,0,1]=4 8006 B12R1.329 C#CCOC1C=CCCCCC1 34a_100000688657_100000184674 [0,0,0,1,0,0|2,0,1]=4 8007 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 8008 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 8009 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 8010 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,0,0,1,0,0|2,0,0]=3 8011 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,0,0,1,0,0|2,0,0]=3 8012 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,0,0,1,0,0|2,0,0]=3 8013 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [0,0,0,1,0,0|2,0,1]=4 8014 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,0,1,0,0|2,0,0]=3 8015 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,0,1,0,0|2,0,0]=3 8016 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,0,0,1,0,0|2,0,0]=3 8017 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,0,0,1,0,0|2,0,1]=4 8018 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,0,0,1,0,0|2,0,1]=4 8019 B12R1.329 CSCOC1C=CCCCCC1 34a_100000688657_100011218213 [0,0,0,1,0,0|3,0,0]=4 8020 B12R1.329 FCCOC1C=CCCCCC1 34a_100000688657_100011217306 [0,0,0,1,0,0|2,0,0]=3 8021 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,0,0,1,0,0|3,0,0]=4 8022 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,0,0,1,0,0|3,0,0]=4 8023 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,0,0,1,0,0|1,0,2]=4 8024 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,0,0,1,0,0|3,0,0]=4 8025 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,0,0,1,0,0|3,0,0]=4 8026 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 8027 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,0,0,1,0,0|1,0,2]=4 8028 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 8029 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,0,0,1,0,0|1,0,2]=4 8030 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,0,0,1,0,0|1,0,2]=4 8031 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,0,0,1,0,0|1,0,2]=4 8032 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,0,0,1,0,0|1,0,0]=2 8033 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,0,0,1,0,0|1,0,2]=4 8034 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,0,0,1,0,0|1,0,2]=4 8035 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,0,0,1,0,0|2,0,1]=4 8036 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,0,0,1,0,0|2,0,1]=4 8037 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_100011215417_200016002552 [0,0,0,1,0,0|1,0,2]=4 8038 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215417 [0,0,0,1,0,0|1,0,2]=4 8039 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,0,0,1,0,0|2,0,0]=3 8040 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,0,0,1,0,0|2,0,0]=3 8041 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 8042 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 8043 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 8044 B12R1.372 C=CCCCCN1CCSC1C 2230a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 8045 B12R1.372 C=CCCCCN1CCSC1C 269982a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 8046 B12R1.372 C=CCCCCN1CCSC1C 34a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 8047 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [0,0,0,1,0,0|1,0,2]=4 8048 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [0,0,0,1,0,0|1,0,2]=4 8049 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,0,0,1,0,0|2,0,0]=3 8050 B12R1.372 C=CCCCNC1CCOC1C 270004a_100000700776_100000691750 [0,0,0,1,0,0|3,0,0]=4 8051 B12R1.372 C=CCCCNC1COCC1O 34a_100000700776_200000725654 [0,0,0,1,0,0|2,0,0]=3 8052 B12R1.372 C=CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011713584 [0,0,0,1,0,0|2,0,0]=3 8053 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,0,0,1,0,0|1,0,2]=4 8054 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,0,0,1,0,0|1,0,2]=4 8055 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,0,0,1,0,0|1,0,2]=4 8056 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,0,0,1,0,0|2,0,0]=3 8057 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,0,0,1,0,0|2,0,0]=3 8058 B12R1.372 C=CCCCOC1COCC1O 34a_100000758997_200000725654 [0,0,0,1,0,0|2,0,0]=3 8059 B12R1.372 C=CCCCOC1COCC1O 7a_100000758997_200000725654 [0,0,0,1,0,0|2,0,0]=3 8060 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757094 [0,0,0,1,0,0|2,0,0]=3 8061 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757094 [0,0,0,1,0,0|2,0,0]=3 8062 B12R1.372 C=CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000757094 [0,0,0,1,0,0|3,0,0]=4 8063 B12R1.372 C=CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000757094 [0,0,0,1,0,0|3,0,0]=4 8064 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [0,0,0,1,0,0|1,0,2]=4 8065 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [0,0,0,1,0,0|1,0,2]=4 8066 B12R1.372 C=CCCCSC1COCC1O 62a_100011713584_200000725654 [0,0,0,1,0,0|2,0,0]=3 8067 B12R1.372 C=CCCCSC1COCC1O 62a_200000725654_100000757094 [0,0,0,1,0,0|2,0,0]=3 8068 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,0,0,1,0,0|1,0,0]=2 8069 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,0,0,1,0,0|1,0,0]=2 8070 B12R1.372 C=CCCOCC1CCCN1C 34a_100000743107_100000754431 [0,0,0,1,0,0|3,0,0]=4 8071 B12R1.372 C=CCNCCC1CCCN1C 2230a_100020586998_100000005710 [0,0,0,1,0,0|3,0,0]=4 8072 B12R1.372 C=CCOCCC1CCCN1C 34a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 8073 B12R1.372 C=CCOCCC1CCCN1C 34a_200000210373_100000005710 [0,0,0,1,0,0|3,0,0]=4 8074 B12R1.372 C=CCOCCC1CCCN1C 7a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 8075 B12R1.372 C=CCSCCC1CCCN1C 62a_100000005710_100000210623 [0,0,0,1,0,0|3,0,0]=4 8076 B12R1.372 C=CCSCCC1CCCN1C 62a_100000210623_100000005710 [0,0,0,1,0,0|3,0,0]=4 8077 B12R1.372 C=COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000039644 [0,0,0,1,0,0|3,0,0]=4 8078 B12R1.372 C=COCCOC1CCCC1C 34a_100011216460_100000039644 [0,0,0,1,0,0|3,0,0]=4 8079 B12R1.372 C=COCCOC1CCCC1C 7a_100011216460_100000039644 [0,0,0,1,0,0|3,0,0]=4 8080 B12R1.372 C=COCCOC1COCC1O 34a_100000033082_200000725654 [0,0,0,1,0,0|3,0,0]=4 8081 B12R1.372 C=COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000039644 [0,0,0,1,0,0|3,0,0]=4 8082 B12R1.372 C=COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000039644 [0,0,0,1,0,0|3,0,0]=4 8083 B12R1.372 C=COCCSC1COCC1O 62a_100000039644_200000725654 [0,0,0,1,0,0|3,0,0]=4 8084 B12R1.372 C=COCCSC1COCC1O 62a_200000725654_100000039644 [0,0,0,1,0,0|3,0,0]=4 8085 B12R1.372 C=COCCS[C@@H]1CCC[C@H]1O 62a_100000039644_200016002552 [0,0,0,1,0,0|2,0,0]=3 8086 B12R1.372 C=COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000039644 [0,0,0,1,0,0|2,0,0]=3 8087 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,0,0,1,0,0|1,0,2]=4 8088 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,0,0,1,0,0|3,0,0]=4 8089 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,0,0,1,0,0|1,0,2]=4 8090 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,0,0,1,0,0|1,0,2]=4 8091 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|3,0,0]=4 8092 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|3,0,0]=4 8093 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|3,0,0]=4 8094 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|3,0,0]=4 8095 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|3,0,0]=4 8096 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|3,0,0]=4 8097 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,0,0,1,0,0|1,0,2]=4 8098 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,0,0,1,0,0|1,0,2]=4 8099 B12R1.372 CN1CCCC1CCNCCO 2230a_100016997473_100000005710 [0,0,0,1,0,0|2,0,1]=4 8100 B12R1.372 CN1CCCC1CCNCCO 34a_100016990907_100000005710 [0,0,0,1,0,0|2,0,1]=4 8101 B12R1.372 CN1CCCC1CCOCCO 34a_100011215177_100000211926 [0,0,0,1,0,0|2,0,1]=4 8102 B12R1.372 CN1CCCC1CCOCCO 7a_100011215177_100000211926 [0,0,0,1,0,0|2,0,1]=4 8103 B12R1.372 CN1CCCC1CCSCCO 62a_100000005710_100000211926 [0,0,0,1,0,0|2,0,1]=4 8104 B12R1.372 CN1CCCC1CCSCCO 62a_100000211926_100000005710 [0,0,0,1,0,0|2,0,1]=4 8105 B12R1.372 CN1CCCC1COCCCO 34a_100000743107_100000230001 [0,0,0,1,0,0|2,0,1]=4 8106 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_100000709357_200016002552 [0,0,0,1,0,0|2,0,1]=4 8107 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709357 [0,0,0,1,0,0|2,0,1]=4 8108 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,0,0,1,0,0|3,0,0]=4 8109 B12R1.372 C[C@@H]1CCCN1CCCCC=O 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8382 B12R1.383 C=CCCCCSC1CCC1=O 62a_100011215482_100009892977 [0,0,0,1,0,0|1,0,2]=4 8383 B12R1.383 C=CCCNCCC1CCC1=O 2230a_100015191253_200016118888 [0,0,0,1,0,0|1,0,2]=4 8384 B12R1.383 C=CCCSCCC1CCC1=O 62a_100000754431_200016118888 [0,0,0,1,0,0|1,0,2]=4 8385 B12R1.383 C=CCCSCCC1CCC1=O 62a_200016118888_100000754431 [0,0,0,1,0,0|1,0,2]=4 8386 B12R1.383 CC1CCN1CCCCCC=O 269982a_100000755817_100000139337 [0,0,0,1,0,0|3,0,0]=4 8387 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 8388 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 8389 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,0,0,1,0,0|3,0,0]=4 8390 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,1,0,0|3,0,0]=4 8391 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,1,0,0|3,0,0]=4 8392 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,1,0,0|3,0,0]=4 8393 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,0,0,1,0,0|3,0,0]=4 8394 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,0,0,1,0,0|3,0,0]=4 8395 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,0,0,1,0,0|3,0,0]=4 8396 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,0,0,1,0,0|3,0,0]=4 8397 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,1,0,0|3,0,0]=4 8398 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,1,0,0|3,0,0]=4 8399 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,1,0,0|3,0,0]=4 8400 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,1,0,0|3,0,0]=4 8401 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,1,0,0|3,0,0]=4 8402 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,1,0,0|2,0,0]=3 8403 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,1,0,0|2,0,0]=3 8404 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,1,0,0|2,0,0]=3 8405 B12R1.383 O=C1CCC1NCCOCCO 34a_100000211614_100009892977 [0,0,0,1,0,0|3,0,0]=4 8406 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,1,0,0|3,0,0]=4 8407 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,1,0,0|3,0,0]=4 8408 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,1,0,0|3,0,0]=4 8409 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,1,0,0|3,0,0]=4 8410 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,1,0,0|3,0,0]=4 8411 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,1,0,0|3,0,0]=4 8412 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,1,0,0|3,0,0]=4 8413 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,1,0,0|3,0,0]=4 8414 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,1,0,0|2,0,0]=3 8415 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,1,0,0|2,0,0]=3 8416 B12R1.383 O=C1CCC1SCCOCCO 62a_100009892977_100011215305 [0,0,0,1,0,0|3,0,0]=4 8417 B12R1.383 O=C1CCC1SCCOCCO 62a_100011215305_100009892977 [0,0,0,1,0,0|3,0,0]=4 8418 B12R1.458 C=CCCCN1CCC1COC 2230a_100015195929_100011713584 [0,0,0,1,0,0|3,0,0]=4 8419 B12R1.458 C=CCCCN1CCC1COC 269982a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 8420 B12R1.458 C=CCCCN1CCC1COC 34a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 8421 B12R1.458 COCC1CCN1CCCCO 2230a_100015195929_100000210776 [0,0,0,1,0,0|2,0,1]=4 8422 B12R1.458 COCC1CCN1CCCCO 269982a_100015195929_100000210776 [0,0,0,1,0,0|2,0,1]=4 8423 B12R1.458 COCC1CCN1CCCCO 34a_100015195929_100011216708 [0,0,0,1,0,0|2,0,1]=4 8424 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,0,0,1,0,0|2,0,0]=3 8425 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,0,0,1,0,0|2,0,0]=3 8426 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,0,0,1,0,0|2,0,0]=3 8427 B12R1.1414 C=CCCCN1CCCOCC1 2230a_100000685342_100011713584 [0,0,0,1,0,0|3,0,0]=4 8428 B12R1.1414 C=CCCCN1CCCOCC1 269982a_100000685342_100000757094 [0,0,0,1,0,0|3,0,0]=4 8429 B12R1.1414 C=CCCCN1CCCOCC1 34a_100000685342_100000757094 [0,0,0,1,0,0|3,0,0]=4 8430 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,0,0,1,0,0|2,0,0]=3 8431 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,0,0,1,0,0|2,0,0]=3 8432 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,0,0,1,0,0|2,0,0]=3 8433 B12R1.1414 C=CCCNC1CCCNCC1 270004a_100015191253_100015187895 [0,0,0,1,0,0|3,0,0]=4 8434 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,0,0,1,0,0|2,0,0]=3 8435 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,0,0,1,0,0|2,0,0]=3 8436 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,0,0,1,0,0|2,0,0]=3 8437 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,0,0,1,0,0|2,0,0]=3 8438 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,0,0,1,0,0|2,0,0]=3 8439 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,0,0,1,0,0|2,0,0]=3 8440 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,0,0,1,0,0|2,0,0]=3 8441 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,0,0,1,0,0|2,0,0]=3 8442 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,0,0,1,0,0|2,0,0]=3 8443 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,0,0,1,0,0|2,0,0]=3 8444 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,0,0,1,0,0|2,0,0]=3 8445 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,0,0,1,0,0|2,0,0]=3 8446 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,0,0,1,0,0|2,0,0]=3 8447 B12R1.1414 C=COCCN1CCCCCC1 2230a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 8448 B12R1.1414 C=COCCN1CCCCCC1 269982a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 8449 B12R1.1414 C=COCCN1CCCCCC1 34a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 8450 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,0,0,1,0,0|3,0,0]=4 8451 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,0,0,1,0,0|3,0,0]=4 8452 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,0,0,1,0,0|3,0,0]=4 8453 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,0,0,1,0,0|3,0,0]=4 8454 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,0,0,1,0,0|3,0,0]=4 8455 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,0,0,1,0,0|3,0,0]=4 8456 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,0,0,1,0,0|3,0,0]=4 8457 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,0,0,1,0,0|3,0,0]=4 8458 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 8459 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 8460 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,0,0,1,0,0|1,0,2]=4 8461 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 8462 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,0,0,1,0,0|1,0,2]=4 8463 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 8464 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,0,0,1,0,0|1,0,2]=4 8465 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,0,0,1,0,0|1,0,2]=4 8466 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,0,0,1,0,0|1,0,2]=4 8467 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,0,0,1,0,0|1,0,2]=4 8468 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,0,0,1,0,0|1,0,2]=4 8469 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,0,0,1,0,0|1,0,2]=4 8470 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,0,0,1,0,0|1,0,2]=4 8471 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,0,0,1,0,0|1,0,2]=4 8472 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,0,0,1,0,0|1,0,2]=4 8473 B12R1.1414 OCCNN=C1C=CCCCC1 4a_100000210001_100000742933 [0,0,0,1,0,0|2,0,1]=4 8474 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,0,0,1,0,0|1,0,2]=4 8475 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,0,0,1,0,0|1,0,2]=4 8476 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,0,0,1,0,0|1,0,2]=4 8477 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,0,0,1,0,0|1,0,2]=4 8478 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 8479 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,0]=3 8480 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 8481 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,0]=3 8482 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 8483 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 8484 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 8485 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 8486 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,0]=3 8487 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,0]=3 8488 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,0]=3 8489 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,0]=3 8490 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,0]=3 8491 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 8492 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,0]=3 8493 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 8494 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 8495 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 8496 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,0]=3 8497 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,0]=3 8498 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [2,0,0,0,0,0|2,0,0]=4 8499 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [2,0,0,0,0,0|2,0,0]=4 8500 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 8501 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 8502 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 8503 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 8504 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [2,0,0,0,0,0|2,0,0]=4 8505 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [2,0,0,0,0,0|1,0,0]=3 8506 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [2,0,0,0,0,0|1,0,0]=3 8507 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [2,0,0,0,0,0|1,0,0]=3 8508 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [2,0,0,0,0,0|1,0,0]=3 8509 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [2,0,0,0,0,0|2,0,0]=4 8510 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 8511 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 8512 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [2,0,0,0,0,0|2,0,0]=4 8513 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,0]=3 8514 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 8515 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 8516 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 8517 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 8518 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [2,0,0,0,0,0|2,0,0]=4 8519 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [2,0,0,0,0,0|1,0,0]=3 8520 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [2,0,0,0,0,0|1,0,0]=3 8521 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [2,0,0,0,0,0|2,0,0]=4 8522 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,0]=3 8523 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,0]=3 8524 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [2,0,0,0,0,0|2,0,0]=4 8525 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [2,0,0,0,0,0|2,0,0]=4 8526 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [2,0,0,0,0,0|1,0,0]=3 8527 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [2,0,0,0,0,0|1,0,0]=3 8528 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [2,0,0,0,0,0|2,0,0]=4 8529 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [2,0,0,0,0,0|2,0,0]=4 8530 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [2,0,0,0,0,0|2,0,0]=4 8531 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [2,0,0,0,0,0|2,0,0]=4 8532 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,0]=3 8533 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,0]=3 8534 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,0]=3 8535 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,0]=3 8536 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 8537 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [2,0,0,0,0,0|2,0,0]=4 8538 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 8539 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [2,0,0,0,0,0|2,0,0]=4 8540 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [2,0,0,0,0,0|1,0,0]=3 8541 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [2,0,0,0,0,0|1,0,0]=3 8542 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [2,0,0,0,0,0|2,0,0]=4 8543 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 8544 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 8545 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [2,0,0,0,0,0|2,0,0]=4 8546 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [2,0,0,0,0,0|2,0,0]=4 8547 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [2,0,0,0,0,0|2,0,0]=4 8548 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [2,0,0,0,0,0|2,0,0]=4 8549 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 8550 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,0]=3 8551 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 8552 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,0]=3 8553 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [2,0,0,0,0,0|2,0,0]=4 8554 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 8555 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [2,0,0,0,0,0|2,0,0]=4 8556 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 8557 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [2,0,0,0,0,0|2,0,0]=4 8558 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [2,0,0,0,0,0|1,0,0]=3 8559 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [2,0,0,0,0,0|1,0,0]=3 8560 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [2,0,0,0,0,0|2,0,0]=4 8561 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [2,0,0,0,0,0|2,0,0]=4 8562 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [2,0,0,0,0,0|2,0,0]=4 8563 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 8564 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 8565 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 8566 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 8567 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,0]=3 8568 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,0]=3 8569 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [2,0,0,0,0,0|2,0,0]=4 8570 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [2,0,0,0,0,0|2,0,0]=4 8571 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [2,0,0,0,0,0|1,0,0]=3 8572 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [2,0,0,0,0,0|1,0,0]=3 8573 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [2,0,0,0,0,0|2,0,0]=4 8574 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [2,0,0,0,0,0|2,0,0]=4 8575 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [2,0,0,0,0,0|2,0,0]=4 8576 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [2,0,0,0,0,0|2,0,0]=4 8577 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [2,0,0,0,0,0|2,0,0]=4 8578 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [2,0,0,0,0,0|2,0,0]=4 8579 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,0]=3 8580 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,0]=3 8581 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [2,0,0,0,0,0|2,0,0]=4 8582 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [2,0,0,0,0,0|1,0,0]=3 8583 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [2,0,0,0,0,0|1,0,0]=3 8584 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [2,0,0,0,0,0|1,0,0]=3 8585 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [2,0,0,0,0,0|2,0,0]=4 8586 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [2,0,0,0,0,0|2,0,0]=4 8587 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [2,0,0,0,0,0|2,0,0]=4 8588 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [2,0,0,0,0,0|2,0,0]=4 8589 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 8590 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 8591 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [2,0,0,0,0,0|2,0,0]=4 8592 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [2,0,0,0,0,0|2,0,0]=4 8593 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [2,0,0,0,0,0|2,0,0]=4 8594 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 8595 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,0]=3 8596 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 8597 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 8598 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 8599 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [2,0,0,0,0,0|2,0,0]=4 8600 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 8601 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 8602 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [2,0,0,0,0,0|2,0,0]=4 8603 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 8604 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [2,0,0,0,0,0|1,0,0]=3 8605 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [2,0,0,0,0,0|2,0,0]=4 8606 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [2,0,0,0,0,0|2,0,0]=4 8607 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [2,0,0,0,0,0|2,0,0]=4 8608 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 8609 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 8610 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 8611 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [2,0,0,0,0,0|2,0,0]=4 8612 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 8613 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 8614 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [2,0,0,0,0,0|2,0,0]=4 8615 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 8616 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,0]=3 8617 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,0]=3 8618 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [2,0,0,0,0,0|2,0,0]=4 8619 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [2,0,0,0,0,0|2,0,0]=4 8620 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [2,0,0,0,0,0|1,0,0]=3 8621 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [2,0,0,0,0,0|1,0,0]=3 8622 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [2,0,0,0,0,0|2,0,0]=4 8623 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [2,0,0,0,0,0|2,0,0]=4 8624 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [2,0,0,0,0,0|2,0,0]=4 8625 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [2,0,0,0,0,0|2,0,0]=4 8626 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [2,0,0,0,0,0|2,0,0]=4 8627 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [2,0,0,0,0,0|2,0,0]=4 8628 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,0]=3 8629 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,0]=3 8630 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [2,0,0,0,0,0|2,0,0]=4 8631 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [2,0,0,0,0,0|1,0,0]=3 8632 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [2,0,0,0,0,0|1,0,0]=3 8633 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [2,0,0,0,0,0|1,0,0]=3 8634 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [2,0,0,0,0,0|2,0,0]=4 8635 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [2,0,0,0,0,0|2,0,0]=4 8636 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [2,0,0,0,0,0|2,0,0]=4 8637 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [2,0,0,0,0,0|2,0,0]=4 8638 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [2,0,0,0,0,0|2,0,0]=4 8639 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [2,0,0,0,0,0|2,0,0]=4 8640 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [2,0,0,0,0,0|2,0,0]=4 8641 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [2,0,0,0,0,0|2,0,0]=4 8642 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [2,0,0,0,0,0|2,0,0]=4 8643 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [2,0,0,0,0,0|2,0,0]=4 8644 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [2,0,0,0,0,0|2,0,0]=4 8645 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [2,0,0,0,0,0|2,0,0]=4 8646 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [2,0,0,0,0,0|2,0,0]=4 8647 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 8648 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 8649 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 8650 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,0]=3 8651 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 8652 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 8653 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 8654 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [2,0,0,0,0,0|2,0,0]=4 8655 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 8656 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 8657 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 8658 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [2,0,0,0,0,0|1,0,0]=3 8659 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [2,0,0,0,0,0|2,0,0]=4 8660 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [2,0,0,0,0,0|2,0,0]=4 8661 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 8662 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 8663 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 8664 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [2,0,0,0,0,0|2,0,0]=4 8665 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 8666 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 8667 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 8668 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 8669 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 8670 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [2,0,0,0,0,0|2,0,0]=4 8671 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 8672 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 8673 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 8674 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [2,0,0,0,0,0|2,0,0]=4 8675 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 8676 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 8677 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 8678 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [2,0,0,0,0,0|2,0,0]=4 8679 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,0]=3 8680 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,0]=3 8681 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [2,0,0,0,0,0|2,0,0]=4 8682 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [2,0,0,0,0,0|2,0,0]=4 8683 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [2,0,0,0,0,0|1,0,0]=3 8684 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [2,0,0,0,0,0|1,0,0]=3 8685 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [2,0,0,0,0,0|2,0,0]=4 8686 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [2,0,0,0,0,0|2,0,0]=4 8687 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [2,0,0,0,0,0|2,0,0]=4 8688 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [2,0,0,0,0,0|2,0,0]=4 8689 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [2,0,0,0,0,0|2,0,0]=4 8690 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [2,0,0,0,0,0|2,0,0]=4 8691 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [2,0,0,0,0,0|2,0,0]=4 8692 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [2,0,0,0,0,0|2,0,0]=4 8693 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [2,0,0,0,0,0|2,0,0]=4 8694 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [2,0,0,0,0,0|2,0,0]=4 8695 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 8696 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 8697 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 8698 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 8699 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [2,0,0,0,0,0|2,0,0]=4 8700 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [2,0,0,0,0,0|2,0,0]=4 8701 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|2,0,0]=4 8702 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|2,0,0]=4 8703 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|2,0,0]=4 8704 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 8705 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 8706 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [2,0,0,0,0,0|2,0,0]=4 8707 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|2,0,0]=4 8708 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|2,0,0]=4 8709 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [2,0,0,0,0,0|2,0,0]=4 8710 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [2,0,0,0,0,0|2,0,0]=4 8711 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 8712 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 8713 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 8714 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,1]=4 8715 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 8716 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 8717 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 8718 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 8719 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,1]=4 8720 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 8721 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 8722 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 8723 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,1]=4 8724 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,1]=4 8725 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,1]=4 8726 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,1]=4 8727 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 8728 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 8729 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 8730 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,1]=4 8731 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 8732 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 8733 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 8734 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,1]=4 8735 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,1]=4 8736 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 8737 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 8738 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|2,0,0]=4 8739 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 8740 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 8741 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 8742 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,0]=3 8743 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,0]=3 8744 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,0]=3 8745 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|2,0,0]=4 8746 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|2,0,0]=4 8747 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 8748 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 8749 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8750 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8751 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 8752 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 8753 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 8754 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 8755 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 8756 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|2,0,0]=4 8757 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|2,0,0]=4 8758 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 8759 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 8760 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 8761 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 8762 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,0]=3 8763 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,0]=3 8764 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 8765 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 8766 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 8767 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 8768 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 8769 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 8770 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,0]=3 8771 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 8772 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 8773 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 8774 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 8775 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 8776 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 8777 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 8778 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 8779 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 8780 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 8781 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,0]=3 8782 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,0]=3 8783 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 8784 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 8785 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 8786 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 8787 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,0]=3 8788 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,0]=3 8789 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|2,0,0]=4 8790 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|2,0,0]=4 8791 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 8792 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 8793 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,0]=3 8794 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,0]=3 8795 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,0]=3 8796 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,0]=3 8797 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|2,0,0]=4 8798 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 8799 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 8800 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 8801 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 8802 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 8803 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 8804 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 8805 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 8806 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 8807 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 8808 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 8809 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 8810 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 8811 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 8812 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|2,0,0]=4 8813 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|2,0,0]=4 8814 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|2,0,0]=4 8815 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 8816 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 8817 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,0]=3 8818 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,0]=3 8819 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 8820 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 8821 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 8822 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 8823 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [2,0,0,0,0,0|2,0,0]=4 8824 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 8825 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 8826 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 8827 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 8828 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 8829 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 8830 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 8831 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 8832 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,0]=3 8833 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [2,0,0,0,0,0|2,0,0]=4 8834 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 8835 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [2,0,0,0,0,0|2,0,0]=4 8836 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 8837 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [2,0,0,0,0,0|2,0,0]=4 8838 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 8839 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 8840 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [2,0,0,0,0,0|2,0,0]=4 8841 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [2,0,0,0,0,0|2,0,0]=4 8842 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|2,0,0]=4 8843 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|2,0,0]=4 8844 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 8845 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 8846 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,0]=3 8847 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,0]=3 8848 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [2,0,0,0,0,0|2,0,0]=4 8849 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 8850 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [2,0,0,0,0,0|2,0,0]=4 8851 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [2,0,0,0,0,0|2,0,0]=4 8852 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 8853 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|2,0,0]=4 8854 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 8855 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 8856 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,0]=3 8857 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 8858 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 8859 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 8860 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 8861 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 8862 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 8863 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 8864 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 8865 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 8866 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,0]=3 8867 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 8868 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [2,0,0,0,0,0|2,0,0]=4 8869 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 8870 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [2,0,0,0,0,0|2,0,0]=4 8871 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 8872 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 8873 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 8874 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [2,0,0,0,0,0|2,0,0]=4 8875 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 8876 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 8877 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 8878 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 8879 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [2,0,0,0,0,0|2,0,0]=4 8880 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [2,0,0,0,0,0|2,0,0]=4 8881 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [2,0,0,0,0,0|2,0,0]=4 8882 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [2,0,0,0,0,0|2,0,0]=4 8883 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|2,0,0]=4 8884 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|2,0,0]=4 8885 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 8886 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 8887 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,0]=3 8888 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 8889 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 8890 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 8891 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [2,0,0,0,0,0|2,0,0]=4 8892 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [2,0,0,0,0,0|2,0,0]=4 8893 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [2,0,0,0,0,0|2,0,0]=4 8894 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [2,0,0,0,0,0|2,0,0]=4 8895 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [2,0,0,0,0,0|2,0,0]=4 8896 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 8897 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 8898 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 8899 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,0]=3 8900 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 8901 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 8902 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [2,0,0,0,0,0|2,0,0]=4 8903 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 8904 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 8905 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 8906 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 8907 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 8908 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 8909 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 8910 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 8911 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 8912 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 8913 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 8914 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 8915 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 8916 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 8917 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 8918 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 8919 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 8920 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 8921 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 8922 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 8923 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 8924 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 8925 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 8926 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 8927 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,0]=3 8928 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 8929 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 8930 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [2,0,0,0,0,0|2,0,0]=4 8931 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [2,0,0,0,0,0|2,0,0]=4 8932 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [2,0,0,0,0,0|2,0,0]=4 8933 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [2,0,0,0,0,0|2,0,0]=4 8934 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [2,0,0,0,0,0|2,0,0]=4 8935 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [2,0,0,0,0,0|2,0,0]=4 8936 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|2,0,0]=4 8937 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|2,0,0]=4 8938 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [2,0,0,0,0,0|2,0,0]=4 8939 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [2,0,0,0,0,0|2,0,0]=4 8940 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 8941 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 8942 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [2,0,0,0,0,0|2,0,0]=4 8943 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [2,0,0,0,0,0|2,0,0]=4 8944 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8945 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8946 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 8947 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [2,0,0,0,0,0|2,0,0]=4 8948 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 8949 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 8950 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 8951 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 8952 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 8953 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 8954 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 8955 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 8956 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 8957 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [2,0,0,0,0,0|2,0,0]=4 8958 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 8959 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [2,0,0,0,0,0|2,0,0]=4 8960 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 8961 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [2,0,0,0,0,0|2,0,0]=4 8962 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 8963 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8964 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [2,0,0,0,0,0|2,0,0]=4 8965 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 8966 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [2,0,0,0,0,0|2,0,0]=4 8967 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8968 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [2,0,0,0,0,0|2,0,0]=4 8969 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [2,0,0,0,0,0|2,0,0]=4 8970 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8971 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8972 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 8973 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [2,0,0,0,0,0|2,0,0]=4 8974 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 8975 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [2,0,0,0,0,0|2,0,0]=4 8976 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8977 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 8978 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 8979 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 8980 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 8981 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 8982 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [2,0,0,0,0,0|2,0,0]=4 8983 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 8984 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [2,0,0,0,0,0|2,0,0]=4 8985 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [2,0,0,0,0,0|2,0,0]=4 8986 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [2,0,0,0,0,0|2,0,0]=4 8987 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 8988 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [2,0,0,0,0,0|2,0,0]=4 8989 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [2,0,0,0,0,0|2,0,0]=4 8990 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [2,0,0,0,0,0|2,0,0]=4 8991 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [2,0,0,0,0,0|2,0,0]=4 8992 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [2,0,0,0,0,0|2,0,0]=4 8993 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [2,0,0,0,0,0|2,0,0]=4 8994 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [2,0,0,0,0,0|2,0,0]=4 8995 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 8996 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 8997 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8998 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 8999 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 9000 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 9001 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [2,0,0,0,0,0|2,0,0]=4 9002 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [2,0,0,0,0,0|2,0,0]=4 9003 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 9004 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 9005 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 9006 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 9007 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 9008 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 9009 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 9010 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 9011 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,0]=3 9012 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,1]=3 9013 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,1]=3 9014 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [1,1,0,0,0,0|1,0,1]=4 9015 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [1,1,0,0,0,0|0,0,1]=3 9016 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [1,1,0,0,0,0|0,0,1]=3 9017 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [1,1,0,0,0,0|1,0,1]=4 9018 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [1,1,0,0,0,0|1,0,1]=4 9019 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 9020 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 9021 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 9022 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 9023 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [1,1,0,0,0,0|1,0,1]=4 9024 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|1,0,0]=3 9025 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|1,0,0]=3 9026 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [1,1,0,0,0,0|2,0,0]=4 9027 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [1,1,0,0,0,0|2,0,0]=4 9028 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [1,1,0,0,0,0|1,0,0]=3 9029 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [1,1,0,0,0,0|1,0,0]=3 9030 B11R0.4 C=CCC(C)COCCCOC 34a_100009832082_100000740836 [1,1,0,0,0,0|2,0,0]=4 9031 B11R0.4 C=CCC(C)COCCCOC 7a_100009832082_100000740836 [1,1,0,0,0,0|2,0,0]=4 9032 B11R0.4 C=CCC(C)COCCOCC 34a_100009832082_100000210147 [1,1,0,0,0,0|2,0,0]=4 9033 B11R0.4 C=CCC(C)COCCOCC 7a_100009832082_100011215890 [1,1,0,0,0,0|2,0,0]=4 9034 B11R0.4 C=CCC(C)COCCSCC 34a_100009832082_100000757381 [1,1,0,0,0,0|2,0,0]=4 9035 B11R0.4 C=CCC(C)COCCSCC 7a_100009832082_100000757381 [1,1,0,0,0,0|2,0,0]=4 9036 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,1,0,0,0,0|0,0,1]=3 9037 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,1,0,0,0,0|0,0,1]=3 9038 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [1,1,0,0,0,0|1,0,1]=4 9039 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [1,1,0,0,0,0|0,0,1]=3 9040 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [1,1,0,0,0,0|0,0,1]=3 9041 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [1,1,0,0,0,0|1,0,1]=4 9042 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [1,1,0,0,0,0|1,0,1]=4 9043 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [1,1,0,0,0,0|1,0,1]=4 9044 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [1,1,0,0,0,0|1,0,1]=4 9045 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [1,1,0,0,0,0|1,0,1]=4 9046 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [1,1,0,0,0,0|1,0,0]=3 9047 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [1,1,0,0,0,0|1,0,0]=3 9048 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [1,1,0,0,0,0|1,0,0]=3 9049 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [1,1,0,0,0,0|1,0,0]=3 9050 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [1,1,0,0,0,0|1,0,1]=4 9051 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [1,1,0,0,0,0|1,0,1]=4 9052 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [1,1,0,0,0,0|1,0,1]=4 9053 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [1,1,0,0,0,0|1,0,1]=4 9054 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [1,1,0,0,0,0|1,0,1]=4 9055 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [1,1,0,0,0,0|1,0,0]=3 9056 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [1,1,0,0,0,0|1,0,0]=3 9057 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [1,1,0,0,0,0|1,0,0]=3 9058 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [1,1,0,0,0,0|1,0,0]=3 9059 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [1,1,0,0,0,0|1,0,0]=3 9060 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [1,1,0,0,0,0|1,0,0]=3 9061 B11R0.4 C=CCCCCNC(C)COC 2230a_100000703577_100000765312 [1,1,0,0,0,0|2,0,0]=4 9062 B11R0.4 C=CCCCCNC(C)COC 270004a_100000703577_100000749346 [1,1,0,0,0,0|2,0,0]=4 9063 B11R0.4 C=CCCCCNC(C)COC 34a_100000703577_100000765312 [1,1,0,0,0,0|2,0,0]=4 9064 B11R0.4 C=CCCCCNC(C)CSC 270004a_100000703577_100011216314 [1,1,0,0,0,0|2,0,0]=4 9065 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [1,1,0,0,0,0|1,0,0]=3 9066 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,0]=3 9067 B11R0.4 C=CCCCCN[C@H](C)COC 2230a_100000764878_100011215482 [1,1,0,0,0,0|2,0,0]=4 9068 B11R0.4 C=CCCCCOC(C)CCBr 34a_100012276601_100011215482 [1,1,0,0,0,0|2,0,0]=4 9069 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [1,1,0,0,0,0|1,0,0]=3 9070 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [1,1,0,0,0,0|1,0,0]=3 9071 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [1,1,0,0,0,0|1,0,0]=3 9072 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [1,1,0,0,0,0|1,0,0]=3 9073 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [1,1,0,0,0,0|1,0,0]=3 9074 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [1,1,0,0,0,0|1,0,0]=3 9075 B11R0.4 C=CCCCCOC(C)COC 34a_100000766645_100000765312 [1,1,0,0,0,0|2,0,0]=4 9076 B11R0.4 C=CCCCCOC(C)COC 7a_100000766645_100000765312 [1,1,0,0,0,0|2,0,0]=4 9077 B11R0.4 C=CCCCCO[C@H](C)COC 34a_100011934205_100011215482 [1,1,0,0,0,0|2,0,0]=4 9078 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [1,1,0,0,0,0|1,0,0]=3 9079 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [1,1,0,0,0,0|1,0,0]=3 9080 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [1,1,0,0,0,0|1,0,0]=3 9081 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [1,1,0,0,0,0|1,0,0]=3 9082 B11R0.4 C=CCCCCSC(C)COC 62a_100000765312_100011215482 [1,1,0,0,0,0|2,0,0]=4 9083 B11R0.4 C=CCCCCSC(C)COC 62a_100011215482_100000765312 [1,1,0,0,0,0|2,0,0]=4 9084 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [1,1,0,0,0,0|1,0,1]=4 9085 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [1,1,0,0,0,0|1,0,0]=3 9086 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [1,1,0,0,0,0|1,0,0]=3 9087 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [1,1,0,0,0,0|1,0,0]=3 9088 B11R0.4 C=CCCCNCC(O)COC 2230a_100000756049_100011713584 [1,1,0,0,0,0|2,0,0]=4 9089 B11R0.4 C=CCCCNCC(O)COC 34a_100000700776_100011215053 [1,1,0,0,0,0|2,0,0]=4 9090 B11R0.4 C=CCCCNCC(O)COC 34a_100000756049_100000757094 [1,1,0,0,0,0|2,0,0]=4 9091 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [1,1,0,0,0,0|1,0,1]=4 9092 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [1,1,0,0,0,0|1,0,0]=3 9093 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [1,1,0,0,0,0|1,0,0]=3 9094 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [1,1,0,0,0,0|1,0,0]=3 9095 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [1,1,0,0,0,0|1,0,0]=3 9096 B11R0.4 C=CCCCOCC(C)CCN 34a_106354213184_100000757094 [1,1,0,0,0,0|2,0,0]=4 9097 B11R0.4 C=CCCCOCC(N)COC 34a_100000724102_100000757094 [1,1,0,0,0,0|2,0,0]=4 9098 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [1,1,0,0,0,0|2,0,0]=4 9099 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [1,1,0,0,0,0|2,0,0]=4 9100 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [1,1,0,0,0,0|1,0,0]=3 9101 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [1,1,0,0,0,0|1,0,1]=4 9102 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [1,1,0,0,0,0|1,0,1]=4 9103 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [1,1,0,0,0,0|1,0,0]=3 9104 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [1,1,0,0,0,0|1,0,0]=3 9105 B11R0.4 C=CCCCSCC(O)COC 62a_100011215053_100000757094 [1,1,0,0,0,0|2,0,0]=4 9106 B11R0.4 C=CCCCSCC(O)COC 62a_100011713584_100011215053 [1,1,0,0,0,0|2,0,0]=4 9107 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [1,1,0,0,0,0|1,0,0]=3 9108 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [1,1,0,0,0,0|1,0,0]=3 9109 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [1,1,0,0,0,0|1,0,0]=3 9110 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|1,0,0]=3 9111 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|1,0,0]=3 9112 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|1,0,0]=3 9113 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|1,0,0]=3 9114 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 9115 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 9116 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [1,1,0,0,0,0|1,0,0]=3 9117 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [1,1,0,0,0,0|1,0,0]=3 9118 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [1,1,0,0,0,0|2,0,0]=4 9119 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [1,1,0,0,0,0|2,0,0]=4 9120 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [1,1,0,0,0,0|1,0,0]=3 9121 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [1,1,0,0,0,0|1,0,0]=3 9122 B11R0.4 C=CCOCCOC(C)CCC 34a_100000037705_100000766640 [1,1,0,0,0,0|2,0,0]=4 9123 B11R0.4 C=CCOCCOC(C)CCC 7a_100000037705_100000766640 [1,1,0,0,0,0|2,0,0]=4 9124 B11R0.4 C=CCOCCOC(C)CCO 34a_100000037705_100009893172 [1,1,0,0,0,0|2,0,0]=4 9125 B11R0.4 C=CCOCCOC(C)CCO 7a_100000037705_100009893172 [1,1,0,0,0,0|2,0,0]=4 9126 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|1,0,0]=3 9127 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|1,0,0]=3 9128 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [1,1,0,0,0,0|2,0,0]=4 9129 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [1,1,0,0,0,0|2,0,0]=4 9130 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [1,1,0,0,0,0|1,0,0]=3 9131 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [1,1,0,0,0,0|1,0,0]=3 9132 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [1,1,0,0,0,0|2,0,0]=4 9133 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [1,1,0,0,0,0|2,0,0]=4 9134 B11R0.4 C=CC[C@@H](C)OCCCOCC 34a_100000731007_100012232248 [1,1,0,0,0,0|2,0,0]=4 9135 B11R0.4 C=CC[C@@H](C)OCCCOCC 7a_100000731007_100012232248 [1,1,0,0,0,0|2,0,0]=4 9136 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [1,1,0,0,0,0|2,0,0]=4 9137 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [1,1,0,0,0,0|2,0,0]=4 9138 B11R0.4 C=CC[C@@H](C)OCCOCCO 34a_100000731007_100000692535 [1,1,0,0,0,0|2,0,0]=4 9139 B11R0.4 C=CC[C@@H](C)OCCOCCO 7a_100000731007_100011215305 [1,1,0,0,0,0|2,0,0]=4 9140 B11R0.4 C=CC[C@@H](C)OCOCCCC 34a_100000731007_100011995733 [1,1,0,0,0,0|2,0,0]=4 9141 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|1,0,0]=3 9142 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [1,1,0,0,0,0|2,0,0]=4 9143 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [1,1,0,0,0,0|1,0,0]=3 9144 B11R0.4 C=CC[C@@H](N)COCCCOC 34a_100020615467_100000740836 [1,1,0,0,0,0|2,0,0]=4 9145 B11R0.4 C=CC[C@@H](N)COCCOCC 34a_100020615467_100000210147 [1,1,0,0,0,0|2,0,0]=4 9146 B11R0.4 C=CC[C@@H](N)COCCSCC 34a_100020615467_100000757381 [1,1,0,0,0,0|2,0,0]=4 9147 B11R0.4 C=COCCCNC(C)CCC 2230a_100000210767_100000766640 [1,1,0,0,0,0|2,0,0]=4 9148 B11R0.4 C=COCCCNC(C)CCC 270004a_100000210767_100000211909 [1,1,0,0,0,0|2,0,0]=4 9149 B11R0.4 C=COCCCNC(C)CCC 34a_100000210767_100000766640 [1,1,0,0,0,0|2,0,0]=4 9150 B11R0.4 C=COCCCNC(C)CCO 2230a_100000210767_100009893172 [1,1,0,0,0,0|2,0,0]=4 9151 B11R0.4 C=COCCCNC(C)CCO 34a_100000210767_100009893172 [1,1,0,0,0,0|2,0,0]=4 9152 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [1,1,0,0,0,0|2,0,0]=4 9153 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [1,1,0,0,0,0|2,0,0]=4 9154 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [1,1,0,0,0,0|2,0,0]=4 9155 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [1,1,0,0,0,0|2,0,0]=4 9156 B11R0.4 C=COCCSCC(C)CCC 62a_100000039644_100011216630 [1,1,0,0,0,0|2,0,0]=4 9157 B11R0.4 C=COCCSCC(C)CCC 62a_100011216630_100000039644 [1,1,0,0,0,0|2,0,0]=4 9158 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [1,1,0,0,0,0|2,0,0]=4 9159 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [1,1,0,0,0,0|2,0,0]=4 9160 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 9161 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 9162 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [1,1,0,0,0,0|2,0,0]=4 9163 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [1,1,0,0,0,0|2,0,0]=4 9164 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 9165 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 9166 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [1,1,0,0,0,0|2,0,0]=4 9167 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [1,1,0,0,0,0|2,0,0]=4 9168 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 9169 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|2,0,0]=4 9170 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|2,0,0]=4 9171 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [1,1,0,0,0,0|2,0,0]=4 9172 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [1,1,0,0,0,0|2,0,0]=4 9173 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 9174 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [1,1,0,0,0,0|2,0,0]=4 9175 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,2]=4 9176 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,2]=4 9177 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|2,0,0]=4 9178 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|2,0,0]=4 9179 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 9180 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 9181 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,1]=4 9182 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,1]=4 9183 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 9184 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [1,1,0,0,0,0|1,0,1]=4 9185 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 9186 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|2,0,0]=4 9187 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [1,1,0,0,0,0|1,0,1]=4 9188 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [1,1,0,0,0,0|1,0,1]=4 9189 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|2,0,0]=4 9190 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|2,0,0]=4 9191 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [1,1,0,0,0,0|1,0,1]=4 9192 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [1,1,0,0,0,0|1,0,1]=4 9193 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|2,0,0]=4 9194 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [1,1,0,0,0,0|1,0,1]=4 9195 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 9196 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [1,1,0,0,0,0|1,0,1]=4 9197 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 9198 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|2,0,0]=4 9199 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 9200 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 9201 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|2,0,0]=4 9202 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|2,0,0]=4 9203 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 9204 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [1,1,0,0,0,0|1,0,1]=4 9205 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,2]=4 9206 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,2]=4 9207 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|2,0,0]=4 9208 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|2,0,0]=4 9209 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 9210 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 9211 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 9212 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 9213 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,1,0,0,0,0|1,0,1]=4 9214 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 9215 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 9216 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 9217 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 9218 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,1,0,0,0,0|1,0,1]=4 9219 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,1,0,0,0,0|1,0,1]=4 9220 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|2,0,0]=4 9221 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|2,0,0]=4 9222 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 9223 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 9224 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,1]=4 9225 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [1,1,0,0,0,0|1,0,1]=4 9226 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 9227 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 9228 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [1,1,0,0,0,0|2,0,0]=4 9229 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [1,1,0,0,0,0|2,0,0]=4 9230 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [1,1,0,0,0,0|2,0,0]=4 9231 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [1,1,0,0,0,0|2,0,0]=4 9232 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|2,0,0]=4 9233 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 9234 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 9235 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [1,1,0,0,0,0|2,0,0]=4 9236 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|2,0,0]=4 9237 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,1,0,0,0,0|1,0,1]=4 9238 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,1,0,0,0,0|1,0,1]=4 9239 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,1,0,0,0,0|1,0,1]=4 9240 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,1,0,0,0,0|1,0,1]=4 9241 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,1]=3 9242 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|0,0,1]=3 9243 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,1,0,0,0,0|1,0,1]=4 9244 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|1,0,1]=4 9245 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|1,0,1]=4 9246 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [1,1,0,0,0,0|1,0,1]=4 9247 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [1,1,0,0,0,0|1,0,0]=3 9248 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [1,1,0,0,0,0|1,0,0]=3 9249 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [1,1,0,0,0,0|2,0,0]=4 9250 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [1,1,0,0,0,0|2,0,0]=4 9251 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [1,1,0,0,0,0|1,0,0]=3 9252 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [1,1,0,0,0,0|1,0,0]=3 9253 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [1,1,0,0,0,0|2,0,0]=4 9254 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [1,1,0,0,0,0|2,0,0]=4 9255 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [1,1,0,0,0,0|2,0,0]=4 9256 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [1,1,0,0,0,0|2,0,0]=4 9257 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [1,1,0,0,0,0|2,0,0]=4 9258 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [1,1,0,0,0,0|2,0,0]=4 9259 B11R0.40 C=CC(C)COCCOCCO 34a_100011215527_100000692535 [1,1,0,0,0,0|2,0,0]=4 9260 B11R0.40 C=CC(C)COCCOCCO 7a_100011215527_100011215305 [1,1,0,0,0,0|2,0,0]=4 9261 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [1,1,0,0,0,0|2,0,0]=4 9262 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,1,0,0,0,0|1,0,0]=3 9263 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [1,1,0,0,0,0|2,0,0]=4 9264 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [1,1,0,0,0,0|1,0,0]=3 9265 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [1,1,0,0,0,0|2,0,0]=4 9266 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [1,1,0,0,0,0|1,0,0]=3 9267 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [1,1,0,0,0,0|2,0,0]=4 9268 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [1,1,0,0,0,0|1,0,0]=3 9269 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [1,1,0,0,0,0|2,0,0]=4 9270 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [1,1,0,0,0,0|1,0,0]=3 9271 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [1,1,0,0,0,0|1,0,0]=3 9272 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [1,1,0,0,0,0|1,0,0]=3 9273 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [1,1,0,0,0,0|2,0,0]=4 9274 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [1,1,0,0,0,0|2,0,0]=4 9275 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [1,1,0,0,0,0|2,0,0]=4 9276 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [1,1,0,0,0,0|2,0,0]=4 9277 B11R0.40 C=CC(O)CNCCOCCO 2230a_100000211614_100000730141 [1,1,0,0,0,0|2,0,0]=4 9278 B11R0.40 C=CC(O)CNCCOCCO 34a_100000211614_100000730141 [1,1,0,0,0,0|2,0,0]=4 9279 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [1,1,0,0,0,0|2,0,0]=4 9280 B11R0.40 C=CC(O)CNCCSCCO 2230a_100011219999_100000730141 [1,1,0,0,0,0|2,0,0]=4 9281 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [1,1,0,0,0,0|2,0,0]=4 9282 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [1,1,0,0,0,0|2,0,0]=4 9283 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [1,1,0,0,0,0|1,0,0]=3 9284 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [1,1,0,0,0,0|1,0,0]=3 9285 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [1,1,0,0,0,0|2,0,0]=4 9286 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [1,1,0,0,0,0|2,0,0]=4 9287 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [1,1,0,0,0,0|2,0,0]=4 9288 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [1,1,0,0,0,0|2,0,0]=4 9289 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [1,1,0,0,0,0|2,0,0]=4 9290 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [1,1,0,0,0,0|2,0,0]=4 9291 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [1,1,0,0,0,0|2,0,0]=4 9292 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [1,1,0,0,0,0|2,0,0]=4 9293 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [1,1,0,0,0,0|2,0,0]=4 9294 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [1,1,0,0,0,0|2,0,0]=4 9295 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [1,1,0,0,0,0|2,0,0]=4 9296 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [1,1,0,0,0,0|2,0,0]=4 9297 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [1,1,0,0,0,0|2,0,0]=4 9298 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [1,1,0,0,0,0|2,0,0]=4 9299 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [1,1,0,0,0,0|2,0,0]=4 9300 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [1,1,0,0,0,0|2,0,0]=4 9301 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [1,1,0,0,0,0|1,0,0]=3 9302 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [1,1,0,0,0,0|1,0,0]=3 9303 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [1,1,0,0,0,0|2,0,0]=4 9304 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [1,1,0,0,0,0|2,0,0]=4 9305 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [1,1,0,0,0,0|1,0,0]=3 9306 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [1,1,0,0,0,0|1,0,0]=3 9307 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [1,1,0,0,0,0|2,0,0]=4 9308 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [1,1,0,0,0,0|2,0,0]=4 9309 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [1,1,0,0,0,0|2,0,0]=4 9310 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [1,1,0,0,0,0|2,0,0]=4 9311 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [1,1,0,0,0,0|2,0,0]=4 9312 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [1,1,0,0,0,0|2,0,0]=4 9313 B11R0.40 C=CC(O)CSCCOCCO 62a_100000730141_100011215305 [1,1,0,0,0,0|2,0,0]=4 9314 B11R0.40 C=CC(O)CSCCOCCO 62a_100011215305_100000730141 [1,1,0,0,0,0|2,0,0]=4 9315 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [1,1,0,0,0,0|2,0,0]=4 9316 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [1,1,0,0,0,0|2,0,0]=4 9317 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|0,0,1]=3 9318 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|0,0,1]=3 9319 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,1,0,0,0,0|1,0,1]=4 9320 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,1]=3 9321 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [1,1,0,0,0,0|1,0,1]=4 9322 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [1,1,0,0,0,0|1,0,1]=4 9323 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [1,1,0,0,0,0|1,0,1]=4 9324 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [1,1,0,0,0,0|1,0,1]=4 9325 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [1,1,0,0,0,0|1,0,0]=3 9326 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [1,1,0,0,0,0|1,0,0]=3 9327 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [1,1,0,0,0,0|1,0,0]=3 9328 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [1,1,0,0,0,0|1,0,0]=3 9329 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [1,1,0,0,0,0|1,0,0]=3 9330 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [1,1,0,0,0,0|1,0,0]=3 9331 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [1,1,0,0,0,0|1,0,0]=3 9332 B11R0.40 C=CCCCCCOC(C)CF 34a_100016041109_100000700193 [1,1,0,0,0,0|2,0,0]=4 9333 B11R0.40 C=CCCCCCOC(C)CF 7a_100016041109_100000700193 [1,1,0,0,0,0|2,0,0]=4 9334 B11R0.40 C=CCCCCCOC(C)CN 34a_100000210904_100000700193 [1,1,0,0,0,0|2,0,0]=4 9335 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [1,1,0,0,0,0|1,0,0]=3 9336 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [1,1,0,0,0,0|1,0,0]=3 9337 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [1,1,0,0,0,0|1,0,0]=3 9338 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [1,1,0,0,0,0|1,0,0]=3 9339 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [1,1,0,0,0,0|1,0,0]=3 9340 B11R0.40 C=CCCCCCSC(C)OC 62a_100000700193_100009879195 [1,1,0,0,0,0|2,0,0]=4 9341 B11R0.40 C=CCCCCCSC(C)OC 62a_100009879195_100000700193 [1,1,0,0,0,0|2,0,0]=4 9342 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [1,1,0,0,0,0|1,0,0]=3 9343 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [1,1,0,0,0,0|1,0,0]=3 9344 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [1,1,0,0,0,0|1,0,0]=3 9345 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [1,1,0,0,0,0|1,0,0]=3 9346 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [1,1,0,0,0,0|1,0,0]=3 9347 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [1,1,0,0,0,0|1,0,0]=3 9348 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [1,1,0,0,0,0|1,0,0]=3 9349 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [1,1,0,0,0,0|1,0,0]=3 9350 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [1,1,0,0,0,0|1,0,0]=3 9351 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [1,1,0,0,0,0|1,0,0]=3 9352 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [1,1,0,0,0,0|1,0,0]=3 9353 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [1,1,0,0,0,0|1,0,0]=3 9354 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [1,1,0,0,0,0|1,0,0]=3 9355 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [1,1,0,0,0,0|1,0,0]=3 9356 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [1,1,0,0,0,0|1,0,0]=3 9357 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [1,1,0,0,0,0|1,0,0]=3 9358 B11R0.40 C=CCCCCNC[C@@H](C)OC 2230a_100020591295_100011215482 [1,1,0,0,0,0|2,0,0]=4 9359 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [1,1,0,0,0,0|1,0,0]=3 9360 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [1,1,0,0,0,0|2,0,0]=4 9361 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [1,1,0,0,0,0|2,0,0]=4 9362 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [1,1,0,0,0,0|1,0,0]=3 9363 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [1,1,0,0,0,0|1,0,0]=3 9364 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [1,1,0,0,0,0|1,0,0]=3 9365 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [1,1,0,0,0,0|1,0,1]=4 9366 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [1,1,0,0,0,0|1,0,1]=4 9367 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [1,1,0,0,0,0|1,0,0]=3 9368 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [1,1,0,0,0,0|1,0,0]=3 9369 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [1,1,0,0,0,0|2,0,0]=4 9370 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [1,1,0,0,0,0|2,0,0]=4 9371 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [1,1,0,0,0,0|2,0,0]=4 9372 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [1,1,0,0,0,0|1,0,0]=3 9373 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [1,1,0,0,0,0|1,0,0]=3 9374 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [1,1,0,0,0,0|1,0,0]=3 9375 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [1,1,0,0,0,0|1,0,0]=3 9376 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [1,1,0,0,0,0|1,0,0]=3 9377 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [1,1,0,0,0,0|1,0,0]=3 9378 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [1,1,0,0,0,0|1,0,0]=3 9379 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [1,1,0,0,0,0|1,0,0]=3 9380 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [1,1,0,0,0,0|1,0,0]=3 9381 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [1,1,0,0,0,0|2,0,0]=4 9382 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [1,1,0,0,0,0|2,0,0]=4 9383 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [1,1,0,0,0,0|1,0,0]=3 9384 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [1,1,0,0,0,0|1,0,0]=3 9385 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [1,1,0,0,0,0|2,0,0]=4 9386 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [1,1,0,0,0,0|1,0,1]=4 9387 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [1,1,0,0,0,0|1,0,1]=4 9388 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [1,1,0,0,0,0|1,0,0]=3 9389 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [1,1,0,0,0,0|1,0,0]=3 9390 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [1,1,0,0,0,0|1,0,0]=3 9391 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [1,1,0,0,0,0|1,0,0]=3 9392 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [1,1,0,0,0,0|1,0,0]=3 9393 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [1,1,0,0,0,0|1,0,0]=3 9394 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [1,1,0,0,0,0|1,0,0]=3 9395 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [1,1,0,0,0,0|1,0,0]=3 9396 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [1,1,0,0,0,0|1,0,0]=3 9397 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [1,1,0,0,0,0|1,0,0]=3 9398 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [1,1,0,0,0,0|2,0,0]=4 9399 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [1,1,0,0,0,0|2,0,0]=4 9400 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [1,1,0,0,0,0|1,0,0]=3 9401 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [1,1,0,0,0,0|1,0,0]=3 9402 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [1,1,0,0,0,0|1,0,0]=3 9403 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [1,1,0,0,0,0|1,0,0]=3 9404 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [1,1,0,0,0,0|1,0,0]=3 9405 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [1,1,0,0,0,0|1,0,0]=3 9406 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [1,1,0,0,0,0|2,0,0]=4 9407 B11R0.40 C=CCCNCCCN(C)CC 2230a_100015191253_100015186262 [1,1,0,0,0,0|2,0,0]=4 9408 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [1,1,0,0,0,0|1,0,0]=3 9409 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [1,1,0,0,0,0|2,0,0]=4 9410 B11R0.40 C=CCCSCCCN(C)CC 62a_100000754431_100015186262 [1,1,0,0,0,0|2,0,0]=4 9411 B11R0.40 C=CCOCCOCC(C)CC 34a_100000037705_100000748023 [1,1,0,0,0,0|2,0,0]=4 9412 B11R0.40 C=CCOCCOCC(C)CC 7a_100000037705_100000748023 [1,1,0,0,0,0|2,0,0]=4 9413 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [1,1,0,0,0,0|2,0,0]=4 9414 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [1,1,0,0,0,0|2,0,0]=4 9415 B11R0.40 C=CCOCCOCC(O)CO 34a_100000037705_100011219619 [1,1,0,0,0,0|2,0,0]=4 9416 B11R0.40 C=CCOCCOCC(O)CO 7a_100000037705_100011219619 [1,1,0,0,0,0|2,0,0]=4 9417 B11R0.40 C=CCOCCOC[C@@H](C)CC 34a_100000037705_100009816398 [1,1,0,0,0,0|2,0,0]=4 9418 B11R0.40 C=CCOCCOC[C@@H](C)CC 7a_100000037705_100009816398 [1,1,0,0,0,0|2,0,0]=4 9419 B11R0.40 C=CCOCCOC[C@@H](C)CO 34a_100000037705_100000059175 [1,1,0,0,0,0|2,0,0]=4 9420 B11R0.40 C=CCOCCOC[C@@H](C)CO 7a_100000037705_100000059175 [1,1,0,0,0,0|2,0,0]=4 9421 B11R0.40 C=CCOCCOC[C@@H](O)CO 34a_100000037705_100009815848 [1,1,0,0,0,0|2,0,0]=4 9422 B11R0.40 C=CCOCCOC[C@@H](O)CO 7a_100000037705_100009815848 [1,1,0,0,0,0|2,0,0]=4 9423 B11R0.40 C=COCCCCOC(C)CC 34a_100000031558_100011215416 [1,1,0,0,0,0|2,0,0]=4 9424 B11R0.40 C=COCCCCOC(C)CC 7a_100000031558_100000758301 [1,1,0,0,0,0|2,0,0]=4 9425 B11R0.40 C=COCCCCOC(C)CO 34a_100000031558_100012180447 [1,1,0,0,0,0|2,0,0]=4 9426 B11R0.40 C=COCCCCOC(C)CO 7a_100000031558_100012180447 [1,1,0,0,0,0|2,0,0]=4 9427 B11R0.40 C=COCCCNCC(C)CC 2230a_100000210767_100000748023 [1,1,0,0,0,0|2,0,0]=4 9428 B11R0.40 C=COCCCNCC(C)CC 270004a_100000210767_100000243153 [1,1,0,0,0,0|2,0,0]=4 9429 B11R0.40 C=COCCCNCC(C)CC 34a_100000210767_100000748023 [1,1,0,0,0,0|2,0,0]=4 9430 B11R0.40 C=COCCCNCC(O)CC 2230a_100000210767_100011218378 [1,1,0,0,0,0|2,0,0]=4 9431 B11R0.40 C=COCCCNCC(O)CC 34a_100000210767_100011218378 [1,1,0,0,0,0|2,0,0]=4 9432 B11R0.40 C=COCCCNCC(O)CO 2230a_100000210767_100011219619 [1,1,0,0,0,0|2,0,0]=4 9433 B11R0.40 C=COCCCNCC(O)CO 34a_100000210767_100011219619 [1,1,0,0,0,0|2,0,0]=4 9434 B11R0.40 C=COCCCNC[C@@H](C)CC 2230a_100000210767_100009816398 [1,1,0,0,0,0|2,0,0]=4 9435 B11R0.40 C=COCCCNC[C@@H](C)CC 34a_100000210767_100009816398 [1,1,0,0,0,0|2,0,0]=4 9436 B11R0.40 C=COCCCNC[C@@H](C)CO 2230a_100000210767_100000059175 [1,1,0,0,0,0|2,0,0]=4 9437 B11R0.40 C=COCCCNC[C@@H](C)CO 34a_100000210767_100000059175 [1,1,0,0,0,0|2,0,0]=4 9438 B11R0.40 C=COCCCNC[C@@H](O)CO 2230a_100000210767_100009815848 [1,1,0,0,0,0|2,0,0]=4 9439 B11R0.40 C=COCCCNC[C@@H](O)CO 34a_100000210767_100009815848 [1,1,0,0,0,0|2,0,0]=4 9440 B11R0.40 C=COCCNCCC(C)CC 2230a_100020591266_100000039644 [1,1,0,0,0,0|2,0,0]=4 9441 B11R0.40 C=COCCNCCC(C)CO 2230a_106354213184_100000039644 [1,1,0,0,0,0|2,0,0]=4 9442 B11R0.40 C=COCCNCCC(C)CO 34a_106354213184_100000039644 [1,1,0,0,0,0|2,0,0]=4 9443 B11R0.40 C=COCCOCCC(C)CC 7a_100011215188_100000039644 [1,1,0,0,0,0|2,0,0]=4 9444 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [1,1,0,0,0,0|1,0,0]=3 9445 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [1,1,0,0,0,0|2,0,0]=4 9446 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [1,1,0,0,0,0|1,0,0]=3 9447 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.40 C=C[C@H](N)COCCCOCC 34a_100016989147_100012232248 [1,1,0,0,0,0|2,0,0]=4 9449 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [1,1,0,0,0,0|2,0,0]=4 9450 B11R0.40 C=C[C@H](N)COCCOCCO 34a_100016989147_100000692535 [1,1,0,0,0,0|2,0,0]=4 9451 B11R0.40 C=C[C@H](N)COCOCCCC 34a_100016989147_100011995733 [1,1,0,0,0,0|2,0,0]=4 9452 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [1,1,0,0,0,0|2,0,0]=4 9453 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [1,1,0,0,0,0|2,0,0]=4 9454 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [1,1,0,0,0,0|2,0,0]=4 9455 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|2,0,0]=4 9456 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [1,1,0,0,0,0|2,0,0]=4 9457 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [1,1,0,0,0,0|2,0,0]=4 9458 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [1,1,0,0,0,0|2,0,0]=4 9459 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [1,1,0,0,0,0|2,0,0]=4 9460 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [1,1,0,0,0,0|2,0,0]=4 9461 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [1,1,0,0,0,0|2,0,0]=4 9462 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [1,1,0,0,0,0|2,0,0]=4 9463 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 9464 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 9465 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [1,1,0,0,0,0|2,0,0]=4 9466 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [1,1,0,0,0,0|2,0,0]=4 9467 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [1,1,0,0,0,0|2,0,0]=4 9468 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [1,1,0,0,0,0|2,0,0]=4 9469 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [1,1,0,0,0,0|2,0,0]=4 9470 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [1,1,0,0,0,0|2,0,0]=4 9471 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 9472 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [1,1,0,0,0,0|2,0,0]=4 9473 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [1,1,0,0,0,0|2,0,0]=4 9474 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [1,1,0,0,0,0|2,0,0]=4 9475 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|0,0,2]=4 9476 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|0,0,2]=4 9477 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [1,1,0,0,0,0|1,0,1]=4 9478 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [1,1,0,0,0,0|2,0,0]=4 9479 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [1,1,0,0,0,0|1,0,1]=4 9480 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [1,1,0,0,0,0|2,0,0]=4 9481 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [1,1,0,0,0,0|1,0,1]=4 9482 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [1,1,0,0,0,0|2,0,0]=4 9483 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 9484 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [1,1,0,0,0,0|1,0,1]=4 9485 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [1,1,0,0,0,0|1,0,1]=4 9486 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 9487 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [1,1,0,0,0,0|2,0,0]=4 9488 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [1,1,0,0,0,0|2,0,0]=4 9489 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [1,1,0,0,0,0|1,0,1]=4 9490 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [1,1,0,0,0,0|1,0,1]=4 9491 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [1,1,0,0,0,0|2,0,0]=4 9492 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [1,1,0,0,0,0|1,0,1]=4 9493 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [1,1,0,0,0,0|1,0,1]=4 9494 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [1,1,0,0,0,0|1,0,1]=4 9495 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [1,1,0,0,0,0|2,0,0]=4 9496 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [1,1,0,0,0,0|1,0,1]=4 9497 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [1,1,0,0,0,0|2,0,0]=4 9498 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [1,1,0,0,0,0|2,0,0]=4 9499 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [1,1,0,0,0,0|1,0,1]=4 9500 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [1,1,0,0,0,0|1,0,1]=4 9501 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [1,1,0,0,0,0|2,0,0]=4 9502 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 9503 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [1,1,0,0,0,0|1,0,1]=4 9504 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 9505 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [1,1,0,0,0,0|2,0,0]=4 9506 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [1,1,0,0,0,0|2,0,0]=4 9507 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [1,1,0,0,0,0|1,0,1]=4 9508 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [1,1,0,0,0,0|1,0,1]=4 9509 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,2]=4 9510 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,1]=4 9511 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 9512 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 9513 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 9514 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 9515 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [1,1,0,0,0,0|1,0,1]=4 9516 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [1,1,0,0,0,0|1,0,1]=4 9517 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 9518 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 9519 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [1,1,0,0,0,0|1,0,1]=4 9520 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [1,1,0,0,0,0|1,0,1]=4 9521 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [1,1,0,0,0,0|1,0,1]=4 9522 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [1,1,0,0,0,0|1,0,1]=4 9523 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [1,1,0,0,0,0|1,0,1]=4 9524 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [1,1,0,0,0,0|1,0,1]=4 9525 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [1,1,0,0,0,0|1,0,1]=4 9526 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [1,1,0,0,0,0|1,0,1]=4 9527 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [1,1,0,0,0,0|1,0,1]=4 9528 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 9529 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 9530 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 9531 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 9532 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 9533 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 9534 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [1,1,0,0,0,0|1,0,1]=4 9535 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [1,1,0,0,0,0|1,0,1]=4 9536 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [1,1,0,0,0,0|1,0,1]=4 9537 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [1,1,0,0,0,0|1,0,1]=4 9538 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [1,1,0,0,0,0|1,0,1]=4 9539 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [1,1,0,0,0,0|1,0,1]=4 9540 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [1,1,0,0,0,0|1,0,1]=4 9541 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [1,1,0,0,0,0|1,0,1]=4 9542 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 9543 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 9544 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 9545 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 9546 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [1,1,0,0,0,0|2,0,0]=4 9547 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|1,0,1]=4 9548 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [1,1,0,0,0,0|2,0,0]=4 9549 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [1,1,0,0,0,0|2,0,0]=4 9550 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [1,1,0,0,0,0|1,0,1]=4 9551 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [1,1,0,0,0,0|1,0,1]=4 9552 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 9553 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 9554 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 9555 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [1,1,0,0,0,0|2,0,0]=4 9556 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [1,1,0,0,0,0|2,0,0]=4 9557 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 9558 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 9559 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [1,1,0,0,0,0|2,0,0]=4 9560 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [1,1,0,0,0,0|2,0,0]=4 9561 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 9562 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [1,1,0,0,0,0|2,0,0]=4 9563 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [1,1,0,0,0,0|2,0,0]=4 9564 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [1,1,0,0,0,0|2,0,0]=4 9565 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [1,1,0,0,0,0|2,0,0]=4 9566 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [1,1,0,0,0,0|2,0,0]=4 9567 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 9568 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [1,1,0,0,0,0|2,0,0]=4 9569 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [1,1,0,0,0,0|2,0,0]=4 9570 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [1,1,0,0,0,0|2,0,0]=4 9571 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [1,1,0,0,0,0|2,0,0]=4 9572 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [1,1,0,0,0,0|2,0,0]=4 9573 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [1,1,0,0,0,0|2,0,0]=4 9574 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [1,1,0,0,0,0|2,0,0]=4 9575 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [1,1,0,0,0,0|2,0,0]=4 9576 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [1,1,0,0,0,0|2,0,0]=4 9577 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 9578 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 9579 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [1,1,0,0,0,0|2,0,0]=4 9580 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|1,0,1]=4 9581 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,1]=4 9582 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [1,1,0,0,0,0|2,0,0]=4 9583 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [1,1,0,0,0,0|2,0,0]=4 9584 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [1,1,0,0,0,0|2,0,0]=4 9585 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [1,1,0,0,0,0|2,0,0]=4 9586 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [1,1,0,0,0,0|2,0,0]=4 9587 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [1,1,0,0,0,0|2,0,0]=4 9588 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [1,1,0,0,0,0|2,0,0]=4 9589 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 9590 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 9591 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [1,1,0,0,0,0|2,0,0]=4 9592 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [1,1,0,0,0,0|2,0,0]=4 9593 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [1,1,0,0,0,0|2,0,0]=4 9594 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [1,1,0,0,0,0|2,0,0]=4 9595 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 9596 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 9597 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [1,1,0,0,0,0|2,0,0]=4 9598 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [1,1,0,0,0,0|2,0,0]=4 9599 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [1,1,0,0,0,0|2,0,0]=4 9600 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 9601 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 9602 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [1,1,0,0,0,0|2,0,0]=4 9603 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [1,1,0,0,0,0|2,0,0]=4 9604 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 9605 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [1,1,0,0,0,0|2,0,0]=4 9606 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [1,1,0,0,0,0|2,0,0]=4 9607 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [1,1,0,0,0,0|2,0,0]=4 9608 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 9609 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [1,1,0,0,0,0|2,0,0]=4 9610 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [1,1,0,0,0,0|2,0,0]=4 9611 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [1,1,0,0,0,0|2,0,0]=4 9612 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [1,1,0,0,0,0|2,0,0]=4 9613 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [1,1,0,0,0,0|2,0,0]=4 9614 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 9615 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 9616 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [1,1,0,0,0,0|2,0,0]=4 9617 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [1,1,0,0,0,0|2,0,0]=4 9618 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [1,1,0,0,0,0|2,0,0]=4 9619 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [1,1,0,0,0,0|2,0,0]=4 9620 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|0,0,1]=3 9621 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|0,0,1]=3 9622 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [1,1,0,0,0,0|1,0,1]=4 9623 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [1,1,0,0,0,0|0,0,1]=3 9624 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [1,1,0,0,0,0|0,0,1]=3 9625 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [1,1,0,0,0,0|1,0,1]=4 9626 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [1,1,0,0,0,0|1,0,1]=4 9627 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [1,1,0,0,0,0|1,0,1]=4 9628 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100000749702_100011215305 [1,1,0,0,0,0|1,0,1]=4 9629 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100011229844_100000754431 [1,1,0,0,0,0|1,0,1]=4 9630 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [1,1,0,0,0,0|1,0,1]=4 9631 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [1,1,0,0,0,0|1,0,1]=4 9632 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [1,1,0,0,0,0|1,0,1]=4 9633 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 9634 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 9635 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 9636 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 9637 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [1,1,0,0,0,0|1,0,1]=4 9638 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [1,1,0,0,0,0|1,0,1]=4 9639 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [1,1,0,0,0,0|1,0,0]=3 9640 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [1,1,0,0,0,0|1,0,0]=3 9641 B11R0.81 C=CCCC(C)NCCCOC 270004a_100150723488_100000762624 [1,1,0,0,0,0|2,0,0]=4 9642 B11R0.81 C=CCCC(C)NCCCSC 270004a_100000749238_100000762624 [1,1,0,0,0,0|2,0,0]=4 9643 B11R0.81 C=CCCC(C)NCCOCC 270004a_102516460346_100000762624 [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.81 C=CCCC(C)NCCSCC 270004a_100000106463_100000762624 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [1,1,0,0,0,0|1,0,0]=3 9646 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [1,1,0,0,0,0|1,0,0]=3 9647 B11R0.81 C=CCCC(C)OCCCCF 34a_100000765329_100000729493 [1,1,0,0,0,0|2,0,0]=4 9648 B11R0.81 C=CCCC(C)OCCCCF 7a_100000765329_100000729493 [1,1,0,0,0,0|2,0,0]=4 9649 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [1,1,0,0,0,0|1,0,0]=3 9650 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [1,1,0,0,0,0|1,0,0]=3 9651 B11R0.81 C=CCCC(C)OCCCOC 34a_100000765329_100000740836 [1,1,0,0,0,0|2,0,0]=4 9652 B11R0.81 C=CCCC(C)OCCCOC 7a_100000765329_100000740836 [1,1,0,0,0,0|2,0,0]=4 9653 B11R0.81 C=CCCC(C)OCCOCC 34a_100000765329_100000210147 [1,1,0,0,0,0|2,0,0]=4 9654 B11R0.81 C=CCCC(C)OCCOCC 7a_100000765329_100011215890 [1,1,0,0,0,0|2,0,0]=4 9655 B11R0.81 C=CCCC(C)OCCSCC 34a_100000765329_100000757381 [1,1,0,0,0,0|2,0,0]=4 9656 B11R0.81 C=CCCC(C)OCCSCC 7a_100000765329_100000757381 [1,1,0,0,0,0|2,0,0]=4 9657 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,1,0,0,0,0|0,0,1]=3 9658 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,1,0,0,0,0|0,0,1]=3 9659 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [1,1,0,0,0,0|1,0,1]=4 9660 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [1,1,0,0,0,0|0,0,1]=3 9661 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [1,1,0,0,0,0|1,0,1]=4 9662 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [1,1,0,0,0,0|1,0,1]=4 9663 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [1,1,0,0,0,0|1,0,1]=4 9664 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [1,1,0,0,0,0|1,0,1]=4 9665 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [1,1,0,0,0,0|1,0,1]=4 9666 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [1,1,0,0,0,0|1,0,1]=4 9667 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [1,1,0,0,0,0|1,0,1]=4 9668 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [1,1,0,0,0,0|1,0,1]=4 9669 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [1,1,0,0,0,0|1,0,1]=4 9670 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [1,1,0,0,0,0|1,0,1]=4 9671 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [1,1,0,0,0,0|1,0,1]=4 9672 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [1,1,0,0,0,0|1,0,1]=4 9673 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [1,1,0,0,0,0|1,0,0]=3 9674 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [1,1,0,0,0,0|1,0,0]=3 9675 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [1,1,0,0,0,0|1,0,0]=3 9676 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [1,1,0,0,0,0|1,0,0]=3 9677 B11R0.81 C=CCCCCN(C)CCCF 2230a_100012000471_100011934791 [1,1,0,0,0,0|2,0,0]=4 9678 B11R0.81 C=CCCCCN(C)CCCF 269982a_100012000471_100011934791 [1,1,0,0,0,0|2,0,0]=4 9679 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [1,1,0,0,0,0|1,0,0]=3 9680 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [1,1,0,0,0,0|1,0,0]=3 9681 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [1,1,0,0,0,0|1,0,0]=3 9682 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [1,1,0,0,0,0|1,0,0]=3 9683 B11R0.81 C=CCCCCN(C)CCOC 2230a_100000743101_100011215482 [1,1,0,0,0,0|2,0,0]=4 9684 B11R0.81 C=CCCCCN(C)CCOC 2230a_100012000471_100011201679 [1,1,0,0,0,0|2,0,0]=4 9685 B11R0.81 C=CCCCCN(C)CCOC 269982a_100000743101_100011215482 [1,1,0,0,0,0|2,0,0]=4 9686 B11R0.81 C=CCCCCN(C)CCOC 269982a_100012000471_100000233755 [1,1,0,0,0,0|2,0,0]=4 9687 B11R0.81 C=CCCCCN(C)CCSC 2230a_100000686725_100011215482 [1,1,0,0,0,0|2,0,0]=4 9688 B11R0.81 C=CCCCCN(C)CCSC 2230a_100012000471_100000751147 [1,1,0,0,0,0|2,0,0]=4 9689 B11R0.81 C=CCCCCN(C)CCSC 269982a_100000686725_100011215482 [1,1,0,0,0,0|2,0,0]=4 9690 B11R0.81 C=CCCCCN(C)CCSC 269982a_100012000471_100000212216 [1,1,0,0,0,0|2,0,0]=4 9691 B11R0.81 C=CCCCCN(C)COCC 269982a_100012000471_100000739092 [1,1,0,0,0,0|2,0,0]=4 9692 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [1,1,0,0,0,0|1,0,1]=4 9693 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [1,1,0,0,0,0|1,0,1]=4 9694 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [1,1,0,0,0,0|1,0,1]=4 9695 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [1,1,0,0,0,0|1,0,1]=4 9696 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [1,1,0,0,0,0|1,0,0]=3 9697 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [1,1,0,0,0,0|1,0,0]=3 9698 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [1,1,0,0,0,0|1,0,0]=3 9699 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [1,1,0,0,0,0|1,0,0]=3 9700 B11R0.81 C=CCCCNC(C)CCOC 270004a_100000700776_100000742357 [1,1,0,0,0,0|2,0,0]=4 9701 B11R0.81 C=CCCCNC(C)CCSC 270004a_100000700776_100011217047 [1,1,0,0,0,0|2,0,0]=4 9702 B11R0.81 C=CCCCNC(C)CSCC 270004a_100000700776_200011216171 [1,1,0,0,0,0|2,0,0]=4 9703 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [1,1,0,0,0,0|1,0,0]=3 9704 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [1,1,0,0,0,0|1,0,0]=3 9705 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [1,1,0,0,0,0|1,0,0]=3 9706 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [1,1,0,0,0,0|1,0,0]=3 9707 B11R0.81 C=CCCCOC(C)CCCCl 34a_200000718107_100000757094 [1,1,0,0,0,0|2,0,0]=4 9708 B11R0.81 C=CCCCOC(C)CCCCl 7a_200000718107_100000757094 [1,1,0,0,0,0|2,0,0]=4 9709 B11R0.81 C=CCCCOC(C)COCC 34a_100000718985_100000757094 [1,1,0,0,0,0|2,0,0]=4 9710 B11R0.81 C=CCCCOC(C)COCC 7a_100000718985_100000757094 [1,1,0,0,0,0|2,0,0]=4 9711 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [1,1,0,0,0,0|1,0,0]=3 9712 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [1,1,0,0,0,0|1,0,0]=3 9713 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [1,1,0,0,0,0|1,0,0]=3 9714 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [1,1,0,0,0,0|1,0,0]=3 9715 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [1,1,0,0,0,0|1,0,0]=3 9716 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [1,1,0,0,0,0|1,0,0]=3 9717 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [1,1,0,0,0,0|2,0,0]=4 9718 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [1,1,0,0,0,0|2,0,0]=4 9719 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [1,1,0,0,0,0|1,0,0]=3 9720 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [1,1,0,0,0,0|1,0,0]=3 9721 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [1,1,0,0,0,0|1,0,0]=3 9722 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [1,1,0,0,0,0|1,0,0]=3 9723 B11R0.81 C=CCCN(C)CCCCOC 2230a_100020639649_100000730899 [1,1,0,0,0,0|2,0,0]=4 9724 B11R0.81 C=CCCN(C)CCCCOC 269982a_100020639649_100000730899 [1,1,0,0,0,0|2,0,0]=4 9725 B11R0.81 C=CCCN(C)CCCOCC 2230a_100020639649_100012232248 [1,1,0,0,0,0|2,0,0]=4 9726 B11R0.81 C=CCCN(C)CCCOCC 269982a_100020639649_100012232248 [1,1,0,0,0,0|2,0,0]=4 9727 B11R0.81 C=CCCN(C)CCOCCC 2230a_100020639649_100011215938 [1,1,0,0,0,0|2,0,0]=4 9728 B11R0.81 C=CCCN(C)CCOCCC 269982a_100020639649_100011215938 [1,1,0,0,0,0|2,0,0]=4 9729 B11R0.81 C=CCCN(C)CCOCCO 2230a_100000228057_100000754431 [1,1,0,0,0,0|2,0,0]=4 9730 B11R0.81 C=CCCN(C)CCOCCO 2230a_100020639649_100011215305 [1,1,0,0,0,0|2,0,0]=4 9731 B11R0.81 C=CCCN(C)CCOCCO 269982a_100000228057_100000754431 [1,1,0,0,0,0|2,0,0]=4 9732 B11R0.81 C=CCCN(C)CCOCCO 269982a_100020639649_100011215305 [1,1,0,0,0,0|2,0,0]=4 9733 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [1,1,0,0,0,0|2,0,0]=4 9734 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [1,1,0,0,0,0|2,0,0]=4 9735 B11R0.81 C=CCCNCC(C)OCCC 2230a_100015185124_100000754431 [1,1,0,0,0,0|2,0,0]=4 9736 B11R0.81 C=CCCNCC(C)OCCC 34a_100015185124_100000754431 [1,1,0,0,0,0|2,0,0]=4 9737 B11R0.81 C=CCCNCC(O)COCC 2230a_102515437182_100000754431 [1,1,0,0,0,0|2,0,0]=4 9738 B11R0.81 C=CCCNCC(O)COCC 34a_102515437182_100000754431 [1,1,0,0,0,0|2,0,0]=4 9739 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [1,1,0,0,0,0|1,0,0]=3 9740 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [1,1,0,0,0,0|1,0,0]=3 9741 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [1,1,0,0,0,0|1,0,0]=3 9742 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [1,1,0,0,0,0|1,0,0]=3 9743 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|1,0,0]=3 9744 B11R0.81 C=CCCOC[C@@H](N)CCSC 34a_100011827619_100000754431 [1,1,0,0,0,0|2,0,0]=4 9745 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 9746 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 9747 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 9748 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [1,1,0,0,0,0|1,0,1]=4 9749 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [1,1,0,0,0,0|1,0,0]=3 9750 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [1,1,0,0,0,0|1,0,0]=3 9751 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [1,1,0,0,0,0|1,0,0]=3 9752 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [1,1,0,0,0,0|1,0,0]=3 9753 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [1,1,0,0,0,0|1,0,0]=3 9754 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [1,1,0,0,0,0|1,0,0]=3 9755 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [1,1,0,0,0,0|1,0,0]=3 9756 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [1,1,0,0,0,0|2,0,0]=4 9757 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [1,1,0,0,0,0|2,0,0]=4 9758 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [1,1,0,0,0,0|1,0,1]=4 9759 B11R0.81 C=CCOCCC(=O)CCCO 1458a_200011217002_100011215043 [1,1,0,0,0,0|1,0,1]=4 9760 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [1,1,0,0,0,0|1,0,0]=3 9761 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [1,1,0,0,0,0|1,0,0]=3 9762 B11R0.81 C=COCCNC(C)CCCC 2230a_100000126638_100000039644 [1,1,0,0,0,0|2,0,0]=4 9763 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [1,1,0,0,0,0|2,0,0]=4 9764 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [1,1,0,0,0,0|2,0,0]=4 9765 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [1,1,0,0,0,0|2,0,0]=4 9766 B11R0.81 C=COCCSC(C)CCCC 62a_100000039644_200011215066 [1,1,0,0,0,0|2,0,0]=4 9767 B11R0.81 C=COCCSC(C)CCCC 62a_200011215066_100000039644 [1,1,0,0,0,0|2,0,0]=4 9768 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [1,1,0,0,0,0|2,0,0]=4 9769 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [1,1,0,0,0,0|2,0,0]=4 9770 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|0,0,2]=4 9771 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|0,0,2]=4 9772 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 9773 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 9774 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 9775 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 9776 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,1]=4 9777 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,1]=4 9778 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|2,0,0]=4 9779 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [1,1,0,0,0,0|1,0,1]=4 9780 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 9781 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [1,1,0,0,0,0|1,0,1]=4 9782 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 9783 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|2,0,0]=4 9784 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [1,1,0,0,0,0|1,0,1]=4 9785 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [1,1,0,0,0,0|1,0,1]=4 9786 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|2,0,0]=4 9787 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|2,0,0]=4 9788 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [1,1,0,0,0,0|1,0,1]=4 9789 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [1,1,0,0,0,0|1,0,1]=4 9790 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 9791 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 9792 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 9793 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 9794 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 9795 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|2,0,0]=4 9796 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|2,0,0]=4 9797 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 9798 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [1,1,0,0,0,0|1,0,1]=4 9799 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [1,1,0,0,0,0|1,0,1]=4 9800 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 9801 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [1,1,0,0,0,0|1,0,1]=4 9802 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|2,0,0]=4 9803 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|2,0,0]=4 9804 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 9805 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 9806 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|2,0,0]=4 9807 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|2,0,0]=4 9808 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [1,1,0,0,0,0|1,0,1]=4 9809 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [1,1,0,0,0,0|1,0,1]=4 9810 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [1,1,0,0,0,0|1,0,1]=4 9811 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [1,1,0,0,0,0|1,0,1]=4 9812 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [1,1,0,0,0,0|1,0,1]=4 9813 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [1,1,0,0,0,0|1,0,1]=4 9814 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|2,0,0]=4 9815 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|2,0,0]=4 9816 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 9817 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 9818 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 9819 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 9820 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [1,1,0,0,0,0|1,0,1]=4 9821 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,1]=4 9822 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 9823 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [1,1,0,0,0,0|2,0,0]=4 9824 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [1,1,0,0,0,0|2,0,0]=4 9825 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 9826 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 9827 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [1,1,0,0,0,0|2,0,0]=4 9828 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [1,1,0,0,0,0|2,0,0]=4 9829 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [1,1,0,0,0,0|2,0,0]=4 9830 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [1,1,0,0,0,0|2,0,0]=4 9831 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [1,1,0,0,0,0|2,0,0]=4 9832 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [1,1,0,0,0,0|2,0,0]=4 9833 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [1,1,0,0,0,0|2,0,0]=4 9834 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [1,1,0,0,0,0|2,0,0]=4 9835 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 9836 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 9837 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [1,1,0,0,0,0|1,0,1]=4 9838 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [1,1,0,0,0,0|1,0,1]=4 9839 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|0,0,1]=3 9840 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|0,0,1]=3 9841 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [1,1,0,0,0,0|1,0,1]=4 9842 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [1,1,0,0,0,0|0,0,1]=3 9843 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [1,1,0,0,0,0|0,0,1]=3 9844 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [1,1,0,0,0,0|1,0,1]=4 9845 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [1,1,0,0,0,0|1,0,1]=4 9846 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [1,1,0,0,0,0|1,0,1]=4 9847 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [1,1,0,0,0,0|1,0,1]=4 9848 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [1,1,0,0,0,0|1,0,1]=4 9849 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [1,1,0,0,0,0|1,0,1]=4 9850 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [1,1,0,0,0,0|1,0,1]=4 9851 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [1,1,0,0,0,0|1,0,1]=4 9852 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [1,1,0,0,0,0|1,0,1]=4 9853 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [1,1,0,0,0,0|1,0,1]=4 9854 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 9855 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 9856 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 9857 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 9858 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [1,1,0,0,0,0|1,0,1]=4 9859 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [1,1,0,0,0,0|1,0,1]=4 9860 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,1,0,0,0,0|1,0,0]=3 9861 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,1,0,0,0,0|1,0,0]=3 9862 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [1,1,0,0,0,0|1,0,0]=3 9863 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [1,1,0,0,0,0|1,0,0]=3 9864 B11R0.140 C=CCCCN(C)CCCOC 2230a_100000224831_100011713584 [1,1,0,0,0,0|2,0,0]=4 9865 B11R0.140 C=CCCCN(C)CCCOC 269982a_100000224831_100000757094 [1,1,0,0,0,0|2,0,0]=4 9866 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 9867 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 9868 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 9869 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 9870 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [1,1,0,0,0,0|1,0,1]=4 9871 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|1,0,0]=3 9872 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|1,0,0]=3 9873 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|1,0,0]=3 9874 B11R0.140 C=CCCNC(C)CCCSC 270004a_100015191253_100011399439 [1,1,0,0,0,0|2,0,0]=4 9875 B11R0.140 C=CCCNC(C)CCOCC 270004a_100015191253_200011216536 [1,1,0,0,0,0|2,0,0]=4 9876 B11R0.140 C=CCCNC(C)CSCCC 270004a_100015191253_100011343953 [1,1,0,0,0,0|2,0,0]=4 9877 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|1,0,0]=3 9878 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|1,0,0]=3 9879 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|1,0,0]=3 9880 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [1,1,0,0,0,0|2,0,0]=4 9881 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [1,1,0,0,0,0|2,0,0]=4 9882 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|1,0,0]=3 9883 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|1,0,0]=3 9884 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [1,1,0,0,0,0|1,0,1]=4 9885 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [1,1,0,0,0,0|1,0,1]=4 9886 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [1,1,0,0,0,0|2,0,0]=4 9887 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [1,1,0,0,0,0|1,0,1]=4 9888 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [1,1,0,0,0,0|1,0,1]=4 9889 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [1,1,0,0,0,0|1,0,1]=4 9890 B11R0.140 C=CCSCC(=O)CCCCO 1458a_100000230395_100000210776 [1,1,0,0,0,0|1,0,1]=4 9891 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [1,1,0,0,0,0|1,0,1]=4 9892 B11R0.140 C=COCCC(=O)CCCCO 1458a_100000695505_100000039644 [1,1,0,0,0,0|1,0,1]=4 9893 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [1,1,0,0,0,0|2,0,0]=4 9894 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [1,1,0,0,0,0|2,0,0]=4 9895 B11R0.140 C=COCCN(C)CCCCO 2230a_100000717598_100000039644 [1,1,0,0,0,0|2,0,0]=4 9896 B11R0.140 C=COCCN(C)CCCCO 269982a_100000717598_100000039644 [1,1,0,0,0,0|2,0,0]=4 9897 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,2]=4 9898 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,2]=4 9899 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [1,1,0,0,0,0|1,0,1]=4 9900 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [1,1,0,0,0,0|1,0,1]=4 9901 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,1,0,0,0,0|1,0,1]=4 9902 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,1,0,0,0,0|1,0,1]=4 9903 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [1,1,0,0,0,0|1,0,1]=4 9904 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [1,1,0,0,0,0|1,0,1]=4 9905 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|2,0,0]=4 9906 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|2,0,0]=4 9907 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 9908 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,1,0,0,0,0|1,0,1]=4 9909 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 9910 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,1,0,0,0,0|1,0,1]=4 9911 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 9912 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 9913 B11R0.140 CN(CCCCO)CCCCF 2230a_100000717598_100000729493 [1,1,0,0,0,0|2,0,0]=4 9914 B11R0.140 CN(CCCCO)CCCCF 269982a_100000717598_100000729493 [1,1,0,0,0,0|2,0,0]=4 9915 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [1,1,0,0,0,0|2,0,0]=4 9916 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [1,1,0,0,0,0|2,0,0]=4 9917 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [1,1,0,0,0,0|2,0,0]=4 9918 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [1,1,0,0,0,0|2,0,0]=4 9919 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [1,1,0,0,0,0|2,0,0]=4 9920 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [1,1,0,0,0,0|1,0,1]=4 9921 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [1,1,0,0,0,0|1,0,1]=4 9922 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [1,1,0,0,0,0|2,0,0]=4 9923 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [1,1,0,0,0,0|2,0,0]=4 9924 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,1,0,0,0,0|1,0,0]=3 9925 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [1,1,0,0,0,0|2,0,0]=4 9926 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [1,1,0,0,0,0|1,0,0]=3 9927 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [1,1,0,0,0,0|2,0,0]=4 9928 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [1,1,0,0,0,0|2,0,0]=4 9929 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [1,1,0,0,0,0|2,0,0]=4 9930 B11R0.148 C=C(Br)CCOCCOCCO 34a_100009813270_100000692535 [1,1,0,0,0,0|2,0,0]=4 9931 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [1,1,0,0,0,0|2,0,0]=4 9932 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,0]=3 9933 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [1,1,0,0,0,0|1,0,0]=3 9934 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [1,1,0,0,0,0|1,0,0]=3 9935 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [1,1,0,0,0,0|2,0,0]=4 9936 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [1,1,0,0,0,0|2,0,0]=4 9937 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 9938 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 9939 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [1,1,0,0,0,0|2,0,0]=4 9940 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [1,1,0,0,0,0|2,0,0]=4 9941 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [1,1,0,0,0,0|2,0,0]=4 9942 B11R0.148 C=C(C)CCNCCSCCO 2230a_100011219999_100000730704 [1,1,0,0,0,0|2,0,0]=4 9943 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 9944 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 9945 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,0]=3 9946 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,0]=3 9947 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,0]=3 9948 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 9949 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 9950 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [1,1,0,0,0,0|2,0,0]=4 9951 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 9952 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 9953 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [1,1,0,0,0,0|2,0,0]=4 9954 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [1,1,0,0,0,0|1,0,0]=3 9955 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [1,1,0,0,0,0|2,0,0]=4 9956 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [1,1,0,0,0,0|2,0,0]=4 9957 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [1,1,0,0,0,0|2,0,0]=4 9958 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [1,1,0,0,0,0|2,0,0]=4 9959 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [1,1,0,0,0,0|2,0,0]=4 9960 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [1,1,0,0,0,0|2,0,0]=4 9961 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [1,1,0,0,0,0|2,0,0]=4 9962 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [1,1,0,0,0,0|2,0,0]=4 9963 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [1,1,0,0,0,0|2,0,0]=4 9964 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [1,1,0,0,0,0|2,0,0]=4 9965 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [1,1,0,0,0,0|2,0,0]=4 9966 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [1,1,0,0,0,0|2,0,0]=4 9967 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [1,1,0,0,0,0|2,0,0]=4 9968 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [1,1,0,0,0,0|2,0,0]=4 9969 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [1,1,0,0,0,0|2,0,0]=4 9970 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [1,1,0,0,0,0|2,0,0]=4 9971 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,0]=3 9972 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,0]=3 9973 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [1,1,0,0,0,0|2,0,0]=4 9974 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [1,1,0,0,0,0|2,0,0]=4 9975 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [1,1,0,0,0,0|1,0,0]=3 9976 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [1,1,0,0,0,0|1,0,0]=3 9977 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [1,1,0,0,0,0|2,0,0]=4 9978 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [1,1,0,0,0,0|2,0,0]=4 9979 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [1,1,0,0,0,0|2,0,0]=4 9980 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [1,1,0,0,0,0|2,0,0]=4 9981 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [1,1,0,0,0,0|2,0,0]=4 9982 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [1,1,0,0,0,0|2,0,0]=4 9983 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [1,1,0,0,0,0|2,0,0]=4 9984 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [1,1,0,0,0,0|2,0,0]=4 9985 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [1,1,0,0,0,0|2,0,0]=4 9986 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [1,1,0,0,0,0|2,0,0]=4 9987 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,0]=3 9988 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [1,1,0,0,0,0|1,0,0]=3 9989 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [1,1,0,0,0,0|1,0,0]=3 9990 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [1,1,0,0,0,0|2,0,0]=4 9991 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [1,1,0,0,0,0|2,0,0]=4 9992 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [1,1,0,0,0,0|2,0,0]=4 9993 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [1,1,0,0,0,0|2,0,0]=4 9994 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [1,1,0,0,0,0|2,0,0]=4 9995 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 9996 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 9997 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,0]=3 9998 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,0]=3 9999 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,0]=3 10000 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 10001 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 10002 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [1,1,0,0,0,0|2,0,0]=4 10003 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 10004 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 10005 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [1,1,0,0,0,0|2,0,0]=4 10006 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [1,1,0,0,0,0|1,0,0]=3 10007 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [1,1,0,0,0,0|2,0,0]=4 10008 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [1,1,0,0,0,0|2,0,0]=4 10009 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [1,1,0,0,0,0|2,0,0]=4 10010 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [1,1,0,0,0,0|2,0,0]=4 10011 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [1,1,0,0,0,0|2,0,0]=4 10012 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [1,1,0,0,0,0|2,0,0]=4 10013 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,0]=3 10014 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,0]=3 10015 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [1,1,0,0,0,0|2,0,0]=4 10016 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [1,1,0,0,0,0|2,0,0]=4 10017 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [1,1,0,0,0,0|1,0,0]=3 10018 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [1,1,0,0,0,0|1,0,0]=3 10019 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [1,1,0,0,0,0|2,0,0]=4 10020 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [1,1,0,0,0,0|2,0,0]=4 10021 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,1,0,0,0,0|1,0,0]=3 10022 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [1,1,0,0,0,0|1,0,0]=3 10023 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [1,1,0,0,0,0|1,0,0]=3 10024 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [1,1,0,0,0,0|2,0,0]=4 10025 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [1,1,0,0,0,0|2,0,0]=4 10026 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [1,1,0,0,0,0|2,0,0]=4 10027 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [1,1,0,0,0,0|2,0,0]=4 10028 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [1,1,0,0,0,0|2,0,0]=4 10029 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [1,1,0,0,0,0|2,0,0]=4 10030 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [1,1,0,0,0,0|2,0,0]=4 10031 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,1,0,0,0,0|1,0,0]=3 10032 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,1,0,0,0,0|1,0,0]=3 10033 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,1,0,0,0,0|1,0,0]=3 10034 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [1,1,0,0,0,0|2,0,0]=4 10035 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [1,1,0,0,0,0|2,0,0]=4 10036 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [1,1,0,0,0,0|2,0,0]=4 10037 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [1,1,0,0,0,0|2,0,0]=4 10038 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [1,1,0,0,0,0|2,0,0]=4 10039 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [1,1,0,0,0,0|2,0,0]=4 10040 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [1,1,0,0,0,0|1,0,0]=3 10041 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [1,1,0,0,0,0|2,0,0]=4 10042 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [1,1,0,0,0,0|2,0,0]=4 10043 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [1,1,0,0,0,0|2,0,0]=4 10044 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [1,1,0,0,0,0|2,0,0]=4 10045 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [1,1,0,0,0,0|2,0,0]=4 10046 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [1,1,0,0,0,0|2,0,0]=4 10047 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,1,0,0,0,0|1,0,0]=3 10048 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,1,0,0,0,0|1,0,0]=3 10049 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [1,1,0,0,0,0|2,0,0]=4 10050 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [1,1,0,0,0,0|2,0,0]=4 10051 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [1,1,0,0,0,0|1,0,0]=3 10052 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [1,1,0,0,0,0|1,0,0]=3 10053 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [1,1,0,0,0,0|2,0,0]=4 10054 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [1,1,0,0,0,0|2,0,0]=4 10055 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,1,0,0,0,0|0,0,1]=3 10056 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,1,0,0,0,0|0,0,1]=3 10057 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,1,0,0,0,0|0,0,1]=3 10058 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [1,1,0,0,0,0|1,0,0]=3 10059 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [1,1,0,0,0,0|1,0,0]=3 10060 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [1,1,0,0,0,0|1,0,0]=3 10061 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [1,1,0,0,0,0|1,0,0]=3 10062 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [1,1,0,0,0,0|1,0,0]=3 10063 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [1,1,0,0,0,0|1,0,0]=3 10064 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [1,1,0,0,0,0|1,0,0]=3 10065 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [1,1,0,0,0,0|1,0,0]=3 10066 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [1,1,0,0,0,0|1,0,0]=3 10067 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,1,0,0,0,0|1,0,1]=4 10068 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [1,1,0,0,0,0|1,0,0]=3 10069 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [1,1,0,0,0,0|1,0,0]=3 10070 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [1,1,0,0,0,0|1,0,0]=3 10071 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [1,1,0,0,0,0|1,0,0]=3 10072 B11R0.148 C=CCCCCCNCC(F)F 34a_100000765723_100000700193 [1,1,0,0,0,0|2,0,0]=4 10073 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [1,1,0,0,0,0|1,0,1]=4 10074 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [1,1,0,0,0,0|1,0,1]=4 10075 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [1,1,0,0,0,0|1,0,1]=4 10076 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [1,1,0,0,0,0|1,0,1]=4 10077 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [1,1,0,0,0,0|1,0,0]=3 10078 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [1,1,0,0,0,0|1,0,0]=3 10079 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [1,1,0,0,0,0|1,0,0]=3 10080 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [1,1,0,0,0,0|1,0,0]=3 10081 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [1,1,0,0,0,0|1,0,0]=3 10082 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [1,1,0,0,0,0|1,0,0]=3 10083 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [1,1,0,0,0,0|1,0,0]=3 10084 B11R0.148 C=CCCCCCOCC(F)F 34a_100000743014_100000700193 [1,1,0,0,0,0|2,0,0]=4 10085 B11R0.148 C=CCCCCCOCC(F)F 34a_100011216702_100011934356 [1,1,0,0,0,0|2,0,0]=4 10086 B11R0.148 C=CCCCCCOCC(F)F 7a_100011216702_100011934356 [1,1,0,0,0,0|2,0,0]=4 10087 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [1,1,0,0,0,0|1,0,0]=3 10088 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [1,1,0,0,0,0|1,0,0]=3 10089 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [1,1,0,0,0,0|1,0,0]=3 10090 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [1,1,0,0,0,0|1,0,0]=3 10091 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [1,1,0,0,0,0|1,0,1]=4 10092 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [1,1,0,0,0,0|1,0,1]=4 10093 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [1,1,0,0,0,0|1,0,0]=3 10094 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [1,1,0,0,0,0|1,0,0]=3 10095 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [1,1,0,0,0,0|1,0,0]=3 10096 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [1,1,0,0,0,0|1,0,0]=3 10097 B11R0.148 C=CCCCCCSCC(F)F 62a_100000700193_100011934356 [1,1,0,0,0,0|2,0,0]=4 10098 B11R0.148 C=CCCCCCSCC(F)F 62a_100011934356_100000700193 [1,1,0,0,0,0|2,0,0]=4 10099 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [1,1,0,0,0,0|1,0,0]=3 10100 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [1,1,0,0,0,0|1,0,0]=3 10101 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [1,1,0,0,0,0|1,0,1]=4 10102 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [1,1,0,0,0,0|1,0,1]=4 10103 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [1,1,0,0,0,0|1,0,0]=3 10104 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [1,1,0,0,0,0|1,0,0]=3 10105 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [1,1,0,0,0,0|1,0,0]=3 10106 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [1,1,0,0,0,0|1,0,0]=3 10107 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [1,1,0,0,0,0|1,0,0]=3 10108 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [1,1,0,0,0,0|1,0,0]=3 10109 B11R0.148 C=CCCCCNCOC(C)C 2230a_100000703577_100000709892 [1,1,0,0,0,0|2,0,0]=4 10110 B11R0.148 C=CCCCCNCOC(C)C 34a_100000703577_100000709892 [1,1,0,0,0,0|2,0,0]=4 10111 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [1,1,0,0,0,0|1,0,1]=4 10112 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [1,1,0,0,0,0|1,0,1]=4 10113 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [1,1,0,0,0,0|1,0,1]=4 10114 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [1,1,0,0,0,0|1,0,1]=4 10115 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [1,1,0,0,0,0|1,0,1]=4 10116 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [1,1,0,0,0,0|1,0,1]=4 10117 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [1,1,0,0,0,0|1,0,0]=3 10118 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [1,1,0,0,0,0|1,0,0]=3 10119 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [1,1,0,0,0,0|1,0,0]=3 10120 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [1,1,0,0,0,0|1,0,0]=3 10121 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [1,1,0,0,0,0|1,0,0]=3 10122 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [1,1,0,0,0,0|1,0,0]=3 10123 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [1,1,0,0,0,0|1,0,0]=3 10124 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [1,1,0,0,0,0|2,0,0]=4 10125 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [1,1,0,0,0,0|2,0,0]=4 10126 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,0]=3 10127 B11R0.148 C=CCCCCOCOC(C)C 34a_100000766645_100000709892 [1,1,0,0,0,0|2,0,0]=4 10128 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [1,1,0,0,0,0|1,0,1]=4 10129 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [1,1,0,0,0,0|1,0,1]=4 10130 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [1,1,0,0,0,0|1,0,1]=4 10131 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [1,1,0,0,0,0|1,0,1]=4 10132 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [1,1,0,0,0,0|1,0,0]=3 10133 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [1,1,0,0,0,0|1,0,0]=3 10134 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [1,1,0,0,0,0|1,0,0]=3 10135 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [1,1,0,0,0,0|1,0,0]=3 10136 B11R0.148 C=CCCCCSCCN(C)C 62a_100011215482_100000755713 [1,1,0,0,0,0|2,0,0]=4 10137 B11R0.148 C=CCCCCSCOC(C)C 62a_100000709892_100011215482 [1,1,0,0,0,0|2,0,0]=4 10138 B11R0.148 C=CCCCCSCOC(C)C 62a_100011215482_100000709892 [1,1,0,0,0,0|2,0,0]=4 10139 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [1,1,0,0,0,0|1,0,1]=4 10140 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [1,1,0,0,0,0|1,0,0]=3 10141 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [1,1,0,0,0,0|1,0,0]=3 10142 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [1,1,0,0,0,0|1,0,0]=3 10143 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [1,1,0,0,0,0|1,0,0]=3 10144 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [1,1,0,0,0,0|1,0,0]=3 10145 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [1,1,0,0,0,0|1,0,0]=3 10146 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [1,1,0,0,0,0|2,0,0]=4 10147 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000700776_100000211751 [1,1,0,0,0,0|2,0,0]=4 10148 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000701111_100011713584 [1,1,0,0,0,0|2,0,0]=4 10149 B11R0.148 C=CCCCNCCOC(C)C 34a_100000700776_100000211751 [1,1,0,0,0,0|2,0,0]=4 10150 B11R0.148 C=CCCCNCCOC(C)C 34a_100000701111_100000757094 [1,1,0,0,0,0|2,0,0]=4 10151 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000700776_100000730970 [1,1,0,0,0,0|2,0,0]=4 10152 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000731138_100011713584 [1,1,0,0,0,0|2,0,0]=4 10153 B11R0.148 C=CCCCNCCSC(C)C 34a_100000700776_100000730970 [1,1,0,0,0,0|2,0,0]=4 10154 B11R0.148 C=CCCCNCCSC(C)C 34a_100000731138_100000757094 [1,1,0,0,0,0|2,0,0]=4 10155 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,1,0,0,0,0|1,0,1]=4 10156 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,1,0,0,0,0|1,0,1]=4 10157 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,1,0,0,0,0|1,0,1]=4 10158 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,1,0,0,0,0|1,0,1]=4 10159 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [1,1,0,0,0,0|1,0,0]=3 10160 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [1,1,0,0,0,0|1,0,0]=3 10161 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [1,1,0,0,0,0|1,0,0]=3 10162 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [1,1,0,0,0,0|1,0,0]=3 10163 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [1,1,0,0,0,0|1,0,0]=3 10164 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [1,1,0,0,0,0|1,0,0]=3 10165 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [1,1,0,0,0,0|2,0,0]=4 10166 B11R0.148 C=CCCCOCCNC(C)C 34a_100000224655_100000757094 [1,1,0,0,0,0|2,0,0]=4 10167 B11R0.148 C=CCCCOCCOC(C)C 34a_100000211219_100000757094 [1,1,0,0,0,0|2,0,0]=4 10168 B11R0.148 C=CCCCOCCOC(C)C 34a_100000758997_100000211751 [1,1,0,0,0,0|2,0,0]=4 10169 B11R0.148 C=CCCCOCCOC(C)C 7a_100000211219_100000757094 [1,1,0,0,0,0|2,0,0]=4 10170 B11R0.148 C=CCCCOCCOC(C)C 7a_100000758997_100000211751 [1,1,0,0,0,0|2,0,0]=4 10171 B11R0.148 C=CCCCOCCSC(C)C 34a_100000758997_100000730970 [1,1,0,0,0,0|2,0,0]=4 10172 B11R0.148 C=CCCCOCCSC(C)C 34a_200011212901_100000757094 [1,1,0,0,0,0|2,0,0]=4 10173 B11R0.148 C=CCCCOCCSC(C)C 7a_100000758997_100000730970 [1,1,0,0,0,0|2,0,0]=4 10174 B11R0.148 C=CCCCOCCSC(C)C 7a_200011212901_100000757094 [1,1,0,0,0,0|2,0,0]=4 10175 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [1,1,0,0,0,0|1,0,1]=4 10176 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [1,1,0,0,0,0|1,0,1]=4 10177 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [1,1,0,0,0,0|1,0,0]=3 10178 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [1,1,0,0,0,0|1,0,0]=3 10179 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [1,1,0,0,0,0|1,0,0]=3 10180 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [1,1,0,0,0,0|1,0,0]=3 10181 B11R0.148 C=CCCCSCCCN(C)C 62a_100011713584_100000757444 [1,1,0,0,0,0|2,0,0]=4 10182 B11R0.148 C=CCCCSCCOC(C)C 62a_100000211751_100000757094 [1,1,0,0,0,0|2,0,0]=4 10183 B11R0.148 C=CCCCSCCOC(C)C 62a_100011713584_100000211751 [1,1,0,0,0,0|2,0,0]=4 10184 B11R0.148 C=CCCCSCCSC(C)C 62a_100000730970_100000757094 [1,1,0,0,0,0|2,0,0]=4 10185 B11R0.148 C=CCCCSCCSC(C)C 62a_100011713584_100000730970 [1,1,0,0,0,0|2,0,0]=4 10186 B11R0.148 C=CCCNCCCCB(O)O 2230a_100015191253_200009817182 [1,1,0,0,0,0|2,0,0]=4 10187 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [1,1,0,0,0,0|1,0,0]=3 10188 B11R0.148 C=CCCNCCCOC(C)C 2230a_100000737246_100000754431 [1,1,0,0,0,0|2,0,0]=4 10189 B11R0.148 C=CCCNCCCOC(C)C 34a_100000737246_100000754431 [1,1,0,0,0,0|2,0,0]=4 10190 B11R0.148 C=CCCOCCCCB(O)O 34a_100011205117_200009817182 [1,1,0,0,0,0|2,0,0]=4 10191 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [1,1,0,0,0,0|1,0,1]=4 10192 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [1,1,0,0,0,0|1,0,0]=3 10193 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [1,1,0,0,0,0|1,0,0]=3 10194 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [1,1,0,0,0,0|1,0,0]=3 10195 B11R0.148 C=CCCOCCCNC(C)C 34a_100000182298_100000754431 [1,1,0,0,0,0|2,0,0]=4 10196 B11R0.148 C=CCCOCCNCC(C)C 34a_100015185251_100000754431 [1,1,0,0,0,0|2,0,0]=4 10197 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [1,1,0,0,0,0|2,0,0]=4 10198 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [1,1,0,0,0,0|2,0,0]=4 10199 B11R0.148 C=CCCOCCSCC(C)C 34a_200000230437_100000754431 [1,1,0,0,0,0|2,0,0]=4 10200 B11R0.148 C=CCCOCCSCC(C)C 7a_200000230437_100000754431 [1,1,0,0,0,0|2,0,0]=4 10201 B11R0.148 C=CCCSCCCCB(O)O 62a_100000754431_200009817182 [1,1,0,0,0,0|2,0,0]=4 10202 B11R0.148 C=CCCSCCCCB(O)O 62a_200009817182_100000754431 [1,1,0,0,0,0|2,0,0]=4 10203 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [1,1,0,0,0,0|1,0,1]=4 10204 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [1,1,0,0,0,0|1,0,1]=4 10205 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [1,1,0,0,0,0|1,0,0]=3 10206 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [1,1,0,0,0,0|1,0,0]=3 10207 B11R0.148 C=CCCSCCCCN(C)C 62a_100000754431_100000690147 [1,1,0,0,0,0|2,0,0]=4 10208 B11R0.148 C=CCNCCCCCB(O)O 2230a_100020586998_200009817188 [1,1,0,0,0,0|2,0,0]=4 10209 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [1,1,0,0,0,0|1,0,0]=3 10210 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [1,1,0,0,0,0|1,0,0]=3 10211 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [1,1,0,0,0,0|1,0,0]=3 10212 B11R0.148 C=CCNCCCOCC(C)C 2230a_100000205972_100000210623 [1,1,0,0,0,0|2,0,0]=4 10213 B11R0.148 C=CCNCCCOCC(C)C 34a_100000205972_100015514636 [1,1,0,0,0,0|2,0,0]=4 10214 B11R0.148 C=CCOCCCCCB(O)O 34a_200000210373_200009817188 [1,1,0,0,0,0|2,0,0]=4 10215 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [1,1,0,0,0,0|1,0,0]=3 10216 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [1,1,0,0,0,0|1,0,0]=3 10217 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [1,1,0,0,0,0|1,0,0]=3 10218 B11R0.148 C=CCOCCCCNC(C)C 34a_100011521146_100015514636 [1,1,0,0,0,0|2,0,0]=4 10219 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [1,1,0,0,0,0|2,0,0]=4 10220 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [1,1,0,0,0,0|2,0,0]=4 10221 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [1,1,0,0,0,0|2,0,0]=4 10222 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [1,1,0,0,0,0|2,0,0]=4 10223 B11R0.148 C=CCSCCCCCB(O)O 62a_100000210623_200009817188 [1,1,0,0,0,0|2,0,0]=4 10224 B11R0.148 C=CCSCCCCCB(O)O 62a_200009817188_100000210623 [1,1,0,0,0,0|2,0,0]=4 10225 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [1,1,0,0,0,0|1,0,0]=3 10226 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [1,1,0,0,0,0|1,0,0]=3 10227 B11R0.148 C=COCCCCOCC(C)C 34a_100000031558_100000210624 [1,1,0,0,0,0|2,0,0]=4 10228 B11R0.148 C=COCCCCOCC(C)C 7a_100000031558_100000210760 [1,1,0,0,0,0|2,0,0]=4 10229 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [1,1,0,0,0,0|2,0,0]=4 10230 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [1,1,0,0,0,0|2,0,0]=4 10231 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [1,1,0,0,0,0|2,0,0]=4 10232 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [1,1,0,0,0,0|2,0,0]=4 10233 B11R0.148 C=COCCCNCCC(C)C 2230a_100000210767_100000210312 [1,1,0,0,0,0|2,0,0]=4 10234 B11R0.148 C=COCCCNCCC(C)C 269862a_100000210767_100000185833 [1,1,0,0,0,0|2,0,0]=4 10235 B11R0.148 C=COCCCNCCC(C)C 34a_100000210767_100000210312 [1,1,0,0,0,0|2,0,0]=4 10236 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [1,1,0,0,0,0|2,0,0]=4 10237 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [1,1,0,0,0,0|2,0,0]=4 10238 B11R0.148 C=COCCNCCCC(C)C 2230a_200000737386_100000039644 [1,1,0,0,0,0|2,0,0]=4 10239 B11R0.148 C=COCCNCCCC(C)C 34a_200000737386_100000039644 [1,1,0,0,0,0|2,0,0]=4 10240 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [1,1,0,0,0,0|2,0,0]=4 10241 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [1,1,0,0,0,0|2,0,0]=4 10242 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [1,1,0,0,0,0|2,0,0]=4 10243 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [1,1,0,0,0,0|2,0,0]=4 10244 B11R0.148 C=COCCSCCCC(C)C 62a_100000039644_100011214892 [1,1,0,0,0,0|2,0,0]=4 10245 B11R0.148 C=COCCSCCCC(C)C 62a_100011214892_100000039644 [1,1,0,0,0,0|2,0,0]=4 10246 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [1,1,0,0,0,0|2,0,0]=4 10247 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [1,1,0,0,0,0|2,0,0]=4 10248 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|0,0,1]=3 10249 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|1,0,1]=4 10250 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|1,0,1]=4 10251 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|1,0,1]=4 10252 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|1,0,1]=4 10253 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|1,0,1]=4 10254 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|1,0,1]=4 10255 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|1,0,1]=4 10256 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|1,0,1]=4 10257 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|1,0,1]=4 10258 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|1,0,1]=4 10259 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|1,0,1]=4 10260 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|1,0,1]=4 10261 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|1,0,1]=4 10262 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|1,0,1]=4 10263 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [1,1,0,0,0,0|1,0,1]=4 10264 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 10265 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 10266 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [1,1,0,0,0,0|2,0,0]=4 10267 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [1,1,0,0,0,0|2,0,0]=4 10268 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 10269 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [1,1,0,0,0,0|1,0,1]=4 10270 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 10271 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [1,1,0,0,0,0|1,0,1]=4 10272 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [1,1,0,0,0,0|2,0,0]=4 10273 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [1,1,0,0,0,0|2,0,0]=4 10274 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 10275 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 10276 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [1,1,0,0,0,0|2,0,0]=4 10277 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [1,1,0,0,0,0|2,0,0]=4 10278 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [1,1,0,0,0,0|1,0,1]=4 10279 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [1,1,0,0,0,0|1,0,1]=4 10280 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [1,1,0,0,0,0|1,0,1]=4 10281 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [1,1,0,0,0,0|1,0,1]=4 10282 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [1,1,0,0,0,0|1,0,1]=4 10283 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [1,1,0,0,0,0|1,0,1]=4 10284 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [1,1,0,0,0,0|2,0,0]=4 10285 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 10286 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [1,1,0,0,0,0|1,0,1]=4 10287 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 10288 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [1,1,0,0,0,0|1,0,1]=4 10289 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [1,1,0,0,0,0|2,0,0]=4 10290 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [1,1,0,0,0,0|1,0,1]=4 10291 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [1,1,0,0,0,0|1,0,1]=4 10292 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [1,1,0,0,0,0|2,0,0]=4 10293 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [1,1,0,0,0,0|2,0,0]=4 10294 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [1,1,0,0,0,0|1,0,1]=4 10295 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [1,1,0,0,0,0|1,0,1]=4 10296 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 10297 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [1,1,0,0,0,0|1,0,1]=4 10298 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 10299 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [1,1,0,0,0,0|2,0,0]=4 10300 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 10301 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 10302 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [1,1,0,0,0,0|2,0,0]=4 10303 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [1,1,0,0,0,0|2,0,0]=4 10304 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [1,1,0,0,0,0|1,0,1]=4 10305 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [1,1,0,0,0,0|1,0,1]=4 10306 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [1,1,0,0,0,0|2,0,0]=4 10307 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 10308 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [1,1,0,0,0,0|1,0,1]=4 10309 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [1,1,0,0,0,0|1,0,1]=4 10310 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 10311 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [1,1,0,0,0,0|1,0,1]=4 10312 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [1,1,0,0,0,0|1,0,1]=4 10313 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [1,1,0,0,0,0|2,0,0]=4 10314 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [1,1,0,0,0,0|2,0,0]=4 10315 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [1,1,0,0,0,0|1,0,1]=4 10316 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [1,1,0,0,0,0|1,0,1]=4 10317 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 10318 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 10319 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 10320 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 10321 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [1,1,0,0,0,0|1,0,1]=4 10322 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [1,1,0,0,0,0|1,0,1]=4 10323 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [1,1,0,0,0,0|1,0,1]=4 10324 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [1,1,0,0,0,0|1,0,1]=4 10325 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 10326 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 10327 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [1,1,0,0,0,0|2,0,0]=4 10328 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 10329 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 10330 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 10331 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 10332 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [1,1,0,0,0,0|2,0,0]=4 10333 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [1,1,0,0,0,0|2,0,0]=4 10334 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [1,1,0,0,0,0|2,0,0]=4 10335 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [1,1,0,0,0,0|2,0,0]=4 10336 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [1,1,0,0,0,0|2,0,0]=4 10337 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [1,1,0,0,0,0|2,0,0]=4 10338 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [1,1,0,0,0,0|1,0,1]=4 10339 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [1,1,0,0,0,0|1,0,1]=4 10340 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [1,1,0,0,0,0|2,0,0]=4 10341 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [1,1,0,0,0,0|2,0,0]=4 10342 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 10343 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [1,1,0,0,0,0|1,0,1]=4 10344 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 10345 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 10346 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 10347 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 10348 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 10349 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 10350 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 10351 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [1,1,0,0,0,0|2,0,0]=4 10352 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [1,1,0,0,0,0|2,0,0]=4 10353 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [1,1,0,0,0,0|2,0,0]=4 10354 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [1,1,0,0,0,0|2,0,0]=4 10355 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [1,1,0,0,0,0|2,0,0]=4 10356 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [1,1,0,0,0,0|1,0,1]=4 10357 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [1,1,0,0,0,0|1,0,1]=4 10358 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [1,1,0,0,0,0|2,0,0]=4 10359 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 10360 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 10361 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 10362 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 10363 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 10364 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 10365 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 10366 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 10367 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 10368 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 10369 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 10370 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 10371 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [1,1,0,0,0,0|2,0,0]=4 10372 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [1,1,0,0,0,0|2,0,0]=4 10373 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [1,1,0,0,0,0|2,0,0]=4 10374 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [1,1,0,0,0,0|2,0,0]=4 10375 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [1,1,0,0,0,0|2,0,0]=4 10376 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [1,1,0,0,0,0|1,0,1]=4 10377 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [1,1,0,0,0,0|1,0,1]=4 10378 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,1]=3 10379 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,1]=3 10380 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,1]=3 10381 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 10382 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,1,0,0,0,0|1,0,1]=4 10383 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 10384 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,1,0,0,0,0|1,0,1]=4 10385 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 10386 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 10387 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 10388 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 10389 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 10390 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,1]=4 10391 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,1,0,0,0,0|2,0,0]=4 10392 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,1,0,0,0,0|2,0,0]=4 10393 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|2,0,0]=4 10394 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|1,0,1]=4 10395 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|1,0,1]=4 10396 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|1,0,1]=4 10397 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|1,0,1]=4 10398 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,1]=4 10399 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|2,0,0]=4 10400 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|2,0,0]=4 10401 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|2,0,0]=4 10402 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 10403 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 10404 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 10405 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 10406 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,1,0,0,0,0|2,0,0]=4 10407 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,1,0,0,0,0|2,0,0]=4 10408 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,1,0,0,0,0|2,0,0]=4 10409 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,1,0,0,0,0|2,0,0]=4 10410 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|1,0,1]=4 10411 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|1,0,1]=4 10412 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|1,0,1]=4 10413 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|1,0,1]=4 10414 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,1,0,0,0,0|2,0,0]=4 10415 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|1,0,1]=4 10416 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|1,0,1]=4 10417 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 10418 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,1]=4 10419 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 10420 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,1,0,0,0,0|2,0,0]=4 10421 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,1,0,0,0,0|2,0,0]=4 10422 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,1,0,0,0,0|2,0,0]=4 10423 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,1,0,0,0,0|2,0,0]=4 10424 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 10425 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 10426 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,1]=4 10427 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,1]=4 10428 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,1,0,0,0,0|2,0,0]=4 10429 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,1,0,0,0,0|2,0,0]=4 10430 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|1,0,1]=4 10431 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|1,0,1]=4 10432 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,1,0,0,0,0|2,0,0]=4 10433 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|1,0,1]=4 10434 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|1,0,1]=4 10435 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|1,0,1]=4 10436 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|1,0,1]=4 10437 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|1,0,1]=4 10438 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|2,0,0]=4 10439 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|2,0,0]=4 10440 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 10441 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 10442 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|1,0,1]=4 10443 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|1,0,1]=4 10444 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,1,0,0,0,0|2,0,0]=4 10445 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,1,0,0,0,0|2,0,0]=4 10446 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|1,0,1]=4 10447 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|1,0,1]=4 10448 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,1]=4 10449 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,1,0,0,0,0|2,0,0]=4 10450 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|1,0,1]=4 10451 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|1,0,1]=4 10452 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|2,0,0]=4 10453 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|2,0,0]=4 10454 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|1,0,1]=4 10455 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|1,0,1]=4 10456 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,1,0,0,0,0|2,0,0]=4 10457 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,1,0,0,0,0|2,0,0]=4 10458 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,1,0,0,0,0|2,0,0]=4 10459 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,1,0,0,0,0|2,0,0]=4 10460 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,1,0,0,0,0|2,0,0]=4 10461 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,1,0,0,0,0|2,0,0]=4 10462 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 10463 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 10464 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 10465 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 10466 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [1,1,0,0,0,0|1,0,1]=4 10467 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|1,0,1]=4 10468 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [1,1,0,0,0,0|1,0,1]=4 10469 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 10470 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 10471 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 10472 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 10473 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 10474 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 10475 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 10476 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 10477 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [1,1,0,0,0,0|2,0,0]=4 10478 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [1,1,0,0,0,0|2,0,0]=4 10479 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [1,1,0,0,0,0|2,0,0]=4 10480 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [1,1,0,0,0,0|2,0,0]=4 10481 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [1,1,0,0,0,0|2,0,0]=4 10482 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [1,1,0,0,0,0|1,0,1]=4 10483 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [1,1,0,0,0,0|1,0,1]=4 10484 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,1,0,0,0,0|2,0,0]=4 10485 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,1,0,0,0,0|2,0,0]=4 10486 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 10487 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 10488 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 10489 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,1,0,0,0,0|2,0,0]=4 10490 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,1,0,0,0,0|2,0,0]=4 10491 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,1,0,0,0,0|2,0,0]=4 10492 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,1,0,0,0,0|2,0,0]=4 10493 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,1,0,0,0,0|2,0,0]=4 10494 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 10495 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 10496 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,1,0,0,0,0|2,0,0]=4 10497 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,1,0,0,0,0|2,0,0]=4 10498 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 10499 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 10500 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 10501 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,1,0,0,0,0|2,0,0]=4 10502 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 10503 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,1,0,0,0,0|2,0,0]=4 10504 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,1,0,0,0,0|2,0,0]=4 10505 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 10506 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,1,0,0,0,0|2,0,0]=4 10507 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,1,0,0,0,0|2,0,0]=4 10508 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|2,0,0]=4 10509 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 10510 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,1,0,0,0,0|2,0,0]=4 10511 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,1,0,0,0,0|2,0,0]=4 10512 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,1,0,0,0,0|2,0,0]=4 10513 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [1,1,0,0,0,0|2,0,0]=4 10514 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [1,1,0,0,0,0|2,0,0]=4 10515 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [1,1,0,0,0,0|2,0,0]=4 10516 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [1,1,0,0,0,0|2,0,0]=4 10517 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [1,1,0,0,0,0|2,0,0]=4 10518 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [1,1,0,0,0,0|2,0,0]=4 10519 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [1,1,0,0,0,0|2,0,0]=4 10520 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011216160_100000184674 [0,2,0,0,0,0|1,0,1]=4 10521 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011220946_100012355270 [0,2,0,0,0,0|1,0,1]=4 10522 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|0,0,2]=4 10523 B13R0.2 C#CCC(C)OCCCCCCC=C 34a_100000685586_100011215473 [0,2,0,0,0,0|1,0,1]=4 10524 B13R0.2 C#CCC(C)OCCCCCCC=C 7a_100000685586_100011215473 [0,2,0,0,0,0|1,0,1]=4 10525 B13R0.2 C#CCC(C)OCCCCCCCO 34a_100000685586_100000760002 [0,2,0,0,0,0|0,0,2]=4 10526 B13R0.2 C#CCC(C)OCCCCCCCO 7a_100000685586_100000760002 [0,2,0,0,0,0|0,0,2]=4 10527 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000087357_100000210623 [0,2,0,0,0,0|1,0,1]=4 10528 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000210193_100153394163 [0,2,0,0,0,0|1,0,1]=4 10529 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 10530 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 10531 B13R0.2 C#CCCCCCCCN(C)CC=C 2230a_100000225617_100153394163 [0,2,0,0,0,0|1,0,1]=4 10532 B13R0.2 C#CCCCCCCCN(C)CC=C 269982a_100000225617_100153394163 [0,2,0,0,0,0|1,0,1]=4 10533 B13R0.2 C#CCCCCCCCN(C)CCO 2230a_100000210263_100153394163 [0,2,0,0,0,0|0,0,2]=4 10534 B13R0.2 C#CCCCCCCCN(C)CCO 269982a_100000210263_100153394163 [0,2,0,0,0,0|0,0,2]=4 10535 B13R0.2 C#CCCCCCCN[C@H](C)CCO 2230a_100000706166_100012276617 [0,2,0,0,0,0|0,0,2]=4 10536 B13R0.2 C#CCCCCCCN[C@H](C)CCO 34a_100000706166_100012276617 [0,2,0,0,0,0|0,0,2]=4 10537 B13R0.2 C#CCCCCCCOC(C)CCO 34a_100011217361_100009893172 [0,2,0,0,0,0|0,0,2]=4 10538 B13R0.2 C#CCCCCCCOC(C)CCO 7a_100011217361_100009893172 [0,2,0,0,0,0|0,0,2]=4 10539 B13R0.2 C#CCCCCCCO[C@H](C)CC=C 34a_100000731007_100012276617 [0,2,0,0,0,0|1,0,1]=4 10540 B13R0.2 C#CCCCCCCO[C@H](C)CC=C 7a_100000731007_100012276617 [0,2,0,0,0,0|1,0,1]=4 10541 B13R0.2 C#CCCCCCCSC(C)CCO 62a_100009893172_100012276617 [0,2,0,0,0,0|0,0,2]=4 10542 B13R0.2 C#CCCCCCCSC(C)CCO 62a_100012276617_100009893172 [0,2,0,0,0,0|0,0,2]=4 10543 B13R0.2 C#CCCCCCOCC(C)CC=C 34a_100009832082_100012094781 [0,2,0,0,0,0|1,0,1]=4 10544 B13R0.2 C#CCCCCCOCC(C)CC=C 7a_100009832082_100012094781 [0,2,0,0,0,0|1,0,1]=4 10545 B13R0.2 C#CCCCCCOC[C@H](N)CC=C 34a_100020615467_100012094781 [0,2,0,0,0,0|1,0,1]=4 10546 B13R0.2 C#CCN(C)CCCCCCCC=C 2230a_100000225692_100012355270 [0,2,0,0,0,0|1,0,1]=4 10547 B13R0.2 C#CCN(C)CCCCCCCC=C 34a_100000225692_100012355270 [0,2,0,0,0,0|1,0,1]=4 10548 B13R0.2 C#CCN(C)CCCCCCCCO 2230a_100000225692_100000033203 [0,2,0,0,0,0|0,0,2]=4 10549 B13R0.2 C#CCN(C)CCCCCCCCO 34a_100000225692_100000033203 [0,2,0,0,0,0|0,0,2]=4 10550 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,2,0,0,0,0|2,0,0]=4 10551 B13R0.2 C/C=C/C(C)OCCCCCCCO 34a_200102604097_100000760002 [0,2,0,0,0,0|1,0,0]=3 10552 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,0]=3 10553 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,0]=3 10554 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|0,0,0]=2 10555 B13R0.2 C=CCC(=O)CCOCCOCCO 1458a_100000210193_100000032323 [0,2,0,0,0,0|1,0,1]=4 10556 B13R0.2 C=CCC(=O)CCOCCOCCO 1458a_100009915118_100000210623 [0,2,0,0,0,0|1,0,1]=4 10557 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 10558 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 10559 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 10560 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 10561 B13R0.2 C=CCC(=O)NCCCCCCCO 240690a_100011996573_100000210193 [0,2,0,0,0,0|0,0,1]=3 10562 B13R0.2 C=CCC(=O)NCCCOCCCO 240690a_100011310245_100000210193 [0,2,0,0,0,0|1,0,1]=4 10563 B13R0.2 C=CCC(C)COCCCCCC#N 7a_100009832082_100009813376 [0,2,0,0,0,0|1,0,1]=4 10564 B13R0.2 C=CCC(C)COCCCCCC=O 7a_100009832082_100000139337 [0,2,0,0,0,0|0,0,2]=4 10565 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,2,0,0,0,0|1,0,0]=3 10566 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,2,0,0,0,0|1,0,0]=3 10567 B13R0.2 C=CCC(C)COCCCCCCF 34a_100009832082_100015922095 [0,2,0,0,0,0|1,0,0]=3 10568 B13R0.2 C=CCC(C)COCCCCCCF 7a_100009832082_100015922095 [0,2,0,0,0,0|1,0,0]=3 10569 B13R0.2 C=CCC(C)COCCCCCCO 34a_100009832082_100000766143 [0,2,0,0,0,0|0,0,0]=2 10570 B13R0.2 C=CCC(C)COCCCCCCO 7a_100009832082_100000766143 [0,2,0,0,0,0|0,0,0]=2 10571 B13R0.2 C=CCC(C)COCCOCCCC 34a_100009832082_100000743108 [0,2,0,0,0,0|2,0,0]=4 10572 B13R0.2 C=CCC(C)COCCOCCCC 7a_100009832082_100000743108 [0,2,0,0,0,0|2,0,0]=4 10573 B13R0.2 C=CCC(C)COCCOCCOC 34a_100009832082_100000695917 [0,2,0,0,0,0|2,0,0]=4 10574 B13R0.2 C=CCC(C)COCCOCCOC 7a_100009832082_100000695917 [0,2,0,0,0,0|2,0,0]=4 10575 B13R0.2 C=CCCC/C=C/COC(C)CCO 34a_200016268473_100009893172 [0,2,0,0,0,0|0,0,2]=4 10576 B13R0.2 C=CCCC/C=C/COC(C)CCO 7a_200016268473_100009893172 [0,2,0,0,0,0|0,0,2]=4 10577 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100011216160_100011214920 [0,2,0,0,0,0|1,0,1]=4 10578 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100051588842_100012355270 [0,2,0,0,0,0|1,0,1]=4 10579 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100000210193_100012355270 [0,2,0,0,0,0|1,0,1]=4 10580 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100011216160_100000210623 [0,2,0,0,0,0|1,0,1]=4 10581 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,0]=3 10582 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,0]=3 10583 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|1,0,0]=3 10584 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,0]=2 10585 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,0]=2 10586 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|0,0,1]=3 10587 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|0,1,1]=4 10588 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 10589 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 10590 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 10591 B13R0.2 C=CCCCCCCCN(C)CC#N 2230a_100000748184_100012355270 [0,2,0,0,0,0|1,0,1]=4 10592 B13R0.2 C=CCCCCCCCN(C)CC=C 2230a_100000225617_100012355270 [0,2,0,0,0,0|1,0,1]=4 10593 B13R0.2 C=CCCCCCCCN(C)CC=C 269982a_100000225617_100012355270 [0,2,0,0,0,0|1,0,1]=4 10594 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,2,0,0,0,0|1,0,0]=3 10595 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,2,0,0,0,0|1,0,0]=3 10596 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,2,0,0,0,0|0,0,0]=2 10597 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,2,0,0,0,0|0,0,0]=2 10598 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,2,0,0,0,0|1,0,0]=3 10599 B13R0.2 C=CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011215473 [0,2,0,0,0,0|1,0,1]=4 10600 B13R0.2 C=CCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215473 [0,2,0,0,0,0|0,0,0]=2 10601 B13R0.2 C=CCCCCCCN[C@H](C)CCO 34a_100000706166_100011215473 [0,2,0,0,0,0|0,0,0]=2 10602 B13R0.2 C=CCCCCCCN[C@H](C)COC 2230a_100000764878_100011215473 [0,2,0,0,0,0|1,0,0]=3 10603 B13R0.2 C=CCCCCCCOC(C)CC#N 7a_200011216477_100009813641 [0,2,0,0,0,0|1,0,1]=4 10604 B13R0.2 C=CCCCCCCOC(C)CCBr 34a_100012276601_100011215473 [0,2,0,0,0,0|1,0,0]=3 10605 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,2,0,0,0,0|1,0,0]=3 10606 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,2,0,0,0,0|1,0,0]=3 10607 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,2,0,0,0,0|1,0,0]=3 10608 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,2,0,0,0,0|1,0,0]=3 10609 B13R0.2 C=CCCCCCCOC(C)CCO 34a_200011216477_100009893172 [0,2,0,0,0,0|0,0,0]=2 10610 B13R0.2 C=CCCCCCCOC(C)CCO 7a_200011216477_100009893172 [0,2,0,0,0,0|0,0,0]=2 10611 B13R0.2 C=CCCCCCCOC(C)COC 34a_200011216477_100000765312 [0,2,0,0,0,0|1,0,0]=3 10612 B13R0.2 C=CCCCCCCOC(C)COC 7a_200011216477_100000765312 [0,2,0,0,0,0|1,0,0]=3 10613 B13R0.2 C=CCCCCCCO[C@H](C)CC=C 34a_100000731007_100011215473 [0,2,0,0,0,0|1,0,1]=4 10614 B13R0.2 C=CCCCCCCO[C@H](C)CC=C 7a_100000731007_100011215473 [0,2,0,0,0,0|1,0,1]=4 10615 B13R0.2 C=CCCCCCCO[C@H](C)COC 34a_100011934205_100011215473 [0,2,0,0,0,0|1,0,0]=3 10616 B13R0.2 C=CCCCCCCSC(C)CC#N 62a_100009813641_100011215473 [0,2,0,0,0,0|1,0,1]=4 10617 B13R0.2 C=CCCCCCCSC(C)CC#N 62a_100011215473_100009813641 [0,2,0,0,0,0|1,0,1]=4 10618 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [0,2,0,0,0,0|1,0,0]=3 10619 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [0,2,0,0,0,0|1,0,0]=3 10620 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100009893172_100011215473 [0,2,0,0,0,0|0,0,0]=2 10621 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100011215473_100009893172 [0,2,0,0,0,0|0,0,0]=2 10622 B13R0.2 C=CCCCCCCSC(C)COC 62a_100000765312_100011215473 [0,2,0,0,0,0|1,0,0]=3 10623 B13R0.2 C=CCCCCCCSC(C)COC 62a_100011215473_100000765312 [0,2,0,0,0,0|1,0,0]=3 10624 B13R0.2 C=CCCCCCNCC(O)COC 2230a_100000756049_100000700193 [0,2,0,0,0,0|1,0,0]=3 10625 B13R0.2 C=CCCCCCNCC(O)COC 34a_100000756049_100000700193 [0,2,0,0,0,0|1,0,0]=3 10626 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,2,0,0,0,0|1,0,1]=4 10627 B13R0.2 C=CCCCCCOCC(=O)NCO 34a_100011216702_100000185155 [0,2,0,0,0,0|1,0,1]=4 10628 B13R0.2 C=CCCCCCOCC(=O)NCO 7a_100011216702_100000185155 [0,2,0,0,0,0|1,0,1]=4 10629 B13R0.2 C=CCCCCCOCC(C)CC=C 34a_100009832082_100000700193 [0,2,0,0,0,0|1,0,1]=4 10630 B13R0.2 C=CCCCCCOCC(C)CC=C 7a_100009832082_100000700193 [0,2,0,0,0,0|1,0,1]=4 10631 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,2,0,0,0,0|1,0,0]=3 10632 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,2,0,0,0,0|1,0,0]=3 10633 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,2,0,0,0,0|1,0,0]=3 10634 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,2,0,0,0,0|1,0,0]=3 10635 B13R0.2 C=CCCCCCOCC(C)CCN 34a_106354213184_100000700193 [0,2,0,0,0,0|1,0,0]=3 10636 B13R0.2 C=CCCCCCOCC(N)COC 34a_100000724102_100000700193 [0,2,0,0,0,0|1,0,0]=3 10637 B13R0.2 C=CCCCCCOCC(O)COC 34a_100011216702_100011215053 [0,2,0,0,0,0|1,0,0]=3 10638 B13R0.2 C=CCCCCCOCC(O)COC 7a_100011216702_100011215053 [0,2,0,0,0,0|1,0,0]=3 10639 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|1,0,0]=3 10640 B13R0.2 C=CCCCCCOC[C@@H](O)CC#N 7a_100011216702_100000001066 [0,2,0,0,0,0|1,0,1]=4 10641 B13R0.2 C=CCCCCCOC[C@H](N)CC=C 34a_100020615467_100000700193 [0,2,0,0,0,0|1,0,1]=4 10642 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,2,0,0,0,0|1,0,1]=4 10643 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,2,0,0,0,0|1,0,1]=4 10644 B13R0.2 C=CCCCCCSCC(=O)NCO 62a_100000185155_100000700193 [0,2,0,0,0,0|1,0,1]=4 10645 B13R0.2 C=CCCCCCSCC(=O)NCO 62a_100000700193_100000185155 [0,2,0,0,0,0|1,0,1]=4 10646 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,2,0,0,0,0|1,0,0]=3 10647 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,2,0,0,0,0|1,0,0]=3 10648 B13R0.2 C=CCCCCCSCC(O)COC 62a_100000700193_100011215053 [0,2,0,0,0,0|1,0,0]=3 10649 B13R0.2 C=CCCCCCSCC(O)COC 62a_100011215053_100000700193 [0,2,0,0,0,0|1,0,0]=3 10650 B13R0.2 C=CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000700193 [0,2,0,0,0,0|1,0,1]=4 10651 B13R0.2 C=CCCCCCSC[C@@H](O)CC#N 62a_100000700193_100000001066 [0,2,0,0,0,0|1,0,1]=4 10652 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,2,0,0,0,0|1,0,0]=3 10653 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,2,0,0,0,0|1,0,0]=3 10654 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,2,0,0,0,0|1,0,0]=3 10655 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,2,0,0,0,0|1,0,0]=3 10656 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,2,0,0,0,0|1,0,0]=3 10657 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,2,0,0,0,0|1,0,0]=3 10658 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,2,0,0,0,0|1,0,0]=3 10659 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,2,0,0,0,0|1,0,0]=3 10660 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,2,0,0,0,0|1,0,0]=3 10661 B13R0.2 C=CCN(C)CCCCCCCCO 2230a_100000225617_100000033203 [0,2,0,0,0,0|0,0,0]=2 10662 B13R0.2 C=CCN(C)CCCCCCCCO 269982a_100000225617_100000033203 [0,2,0,0,0,0|0,0,0]=2 10663 B13R0.2 C=CCN(C)CCOCCOCCO 2230a_100000225617_100000032323 [0,2,0,0,0,0|2,0,0]=4 10664 B13R0.2 C=CCN(C)CCOCCOCCO 2230a_200014138305_100000210623 [0,2,0,0,0,0|2,0,0]=4 10665 B13R0.2 C=CCN(C)CCOCCOCCO 269982a_100000225617_100000032323 [0,2,0,0,0,0|2,0,0]=4 10666 B13R0.2 C=CCN(C)CCOCCOCCO 269982a_200014138305_100000210623 [0,2,0,0,0,0|2,0,0]=4 10667 B13R0.2 C=CCN(C)CCOCCOCCO 34a_200014138305_100015514636 [0,2,0,0,0,0|2,0,0]=4 10668 B13R0.2 C=CC[C@@H](C)OCCCCCCC#N 7a_100000731007_100009813337 [0,2,0,0,0,0|1,0,1]=4 10669 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,2,0,0,0,0|1,0,0]=3 10670 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,2,0,0,0,0|1,0,0]=3 10671 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 34a_100000731007_100000760002 [0,2,0,0,0,0|0,0,0]=2 10672 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 7a_100000731007_100000760002 [0,2,0,0,0,0|0,0,0]=2 10673 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 34a_100000731007_100011998445 [0,2,0,0,0,0|1,0,0]=3 10674 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 7a_100000731007_100011998445 [0,2,0,0,0,0|1,0,0]=3 10675 B13R0.2 C=CC[C@@H](C)OCCCOCCOC 34a_100000731007_100011216529 [0,2,0,0,0,0|2,0,0]=4 10676 B13R0.2 C=CC[C@@H](C)OCCCOCCOC 7a_100000731007_100011216529 [0,2,0,0,0,0|2,0,0]=4 10677 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,2,0,0,0,0|1,0,0]=3 10678 B13R0.2 C=CC[C@@H](N)COCCCCCCF 34a_100020615467_100015922095 [0,2,0,0,0,0|1,0,0]=3 10679 B13R0.2 C=CC[C@@H](N)COCCCCCCO 34a_100020615467_100000766143 [0,2,0,0,0,0|0,0,0]=2 10680 B13R0.2 C=CC[C@@H](N)COCCOCCCC 34a_100020615467_100000743108 [0,2,0,0,0,0|2,0,0]=4 10681 B13R0.2 C=CC[C@@H](N)COCCOCCOC 34a_100020615467_100000695917 [0,2,0,0,0,0|2,0,0]=4 10682 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,2,0,0,0,0|1,0,1]=4 10683 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,2,0,0,0,0|1,0,1]=4 10684 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,2,0,0,0,0|1,0,1]=4 10685 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,2,0,0,0,0|1,0,1]=4 10686 B13R0.2 C=COCCCCOCC(C)CCC 34a_100000031558_100011216630 [0,2,0,0,0,0|2,0,0]=4 10687 B13R0.2 C=COCCCCOCC(C)CCC 7a_100000031558_100011216630 [0,2,0,0,0,0|2,0,0]=4 10688 B13R0.2 C=COCCCCOCC(O)COC 34a_100000031558_100011215053 [0,2,0,0,0,0|2,0,0]=4 10689 B13R0.2 C=COCCCCOCC(O)COC 7a_100000031558_100011215053 [0,2,0,0,0,0|2,0,0]=4 10690 B13R0.2 C=COCCOCCCC(C)CCC 34a_100011713154_100000039644 [0,2,0,0,0,0|2,0,0]=4 10691 B13R0.2 C=COCCOCCCC(C)CCC 7a_100011713154_100000039644 [0,2,0,0,0,0|2,0,0]=4 10692 B13R0.2 C=COCCOCCOC(C)CCO 34a_100000039918_100009893172 [0,2,0,0,0,0|2,0,0]=4 10693 B13R0.2 C=COCCOCCOC(C)CCO 7a_100000039918_100009893172 [0,2,0,0,0,0|2,0,0]=4 10694 B13R0.2 CC(CC#N)NCCCCCCCO 2230a_100011996573_100009813641 [0,2,0,0,0,0|1,0,1]=4 10695 B13R0.2 CC(CC#N)SCCCCCCCO 62a_100000760002_100009813641 [0,2,0,0,0,0|1,0,1]=4 10696 B13R0.2 CC(CC#N)SCCCCCCCO 62a_100009813641_100000760002 [0,2,0,0,0,0|1,0,1]=4 10697 B13R0.2 CC(CCBr)OCCCCCCCO 34a_100012276601_100000760002 [0,2,0,0,0,0|1,0,1]=4 10698 B13R0.2 CC(CCN)COCCCCCCO 34a_106354213184_100000766143 [0,2,0,0,0,0|1,0,1]=4 10699 B13R0.2 CC(CCO)NCCCCCCCO 2230a_100011996573_100009893172 [0,2,0,0,0,0|1,0,1]=4 10700 B13R0.2 CC(CCO)NCCCCCCCO 34a_100011996573_100009893172 [0,2,0,0,0,0|1,0,1]=4 10701 B13R0.2 CC(CCO)OCCCCCCCBr 34a_100000760002_100009893172 [0,2,0,0,0,0|1,0,1]=4 10702 B13R0.2 CC(CCO)OCCCCCCCBr 7a_100000760002_100009893172 [0,2,0,0,0,0|1,0,1]=4 10703 B13R0.2 CC(CCO)OCCCCCCCN 34a_100011996573_100009893172 [0,2,0,0,0,0|1,0,1]=4 10704 B13R0.2 CC(CCO)SCCCCCCC#N 62a_100009813337_100009893172 [0,2,0,0,0,0|1,0,1]=4 10705 B13R0.2 CC(CCO)SCCCCCCC#N 62a_100009893172_100009813337 [0,2,0,0,0,0|1,0,1]=4 10706 B13R0.2 CC(CCO)SCCCCCCCO 62a_100000760002_100009893172 [0,2,0,0,0,0|1,0,1]=4 10707 B13R0.2 CC(CCO)SCCCCCCCO 62a_100009893172_100000760002 [0,2,0,0,0,0|1,0,1]=4 10708 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,1]=4 10709 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|0,0,1]=3 10710 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,2,0,0,0,0|1,0,1]=4 10711 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|0,0,2]=4 10712 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,2,0,0,0,0|2,0,0]=4 10713 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [0,2,0,0,0,0|0,0,2]=4 10714 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [0,2,0,0,0,0|0,0,2]=4 10715 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,2,0,0,0,0|2,0,0]=4 10716 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 10717 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 10718 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 10719 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [0,2,0,0,0,0|0,0,2]=4 10720 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 10721 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,2,0,0,0,0|2,0,0]=4 10722 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 10723 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 10724 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,2,0,0,0,0|2,0,0]=4 10725 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,2,0,0,0,0|2,0,0]=4 10726 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [0,2,0,0,0,0|0,0,2]=4 10727 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [0,2,0,0,0,0|0,0,2]=4 10728 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,2,0,0,0,0|0,0,2]=4 10729 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 10730 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,2,0,0,0,0|0,0,2]=4 10731 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 10732 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 10733 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 10734 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,2,0,0,0,0|0,0,2]=4 10735 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,2,0,0,0,0|0,0,2]=4 10736 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,1]=4 10737 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,1]=4 10738 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,1]=4 10739 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,2]=4 10740 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,2]=4 10741 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 10742 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 10743 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|0,0,2]=4 10744 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 10745 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|0,0,2]=4 10746 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 10747 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 10748 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 10749 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 10750 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 10751 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 10752 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 10753 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,2,0,0,0,0|0,0,2]=4 10754 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,2,0,0,0,0|0,0,2]=4 10755 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 10756 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 10757 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [0,2,0,0,0,0|0,0,2]=4 10758 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [0,2,0,0,0,0|0,0,2]=4 10759 B13R0.2 CN(CC#N)CCCCCCCCO 2230a_100000748184_100000033203 [0,2,0,0,0,0|1,0,1]=4 10760 B13R0.2 CN(CCO)CCCCCCCCO 2230a_100000210263_100000033203 [0,2,0,0,0,0|1,0,1]=4 10761 B13R0.2 CN(CCO)CCCCCCCCO 269982a_100000210263_100000033203 [0,2,0,0,0,0|1,0,1]=4 10762 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|1,0,1]=4 10763 B13R0.2 COCC(C)NCCCCCCCO 2230a_100011996573_100000765312 [0,2,0,0,0,0|1,0,1]=4 10764 B13R0.2 COCC(C)NCCCCCCCO 270004a_100011996573_100000749346 [0,2,0,0,0,0|1,0,1]=4 10765 B13R0.2 COCC(C)NCCCCCCCO 34a_100011996573_100000765312 [0,2,0,0,0,0|1,0,1]=4 10766 B13R0.2 COCC(C)SCCCCCCCO 62a_100000760002_100000765312 [0,2,0,0,0,0|1,0,1]=4 10767 B13R0.2 COCC(C)SCCCCCCCO 62a_100000765312_100000760002 [0,2,0,0,0,0|1,0,1]=4 10768 B13R0.2 COCC(N)COCCCCCCO 34a_100000724102_100000766143 [0,2,0,0,0,0|1,0,1]=4 10769 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [0,2,0,0,0,0|2,0,0]=4 10770 B13R0.2 COCC(O)CNCCCCCCO 2230a_100000756049_100000766143 [0,2,0,0,0,0|1,0,1]=4 10771 B13R0.2 COCC(O)CNCCCCCCO 34a_100000686447_100011215053 [0,2,0,0,0,0|1,0,1]=4 10772 B13R0.2 COCC(O)CNCCCCCCO 34a_100000756049_100000766143 [0,2,0,0,0,0|1,0,1]=4 10773 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [0,2,0,0,0,0|2,0,0]=4 10774 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [0,2,0,0,0,0|2,0,0]=4 10775 B13R0.2 COCC(O)CSCCCCCCO 62a_100000766143_100011215053 [0,2,0,0,0,0|1,0,1]=4 10776 B13R0.2 COCC(O)CSCCCCCCO 62a_100011215053_100000766143 [0,2,0,0,0,0|1,0,1]=4 10777 B13R0.2 COCCCCCCN[C@H](C)CCO 2230a_100000706166_100011998445 [0,2,0,0,0,0|1,0,1]=4 10778 B13R0.2 COCCCCCCN[C@H](C)CCO 34a_100000706166_100011998445 [0,2,0,0,0,0|1,0,1]=4 10779 B13R0.2 COCCCCCCOC(C)CCO 34a_200012092642_100009893172 [0,2,0,0,0,0|1,0,1]=4 10780 B13R0.2 COCCCCCCOC(C)CCO 7a_200012092642_100009893172 [0,2,0,0,0,0|1,0,1]=4 10781 B13R0.2 COCCCCCCSC(C)CCO 62a_100009893172_100011998445 [0,2,0,0,0,0|1,0,1]=4 10782 B13R0.2 COCCCCCCSC(C)CCO 62a_100011998445_100009893172 [0,2,0,0,0,0|1,0,1]=4 10783 B13R0.2 COC[C@@H](C)NCCCCCCCO 2230a_100000764878_100000760002 [0,2,0,0,0,0|1,0,1]=4 10784 B13R0.2 COC[C@@H](C)OCCCCCCCO 34a_100011934205_100000760002 [0,2,0,0,0,0|1,0,1]=4 10785 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|1,0,1]=4 10786 B13R0.2 CSCC(C)NCCCCCCCO 270004a_100011996573_100011216314 [0,2,0,0,0,0|1,0,1]=4 10787 B13R0.2 C[C@@H](CC#N)NCCCCCCCO 2230a_100016994482_100000760002 [0,2,0,0,0,0|1,0,1]=4 10788 B13R0.2 C[C@H](CCO)NCCCCCCC#N 2230a_100000706166_100009813337 [0,2,0,0,0,0|1,0,1]=4 10789 B13R0.2 C[C@H](CCO)NCCCCCCCO 2230a_100000706166_100000760002 [0,2,0,0,0,0|1,0,1]=4 10790 B13R0.2 C[C@H](CCO)NCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|1,0,1]=4 10791 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|1,0,1]=4 10792 B13R0.2 N#CC[C@H](O)CNCCCCCCO 2230a_100000686447_100000001066 [0,2,0,0,0,0|1,0,1]=4 10793 B13R0.2 N#CC[C@H](O)CSCCCCCCO 62a_100000001066_100000766143 [0,2,0,0,0,0|1,0,1]=4 10794 B13R0.2 N#CC[C@H](O)CSCCCCCCO 62a_100000766143_100000001066 [0,2,0,0,0,0|1,0,1]=4 10795 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,2,0,0,0,0|0,0,1]=3 10796 B13R0.2 O=C(C=CBr)NCCCCCCCO 240690a_100011996573_100016273825 [0,2,0,0,0,0|1,0,1]=4 10797 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,2,0,0,0,0|0,0,1]=3 10798 B13R0.2 O=C(C=CCl)NCCCCCCCO 240690a_100011996573_200016279998 [0,2,0,0,0,0|1,0,1]=4 10799 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,2,0,0,0,0|0,0,1]=3 10800 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|1,0,1]=4 10801 B13R0.66 C#CCCC(=O)CCCCCCC=C 1458a_100000692101_100011215473 [0,2,0,0,0,0|1,0,1]=4 10802 B13R0.66 C#CCCC(=O)CCCCCCC=C 1458a_100011809334_100000753159 [0,2,0,0,0,0|1,0,1]=4 10803 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [0,2,0,0,0,0|0,0,2]=4 10804 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [0,2,0,0,0,0|0,0,2]=4 10805 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000034748_100000754431 [0,2,0,0,0,0|1,0,1]=4 10806 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000749702_100012276617 [0,2,0,0,0,0|1,0,1]=4 10807 B13R0.66 C#CCCCCCCC(=O)CCCO 1458a_100000034748_100011215043 [0,2,0,0,0,0|0,0,2]=4 10808 B13R0.66 C#CCCCCCCN(C)CCC=C 2230a_100020639649_100012276617 [0,2,0,0,0,0|1,0,1]=4 10809 B13R0.66 C#CCCCCCCN(C)CCC=C 269982a_100020639649_100012276617 [0,2,0,0,0,0|1,0,1]=4 10810 B13R0.66 C#CCCCCCCN(C)CCCO 2230a_100000213112_100012276617 [0,2,0,0,0,0|0,0,2]=4 10811 B13R0.66 C#CCCCCCCN(C)CCCO 269982a_100000213112_100012276617 [0,2,0,0,0,0|0,0,2]=4 10812 B13R0.66 C#CCCCCCOC(C)CCC=C 34a_100000765329_100012094781 [0,2,0,0,0,0|1,0,1]=4 10813 B13R0.66 C#CCCCCCOC(C)CCC=C 7a_100000765329_100012094781 [0,2,0,0,0,0|1,0,1]=4 10814 B13R0.66 C#CCCCCNC[C@H](C)CCCO 2230a_100160569302_100010269958 [0,2,0,0,0,0|0,0,2]=4 10815 B13R0.66 C#CCCCCNC[C@H](C)CCCO 34a_100160569302_100010269958 [0,2,0,0,0,0|0,0,2]=4 10816 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,2,0,0,0,0|1,0,1]=4 10817 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [0,2,0,0,0,0|0,0,1]=3 10818 B13R0.66 C/C=C/CN(C)CCCCCCCC 269982a_100000207567_100102629194 [0,2,0,0,0,0|2,0,0]=4 10819 B13R0.66 C=CC=CC(=O)CCCCCCCO 1458a_100016291481_100000760002 [0,2,0,0,0,0|0,0,2]=4 10820 B13R0.66 C=CCCC(=O)CCCCCCC#N 1458a_100000749702_100009813337 [0,2,0,0,0,0|1,0,1]=4 10821 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,0]=3 10822 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,0]=3 10823 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|0,0,0]=2 10824 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|0,0,0]=2 10825 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|0,0,1]=3 10826 B13R0.66 C=CCCC(=O)CCCOCCOC 1458a_100000749702_100011216529 [0,2,0,0,0,0|1,0,1]=4 10827 B13R0.66 C=CCCC(=O)COCCOCCO 1458a_106645077154_100000754431 [0,2,0,0,0,0|1,0,1]=4 10828 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 10829 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 10830 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 10831 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 10832 B13R0.66 C=CCCC(=O)NCCCCCCO 240690a_100000686447_100000749702 [0,2,0,0,0,0|0,0,1]=3 10833 B13R0.66 C=CCCC(=O)NCCCCCCO 527a_100000686447_100000749702 [0,2,0,0,0,0|0,0,1]=3 10834 B13R0.66 C=CCCC(=O)NCCCCCOC 11a_100000747528_100000749702 [0,2,0,0,0,0|1,0,1]=4 10835 B13R0.66 C=CCCC(=O)NCCCCCOC 1626a_100000747528_100000749702 [0,2,0,0,0,0|1,0,1]=4 10836 B13R0.66 C=CCCC(=O)NCCCCCOC 240690a_100000747528_100000749702 [0,2,0,0,0,0|1,0,1]=4 10837 B13R0.66 C=CCCC(=O)NCCCCCOC 527a_100000747528_100000749702 [0,2,0,0,0,0|1,0,1]=4 10838 B13R0.66 C=CCCC(C)NCCCCCC#N 270004a_100000061152_100000762624 [0,2,0,0,0,0|1,0,1]=4 10839 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,2,0,0,0,0|1,0,0]=3 10840 B13R0.66 C=CCCC(C)NCCCCCCO 270004a_100000686447_100000762624 [0,2,0,0,0,0|0,0,0]=2 10841 B13R0.66 C=CCCC(C)NCCCCCOC 270004a_100000747528_100000762624 [0,2,0,0,0,0|1,0,0]=3 10842 B13R0.66 C=CCCC(C)NCCCOCCC 270004a_100011217757_100000762624 [0,2,0,0,0,0|2,0,0]=4 10843 B13R0.66 C=CCCC(C)NCCOCCOC 270004a_100000745349_100000762624 [0,2,0,0,0,0|2,0,0]=4 10844 B13R0.66 C=CCCC(C)NCCSCCCC 270004a_100025743550_100000762624 [0,2,0,0,0,0|2,0,0]=4 10845 B13R0.66 C=CCCC(C)OCCCCCC#N 7a_100000765329_100009813376 [0,2,0,0,0,0|1,0,1]=4 10846 B13R0.66 C=CCCC(C)OCCCCCC=O 7a_100000765329_100000139337 [0,2,0,0,0,0|0,0,2]=4 10847 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,2,0,0,0,0|1,0,0]=3 10848 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,2,0,0,0,0|1,0,0]=3 10849 B13R0.66 C=CCCC(C)OCCCCCCF 34a_100000765329_100015922095 [0,2,0,0,0,0|1,0,0]=3 10850 B13R0.66 C=CCCC(C)OCCCCCCF 7a_100000765329_100015922095 [0,2,0,0,0,0|1,0,0]=3 10851 B13R0.66 C=CCCC(C)OCCCCCCO 34a_100000765329_100000766143 [0,2,0,0,0,0|0,0,0]=2 10852 B13R0.66 C=CCCC(C)OCCCCCCO 7a_100000765329_100000766143 [0,2,0,0,0,0|0,0,0]=2 10853 B13R0.66 C=CCCC(C)OCCOCCCC 34a_100000765329_100000743108 [0,2,0,0,0,0|2,0,0]=4 10854 B13R0.66 C=CCCC(C)OCCOCCCC 7a_100000765329_100000743108 [0,2,0,0,0,0|2,0,0]=4 10855 B13R0.66 C=CCCC(C)OCCOCCOC 34a_100000765329_100000695917 [0,2,0,0,0,0|2,0,0]=4 10856 B13R0.66 C=CCCC(C)OCCOCCOC 7a_100000765329_100000695917 [0,2,0,0,0,0|2,0,0]=4 10857 B13R0.66 C=CCCCCCCC(=O)C#CCO 1458a_100000049017_100011215473 [0,2,0,0,0,0|0,0,2]=4 10858 B13R0.66 C=CCCCCCCC(=O)CCC#N 1458a_100011809334_100011215226 [0,2,0,0,0,0|1,0,1]=4 10859 B13R0.66 C=CCCCCCCC(=O)CCC#N 1458a_100011934036_100011215473 [0,2,0,0,0,0|1,0,1]=4 10860 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100000749702_100011215473 [0,2,0,0,0,0|1,0,1]=4 10861 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100011809334_100000754431 [0,2,0,0,0,0|1,0,1]=4 10862 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,2,0,0,0,0|1,0,0]=3 10863 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,2,0,0,0,0|1,0,0]=3 10864 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,2,0,0,0,0|1,0,0]=3 10865 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,2,0,0,0,0|0,0,0]=2 10866 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,2,0,0,0,0|0,0,1]=3 10867 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,2,0,0,0,0|0,0,1]=3 10868 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,2,0,0,0,0|0,1,1]=4 10869 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,2,0,0,0,0|0,1,1]=4 10870 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,2,0,0,0,0|1,0,1]=4 10871 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [0,2,0,0,0,0|1,0,1]=4 10872 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 10873 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 10874 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 10875 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 10876 B13R0.66 C=CCCCCCCC(=O)NCCF 11a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 10877 B13R0.66 C=CCCCCCCC(=O)NCCF 1626a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 10878 B13R0.66 C=CCCCCCCC(=O)NCCF 240690a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 10879 B13R0.66 C=CCCCCCCC(=O)NCCF 527a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 10880 B13R0.66 C=CCCCCCCC(=O)NCCO 240690a_100000210304_100011809334 [0,2,0,0,0,0|0,0,1]=3 10881 B13R0.66 C=CCCCCCCC(=O)NCCO 527a_100000210304_100011809334 [0,2,0,0,0,0|0,0,1]=3 10882 B13R0.66 C=CCCCCCCN(C)CCC#N 2230a_100000184479_100011215473 [0,2,0,0,0,0|1,0,1]=4 10883 B13R0.66 C=CCCCCCCN(C)CCC=C 2230a_100020639649_100011215473 [0,2,0,0,0,0|1,0,1]=4 10884 B13R0.66 C=CCCCCCCN(C)CCC=C 269982a_100020639649_100011215473 [0,2,0,0,0,0|1,0,1]=4 10885 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,2,0,0,0,0|1,0,0]=3 10886 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,2,0,0,0,0|1,0,0]=3 10887 B13R0.66 C=CCCCCCCN(C)CCCO 2230a_100000213112_100011215473 [0,2,0,0,0,0|0,0,0]=2 10888 B13R0.66 C=CCCCCCCN(C)CCCO 269982a_100000213112_100011215473 [0,2,0,0,0,0|0,0,0]=2 10889 B13R0.66 C=CCCCCCCN(C)CCOC 2230a_100000743101_100011215473 [0,2,0,0,0,0|1,0,0]=3 10890 B13R0.66 C=CCCCCCCN(C)CCOC 269982a_100000743101_100011215473 [0,2,0,0,0,0|1,0,0]=3 10891 B13R0.66 C=CCCCCCCN(C)CCSC 2230a_100000686725_100011215473 [0,2,0,0,0,0|1,1,0]=4 10892 B13R0.66 C=CCCCCCCN(C)CCSC 269982a_100000686725_100011215473 [0,2,0,0,0,0|1,1,0]=4 10893 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,2,0,0,0,0|1,0,0]=3 10894 B13R0.66 C=CCCCCCOC(C)CCC=C 34a_100000765329_100000700193 [0,2,0,0,0,0|1,0,1]=4 10895 B13R0.66 C=CCCCCCOC(C)CCC=C 7a_100000765329_100000700193 [0,2,0,0,0,0|1,0,1]=4 10896 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,2,0,0,0,0|1,0,0]=3 10897 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,2,0,0,0,0|1,0,0]=3 10898 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,2,0,0,0,0|1,0,0]=3 10899 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,2,0,0,0,0|1,0,0]=3 10900 B13R0.66 C=CCCCCCOC(C)CCCCl 34a_200000718107_100000700193 [0,2,0,0,0,0|1,0,0]=3 10901 B13R0.66 C=CCCCCCOC(C)CCCCl 7a_200000718107_100000700193 [0,2,0,0,0,0|1,0,0]=3 10902 B13R0.66 C=CCCCCCOC(C)COCC 34a_100000718985_100000700193 [0,2,0,0,0,0|2,0,0]=4 10903 B13R0.66 C=CCCCCCOC(C)COCC 7a_100000718985_100000700193 [0,2,0,0,0,0|2,0,0]=4 10904 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [0,2,0,0,0,0|1,0,0]=3 10905 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [0,2,0,0,0,0|1,0,0]=3 10906 B13R0.66 C=CCCCCNCC(C)OCCC 2230a_100015185124_100011215482 [0,2,0,0,0,0|2,0,0]=4 10907 B13R0.66 C=CCCCCNCC(C)OCCC 34a_100015185124_100011215482 [0,2,0,0,0,0|2,0,0]=4 10908 B13R0.66 C=CCCCCNCC(O)COCC 2230a_102515437182_100011215482 [0,2,0,0,0,0|2,0,0]=4 10909 B13R0.66 C=CCCCCNCC(O)COCC 34a_102515437182_100011215482 [0,2,0,0,0,0|2,0,0]=4 10910 B13R0.66 C=CCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215482 [0,2,0,0,0,0|0,0,0]=2 10911 B13R0.66 C=CCCCCNC[C@H](C)CCCO 34a_100160569302_100011215482 [0,2,0,0,0,0|0,0,0]=2 10912 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,2,0,0,0,0|1,0,0]=3 10913 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,2,0,0,0,0|1,0,0]=3 10914 B13R0.66 C=CCCCCOC[C@@H](C)OCOC 34a_100016172286_100011215482 [0,2,0,0,0,0|2,0,0]=4 10915 B13R0.66 C=CCCCCOC[C@@H](C)OCOC 7a_100016172286_100011215482 [0,2,0,0,0,0|2,0,0]=4 10916 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|1,0,0]=3 10917 B13R0.66 C=CCCCCOC[C@@H](N)CCSC 34a_100011827619_100011215482 [0,2,0,0,0,0|1,1,0]=4 10918 B13R0.66 C=CCCN(C)CCCCCCC#N 2230a_100020639649_100009813337 [0,2,0,0,0,0|1,0,1]=4 10919 B13R0.66 C=CCCN(C)CCCCCCC#N 269982a_100020639649_100009813337 [0,2,0,0,0,0|1,0,1]=4 10920 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,2,0,0,0,0|1,0,0]=3 10921 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,2,0,0,0,0|1,0,0]=3 10922 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,2,0,0,0,0|1,0,0]=3 10923 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,2,0,0,0,0|1,0,0]=3 10924 B13R0.66 C=CCCN(C)CCCCCCCO 2230a_100020639649_100000760002 [0,2,0,0,0,0|0,0,0]=2 10925 B13R0.66 C=CCCN(C)CCCCCCCO 269982a_100020639649_100000760002 [0,2,0,0,0,0|0,0,0]=2 10926 B13R0.66 C=CCCN(C)CCCCCCOC 2230a_100020639649_100011998445 [0,2,0,0,0,0|1,0,0]=3 10927 B13R0.66 C=CCCN(C)CCCCCCOC 269982a_100020639649_100011998445 [0,2,0,0,0,0|1,0,0]=3 10928 B13R0.66 C=CCCN(C)CCCOCCOC 2230a_100020639649_100011216529 [0,2,0,0,0,0|2,0,0]=4 10929 B13R0.66 C=CCCN(C)CCCOCCOC 269982a_100020639649_100011216529 [0,2,0,0,0,0|2,0,0]=4 10930 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 10931 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 10932 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 10933 B13R0.66 C=CCNC(=O)CCCCCCCO 240690a_100020586998_100011219782 [0,2,0,0,0,0|0,0,1]=3 10934 B13R0.66 C=CCNC(=O)CCNCCCCO 2230a_100000750430_100011222895 [0,2,0,0,0,0|1,0,1]=4 10935 B13R0.66 C=CCNC(=O)CCSCCCCO 62a_100000210776_100011222895 [0,2,0,0,0,0|1,0,1]=4 10936 B13R0.66 C=CCNC(=O)CCSCCCCO 62a_100011222895_100000210776 [0,2,0,0,0,0|1,0,1]=4 10937 B13R0.66 C=CCNC(=O)CNCCCCCO 2230a_100000762737_100000183597 [0,2,0,0,0,0|1,0,1]=4 10938 B13R0.66 C=CCNC(=O)CSCCCCCO 62a_100000183597_100000746330 [0,2,0,0,0,0|1,0,1]=4 10939 B13R0.66 C=CCNC(=O)CSCCCCCO 62a_100000746330_100000183597 [0,2,0,0,0,0|1,0,1]=4 10940 B13R0.66 C=CCNC(=O)NCCCCCCO 273464a_100000686447_100020586998 [0,2,0,0,0,0|1,0,1]=4 10941 B13R0.66 C=CCNC(=O)NCCCCCCO 273464a_100020586998_100000686447 [0,2,0,0,0,0|1,0,1]=4 10942 B13R0.66 C=CCNC(=O)NCCCCCCO 512a_100000686447_100020586998 [0,2,0,0,0,0|1,0,1]=4 10943 B13R0.66 C=CCNC(=O)NCCCCCCO 512a_100020586998_100000686447 [0,2,0,0,0,0|1,0,1]=4 10944 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,2,0,0,0,0|1,0,0]=3 10945 B13R0.66 C=CCOC(=O)CNCCCCCO 2230a_100000762737_100000033060 [0,2,0,0,0,0|1,0,1]=4 10946 B13R0.66 C=CCOC(=O)CNCCCCCO 34a_100000762737_100000033060 [0,2,0,0,0,0|1,0,1]=4 10947 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000033060_100000746330 [0,2,0,0,0,0|1,0,1]=4 10948 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000746330_100000033060 [0,2,0,0,0,0|1,0,1]=4 10949 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,0]=3 10950 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,0]=3 10951 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,2,0,0,0,0|1,0,0]=3 10952 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,2,0,0,0,0|1,0,0]=3 10953 B13R0.66 C=COCCCCOC(C)CCCC 34a_100000031558_200011215066 [0,2,0,0,0,0|2,0,0]=4 10954 B13R0.66 C=COCCCCOC(C)CCCC 7a_100000031558_200011215066 [0,2,0,0,0,0|2,0,0]=4 10955 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [0,2,0,0,0,0|2,0,0]=4 10956 B13R0.66 CC(CCCCl)OCCCCCCO 34a_200000718107_100000766143 [0,2,0,0,0,0|1,0,1]=4 10957 B13R0.66 CC(CCCCl)OCCCCCCO 7a_200000718107_100000766143 [0,2,0,0,0,0|1,0,1]=4 10958 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,2,0,0,0,0|1,0,1]=4 10959 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,2,0,0,0,0|1,0,1]=4 10960 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [0,2,0,0,0,0|0,0,1]=3 10961 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [0,2,0,0,0,0|0,0,1]=3 10962 B13R0.66 CC=CCC(=O)NCCCCCCO 240690a_100000686447_100121576822 [0,2,0,0,0,0|1,0,1]=4 10963 B13R0.66 CC=CCC(=O)NCCCCCCO 527a_100000686447_100121576822 [0,2,0,0,0,0|1,0,1]=4 10964 B13R0.66 CC=CCN(C)CCCCCCCC 2230a_100000207567_100000070051 [0,2,0,0,0,0|2,0,0]=4 10965 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|0,0,2]=4 10966 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|0,0,2]=4 10967 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,2,0,0,0,0|2,0,0]=4 10968 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,2,0,0,0,0|2,0,0]=4 10969 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 10970 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 10971 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,2,0,0,0,0|2,0,0]=4 10972 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 10973 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 10974 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,2,0,0,0,0|2,0,0]=4 10975 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [0,2,0,0,0,0|0,0,2]=4 10976 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 10977 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [0,2,0,0,0,0|0,0,2]=4 10978 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 10979 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,2,0,0,0,0|2,0,0]=4 10980 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 10981 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 10982 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,2,0,0,0,0|2,0,0]=4 10983 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,2,0,0,0,0|2,0,0]=4 10984 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [0,2,0,0,0,0|0,0,2]=4 10985 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [0,2,0,0,0,0|0,0,2]=4 10986 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|0,0,2]=4 10987 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,2,0,0,0,0|0,0,2]=4 10988 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,2,0,0,0,0|2,0,0]=4 10989 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,2,0,0,0,0|2,0,0]=4 10990 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 10991 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 10992 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,2,0,0,0,0|0,0,2]=4 10993 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 10994 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,2,0,0,0,0|0,0,2]=4 10995 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 10996 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 10997 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 10998 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 10999 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 11000 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [0,2,0,0,0,0|0,0,2]=4 11001 B13R0.66 CN(CCC#N)CCCCCCCO 2230a_100000184479_100000760002 [0,2,0,0,0,0|1,0,1]=4 11002 B13R0.66 CN(CCCO)CCCCCCC#N 2230a_100000213112_100009813337 [0,2,0,0,0,0|1,0,1]=4 11003 B13R0.66 CN(CCCO)CCCCCCC#N 269982a_100000213112_100009813337 [0,2,0,0,0,0|1,0,1]=4 11004 B13R0.66 CN(CCCO)CCCCCCCO 2230a_100000213112_100000760002 [0,2,0,0,0,0|1,0,1]=4 11005 B13R0.66 CN(CCCO)CCCCCCCO 269982a_100000213112_100000760002 [0,2,0,0,0,0|1,0,1]=4 11006 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,2,0,0,0,0|1,0,1]=4 11007 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,2,0,0,0,0|1,0,1]=4 11008 B13R0.66 COCCC(C)NCCCCCCO 270004a_100000686447_100000742357 [0,2,0,0,0,0|1,0,1]=4 11009 B13R0.66 COCCCCCCN(C)CCCO 2230a_100000213112_100011998445 [0,2,0,0,0,0|1,0,1]=4 11010 B13R0.66 COCCCCCCN(C)CCCO 269982a_100000213112_100011998445 [0,2,0,0,0,0|1,0,1]=4 11011 B13R0.66 COCCCCNC[C@H](C)CCCO 2230a_100160569302_100000730899 [0,2,0,0,0,0|1,0,1]=4 11012 B13R0.66 COCCCCNC[C@H](C)CCCO 34a_100160569302_100000755781 [0,2,0,0,0,0|1,0,1]=4 11013 B13R0.66 COCCN(C)CCCCCCCO 2230a_100000743101_100000760002 [0,2,0,0,0,0|1,0,1]=4 11014 B13R0.66 COCCN(C)CCCCCCCO 269982a_100000743101_100000760002 [0,2,0,0,0,0|1,0,1]=4 11015 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,2,0,0,0,0|1,0,1]=4 11016 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,2,0,0,0,0|1,0,1]=4 11017 B13R0.66 CSCCC(C)NCCCCCCO 270004a_100000686447_100011217047 [0,2,0,0,0,0|1,0,1]=4 11018 B13R0.66 CSCCN(C)CCCCCCCO 2230a_100000686725_100000760002 [0,2,0,0,0,0|1,0,1]=4 11019 B13R0.66 CSCCN(C)CCCCCCCO 269982a_100000686725_100000760002 [0,2,0,0,0,0|1,0,1]=4 11020 B13R0.66 CSCC[C@H](N)COCCCCCO 34a_100011827619_100000746330 [0,2,0,0,0,0|1,0,1]=4 11021 B13R0.66 C[C@H](CCCO)CNCCCCC#N 2230a_100160569302_100000211819 [0,2,0,0,0,0|1,0,1]=4 11022 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,2,0,0,0,0|1,0,0]=3 11023 B13R0.66 C[C@H](CCCO)CNCCCCCF 2230a_100160569302_100000729378 [0,2,0,0,0,0|1,0,1]=4 11024 B13R0.66 C[C@H](CCCO)CNCCCCCF 34a_100160569302_100000729378 [0,2,0,0,0,0|1,0,1]=4 11025 B13R0.66 C[C@H](CCCO)CNCCCCCO 2230a_100160569302_100000746330 [0,2,0,0,0,0|1,0,1]=4 11026 B13R0.66 C[C@H](CCCO)CNCCCCCO 34a_100160569302_100000746330 [0,2,0,0,0,0|1,0,1]=4 11027 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [0,2,0,0,0,0|1,0,1]=4 11028 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [0,2,0,0,0,0|1,0,1]=4 11029 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,2,0,0,0,0|1,0,1]=4 11030 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,2,0,0,0,0|1,0,1]=4 11031 B13R0.87 C=CC(O)COCCCC(C)CCC 34a_100011713154_100000730141 [0,2,0,0,0,0|2,0,0]=4 11032 B13R0.87 C=CC(O)COCCCC(C)CCC 7a_100011713154_100000730141 [0,2,0,0,0,0|2,0,0]=4 11033 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 11034 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 11035 B13R0.88 C=CCC(=O)CCCCCCB(O)O 1458a_100000210193_100009817187 [0,2,0,0,0,0|1,0,1]=4 11036 B13R0.88 C=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210623 [0,2,0,0,0,0|1,0,1]=4 11037 B13R0.88 C=CCC(C)COCCCCB(O)O 34a_100009832082_200009817182 [0,2,0,0,0,0|2,0,0]=4 11038 B13R0.88 C=CCC(C)COCCCCB(O)O 7a_100009832082_200009817182 [0,2,0,0,0,0|2,0,0]=4 11039 B13R0.88 C=CCC(C)COCCCCC(C)C 34a_100009832082_100011216152 [0,2,0,0,0,0|2,0,0]=4 11040 B13R0.88 C=CCC(C)COCCCCC(C)C 7a_100009832082_100011216152 [0,2,0,0,0,0|2,0,0]=4 11041 B13R0.88 C=CCN(C)CCCCCCB(O)O 2230a_100000225617_100009817187 [0,2,0,0,0,0|2,0,0]=4 11042 B13R0.88 C=CCN(C)CCCCCCB(O)O 269982a_100000225617_100009817187 [0,2,0,0,0,0|2,0,0]=4 11043 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 34a_100000731007_200009817188 [0,2,0,0,0,0|2,0,0]=4 11044 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 7a_100000731007_200009817188 [0,2,0,0,0,0|2,0,0]=4 11045 B13R0.88 C=CC[C@@H](C)OCCCCCC(C)C 34a_100000731007_100000210682 [0,2,0,0,0,0|2,0,0]=4 11046 B13R0.88 C=CC[C@@H](C)OCCCCCC(C)C 7a_100000731007_100000210682 [0,2,0,0,0,0|2,0,0]=4 11047 B13R0.88 C=CC[C@@H](N)COCCCCB(O)O 34a_100020615467_200009817182 [0,2,0,0,0,0|2,0,0]=4 11048 B13R0.88 C=CC[C@@H](N)COCCCCC(C)C 34a_100020615467_100011216152 [0,2,0,0,0,0|2,0,0]=4 11049 B13R0.88 CC(CCO)OCCCCCC(=O)N 34a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 11050 B13R0.88 CC(CCO)OCCCCCC(=O)N 7a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 11051 B13R0.88 CC(CCO)OCCCCCC(=O)[O-] 7a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 11052 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009817443_100009893172 [0,2,0,0,0,0|2,0,0]=4 11053 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009893172_100009817443 [0,2,0,0,0,0|2,0,0]=4 11054 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 2230a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 11055 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 11056 B13R0.193 C=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210623 [0,2,0,0,0,0|1,0,1]=4 11057 B13R0.193 C=CCC(C)COC(C)CCCCC 34a_100009832082_200011218191 [0,2,0,0,0,0|2,0,0]=4 11058 B13R0.193 C=CCC(C)COC(C)CCCCC 7a_100009832082_200011218191 [0,2,0,0,0,0|2,0,0]=4 11059 B13R0.193 C=CCCNC(C)CCC(C)CCC 270004a_100015191253_200011216527 [0,2,0,0,0,0|2,0,0]=4 11060 B13R0.193 C=CC[C@@H](N)COC(C)CCCCC 34a_100020615467_200011218191 [0,2,0,0,0,0|2,0,0]=4 11061 B13R0.275 C=CCC(=O)C(C)CCCCCCC 1458a_100000210193_200011218727 [0,2,0,0,0,0|1,0,1]=4 11062 B13R0.275 C=CCC(C)C(=O)CCCCCCC 1458a_100011216819_100000210614 [0,2,0,0,0,0|1,0,1]=4 11063 B13R0.275 C=CCC(C)C(=O)CCCCCCF 1458a_100011216819_100015922095 [0,2,0,0,0,0|1,0,1]=4 11064 B13R0.275 C=CCC(C)C(=O)CCCCCCO 1458a_100011216819_100000766143 [0,2,0,0,0,0|0,0,1]=3 11065 B13R0.275 C=CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011216819 [0,2,0,0,0,0|1,0,1]=4 11066 B13R0.275 C=CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000700193 [0,2,0,0,0,0|1,0,1]=4 11067 B13R0.275 C=CCCCCCC(=O)C(C)CCC 1458a_100011934241_100000766640 [0,2,0,0,0,0|1,0,1]=4 11068 B13R0.275 C=CCCCCCC(=O)C(C)CCO 1458a_100011934241_100009893172 [0,2,0,0,0,0|0,0,1]=3 11069 B13R0.275 C=CCCCCCC(=O)N(C)CCO 240690a_100000210263_100011934241 [0,2,0,0,0,0|1,0,1]=4 11070 B13R0.275 C=CCCCCCC(=O)N(C)CCO 527a_100000210263_100011934241 [0,2,0,0,0,0|1,0,1]=4 11071 B13R0.275 C=CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000700193 [0,2,0,0,0,0|1,0,1]=4 11072 B13R0.275 C=CCCCCCN(C)C(C)CCO 2230a_100000731037_100000700193 [0,2,0,0,0,0|1,0,0]=3 11073 B13R0.275 C=CCCCCCN(C)C(C)CCO 269982a_100000731037_100000700193 [0,2,0,0,0,0|1,0,0]=3 11074 B13R0.275 C=CCCCCNC(C)C(C)CCC 270004a_100000703577_100011216282 [0,2,0,0,0,0|2,0,0]=4 11075 B13R0.275 C=CCCCCOC(C)C(C)CCC 34a_100000708338_100011215482 [0,2,0,0,0,0|2,0,0]=4 11076 B13R0.275 C=CCCCCOC(C)C(C)CCC 7a_100000708338_100011215482 [0,2,0,0,0,0|2,0,0]=4 11077 B13R0.275 C=CCCCCO[C@H](C)C(=O)CCO 1458a_200020631580_100000211926 [0,2,0,0,0,0|1,0,1]=4 11078 B13R0.275 C=CCN(C)C(=O)CCCCCCO 240690a_100000225617_100011996774 [0,2,0,0,0,0|1,0,1]=4 11079 B13R0.275 C=CCN(C)C(C)CCCCCCC 2230a_100000225617_200011218727 [0,2,0,0,0,0|2,0,0]=4 11080 B13R0.275 C=CCN(C)C(C)CCCCCCC 269982a_100000225617_200011218727 [0,2,0,0,0,0|2,0,0]=4 11081 B13R0.275 C=CCN(C)C(C)CCCCCCC 270004a_100000225617_100000210596 [0,2,0,0,0,0|2,0,0]=4 11082 B13R0.275 CC(CCO)N(C)CCCCCC=O 2230a_100000731037_100000139337 [0,2,0,0,0,0|2,0,0]=4 11083 B13R0.275 CC(CCO)N(C)CCCCCC=O 269982a_100000731037_100000139337 [0,2,0,0,0,0|2,0,0]=4 11084 B13R0.282 C#CC(CCC)OCCCCCC=C 34a_200011217317_100000700193 [0,2,0,0,0,0|2,0,0]=4 11085 B13R0.282 C#CC(CCC)OCCCCCC=C 7a_200011217317_100000700193 [0,2,0,0,0,0|2,0,0]=4 11086 B13R0.282 C=CCC(C=C)OCCCCCCC 34a_100000038011_100000210614 [0,2,0,0,0,0|2,0,0]=4 11087 B13R0.282 C=CCC(C=C)OCCCCCCC 7a_100000038011_100000210614 [0,2,0,0,0,0|2,0,0]=4 11088 B13R0.282 C=CCC(C=C)OCCCCCCF 34a_100000038011_100015922095 [0,2,0,0,0,0|2,0,0]=4 11089 B13R0.282 C=CCC(C=C)OCCCCCCF 7a_100000038011_100015922095 [0,2,0,0,0,0|2,0,0]=4 11090 B13R0.282 C=CCC(C=C)OCCCCCCO 34a_100000038011_100000766143 [0,2,0,0,0,0|1,0,0]=3 11091 B13R0.282 C=CCC(C=C)OCCCCCCO 7a_100000038011_100000766143 [0,2,0,0,0,0|1,0,0]=3 11092 B13R0.282 C=CCCCCCCN(CC)CCC 2230a_100000226822_100011215473 [0,2,0,0,0,0|2,0,0]=4 11093 B13R0.282 C=CCCCCCCN(CC)CCC 269982a_100000226822_100011215473 [0,2,0,0,0,0|2,0,0]=4 11094 B13R0.282 C=CCCCCCCN(CC)CCO 2230a_100000210973_100011215473 [0,2,0,0,0,0|1,0,0]=3 11095 B13R0.282 C=CCCCCCCN(CC)CCO 269982a_100000210973_100011215473 [0,2,0,0,0,0|1,0,0]=3 11096 B13R0.282 C=CCCCCCNC(CC)CCC 2230a_100000747048_100000700193 [0,2,0,0,0,0|2,0,0]=4 11097 B13R0.282 C=CCCCCCN[C@H](CO)CCC 2230a_100000732646_100000700193 [0,2,0,0,0,0|2,0,0]=4 11098 B13R0.282 C=CCCCCCN[C@H](CO)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|2,0,0]=4 11099 B13R0.282 C=CCCCCCOC(C#N)CCC 34a_100000686963_100000700193 [0,2,0,0,0,0|2,0,0]=4 11100 B13R0.282 C=CCCCCCOC(C#N)CCC 7a_100000686963_100000700193 [0,2,0,0,0,0|2,0,0]=4 11101 B13R0.282 C=CCCCCCOC(C=C)CCC 34a_100011216692_100000700193 [0,2,0,0,0,0|2,0,0]=4 11102 B13R0.282 C=CCCCCCOC(C=C)CCC 7a_100011216692_100000700193 [0,2,0,0,0,0|2,0,0]=4 11103 B13R0.282 C=CCCCCCOC(CC)CCC 34a_100000687864_100000700193 [0,2,0,0,0,0|2,0,0]=4 11104 B13R0.282 C=CCCCCCOC(CC)CCC 7a_100000687864_100000700193 [0,2,0,0,0,0|2,0,0]=4 11105 B13R0.282 C=CCCCCCOC(CC)CCC 7a_100011216702_100011219200 [0,2,0,0,0,0|2,0,0]=4 11106 B13R0.282 C=CCCCCCSC(CC)CCC 62a_100000700193_100011219200 [0,2,0,0,0,0|2,0,0]=4 11107 B13R0.282 C=CCCCCCSC(CC)CCC 62a_100011219200_100000700193 [0,2,0,0,0,0|2,0,0]=4 11108 B13R0.282 C=CCCCOCCC(CCC)SC 34a_100000032865_100000757094 [0,2,0,0,0,0|2,0,0]=4 11109 B13R0.282 C=CCCCOCCC(CCC)SC 7a_100000032865_100000757094 [0,2,0,0,0,0|2,0,0]=4 11110 B13R0.282 C=CC[C@H](CO)NCCCCCCC 2230a_100020615467_100000210681 [0,2,0,0,0,0|2,0,0]=4 11111 B13R0.282 C=CC[C@H](CO)NCCCCCCF 2230a_100020615467_100015922095 [0,2,0,0,0,0|2,0,0]=4 11112 B13R0.282 C=CC[C@H](CO)NCCCCCCO 2230a_100020615467_100000766143 [0,2,0,0,0,0|1,0,0]=3 11113 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215482 [0,2,0,0,0,0|1,0,1]=4 11114 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100011215552_100011216630 [0,2,0,0,0,0|1,0,1]=4 11115 B13R0.330 C=CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100011215552 [0,2,0,0,0,0|1,0,1]=4 11116 B13R0.330 C=CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100011215552 [0,2,0,0,0,0|1,0,1]=4 11117 B13R0.330 C=CCCCCN(C)CC(C)CCC 2230a_100012000471_100011216630 [0,2,0,0,0,0|2,0,0]=4 11118 B13R0.330 C=CCCCCN(C)CC(C)CCC 269982a_100012000471_100011216630 [0,2,0,0,0,0|2,0,0]=4 11119 B13R0.330 C=CCCCCN(C)CC(C)CCC 270004a_100012000471_100000243154 [0,2,0,0,0,0|2,0,0]=4 11120 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 34a_100000731007_100011215978 [0,2,0,0,0,0|2,0,0]=4 11121 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 7a_100000731007_100011215978 [0,2,0,0,0,0|2,0,0]=4 11122 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|1,0,1]=4 11123 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,2,0,0,0,0|0,0,1]=3 11124 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 11125 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 11126 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 11127 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 11128 B13R0.335 C=C(C)CN(C)CCCCCCCO 2230a_100000225649_100000760002 [0,2,0,0,0,0|1,0,0]=3 11129 B13R0.335 C=C(C)CN(C)CCCCCCCO 269982a_100000225649_100000760002 [0,2,0,0,0,0|1,0,0]=3 11130 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,2,0,0,0,0|1,0,1]=4 11131 B13R0.335 C=C(F)CC(=O)CCCCCCCO 1458a_100011219782_100009893438 [0,2,0,0,0,0|0,0,1]=3 11132 B13R0.335 C=C(F)CN(C)CCCCCCCC 2230a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 11133 B13R0.335 C=C(F)CN(C)CCCCCCCC 269982a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 11134 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215473 [0,2,0,0,0,0|1,0,1]=4 11135 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100011809334_100000210624 [0,2,0,0,0,0|1,0,1]=4 11136 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,2,0,0,0,0|0,0,1]=3 11137 B13R0.335 C=CCCCCCCC(=O)CC(F)F 1458a_100011809334_100011934356 [0,2,0,0,0,0|1,0,1]=4 11138 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,2,0,0,0,0|0,0,1]=3 11139 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,2,0,0,0,0|1,0,1]=4 11140 B13R0.335 C=CCCCCCCN(C)CC(C)C 2230a_100000747067_100011215473 [0,2,0,0,0,0|2,0,0]=4 11141 B13R0.335 C=CCCCCCCN(C)CC(C)C 269982a_100000747067_100011215473 [0,2,0,0,0,0|2,0,0]=4 11142 B13R0.335 C=CCCCCCCN(C)CC(C)O 2230a_100000227577_100011215473 [0,2,0,0,0,0|1,0,0]=3 11143 B13R0.335 C=CCCCCCCN(C)CC(C)O 269982a_100000227577_100011215473 [0,2,0,0,0,0|1,0,0]=3 11144 B13R0.335 C=CCCCCCNC(C)CC(C)C 2230a_100000692259_100000700193 [0,2,0,0,0,0|2,0,0]=4 11145 B13R0.335 C=CCCCCCOC(C)CC(C)C 34a_100000211805_100000700193 [0,2,0,0,0,0|2,0,0]=4 11146 B13R0.335 C=CCCCCCOC(C)CC(C)C 34a_100011216702_100000731052 [0,2,0,0,0,0|2,0,0]=4 11147 B13R0.335 C=CCCCCCOC(C)CC(C)C 7a_100000211805_100000700193 [0,2,0,0,0,0|2,0,0]=4 11148 B13R0.335 C=CCCCCCOC(C)CC(C)C 7a_100011216702_100000731052 [0,2,0,0,0,0|2,0,0]=4 11149 B13R0.335 C=CCCCCCSC(C)CC(C)C 62a_100000700193_100000731052 [0,2,0,0,0,0|2,0,0]=4 11150 B13R0.335 C=CCCCCCSC(C)CC(C)C 62a_100000731052_100000700193 [0,2,0,0,0,0|2,0,0]=4 11151 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,2,0,0,0,0|1,0,1]=4 11152 B13R0.335 C=CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100011215482 [0,2,0,0,0,0|2,0,0]=4 11153 B13R0.335 C=CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000757094 [0,2,0,0,0,0|2,0,0]=4 11154 B13R0.335 CN(CCCCCCCO)CC(=O)N 2230a_100000739694_100000760002 [0,2,0,0,0,0|2,0,0]=4 11155 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|2,0,0]=4 11156 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,2,0,0,0,0|1,0,1]=4 11157 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,2,0,0,0,0|1,0,1]=4 11158 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|2,0,0]=4 11159 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,2,0,0,0,0|1,0,1]=4 11160 B13R0.340 C=CC(C)C(=O)CCCCCCCC 1458a_100011216780_100000210759 [0,2,0,0,0,0|1,0,1]=4 11161 B13R0.340 C=CC(C)C(=O)CCCCCCCO 1458a_100011216780_100000760002 [0,2,0,0,0,0|0,0,1]=3 11162 B13R0.340 C=CC(C)C(=O)NCCCCCCO 240690a_100000686447_100011216780 [0,2,0,0,0,0|1,0,1]=4 11163 B13R0.340 C=CC(C)C(=O)NCCCCCCO 527a_100000686447_100011216780 [0,2,0,0,0,0|1,0,1]=4 11164 B13R0.340 C=CC(C)N(C)CCCCCCCC 269982a_100000207567_100011215867 [0,2,0,0,0,0|2,0,0]=4 11165 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215473 [0,2,0,0,0,0|1,0,1]=4 11166 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011809334_100000758301 [0,2,0,0,0,0|1,0,1]=4 11167 B13R0.340 C=CCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215473 [0,2,0,0,0,0|1,0,1]=4 11168 B13R0.340 C=CCCCCCCC(=O)C(O)CO 1458a_100011215603_100011215473 [0,2,0,0,0,0|0,0,1]=3 11169 B13R0.340 C=CCCCCCCN(C)C(C)CC 2230a_100000741768_100011215473 [0,2,0,0,0,0|2,0,0]=4 11170 B13R0.340 C=CCCCCCCN(C)C(C)CC 269982a_100000741768_100011215473 [0,2,0,0,0,0|2,0,0]=4 11171 B13R0.340 C=CCCCCCCN(C)C(C)CO 2230a_100000693034_100011215473 [0,2,0,0,0,0|1,0,0]=3 11172 B13R0.340 C=CCCCCCCN(C)C(C)CO 269982a_100000693034_100011215473 [0,2,0,0,0,0|1,0,0]=3 11173 B13R0.340 C=CCCCCCOC(C)C(C)CC 7a_100011215189_100000700193 [0,2,0,0,0,0|2,0,0]=4 11174 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 34a_100015455354_100000210614 [0,2,0,0,0,0|2,0,0]=4 11175 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 7a_100015455354_100000210614 [0,2,0,0,0,0|2,0,0]=4 11176 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCF 34a_100015455354_100015922095 [0,2,0,0,0,0|2,0,0]=4 11177 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCF 7a_100015455354_100015922095 [0,2,0,0,0,0|2,0,0]=4 11178 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCO 34a_100015455354_100000766143 [0,2,0,0,0,0|1,0,0]=3 11179 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCO 7a_100015455354_100000766143 [0,2,0,0,0,0|1,0,0]=3 11180 B13R0.1338 C=CCC(C)(C)OCCCCCCC 7a_100011995686_100000210614 [0,2,0,0,0,0|2,0,0]=4 11181 B13R0.1338 C=CCC(C)(C)OCCCCCCF 7a_100011995686_100015922095 [0,2,0,0,0,0|2,0,0]=4 11182 B13R0.1338 C=CCC(C)(C)OCCCCCCO 7a_100011995686_100000766143 [0,2,0,0,0,0|1,0,0]=3 11183 B13R0.1338 C=CCCCCCOC(C)(C)CCBr 7a_100000702414_100000700193 [0,2,0,0,0,0|2,0,0]=4 11184 B13R0.1338 C=CCCCCCOC(C)(C)CCC 7a_100000748436_100000700193 [0,2,0,0,0,0|2,0,0]=4 11185 B13R0.1338 C=CCCCCOCC(C)(C)CCC 7a_100011995695_100011215482 [0,2,0,0,0,0|2,0,0]=4 11186 B13R0.1338 C=CCCCCOC[N+](C)(C)CCO 7a_100000766645_200010270792 [0,2,0,0,0,0|2,0,0]=4 11187 B13R0.1338 C=CCCCCSC[N+](C)(C)CCO 62a_100011215482_200010270792 [0,2,0,0,0,0|2,0,0]=4 11188 B13R0.1338 C=CCCCCSC[N+](C)(C)CCO 62a_200010270792_100011215482 [0,2,0,0,0,0|2,0,0]=4 11189 B13R0.1338 C=CCS(=O)(=O)NCCCCCCO 270084a_100000686447_100000751117 [0,2,0,0,0,0|2,0,0]=4 11190 B13R0.1338 C=CCS(=O)(=O)NCCCCCCO 274078a_100000686447_100000751117 [0,2,0,0,0,0|2,0,0]=4 11191 B13R0.1338 C=CC[Si](C)(C)CNCCCCCO 2230a_100000762737_100000046978 [0,2,0,0,0,0|1,1,0]=4 11192 B13R0.1338 C=CC[Si](C)(C)CSCCCCCO 62a_100000046978_100000746330 [0,2,0,0,0,0|1,1,0]=4 11193 B13R0.1338 C=CC[Si](C)(C)CSCCCCCO 62a_100000746330_100000046978 [0,2,0,0,0,0|1,1,0]=4 11194 B13R0.54 C#CCCCCCCCNCC(C)O 2230a_100000210904_100153394163 [0,2,0,0,0,0|0,0,2]=4 11195 B13R0.54 C#CCCCCCCCNCC(C)O 34a_100000210904_100153394163 [0,2,0,0,0,0|0,0,2]=4 11196 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 11197 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000210245_100153394163 [0,2,0,0,0,0|1,0,1]=4 11198 B13R0.54 C#CCCCCCCCOCC(=C)C 7a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 11199 B13R0.54 C#CCCCCCCCOCC(=C)F 34a_100000054614_100009893438 [0,2,0,0,0,0|1,0,1]=4 11200 B13R0.54 C#CCCCCCCCOCC(=C)F 34a_200010262243_100153394163 [0,2,0,0,0,0|1,0,1]=4 11201 B13R0.54 C#CCCCCCCCOCC(=C)F 7a_100000054614_100000042424 [0,2,0,0,0,0|1,0,1]=4 11202 B13R0.54 C#CCCCCCCCOCC(C)O 34a_100000054614_100011218427 [0,2,0,0,0,0|0,0,2]=4 11203 B13R0.54 C#CCCCCCCCOCC(C)O 7a_100000054614_100011218427 [0,2,0,0,0,0|0,0,2]=4 11204 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 34a_100000054614_100009817552 [0,2,0,0,0,0|0,0,2]=4 11205 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 7a_100000054614_100009817552 [0,2,0,0,0,0|0,0,2]=4 11206 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100000748629_100153394163 [0,2,0,0,0,0|1,0,1]=4 11207 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100153394163_100000211660 [0,2,0,0,0,0|1,0,1]=4 11208 B13R0.54 C#CCCCCCCCSCC(=C)F 62a_100000042424_100153394163 [0,2,0,0,0,0|1,0,1]=4 11209 B13R0.54 C#CCCCCCCCSCC(=C)F 62a_100153394163_100000042424 [0,2,0,0,0,0|1,0,1]=4 11210 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100011218427_100153394163 [0,2,0,0,0,0|0,0,2]=4 11211 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100153394163_100011218427 [0,2,0,0,0,0|0,0,2]=4 11212 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100009817552_100153394163 [0,2,0,0,0,0|0,0,2]=4 11213 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100153394163_100009817552 [0,2,0,0,0,0|0,0,2]=4 11214 B13R0.54 C#CCCCCCCNCCC(C)O 2230a_200000755665_100012276617 [0,2,0,0,0,0|0,0,2]=4 11215 B13R0.54 C#CCCCCCCOCCC(=C)Br 34a_100009813270_100012276617 [0,2,0,0,0,0|1,0,1]=4 11216 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100000764851_100012276617 [0,2,0,0,0,0|1,0,1]=4 11217 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 11218 B13R0.54 C#CCCCCCCOCCC(=C)C 7a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 11219 B13R0.54 C#CCCCCCCOCCC(C)O 34a_100011217361_100012276601 [0,2,0,0,0,0|0,0,2]=4 11220 B13R0.54 C#CCCCCCCOCCC(C)O 7a_100011217361_100012276601 [0,2,0,0,0,0|0,0,2]=4 11221 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100000730704_100012276617 [0,2,0,0,0,0|1,0,1]=4 11222 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100012276617_100000730704 [0,2,0,0,0,0|1,0,1]=4 11223 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276601_100012276617 [0,2,0,0,0,0|0,0,2]=4 11224 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276617_100012276601 [0,2,0,0,0,0|0,0,2]=4 11225 B13R0.54 C#CCCCCCOCCCC(C)O 34a_100000766912_200000718107 [0,2,0,0,0,0|0,0,2]=4 11226 B13R0.54 C#CCCCCCOCCCC(C)O 7a_100000766912_200000718107 [0,2,0,0,0,0|0,0,2]=4 11227 B13R0.54 C#CCCCCCSCCCC(C)O 62a_100012094781_200000718107 [0,2,0,0,0,0|0,0,2]=4 11228 B13R0.54 C#CCCCCCSCCCC(C)O 62a_200000718107_100012094781 [0,2,0,0,0,0|0,0,2]=4 11229 B13R0.54 C/C=C/CCOCCCCCB(O)O 34a_100016278192_200009817188 [0,2,0,0,0,0|2,0,0]=4 11230 B13R0.54 C/C=C/CCOCCCCCC(C)C 34a_100016278192_100000210682 [0,2,0,0,0,0|2,0,0]=4 11231 B13R0.54 C/C=C/CNCCCCCCC(C)C 34a_100000211014_100102629194 [0,2,0,0,0,0|2,0,0]=4 11232 B13R0.54 C/C=C/COCCCCCCB(O)O 34a_100016270725_100009817187 [0,2,0,0,0,0|2,0,0]=4 11233 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100009817187_100102629194 [0,2,0,0,0,0|2,0,0]=4 11234 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100102629194_100009817187 [0,2,0,0,0,0|2,0,0]=4 11235 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,0]=3 11236 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|0,0,0]=2 11237 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,2,0,0,0,0|1,0,0]=3 11238 B13R0.54 C=C(Br)CCOCCCOCCOC 34a_100009813270_100011216529 [0,2,0,0,0,0|2,0,0]=4 11239 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 11240 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 11241 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|0,0,0]=2 11242 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|0,0,0]=2 11243 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 11244 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 11245 B13R0.54 C=C(C)CCNCCCOCCCO 2230a_100011310245_100000730704 [0,2,0,0,0,0|1,0,0]=3 11246 B13R0.54 C=C(C)CCNCCCOCCCO 34a_100011310245_100000730704 [0,2,0,0,0,0|1,0,0]=3 11247 B13R0.54 C=C(C)CCNCCCOCCOC 2230a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 11248 B13R0.54 C=C(C)CCNCCCOCCOC 34a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 11249 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|1,0,0]=3 11250 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|1,0,0]=3 11251 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 11252 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,0]=3 11253 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 11254 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|1,0,0]=3 11255 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|0,0,0]=2 11256 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|1,0,0]=3 11257 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|1,0,0]=3 11258 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|1,0,0]=3 11259 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 11260 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 11261 B13R0.54 C=C(C)CCOCCCOCCCN 34a_100011310245_100000730704 [0,2,0,0,0,0|2,0,0]=4 11262 B13R0.54 C=C(C)CCOCCCOCCOC 34a_100000764851_100011216529 [0,2,0,0,0,0|2,0,0]=4 11263 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,2,0,0,0,0|2,0,0]=4 11264 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 11265 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 11266 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100000730704_100009813337 [0,2,0,0,0,0|1,0,1]=4 11267 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100009813337_100000730704 [0,2,0,0,0,0|1,0,1]=4 11268 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|1,0,0]=3 11269 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|1,0,0]=3 11270 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|0,0,0]=2 11271 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|0,0,0]=2 11272 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|1,0,0]=3 11273 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|1,0,0]=3 11274 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100000730704_100011216529 [0,2,0,0,0,0|2,0,0]=4 11275 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100011216529_100000730704 [0,2,0,0,0,0|2,0,0]=4 11276 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 11277 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 11278 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|0,0,0]=2 11279 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|0,0,0]=2 11280 B13R0.54 C=C(C)CNCCOCCOCCO 2230a_100011998139_100000748629 [0,2,0,0,0,0|2,0,0]=4 11281 B13R0.54 C=C(C)CNCCOCCOCCO 34a_100011998139_100000748629 [0,2,0,0,0,0|2,0,0]=4 11282 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 11283 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 11284 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,0]=3 11285 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 11286 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 11287 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 11288 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 11289 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,0]=3 11290 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|0,0,0]=2 11291 B13R0.54 C=C(C)COCCCCCNCCN 34a_103619048469_100000748629 [0,2,0,0,0,0|2,0,0]=4 11292 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,2,0,0,0,0|2,0,0]=4 11293 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 11294 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 11295 B13R0.54 C=C(C)COCCCOCCCOC 34a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 11296 B13R0.54 C=C(C)COCCCOCCCOC 7a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 11297 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 11298 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 11299 B13R0.54 C=C(C)COCCOCCOCCO 34a_100000210245_100000032323 [0,2,0,0,0,0|2,0,0]=4 11300 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|1,0,0]=3 11301 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|0,0,0]=2 11302 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|0,0,0]=2 11303 B13R0.54 C=C(C)CSCCOCCOCCO 62a_100000032323_100000211660 [0,2,0,0,0,0|2,0,0]=4 11304 B13R0.54 C=C(C)CSCCOCCOCCO 62a_100000748629_100000032323 [0,2,0,0,0,0|2,0,0]=4 11305 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|1,0,0]=3 11306 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|1,0,0]=3 11307 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|0,0,0]=2 11308 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|0,0,0]=2 11309 B13R0.54 C=C(F)CNCCOCCOCCO 2230a_100011998139_100009893438 [0,2,0,0,0,0|2,0,0]=4 11310 B13R0.54 C=C(F)CNCCOCCOCCO 34a_100011998139_100009893438 [0,2,0,0,0,0|2,0,0]=4 11311 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|1,0,0]=3 11312 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|1,0,0]=3 11313 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,0]=3 11314 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,0]=3 11315 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,0]=3 11316 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|1,0,0]=3 11317 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|1,0,0]=3 11318 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|1,0,0]=3 11319 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|0,0,0]=2 11320 B13R0.54 C=C(F)COCCCCCNCCN 34a_103619048469_100009893438 [0,2,0,0,0,0|2,0,0]=4 11321 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,2,0,0,0,0|2,0,0]=4 11322 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,2,0,0,0,0|2,0,0]=4 11323 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,2,0,0,0,0|2,0,0]=4 11324 B13R0.54 C=C(F)COCCCOCCCOC 34a_200011215475_100009893438 [0,2,0,0,0,0|2,0,0]=4 11325 B13R0.54 C=C(F)COCCCOCCCOC 7a_200011215475_100000042424 [0,2,0,0,0,0|2,0,0]=4 11326 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,2,0,0,0,0|2,0,0]=4 11327 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,2,0,0,0,0|2,0,0]=4 11328 B13R0.54 C=C(F)COCCOCCOCCO 34a_200010262243_100000032323 [0,2,0,0,0,0|2,0,0]=4 11329 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|1,0,0]=3 11330 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|0,0,0]=2 11331 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|0,0,0]=2 11332 B13R0.54 C=C(F)CSCCOCCOCCO 62a_100000032323_100000042424 [0,2,0,0,0,0|2,0,0]=4 11333 B13R0.54 C=C(F)CSCCOCCOCCO 62a_100000042424_100000032323 [0,2,0,0,0,0|2,0,0]=4 11334 B13R0.54 C=CCCC/C=C/COCCC(C)O 34a_200016268473_100012276601 [0,2,0,0,0,0|0,0,2]=4 11335 B13R0.54 C=CCCC/C=C/COCCC(C)O 7a_200016268473_100012276601 [0,2,0,0,0,0|0,0,2]=4 11336 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|0,0,1]=3 11337 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,2,0,0,0,0|1,0,0]=3 11338 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,2,0,0,0,0|1,0,0]=3 11339 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,2,0,0,0,0|1,0,0]=3 11340 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,2,0,0,0,0|1,0,0]=3 11341 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,2,0,0,0,0|1,0,0]=3 11342 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,2,0,0,0,0|1,0,0]=3 11343 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,2,0,0,0,0|1,0,0]=3 11344 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [0,2,0,0,0,0|1,0,0]=3 11345 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [0,2,0,0,0,0|1,0,0]=3 11346 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|0,0,2]=4 11347 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|0,0,1]=3 11348 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,2,0,0,0,0|1,0,0]=3 11349 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,2,0,0,0,0|1,0,0]=3 11350 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,2,0,0,0,0|0,0,0]=2 11351 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,2,0,0,0,0|0,0,0]=2 11352 B13R0.54 C=CCCCCCCCNCC(F)F 34a_100000765723_100012355270 [0,2,0,0,0,0|1,0,0]=3 11353 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|1,0,1]=4 11354 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 11355 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 11356 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_100000730831_100009893438 [0,2,0,0,0,0|1,0,1]=4 11357 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_200010262243_100012355270 [0,2,0,0,0,0|1,0,1]=4 11358 B13R0.54 C=CCCCCCCCOCC(=C)F 7a_100000730831_100000042424 [0,2,0,0,0,0|1,0,1]=4 11359 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|0,0,2]=4 11360 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|0,0,2]=4 11361 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|0,0,2]=4 11362 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|0,0,2]=4 11363 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,2,0,0,0,0|1,0,0]=3 11364 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,2,0,0,0,0|1,0,0]=3 11365 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,2,0,0,0,0|1,0,0]=3 11366 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,2,0,0,0,0|1,0,0]=3 11367 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,2,0,0,0,0|1,0,0]=3 11368 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,2,0,0,0,0|0,0,0]=2 11369 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,2,0,0,0,0|0,0,0]=2 11370 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000730831_100011934356 [0,2,0,0,0,0|1,0,0]=3 11371 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000743014_100012355270 [0,2,0,0,0,0|1,0,0]=3 11372 B13R0.54 C=CCCCCCCCOCC(F)F 7a_100000730831_100011934356 [0,2,0,0,0,0|1,0,0]=3 11373 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,2,0,0,0,0|1,0,0]=3 11374 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,2,0,0,0,0|1,0,0]=3 11375 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,2,0,0,0,0|0,0,0]=2 11376 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,2,0,0,0,0|0,0,0]=2 11377 B13R0.54 C=CCCCCCCCOC[N+](=O)[O-] 34a_100000730831_100000761209 [0,2,0,0,0,0|1,0,1]=4 11378 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,2,0,0,0,0|1,0,1]=4 11379 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,2,0,0,0,0|1,0,1]=4 11380 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100000042424_100012355270 [0,2,0,0,0,0|1,0,1]=4 11381 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100012355270_100000042424 [0,2,0,0,0,0|1,0,1]=4 11382 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|0,0,2]=4 11383 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|0,0,2]=4 11384 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|0,0,2]=4 11385 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|0,0,2]=4 11386 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,2,0,0,0,0|1,0,0]=3 11387 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,2,0,0,0,0|1,0,0]=3 11388 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,2,0,0,0,0|0,0,0]=2 11389 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,2,0,0,0,0|0,0,0]=2 11390 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100011934356_100012355270 [0,2,0,0,0,0|1,0,0]=3 11391 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100012355270_100011934356 [0,2,0,0,0,0|1,0,0]=3 11392 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,2,0,0,0,0|0,0,0]=2 11393 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,2,0,0,0,0|0,0,0]=2 11394 B13R0.54 C=CCCCCCCCSC[N+](=O)[O-] 62a_100012355270_100000761209 [0,2,0,0,0,0|1,0,1]=4 11395 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,2,0,0,0,0|0,0,0]=2 11396 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,2,0,0,0,0|1,0,1]=4 11397 B13R0.54 C=CCCCCCCOCCC(=C)Br 34a_100009813270_100011215473 [0,2,0,0,0,0|1,0,1]=4 11398 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,2,0,0,0,0|1,0,1]=4 11399 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 11400 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 11401 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 11402 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 11403 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|0,0,2]=4 11404 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|0,0,2]=4 11405 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|0,0,2]=4 11406 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|0,0,2]=4 11407 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|0,0,2]=4 11408 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,2,0,0,0,0|1,0,0]=3 11409 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,2,0,0,0,0|1,0,0]=3 11410 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,2,0,0,0,0|1,0,0]=3 11411 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,2,0,0,0,0|1,0,0]=3 11412 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,2,0,0,0,0|1,0,0]=3 11413 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,2,0,0,0,0|0,0,0]=2 11414 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,2,0,0,0,0|0,0,0]=2 11415 B13R0.54 C=CCCCCCCOCCC(F)F 34a_100103093639_100011215473 [0,2,0,0,0,0|1,0,0]=3 11416 B13R0.54 C=CCCCCCCOCCN(C)C 7a_200011216477_100000755713 [0,2,0,0,0,0|2,0,0]=4 11417 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,2,0,0,0,0|1,0,0]=3 11418 B13R0.54 C=CCCCCCCOCOC(C)C 34a_200011216477_100000709892 [0,2,0,0,0,0|2,0,0]=4 11419 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,2,0,0,0,0|1,0,1]=4 11420 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,2,0,0,0,0|1,0,1]=4 11421 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|0,0,2]=4 11422 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|0,0,2]=4 11423 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|0,0,2]=4 11424 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|0,0,2]=4 11425 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,2,0,0,0,0|1,0,0]=3 11426 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,2,0,0,0,0|1,0,0]=3 11427 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,2,0,0,0,0|0,0,0]=2 11428 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,2,0,0,0,0|0,0,0]=2 11429 B13R0.54 C=CCCCCCCSCCN(C)C 62a_100011215473_100000755713 [0,2,0,0,0,0|2,0,0]=4 11430 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100000709892_100011215473 [0,2,0,0,0,0|2,0,0]=4 11431 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100011215473_100000709892 [0,2,0,0,0,0|2,0,0]=4 11432 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|0,0,2]=4 11433 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,2,0,0,0,0|1,0,0]=3 11434 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,2,0,0,0,0|1,0,0]=3 11435 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,2,0,0,0,0|1,0,1]=4 11436 B13R0.54 C=CCCCCCNCCOC(C)C 2230a_100000701111_100000700193 [0,2,0,0,0,0|2,0,0]=4 11437 B13R0.54 C=CCCCCCNCCOC(C)C 34a_100000701111_100000700193 [0,2,0,0,0,0|2,0,0]=4 11438 B13R0.54 C=CCCCCCNCCSC(C)C 2230a_100000731138_100000700193 [0,2,0,0,0,0|2,0,0]=4 11439 B13R0.54 C=CCCCCCNCCSC(C)C 34a_100000731138_100000700193 [0,2,0,0,0,0|2,0,0]=4 11440 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|0,0,2]=4 11441 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|0,0,2]=4 11442 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|0,0,2]=4 11443 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|0,0,2]=4 11444 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|0,0,2]=4 11445 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|0,0,2]=4 11446 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,2,0,0,0,0|1,0,0]=3 11447 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,2,0,0,0,0|1,0,0]=3 11448 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,2,0,0,0,0|1,0,0]=3 11449 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,2,0,0,0,0|1,0,0]=3 11450 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,2,0,0,0,0|0,0,0]=2 11451 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,2,0,0,0,0|0,0,0]=2 11452 B13R0.54 C=CCCCCCOCCCN(C)C 7a_100011216702_100000757444 [0,2,0,0,0,0|2,0,0]=4 11453 B13R0.54 C=CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000700193 [0,2,0,0,0,0|1,0,1]=4 11454 B13R0.54 C=CCCCCCOCCNC(C)C 34a_100000224655_100000700193 [0,2,0,0,0,0|2,0,0]=4 11455 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100000211219_100000700193 [0,2,0,0,0,0|2,0,0]=4 11456 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100011216702_100000211751 [0,2,0,0,0,0|2,0,0]=4 11457 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100000211219_100000700193 [0,2,0,0,0,0|2,0,0]=4 11458 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100011216702_100000211751 [0,2,0,0,0,0|2,0,0]=4 11459 B13R0.54 C=CCCCCCOCCSC(C)C 34a_100011216702_100000730970 [0,2,0,0,0,0|2,0,0]=4 11460 B13R0.54 C=CCCCCCOCCSC(C)C 34a_200011212901_100000700193 [0,2,0,0,0,0|2,0,0]=4 11461 B13R0.54 C=CCCCCCOCCSC(C)C 7a_100011216702_100000730970 [0,2,0,0,0,0|2,0,0]=4 11462 B13R0.54 C=CCCCCCOCCSC(C)C 7a_200011212901_100000700193 [0,2,0,0,0,0|2,0,0]=4 11463 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|0,0,2]=4 11464 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|0,0,2]=4 11465 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|0,0,2]=4 11466 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|0,0,2]=4 11467 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,2,0,0,0,0|1,0,0]=3 11468 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,2,0,0,0,0|1,0,0]=3 11469 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,2,0,0,0,0|0,0,0]=2 11470 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,2,0,0,0,0|0,0,0]=2 11471 B13R0.54 C=CCCCCCSCCCN(C)C 62a_100000700193_100000757444 [0,2,0,0,0,0|2,0,0]=4 11472 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000211751_100000700193 [0,2,0,0,0,0|2,0,0]=4 11473 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000700193_100000211751 [0,2,0,0,0,0|2,0,0]=4 11474 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000700193_100000730970 [0,2,0,0,0,0|2,0,0]=4 11475 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000730970_100000700193 [0,2,0,0,0,0|2,0,0]=4 11476 B13R0.54 C=CCCCCNCCCCB(O)O 2230a_100000703577_200009817182 [0,2,0,0,0,0|1,0,0]=3 11477 B13R0.54 C=CCCCCNCCCCB(O)O 34a_100000703577_200009817182 [0,2,0,0,0,0|1,0,0]=3 11478 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|0,0,2]=4 11479 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|0,0,2]=4 11480 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,2,0,0,0,0|1,0,0]=3 11481 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,2,0,0,0,0|1,0,0]=3 11482 B13R0.54 C=CCCCCNCCCOC(C)C 2230a_100000737246_100011215482 [0,2,0,0,0,0|2,0,0]=4 11483 B13R0.54 C=CCCCCNCCCOC(C)C 34a_100000737246_100011215482 [0,2,0,0,0,0|2,0,0]=4 11484 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,2,0,0,0,0|1,0,1]=4 11485 B13R0.54 C=CCCCCNCCOCC(F)F 2230a_100000703577_200012177212 [0,2,0,0,0,0|2,0,0]=4 11486 B13R0.54 C=CCCCCNCCOCC(F)F 34a_100000703577_200012177212 [0,2,0,0,0,0|2,0,0]=4 11487 B13R0.54 C=CCCCCOCCCCB(O)O 34a_100000766645_200009817182 [0,2,0,0,0,0|1,0,0]=3 11488 B13R0.54 C=CCCCCOCCCCB(O)O 7a_100000766645_200009817182 [0,2,0,0,0,0|1,0,0]=3 11489 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|0,0,2]=4 11490 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|0,0,2]=4 11491 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|0,0,2]=4 11492 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|0,0,2]=4 11493 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,2,0,0,0,0|1,0,0]=3 11494 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,2,0,0,0,0|1,0,0]=3 11495 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,2,0,0,0,0|1,0,0]=3 11496 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,2,0,0,0,0|1,0,0]=3 11497 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215482 [0,2,0,0,0,0|1,0,1]=4 11498 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215482 [0,2,0,0,0,0|1,0,1]=4 11499 B13R0.54 C=CCCCCOCCCNC(C)C 34a_100000182298_100011215482 [0,2,0,0,0,0|2,0,0]=4 11500 B13R0.54 C=CCCCCOCCNCC(C)C 34a_100015185251_100011215482 [0,2,0,0,0,0|2,0,0]=4 11501 B13R0.54 C=CCCCCOCCOCC(C)C 34a_100000703358_100011215482 [0,2,0,0,0,0|2,0,0]=4 11502 B13R0.54 C=CCCCCOCCOCC(C)C 7a_100000703358_100011215482 [0,2,0,0,0,0|2,0,0]=4 11503 B13R0.54 C=CCCCCOCCOCC(F)F 34a_100000704375_100011215482 [0,2,0,0,0,0|2,0,0]=4 11504 B13R0.54 C=CCCCCOCCOCC(F)F 34a_100000766645_200012177212 [0,2,0,0,0,0|2,0,0]=4 11505 B13R0.54 C=CCCCCOCCOCC(F)F 7a_100000704375_100011215482 [0,2,0,0,0,0|2,0,0]=4 11506 B13R0.54 C=CCCCCOCCOCC(F)F 7a_100000766645_200012177212 [0,2,0,0,0,0|2,0,0]=4 11507 B13R0.54 C=CCCCCOCCSCC(C)C 34a_200000230437_100011215482 [0,2,0,0,0,0|2,0,0]=4 11508 B13R0.54 C=CCCCCOCCSCC(C)C 7a_200000230437_100011215482 [0,2,0,0,0,0|2,0,0]=4 11509 B13R0.54 C=CCCCCSCCCCB(O)O 62a_100011215482_200009817182 [0,2,0,0,0,0|1,0,0]=3 11510 B13R0.54 C=CCCCCSCCCCB(O)O 62a_200009817182_100011215482 [0,2,0,0,0,0|1,0,0]=3 11511 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|0,0,2]=4 11512 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|0,0,2]=4 11513 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,2,0,0,0,0|1,0,0]=3 11514 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,2,0,0,0,0|1,0,0]=3 11515 B13R0.54 C=CCCCCSCCCCN(C)C 62a_100011215482_100000690147 [0,2,0,0,0,0|2,0,0]=4 11516 B13R0.54 C=CCCCCSCCOCC(F)F 62a_100011215482_200012177212 [0,2,0,0,0,0|2,0,0]=4 11517 B13R0.54 C=CCCCCSCCOCC(F)F 62a_200012177212_100011215482 [0,2,0,0,0,0|2,0,0]=4 11518 B13R0.54 C=CCCCNCCCCCB(O)O 2230a_100000700776_200009817188 [0,2,0,0,0,0|1,0,0]=3 11519 B13R0.54 C=CCCCNCCCCCB(O)O 34a_100000700776_200009817188 [0,2,0,0,0,0|1,0,0]=3 11520 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|0,0,2]=4 11521 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|0,0,2]=4 11522 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,2,0,0,0,0|1,0,0]=3 11523 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,2,0,0,0,0|1,0,0]=3 11524 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,2,0,0,0,0|1,0,0]=3 11525 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,2,0,0,0,0|1,0,0]=3 11526 B13R0.54 C=CCCCNCCCOCC(C)C 2230a_100000205972_100011713584 [0,2,0,0,0,0|2,0,0]=4 11527 B13R0.54 C=CCCCNCCCOCC(C)C 34a_100000205972_100000757094 [0,2,0,0,0,0|2,0,0]=4 11528 B13R0.54 C=CCCCOCCCCCB(O)O 34a_100000758997_200009817188 [0,2,0,0,0,0|1,0,0]=3 11529 B13R0.54 C=CCCCOCCCCCB(O)O 7a_100000758997_200009817188 [0,2,0,0,0,0|1,0,0]=3 11530 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|0,0,2]=4 11531 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|0,0,2]=4 11532 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|0,0,2]=4 11533 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|0,0,2]=4 11534 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|0,0,2]=4 11535 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,2,0,0,0,0|1,0,0]=3 11536 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,2,0,0,0,0|1,0,0]=3 11537 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,2,0,0,0,0|1,0,0]=3 11538 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,2,0,0,0,0|1,0,0]=3 11539 B13R0.54 C=CCCCOCCCCNC(C)C 34a_100011521146_100000757094 [0,2,0,0,0,0|2,0,0]=4 11540 B13R0.54 C=CCCCSCCCCCB(O)O 62a_100011713584_200009817188 [0,2,0,0,0,0|1,0,0]=3 11541 B13R0.54 C=CCCCSCCCCCB(O)O 62a_200009817188_100000757094 [0,2,0,0,0,0|1,0,0]=3 11542 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|0,0,2]=4 11543 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|0,0,2]=4 11544 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,2,0,0,0,0|1,0,0]=3 11545 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,2,0,0,0,0|1,0,0]=3 11546 B13R0.54 C=CCCNCCCCCCB(O)O 2230a_100015191253_100009817187 [0,2,0,0,0,0|1,0,0]=3 11547 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,2,0,0,0,0|1,0,0]=3 11548 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,2,0,0,0,0|1,0,0]=3 11549 B13R0.54 C=CCCOCCCCCCB(O)O 34a_100011205117_100009817187 [0,2,0,0,0,0|1,0,0]=3 11550 B13R0.54 C=CCCOCCCCCNC(C)C 34a_100011629493_100000754431 [0,2,0,0,0,0|2,0,0]=4 11551 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100000754431_100009817187 [0,2,0,0,0,0|1,0,0]=3 11552 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100009817187_100000754431 [0,2,0,0,0,0|1,0,0]=3 11553 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,2,0,0,0,0|1,0,0]=3 11554 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,2,0,0,0,0|1,0,0]=3 11555 B13R0.54 C=CCOCCOCCCCB(O)O 34a_100000037705_200009817182 [0,2,0,0,0,0|2,0,0]=4 11556 B13R0.54 C=CCOCCOCCCCB(O)O 7a_100000037705_200009817182 [0,2,0,0,0,0|2,0,0]=4 11557 B13R0.54 C=CCOCCOCCCCC(C)C 34a_100000037705_100011216152 [0,2,0,0,0,0|2,0,0]=4 11558 B13R0.54 C=CCOCCOCCCCC(C)C 7a_100000037705_100011216152 [0,2,0,0,0,0|2,0,0]=4 11559 B13R0.54 C=CCOCCOCCOCC(C)O 34a_100000065479_100011218427 [0,2,0,0,0,0|2,0,0]=4 11560 B13R0.54 C=CCOCCOCCOCC(C)O 7a_100000065479_100011218427 [0,2,0,0,0,0|2,0,0]=4 11561 B13R0.54 C=CCOCCOCCOC[C@@H](C)O 34a_100000065479_100009817552 [0,2,0,0,0,0|2,0,0]=4 11562 B13R0.54 C=CCOCCOCCOC[C@@H](C)O 7a_100000065479_100009817552 [0,2,0,0,0,0|2,0,0]=4 11563 B13R0.54 C=COCCCCOCCCC(C)C 34a_100000031558_100011214892 [0,2,0,0,0,0|2,0,0]=4 11564 B13R0.54 C=COCCCCOCCCC(C)C 7a_100000031558_100011214892 [0,2,0,0,0,0|2,0,0]=4 11565 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,2,0,0,0,0|1,0,0]=3 11566 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,2,0,0,0,0|1,0,0]=3 11567 B13R0.54 C=COCCCNCCCCB(O)O 2230a_100000210767_200009817182 [0,2,0,0,0,0|2,0,0]=4 11568 B13R0.54 C=COCCCNCCCCB(O)O 34a_100000210767_200009817182 [0,2,0,0,0,0|2,0,0]=4 11569 B13R0.54 C=COCCCNCCCCC(C)C 2230a_100000210767_100011216152 [0,2,0,0,0,0|2,0,0]=4 11570 B13R0.54 C=COCCCNCCCCC(C)C 34a_100000210767_100011216152 [0,2,0,0,0,0|2,0,0]=4 11571 B13R0.54 C=COCCNCCCCCC(C)C 2230a_100011290863_100000039644 [0,2,0,0,0,0|2,0,0]=4 11572 B13R0.54 C=COCCNCCCCCC(C)C 34a_100011290863_100000039644 [0,2,0,0,0,0|2,0,0]=4 11573 B13R0.54 C=COCCOCCCCCB(O)O 34a_100000033082_200009817188 [0,2,0,0,0,0|2,0,0]=4 11574 B13R0.54 C=COCCOCCCCCC(C)C 34a_100000033082_100000210682 [0,2,0,0,0,0|2,0,0]=4 11575 B13R0.54 C=COCCOCCCCCC(C)C 34a_100011995859_100000039644 [0,2,0,0,0,0|2,0,0]=4 11576 B13R0.54 C=COCCOCCCCCC(C)C 7a_100011995859_100000039644 [0,2,0,0,0,0|2,0,0]=4 11577 B13R0.54 C=COCCOCCOCCC(C)O 34a_100000039918_100012276601 [0,2,0,0,0,0|2,0,0]=4 11578 B13R0.54 C=COCCOCCOCCC(C)O 7a_100000039918_100012276601 [0,2,0,0,0,0|2,0,0]=4 11579 B13R0.54 C=COCCSCCCCCB(O)O 62a_100000039644_200009817188 [0,2,0,0,0,0|2,0,0]=4 11580 B13R0.54 C=COCCSCCCCCB(O)O 62a_200009817188_100000039644 [0,2,0,0,0,0|2,0,0]=4 11581 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000039644_100000210682 [0,2,0,0,0,0|2,0,0]=4 11582 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000210682_100000039644 [0,2,0,0,0,0|2,0,0]=4 11583 B13R0.54 CC(=CCCNCCCCCCO)C 2230a_100000686447_100011217483 [0,2,0,0,0,0|1,0,0]=3 11584 B13R0.54 CC(=CCCNCCCCCCO)C 34a_100000686447_100011217483 [0,2,0,0,0,0|1,0,0]=3 11585 B13R0.54 CC(=CCCOCCCCCCBr)C 34a_100011215345_100011217483 [0,2,0,0,0,0|2,0,0]=4 11586 B13R0.54 CC(=CCCOCCCCCCBr)C 7a_100011215345_100011217483 [0,2,0,0,0,0|2,0,0]=4 11587 B13R0.54 CC(=CCCOCCCCCCCl)C 34a_100000766143_100011217483 [0,2,0,0,0,0|2,0,0]=4 11588 B13R0.54 CC(=CCCOCCCCCCCl)C 7a_100000766143_100011217483 [0,2,0,0,0,0|2,0,0]=4 11589 B13R0.54 CC(=CCCOCCCCCCF)C 34a_100000732779_100011217483 [0,2,0,0,0,0|2,0,0]=4 11590 B13R0.54 CC(=CCCOCCCCCCF)C 7a_100000732779_100011217483 [0,2,0,0,0,0|2,0,0]=4 11591 B13R0.54 CC(=CCCOCCCCCCN)C 34a_100000686447_100011217483 [0,2,0,0,0,0|2,0,0]=4 11592 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100011217483_100015922095 [0,2,0,0,0,0|2,0,0]=4 11593 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100015922095_100011217483 [0,2,0,0,0,0|2,0,0]=4 11594 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100000766143_100011217483 [0,2,0,0,0,0|1,0,0]=3 11595 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100011217483_100000766143 [0,2,0,0,0,0|1,0,0]=3 11596 B13R0.54 CC(=CCNCCCCCCCO)C 2230a_100011996573_100000761012 [0,2,0,0,0,0|1,0,0]=3 11597 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100000718196_100000760002 [0,2,0,0,0,0|1,0,0]=3 11598 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100011996573_100000761012 [0,2,0,0,0,0|1,0,0]=3 11599 B13R0.54 CC(=CCNCCCOCCCO)C 2230a_100011310245_100000761012 [0,2,0,0,0,0|2,0,0]=4 11600 B13R0.54 CC(=CCNCCCOCCCO)C 34a_100011310245_100000761012 [0,2,0,0,0,0|2,0,0]=4 11601 B13R0.54 CC(=CCOCCCCCCCBr)C 34a_100000760002_100000761012 [0,2,0,0,0,0|2,0,0]=4 11602 B13R0.54 CC(=CCOCCCCCCCBr)C 7a_100000760002_100000761012 [0,2,0,0,0,0|2,0,0]=4 11603 B13R0.54 CC(=CCOCCCCCCCN)C 34a_100011996573_100000761012 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.54 CC(=CCOCCCCCCCO)C 34a_100000753907_100000760002 [0,2,0,0,0,0|1,0,0]=3 11605 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000760002_100000761012 [0,2,0,0,0,0|1,0,0]=3 11606 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000761012_100000760002 [0,2,0,0,0,0|1,0,0]=3 11607 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,1]=3 11608 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|0,0,1]=3 11609 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|1,0,1]=4 11610 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,1]=4 11611 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,1]=4 11612 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,1]=4 11613 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,1]=4 11614 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,1]=4 11615 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,1]=4 11616 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,1]=4 11617 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,1]=4 11618 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,1]=4 11619 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|0,0,1]=3 11620 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|0,0,1]=3 11621 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|1,0,1]=4 11622 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|1,0,1]=4 11623 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|0,0,1]=3 11624 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,1]=4 11625 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,1]=4 11626 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,1]=4 11627 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,1]=4 11628 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,1]=4 11629 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 11630 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,1]=4 11631 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 11632 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,1]=4 11633 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|0,0,1]=3 11634 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|0,0,1]=3 11635 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,1]=4 11636 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,1]=4 11637 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|0,0,1]=3 11638 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|0,0,1]=3 11639 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,1]=4 11640 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|0,0,1]=3 11641 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|0,0,1]=3 11642 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|0,0,1]=3 11643 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|0,0,1]=3 11644 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|0,0,1]=3 11645 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|0,0,1]=3 11646 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|1,0,1]=4 11647 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|1,0,1]=4 11648 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|1,0,1]=4 11649 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|1,0,1]=4 11650 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|1,0,1]=4 11651 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|1,0,1]=4 11652 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|1,0,1]=4 11653 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|1,0,1]=4 11654 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|1,0,1]=4 11655 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|1,0,1]=4 11656 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|1,0,1]=4 11657 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|1,0,1]=4 11658 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|1,0,1]=4 11659 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|1,0,1]=4 11660 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|1,0,1]=4 11661 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|1,0,1]=4 11662 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|1,0,1]=4 11663 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|1,0,1]=4 11664 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|1,0,1]=4 11665 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|1,0,1]=4 11666 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|1,0,1]=4 11667 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|1,0,1]=4 11668 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|1,0,1]=4 11669 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|1,0,1]=4 11670 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|1,0,1]=4 11671 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|1,0,1]=4 11672 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|1,0,1]=4 11673 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|1,0,1]=4 11674 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|1,0,1]=4 11675 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|1,0,1]=4 11676 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|1,0,1]=4 11677 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|1,0,1]=4 11678 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|1,0,1]=4 11679 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|1,0,1]=4 11680 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|1,0,1]=4 11681 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|1,0,1]=4 11682 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|1,0,1]=4 11683 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,2,0,0,0,0|1,0,1]=4 11684 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,2,0,0,0,0|1,0,1]=4 11685 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,2,0,0,0,0|1,0,1]=4 11686 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,2,0,0,0,0|1,0,1]=4 11687 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,2,0,0,0,0|0,0,2]=4 11688 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|0,0,2]=4 11689 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,2,0,0,0,0|2,0,0]=4 11690 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,2,0,0,0,0|2,0,0]=4 11691 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 11692 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 11693 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 11694 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 11695 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,2,0,0,0,0|2,0,0]=4 11696 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 11697 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,2,0,0,0,0|0,0,2]=4 11698 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 11699 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,2,0,0,0,0|0,0,2]=4 11700 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,2,0,0,0,0|2,0,0]=4 11701 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,2,0,0,0,0|0,0,2]=4 11702 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,2,0,0,0,0|0,0,2]=4 11703 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,2,0,0,0,0|2,0,0]=4 11704 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,2,0,0,0,0|2,0,0]=4 11705 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,2,0,0,0,0|0,0,2]=4 11706 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,2,0,0,0,0|0,0,2]=4 11707 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 11708 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 11709 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,2,0,0,0,0|2,0,0]=4 11710 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 11711 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 11712 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,2,0,0,0,0|2,0,0]=4 11713 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,2,0,0,0,0|2,0,0]=4 11714 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,2,0,0,0,0|0,0,2]=4 11715 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,2,0,0,0,0|0,0,2]=4 11716 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,2,0,0,0,0|2,0,0]=4 11717 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 11718 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 11719 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 11720 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 11721 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,2,0,0,0,0|2,0,0]=4 11722 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 11723 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 11724 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,2,0,0,0,0|2,0,0]=4 11725 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,2,0,0,0,0|2,0,0]=4 11726 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,2,0,0,0,0|0,0,2]=4 11727 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,2,0,0,0,0|0,0,2]=4 11728 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 11729 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,2,0,0,0,0|0,0,2]=4 11730 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 11731 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 11732 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 11733 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,2,0,0,0,0|0,0,2]=4 11734 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,2,0,0,0,0|0,0,2]=4 11735 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 11736 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,2,0,0,0,0|0,0,2]=4 11737 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,2,0,0,0,0|0,0,2]=4 11738 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 11739 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,2,0,0,0,0|0,0,2]=4 11740 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|0,0,2]=4 11741 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,2,0,0,0,0|0,0,2]=4 11742 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,2,0,0,0,0|0,0,2]=4 11743 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 11744 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 11745 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 11746 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 11747 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|0,0,2]=4 11748 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,2,0,0,0,0|0,0,2]=4 11749 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,2,0,0,0,0|0,0,2]=4 11750 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|0,0,2]=4 11751 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 11752 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 11753 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 11754 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 11755 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 11756 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 11757 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 11758 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 11759 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,2,0,0,0,0|1,0,1]=4 11760 B13R0.54 CC(O)CCCSCCCCCC#N 62a_100009813376_200000718107 [0,2,0,0,0,0|1,0,1]=4 11761 B13R0.54 CC(O)CCCSCCCCCC#N 62a_200000718107_100009813376 [0,2,0,0,0,0|1,0,1]=4 11762 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,2,0,0,0,0|1,0,0]=3 11763 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,2,0,0,0,0|1,0,0]=3 11764 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,2,0,0,0,0|1,0,1]=4 11765 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,2,0,0,0,0|1,0,1]=4 11766 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 11767 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|0,0,2]=4 11768 B13R0.54 CC(O)CCNCCCCCCC#N 2230a_200000755665_100009813337 [0,2,0,0,0,0|1,0,1]=4 11769 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 11770 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|0,0,2]=4 11771 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 11772 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11773 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11774 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,2,0,0,0,0|1,0,1]=4 11775 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100009813337_100012276601 [0,2,0,0,0,0|1,0,1]=4 11776 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100012276601_100009813337 [0,2,0,0,0,0|1,0,1]=4 11777 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 11778 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|0,0,2]=4 11779 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 11780 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 11781 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 11782 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 11783 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 11784 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 11785 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 11786 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 11787 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 11788 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 11789 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|0,0,2]=4 11790 B13R0.54 CC=CCCCOCCCCB(O)O 34a_100020645299_200009817182 [0,2,0,0,0,0|2,0,0]=4 11791 B13R0.54 CC=CCCCOCCCCC(C)C 34a_100020645299_100011216152 [0,2,0,0,0,0|2,0,0]=4 11792 B13R0.54 CC=CCNCCCCCCC(C)C 2230a_100000211014_100000070051 [0,2,0,0,0,0|2,0,0]=4 11793 B13R0.54 CC=CCNCCCCCCC(C)C 34a_100000211014_100000070051 [0,2,0,0,0,0|2,0,0]=4 11794 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100000070051_100009817187 [0,2,0,0,0,0|2,0,0]=4 11795 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100009817187_100000070051 [0,2,0,0,0,0|2,0,0]=4 11796 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|1,0,1]=4 11797 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|1,0,1]=4 11798 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|1,0,1]=4 11799 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|1,0,1]=4 11800 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|1,0,1]=4 11801 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|1,0,1]=4 11802 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|1,0,1]=4 11803 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|1,0,1]=4 11804 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|1,0,1]=4 11805 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|2,0,0]=4 11806 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|2,0,0]=4 11807 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|2,0,0]=4 11808 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|2,0,0]=4 11809 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|2,0,0]=4 11810 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 11811 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 11812 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 11813 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 11814 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 11815 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 11816 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|1,0,1]=4 11817 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|2,0,0]=4 11818 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|2,0,0]=4 11819 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|2,0,0]=4 11820 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 11821 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 11822 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 11823 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 11824 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|2,0,0]=4 11825 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|2,0,0]=4 11826 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|0,0,2]=4 11827 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|0,0,2]=4 11828 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 11829 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 11830 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,2,0,0,0,0|2,0,0]=4 11831 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|2,0,0]=4 11832 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|2,0,0]=4 11833 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 11834 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|0,0,2]=4 11835 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 11836 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,2,0,0,0,0|2,0,0]=4 11837 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,2,0,0,0,0|2,0,0]=4 11838 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,2,0,0,0,0|2,0,0]=4 11839 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|1,0,1]=4 11840 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|1,0,1]=4 11841 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|1,0,1]=4 11842 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|2,0,0]=4 11843 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|2,0,0]=4 11844 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|2,0,0]=4 11845 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|2,0,0]=4 11846 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 11847 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 11848 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,2,0,0,0,0|2,0,0]=4 11849 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,2,0,0,0,0|2,0,0]=4 11850 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|1,0,1]=4 11851 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|1,0,1]=4 11852 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|2,0,0]=4 11853 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|2,0,0]=4 11854 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|0,0,2]=4 11855 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|0,0,2]=4 11856 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,2,0,0,0,0|2,0,0]=4 11857 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,2,0,0,0,0|2,0,0]=4 11858 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|2,0,0]=4 11859 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|0,0,2]=4 11860 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 11861 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 11862 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 11863 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 11864 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|1,0,1]=4 11865 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|1,0,1]=4 11866 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|1,0,1]=4 11867 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|1,0,1]=4 11868 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|2,0,0]=4 11869 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|2,0,0]=4 11870 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 11871 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 11872 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,2,0,0,0,0|2,0,0]=4 11873 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,2,0,0,0,0|2,0,0]=4 11874 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,2,0,0,0,0|2,0,0]=4 11875 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,2,0,0,0,0|2,0,0]=4 11876 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|1,0,1]=4 11877 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|1,0,1]=4 11878 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|2,0,0]=4 11879 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|2,0,0]=4 11880 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|0,0,2]=4 11881 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|0,0,2]=4 11882 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|2,0,0]=4 11883 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|1,0,1]=4 11884 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|1,0,1]=4 11885 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|2,0,0]=4 11886 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|2,0,0]=4 11887 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|1,0,1]=4 11888 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|1,0,1]=4 11889 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|2,0,0]=4 11890 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|2,0,0]=4 11891 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|2,0,0]=4 11892 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|2,0,0]=4 11893 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|2,0,0]=4 11894 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|2,0,0]=4 11895 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|2,0,0]=4 11896 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|2,0,0]=4 11897 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 11898 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 11899 B13R0.54 CN(C)CCCCSCCCCCO 62a_100000746330_100000690147 [0,2,0,0,0,0|1,0,1]=4 11900 B13R0.54 CN(C)CCCSCCCCCCO 62a_100000766143_100000757444 [0,2,0,0,0,0|1,0,1]=4 11901 B13R0.54 CN(C)CCSCCCCCCCO 62a_100000760002_100000755713 [0,2,0,0,0,0|1,0,1]=4 11902 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,2,0,0,0,0|1,0,1]=4 11903 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,2,0,0,0,0|1,0,1]=4 11904 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 11905 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 11906 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,1]=4 11907 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|2,0,0]=4 11908 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|2,0,0]=4 11909 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|2,0,0]=4 11910 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|2,0,0]=4 11911 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|1,0,1]=4 11912 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|1,0,1]=4 11913 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,1]=4 11914 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,1]=4 11915 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|2,0,0]=4 11916 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,2,0,0,0,0|1,0,1]=4 11918 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,2,0,0,0,0|1,0,1]=4 11919 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,1]=4 11920 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|2,0,0]=4 11921 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,2,0,0,0,0|1,0,1]=4 11922 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,2,0,0,0,0|1,0,1]=4 11923 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|2,0,0]=4 11924 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,1]=4 11925 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|2,0,0]=4 11926 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|2,0,0]=4 11927 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,1]=4 11928 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,1]=4 11929 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|2,0,0]=4 11930 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|2,0,0]=4 11931 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|2,0,0]=4 11932 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|2,0,0]=4 11933 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|2,0,0]=4 11934 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|2,0,0]=4 11935 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|1,0,1]=4 11937 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|0,0,2]=4 11938 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|0,0,2]=4 11939 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|0,0,2]=4 11940 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 11941 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 11942 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 11943 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 11944 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 11945 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 11946 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 11947 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 11948 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|0,0,2]=4 11949 B13R0.54 FC(=CCCOCCCCCCBr)F 34a_100011215345_200009816681 [0,2,0,0,0,0|2,0,0]=4 11950 B13R0.54 FC(=CCCOCCCCCCBr)F 7a_100011215345_200009816681 [0,2,0,0,0,0|2,0,0]=4 11951 B13R0.54 FC(=CCCOCCCCCCCl)F 34a_100000766143_200009816681 [0,2,0,0,0,0|2,0,0]=4 11952 B13R0.54 FC(=CCCOCCCCCCCl)F 7a_100000766143_200009816681 [0,2,0,0,0,0|2,0,0]=4 11953 B13R0.54 FCCCCCCOCCC=C(F)F 34a_100000732779_200009816681 [0,2,0,0,0,0|2,0,0]=4 11954 B13R0.54 FCCCCCCOCCC=C(F)F 7a_100000732779_200009816681 [0,2,0,0,0,0|2,0,0]=4 11955 B13R0.54 FCCCCCCSCCC=C(F)F 62a_100015922095_200009816681 [0,2,0,0,0,0|2,0,0]=4 11956 B13R0.54 FCCCCCCSCCC=C(F)F 62a_200009816681_100015922095 [0,2,0,0,0,0|2,0,0]=4 11957 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 11958 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 11959 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|2,0,0]=4 11960 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|2,0,0]=4 11961 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|2,0,0]=4 11962 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|2,0,0]=4 11963 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|2,0,0]=4 11964 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|2,0,0]=4 11965 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|2,0,0]=4 11966 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|2,0,0]=4 11967 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,0]=3 11968 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,0]=3 11969 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|2,0,0]=4 11970 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|2,0,0]=4 11971 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 11972 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,0]=3 11973 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|2,0,0]=4 11974 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,0]=3 11975 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,2,0,0,0,0|2,0,0]=4 11976 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|2,0,0]=4 11977 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|2,0,0]=4 11978 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 11979 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 11980 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,2,0,0,0,0|2,0,0]=4 11981 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,2,0,0,0,0|2,0,0]=4 11982 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|2,0,0]=4 11983 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 11984 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,0]=3 11985 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|2,0,0]=4 11986 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|2,0,0]=4 11987 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|2,0,0]=4 11988 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|2,0,0]=4 11989 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|2,0,0]=4 11990 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|2,0,0]=4 11991 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|2,0,0]=4 11992 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|2,0,0]=4 11993 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 11994 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,0]=3 11995 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,0]=3 11996 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 11997 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,2,0,0,0,0|2,0,0]=4 11998 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 11999 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|2,0,0]=4 12000 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|2,0,0]=4 12001 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 12002 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 12003 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,0]=3 12004 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 12005 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,0]=3 12006 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,0]=3 12007 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 12008 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|2,0,0]=4 12009 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|2,0,0]=4 12010 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|2,0,0]=4 12011 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|2,0,0]=4 12012 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 12013 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 12014 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,2,0,0,0,0|2,0,0]=4 12015 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 12016 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,0]=3 12017 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,0]=3 12018 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,2,0,0,0,0|2,0,0]=4 12019 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,2,0,0,0,0|2,0,0]=4 12020 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,2,0,0,0,0|2,0,0]=4 12021 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 12022 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,2,0,0,0,0|2,0,0]=4 12023 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 12024 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,2,0,0,0,0|2,0,0]=4 12025 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 12026 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,2,0,0,0,0|2,0,0]=4 12027 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|2,0,0]=4 12028 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|2,0,0]=4 12029 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.54 NCCCCCCOCCC=C(F)F 34a_100000686447_200009816681 [0,2,0,0,0,0|2,0,0]=4 12031 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|2,0,0]=4 12032 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|2,0,0]=4 12033 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|1,0,0]=3 12034 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|2,0,0]=4 12035 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|2,0,0]=4 12036 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|2,0,0]=4 12037 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|1,0,0]=3 12038 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 12039 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|2,0,0]=4 12040 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|2,0,0]=4 12041 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 12042 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,0,0]=3 12043 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [0,2,0,0,0,0|2,0,0]=4 12044 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [0,2,0,0,0,0|2,0,0]=4 12045 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [0,2,0,0,0,0|2,0,0]=4 12046 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [0,2,0,0,0,0|2,0,0]=4 12047 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 12048 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 12049 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,2,0,0,0,0|2,0,0]=4 12050 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 12051 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 12052 B13R0.54 OCCCCCCCCNCC(F)F 2230a_102515433106_100011934356 [0,2,0,0,0,0|1,0,1]=4 12053 B13R0.54 OCCCCCCCCNCC(F)F 34a_100000765723_100000033203 [0,2,0,0,0,0|1,0,1]=4 12054 B13R0.54 OCCCCCCCCNCC(F)F 34a_102515433106_100011934356 [0,2,0,0,0,0|1,0,1]=4 12055 B13R0.54 OCCCCCCCCOCC(F)F 34a_100000743014_100000033203 [0,2,0,0,0,0|1,0,1]=4 12056 B13R0.54 OCCCCCCCCSCC(F)F 62a_100000033203_100011934356 [0,2,0,0,0,0|1,0,1]=4 12057 B13R0.54 OCCCCCCCCSCC(F)F 62a_100011934356_100000033203 [0,2,0,0,0,0|1,0,1]=4 12058 B13R0.54 OCCCCCCCOCCC(F)F 34a_100103093639_100000760002 [0,2,0,0,0,0|1,0,1]=4 12059 B13R0.54 OCCCCCCNCCC=C(F)F 2230a_100000686447_200009816681 [0,2,0,0,0,0|1,0,0]=3 12060 B13R0.54 OCCCCCCNCCC=C(F)F 34a_100000686447_200009816681 [0,2,0,0,0,0|1,0,0]=3 12061 B13R0.54 OCCCCCCSCCC=C(F)F 62a_100000766143_200009816681 [0,2,0,0,0,0|1,0,0]=3 12062 B13R0.54 OCCCCCCSCCC=C(F)F 62a_200009816681_100000766143 [0,2,0,0,0,0|1,0,0]=3 12063 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [0,2,0,0,0,0|2,0,0]=4 12064 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [0,2,0,0,0,0|2,0,0]=4 12065 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [0,2,0,0,0,0|2,0,0]=4 12066 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [0,2,0,0,0,0|2,0,0]=4 12067 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [0,2,0,0,0,0|2,0,0]=4 12068 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [0,2,0,0,0,0|2,0,0]=4 12069 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [0,2,0,0,0,0|2,0,0]=4 12070 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [0,2,0,0,0,0|2,0,0]=4 12071 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [0,2,0,0,0,0|2,0,0]=4 12072 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [0,2,0,0,0,0|2,0,0]=4 12073 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|0,0,2]=4 12074 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|1,0,1]=4 12075 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|0,0,1]=3 12076 B13R0.147 C#CC(C)NCCCCCCCC=C 2230a_100000707721_100012355270 [0,2,0,0,0,0|1,0,1]=4 12077 B13R0.147 C#CC(C)NCCCCCCCC=C 34a_100000707721_100012355270 [0,2,0,0,0,0|1,0,1]=4 12078 B13R0.147 C#CC(C)NCCCCCCCCO 2230a_100000707721_100000033203 [0,2,0,0,0,0|0,0,2]=4 12079 B13R0.147 C#CC(C)NCCCCCCCCO 34a_100000707721_100000033203 [0,2,0,0,0,0|0,0,2]=4 12080 B13R0.147 C#CC(C)NCCCCCCCCO 34a_102515433106_200000035995 [0,2,0,0,0,0|0,0,2]=4 12081 B13R0.147 C#CC(C)OCCCCCCCC=C 34a_100000730831_200000035995 [0,2,0,0,0,0|1,0,1]=4 12082 B13R0.147 C#CC(C)SCCCCCCCC=C 62a_200000035995_100012355270 [0,2,0,0,0,0|1,0,1]=4 12083 B13R0.147 C#CC(C)SCCCCCCCCO 62a_200000035995_100000033203 [0,2,0,0,0,0|0,0,2]=4 12084 B13R0.147 C#CC(O)CCCCCNCCC=C 2230a_100015191253_200010408556 [0,2,0,0,0,0|1,0,0]=3 12085 B13R0.147 C#CC(O)CCCCCOCCC=C 34a_100011205117_200010408556 [0,2,0,0,0,0|1,0,0]=3 12086 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_100000754431_200010408556 [0,2,0,0,0,0|1,0,0]=3 12087 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_200010408556_100000754431 [0,2,0,0,0,0|1,0,0]=3 12088 B13R0.147 C#CC(O)CCCCCSCCCO 62a_100011215043_200010408556 [0,2,0,0,0,0|0,0,2]=4 12089 B13R0.147 C#CC(O)CCCCCSCCCO 62a_200010408556_100011215043 [0,2,0,0,0,0|0,0,2]=4 12090 B13R0.147 C#CCCCCCCCN[C@H](C)CO 2230a_100000737577_100153394163 [0,2,0,0,0,0|0,0,2]=4 12091 B13R0.147 C#CCCCCCCCOC(C)C=C 34a_100000695699_100153394163 [0,2,0,0,0,0|1,0,1]=4 12092 B13R0.147 C#CCCCCCCCOC(C)CO 34a_100000054614_100012180447 [0,2,0,0,0,0|0,0,2]=4 12093 B13R0.147 C#CCCCCCCCOC(C)CO 7a_100000054614_100012180447 [0,2,0,0,0,0|0,0,2]=4 12094 B13R0.147 C#CCCCCCCCSC(C)C=C 62a_100011215867_100153394163 [0,2,0,0,0,0|1,0,1]=4 12095 B13R0.147 C#CCCCCCCCSC(C)CO 62a_100012180447_100153394163 [0,2,0,0,0,0|0,0,2]=4 12096 B13R0.147 C#CCCCCCCCS[C@H](C)CO 62a_100016084084_100153394163 [0,2,0,0,0,0|0,0,2]=4 12097 B13R0.147 C#CCCCCCCCS[C@H](C)CO 62a_100153394163_100016084084 [0,2,0,0,0,0|0,0,2]=4 12098 B13R0.147 C#CCCCCCCNCC(C)CO 34a_100000744482_100012276617 [0,2,0,0,0,0|0,0,2]=4 12099 B13R0.147 C#CCCCCCCNC[C@@H](F)CO 34a_100015665980_100012276617 [0,2,0,0,0,0|0,0,2]=4 12100 B13R0.147 C#CCCCCCCNC[C@H](O)CO 2230a_100020644852_100012276617 [0,2,0,0,0,0|0,0,2]=4 12101 B13R0.147 C#CCCCCCCOCC(C)C=C 34a_100011215527_100012276617 [0,2,0,0,0,0|1,0,1]=4 12102 B13R0.147 C#CCCCCCCOCC(C)C=C 7a_100011215527_100012276617 [0,2,0,0,0,0|1,0,1]=4 12103 B13R0.147 C#CCCCCCCOCC(O)C=C 34a_100011217361_100000730141 [0,2,0,0,0,0|1,0,1]=4 12104 B13R0.147 C#CCCCCCCOCC(O)C=C 7a_100011217361_100000730141 [0,2,0,0,0,0|1,0,1]=4 12105 B13R0.147 C#CCCCCCCOCC(O)CO 34a_100011217361_100011219619 [0,2,0,0,0,0|0,0,2]=4 12106 B13R0.147 C#CCCCCCCOCC(O)CO 7a_100011217361_100011219619 [0,2,0,0,0,0|0,0,2]=4 12107 B13R0.147 C#CCCCCCCOC[C@@H](C)CO 34a_100011217361_100000059175 [0,2,0,0,0,0|0,0,2]=4 12108 B13R0.147 C#CCCCCCCOC[C@@H](C)CO 7a_100011217361_100000059175 [0,2,0,0,0,0|0,0,2]=4 12109 B13R0.147 C#CCCCCCCOC[C@@H](N)C=C 34a_100016989147_100012276617 [0,2,0,0,0,0|1,0,1]=4 12110 B13R0.147 C#CCCCCCCOC[C@@H](O)CO 34a_100011217361_100009815848 [0,2,0,0,0,0|0,0,2]=4 12111 B13R0.147 C#CCCCCCCOC[C@@H](O)CO 7a_100011217361_100009815848 [0,2,0,0,0,0|0,0,2]=4 12112 B13R0.147 C#CCCCCCCSCC(O)C=C 62a_100000730141_100012276617 [0,2,0,0,0,0|1,0,1]=4 12113 B13R0.147 C#CCCCCCCSCC(O)C=C 62a_100012276617_100000730141 [0,2,0,0,0,0|1,0,1]=4 12114 B13R0.147 C#CCCCCCCSCC(O)CO 62a_100011219619_100012276617 [0,2,0,0,0,0|0,0,2]=4 12115 B13R0.147 C#CCCCCCCSCC(O)CO 62a_100012276617_100011219619 [0,2,0,0,0,0|0,0,2]=4 12116 B13R0.147 C#CCCCCCCSC[C@@H](C)CO 62a_100000059175_100012276617 [0,2,0,0,0,0|0,0,2]=4 12117 B13R0.147 C#CCCCCCCSC[C@@H](C)CO 62a_100012276617_100000059175 [0,2,0,0,0,0|0,0,2]=4 12118 B13R0.147 C#CCCCCCCSC[C@@H](O)CO 62a_100009815848_100012276617 [0,2,0,0,0,0|0,0,2]=4 12119 B13R0.147 C#CCCCCCCSC[C@@H](O)CO 62a_100012276617_100009815848 [0,2,0,0,0,0|0,0,2]=4 12120 B13R0.147 C#CCCCCCNCCC(C)CO 2230a_106354213184_100012094781 [0,2,0,0,0,0|0,0,2]=4 12121 B13R0.147 C#CCCCCCNCCC(C)CO 34a_106354213184_100012094781 [0,2,0,0,0,0|0,0,2]=4 12122 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 34a_100009815206_100012355270 [0,2,0,0,0,0|1,0,1]=4 12123 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 7a_100009815206_100012355270 [0,2,0,0,0,0|1,0,1]=4 12124 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 34a_100009815206_100000033203 [0,2,0,0,0,0|0,0,2]=4 12125 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 7a_100009815206_100000033203 [0,2,0,0,0,0|0,0,2]=4 12126 B13R0.147 C/C=C/COCCCCCC(C)CC 7a_200000035636_100102629194 [0,2,0,0,0,0|2,0,0]=4 12127 B13R0.147 C=C(C#N)CNCCCCCCCC 2230a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 12128 B13R0.147 C=C(C#N)CNCCCCCCCC 34a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 12129 B13R0.147 C=C(C#N)CNCCCCCCCO 2230a_100011996573_100000694840 [0,2,0,0,0,0|1,0,0]=3 12130 B13R0.147 C=C(C#N)CNCCCCCCCO 34a_100011996573_100000694840 [0,2,0,0,0,0|1,0,0]=3 12131 B13R0.147 C=C(C#N)CNCCCOCCCO 2230a_100011310245_100000694840 [0,2,0,0,0,0|2,0,0]=4 12132 B13R0.147 C=C(C#N)CNCCCOCCCO 34a_100011310245_100000694840 [0,2,0,0,0,0|2,0,0]=4 12133 B13R0.147 C=C(C#N)COCCCCCCCBr 34a_100000760002_100000694840 [0,2,0,0,0,0|2,0,0]=4 12134 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,2,0,0,0,0|2,0,0]=4 12135 B13R0.147 C=C(C#N)COCCCCCCCN 34a_100011996573_100000694840 [0,2,0,0,0,0|2,0,0]=4 12136 B13R0.147 C=C(C#N)CSCCCCCCCC 62a_100000210759_100000694840 [0,2,0,0,0,0|2,0,0]=4 12137 B13R0.147 C=C(C#N)CSCCCCCCCO 62a_100000760002_100000694840 [0,2,0,0,0,0|1,0,0]=3 12138 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|1,0,0]=3 12139 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|0,0,0]=2 12140 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|1,0,1]=4 12141 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|1,0,1]=4 12142 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|0,0,1]=3 12143 B13R0.147 C=CC(=O)NCCCCOCCCO 34a_100014118770_100000230001 [0,2,0,0,0,0|1,0,1]=4 12144 B13R0.147 C=CC(=O)NCCNCCCCCO 2230a_114873766552_100000746330 [0,2,0,0,0,0|1,0,1]=4 12145 B13R0.147 C=CC(=O)NCCOCCCCCO 34a_100011304386_100000746330 [0,2,0,0,0,0|1,0,1]=4 12146 B13R0.147 C=CC(=O)OCCCCCOCCO 7a_200011023508_100000211926 [0,2,0,0,0,0|1,0,1]=4 12147 B13R0.147 C=CC(=O)OCCNCCCCCO 2230a_100000762737_100009813456 [0,2,0,0,0,0|1,0,1]=4 12148 B13R0.147 C=CC(=O)OCCNCCCCCO 34a_100000762737_100009813456 [0,2,0,0,0,0|1,0,1]=4 12149 B13R0.147 C=CC(=O)OCCSCCCCCO 62a_100000746330_100009813456 [0,2,0,0,0,0|1,0,1]=4 12150 B13R0.147 C=CC(=O)OCCSCCCCCO 62a_100009813456_100000746330 [0,2,0,0,0,0|1,0,1]=4 12151 B13R0.147 C=CC(C)COCCCCCCC#N 7a_100011215527_100009813337 [0,2,0,0,0,0|1,0,1]=4 12152 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,0]=3 12153 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,0]=3 12154 B13R0.147 C=CC(C)COCCCCCCCO 34a_100011215527_100000760002 [0,2,0,0,0,0|0,0,0]=2 12155 B13R0.147 C=CC(C)COCCCCCCCO 7a_100011215527_100000760002 [0,2,0,0,0,0|0,0,0]=2 12156 B13R0.147 C=CC(C)COCCCCCCOC 34a_100011215527_100011998445 [0,2,0,0,0,0|1,0,0]=3 12157 B13R0.147 C=CC(C)COCCCCCCOC 7a_100011215527_100011998445 [0,2,0,0,0,0|1,0,0]=3 12158 B13R0.147 C=CC(C)COCCCOCCOC 34a_100011215527_100011216529 [0,2,0,0,0,0|2,0,0]=4 12159 B13R0.147 C=CC(C)COCCCOCCOC 7a_100011215527_100011216529 [0,2,0,0,0,0|2,0,0]=4 12160 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,0]=3 12161 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,2,0,0,0,0|0,0,0]=2 12162 B13R0.147 C=CC(C)OCCOCCOCCO 34a_100000695699_100000032323 [0,2,0,0,0,0|2,0,0]=4 12163 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [0,2,0,0,0,0|1,0,0]=3 12164 B13R0.147 C=CC(C)SCCCCCCCCO 62a_100011215867_100000033203 [0,2,0,0,0,0|0,0,0]=2 12165 B13R0.147 C=CC(C)SCCOCCOCCO 62a_100011215867_100000032323 [0,2,0,0,0,0|2,0,0]=4 12166 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 12167 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 12168 B13R0.147 C=CC(O)CNCCCCCCCO 2230a_100011996573_100000730141 [0,2,0,0,0,0|0,0,0]=2 12169 B13R0.147 C=CC(O)CNCCCCCCCO 34a_100011996573_100000730141 [0,2,0,0,0,0|0,0,0]=2 12170 B13R0.147 C=CC(O)CNCCCOCCCC 2230a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 12171 B13R0.147 C=CC(O)CNCCCOCCCC 34a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 12172 B13R0.147 C=CC(O)CNCCCOCCCO 2230a_100011310245_100000730141 [0,2,0,0,0,0|1,0,0]=3 12173 B13R0.147 C=CC(O)CNCCCOCCCO 34a_100011310245_100000730141 [0,2,0,0,0,0|1,0,0]=3 12174 B13R0.147 C=CC(O)CNCCCOCCOC 2230a_100000206027_100000730141 [0,2,0,0,0,0|2,0,0]=4 12175 B13R0.147 C=CC(O)CNCCCOCCOC 34a_100000206027_100000730141 [0,2,0,0,0,0|2,0,0]=4 12176 B13R0.147 C=CC(O)COCCCCCCCBr 34a_100000760002_100000730141 [0,2,0,0,0,0|1,0,0]=3 12177 B13R0.147 C=CC(O)COCCCCCCCBr 7a_100000760002_100000730141 [0,2,0,0,0,0|1,0,0]=3 12178 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 12179 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 12180 B13R0.147 C=CC(O)COCCCCCCCN 34a_100011996573_100000730141 [0,2,0,0,0,0|1,0,0]=3 12181 B13R0.147 C=CC(O)COCCCCCCOC 34a_200012092642_100000730141 [0,2,0,0,0,0|1,0,0]=3 12182 B13R0.147 C=CC(O)COCCCCCCOC 7a_200012092642_100000730141 [0,2,0,0,0,0|1,0,0]=3 12183 B13R0.147 C=CC(O)COCCCOCCCC 34a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 12184 B13R0.147 C=CC(O)COCCCOCCCC 7a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 12185 B13R0.147 C=CC(O)COCCCOCCCN 34a_100011310245_100000730141 [0,2,0,0,0,0|2,0,0]=4 12186 B13R0.147 C=CC(O)COCCNCCCCC 34a_100000224656_100000730141 [0,2,0,0,0,0|2,0,0]=4 12187 B13R0.147 C=CC(O)COCCOCCCCC 34a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 12188 B13R0.147 C=CC(O)COCCOCCCCC 7a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 12189 B13R0.147 C=CC(O)CSCCCCCCC#N 62a_100000730141_100009813337 [0,2,0,0,0,0|1,0,1]=4 12190 B13R0.147 C=CC(O)CSCCCCCCC#N 62a_100009813337_100000730141 [0,2,0,0,0,0|1,0,1]=4 12191 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,0]=3 12192 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,0]=3 12193 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000730141_100000760002 [0,2,0,0,0,0|0,0,0]=2 12194 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000760002_100000730141 [0,2,0,0,0,0|0,0,0]=2 12195 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100000730141_100011998445 [0,2,0,0,0,0|1,0,0]=3 12196 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100011998445_100000730141 [0,2,0,0,0,0|1,0,0]=3 12197 B13R0.147 C=CC(O)CSCCCOCCOC 62a_100000730141_100011216529 [0,2,0,0,0,0|2,0,0]=4 12198 B13R0.147 C=CC(O)CSCCCOCCOC 62a_100011216529_100000730141 [0,2,0,0,0,0|2,0,0]=4 12199 B13R0.147 C=CCCC/C=C/COCC(O)CO 34a_200016268473_100011219619 [0,2,0,0,0,0|0,0,2]=4 12200 B13R0.147 C=CCCC/C=C/COCC(O)CO 7a_200016268473_100011219619 [0,2,0,0,0,0|0,0,2]=4 12201 B13R0.147 C=CCCC/C=C/COC[C@@H](C)CO 34a_200016268473_100000059175 [0,2,0,0,0,0|0,0,2]=4 12202 B13R0.147 C=CCCC/C=C/COC[C@@H](C)CO 7a_200016268473_100000059175 [0,2,0,0,0,0|0,0,2]=4 12203 B13R0.147 C=CCCC/C=C/COC[C@@H](O)CO 34a_200016268473_100009815848 [0,2,0,0,0,0|0,0,2]=4 12204 B13R0.147 C=CCCC/C=C/COC[C@@H](O)CO 7a_200016268473_100009815848 [0,2,0,0,0,0|0,0,2]=4 12205 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|0,0,2]=4 12206 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,0]=3 12207 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,0]=3 12208 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|1,0,0]=3 12209 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,0]=2 12210 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|0,0,2]=4 12211 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 12212 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 12213 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 12214 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,2,0,0,0,0|1,0,0]=3 12215 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,2,0,0,0,0|1,0,0]=3 12216 B13R0.147 C=CCCCCCCCNC(C)C#N 2230a_100000737613_100012355270 [0,2,0,0,0,0|1,0,1]=4 12217 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,2,0,0,0,0|1,0,0]=3 12218 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,2,0,0,0,0|0,0,0]=2 12219 B13R0.147 C=CCCCCCCCOC(C)C#N 34a_100011218135_100012355270 [0,2,0,0,0,0|1,0,1]=4 12220 B13R0.147 C=CCCCCCCCOC(C)C#N 7a_100000730831_100000703298 [0,2,0,0,0,0|1,0,1]=4 12221 B13R0.147 C=CCCCCCCCOC(C)C=C 34a_100000695699_100012355270 [0,2,0,0,0,0|1,0,1]=4 12222 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,2,0,0,0,0|1,0,0]=3 12223 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,2,0,0,0,0|1,0,0]=3 12224 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,2,0,0,0,0|1,0,0]=3 12225 B13R0.147 C=CCCCCCCCOC(C)CF 34a_100016041109_100012355270 [0,2,0,0,0,0|1,0,0]=3 12226 B13R0.147 C=CCCCCCCCOC(C)CF 7a_100016041109_100012355270 [0,2,0,0,0,0|1,0,0]=3 12227 B13R0.147 C=CCCCCCCCOC(C)CN 34a_100000210904_100012355270 [0,2,0,0,0,0|1,0,0]=3 12228 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,2,0,0,0,0|0,0,0]=2 12229 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,2,0,0,0,0|0,0,0]=2 12230 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100000703298_100012355270 [0,2,0,0,0,0|1,0,1]=4 12231 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100012355270_100000703298 [0,2,0,0,0,0|1,0,1]=4 12232 B13R0.147 C=CCCCCCCCSC(C)C=C 62a_100011215867_100012355270 [0,2,0,0,0,0|1,0,1]=4 12233 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [0,2,0,0,0,0|1,0,0]=3 12234 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [0,2,0,0,0,0|1,0,0]=3 12235 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,2,0,0,0,0|0,0,0]=2 12236 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,2,0,0,0,0|1,0,0]=3 12237 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,2,0,0,0,0|1,0,0]=3 12238 B13R0.147 C=CCCCCCCCSC(F)C#N 62a_100012355270_200000117898 [0,2,0,0,0,0|1,0,1]=4 12239 B13R0.147 C=CCCCCCCCSC(F)C#N 62a_200000117898_100012355270 [0,2,0,0,0,0|1,0,1]=4 12240 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,2,0,0,0,0|0,0,0]=2 12241 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,2,0,0,0,0|0,0,0]=2 12242 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,2,0,0,0,0|1,0,0]=3 12243 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,2,0,0,0,0|0,0,0]=2 12244 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,2,0,0,0,0|1,0,0]=3 12245 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,2,0,0,0,0|1,0,0]=3 12246 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,2,0,0,0,0|0,0,0]=2 12247 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,2,0,0,0,0|0,0,0]=2 12248 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|1,0,1]=4 12249 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|1,0,1]=4 12250 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|1,0,1]=4 12251 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|1,0,1]=4 12252 B13R0.147 C=CCCCCCCOCC(C)C=C 34a_100011215527_100011215473 [0,2,0,0,0,0|1,0,1]=4 12253 B13R0.147 C=CCCCCCCOCC(C)C=C 7a_100011215527_100011215473 [0,2,0,0,0,0|1,0,1]=4 12254 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,2,0,0,0,0|1,0,0]=3 12255 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,2,0,0,0,0|1,0,0]=3 12256 B13R0.147 C=CCCCCCCOCC(C)CN 34a_100000744482_100011215473 [0,2,0,0,0,0|1,0,0]=3 12257 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,2,0,0,0,0|1,0,0]=3 12258 B13R0.147 C=CCCCCCCOCC(Cl)CCl 34a_100000033668_100011215473 [0,2,0,0,0,0|1,0,0]=3 12259 B13R0.147 C=CCCCCCCOCC(O)C=C 34a_200011216477_100000730141 [0,2,0,0,0,0|1,0,0]=3 12260 B13R0.147 C=CCCCCCCOCC(O)C=C 7a_200011216477_100000730141 [0,2,0,0,0,0|1,0,0]=3 12261 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,2,0,0,0,0|1,0,0]=3 12262 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,2,0,0,0,0|1,0,0]=3 12263 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,2,0,0,0,0|0,0,0]=2 12264 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,2,0,0,0,0|0,0,0]=2 12265 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,2,0,0,0,0|1,0,0]=3 12266 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,2,0,0,0,0|1,0,0]=3 12267 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,2,0,0,0,0|1,0,0]=3 12268 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,2,0,0,0,0|0,0,0]=2 12269 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,2,0,0,0,0|0,0,0]=2 12270 B13R0.147 C=CCCCCCCOC[C@@H](N)C=C 34a_100016989147_100011215473 [0,2,0,0,0,0|1,0,1]=4 12271 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,2,0,0,0,0|1,0,0]=3 12272 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,2,0,0,0,0|1,0,0]=3 12273 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,2,0,0,0,0|0,0,0]=2 12274 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,2,0,0,0,0|0,0,0]=2 12275 B13R0.147 C=CCCCCCCOC[C@H](F)CN 34a_100015665980_100011215473 [0,2,0,0,0,0|1,0,0]=3 12276 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|1,0,1]=4 12277 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|1,0,1]=4 12278 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|1,0,1]=4 12279 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|1,0,1]=4 12280 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,2,0,0,0,0|1,0,0]=3 12281 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,2,0,0,0,0|1,0,0]=3 12282 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100000730141_100011215473 [0,2,0,0,0,0|1,0,0]=3 12283 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100011215473_100000730141 [0,2,0,0,0,0|1,0,0]=3 12284 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,2,0,0,0,0|1,0,0]=3 12285 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,2,0,0,0,0|1,0,0]=3 12286 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,2,0,0,0,0|0,0,0]=2 12287 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,2,0,0,0,0|0,0,0]=2 12288 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,2,0,0,0,0|1,0,0]=3 12289 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,2,0,0,0,0|1,0,0]=3 12290 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,2,0,0,0,0|0,0,0]=2 12291 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,2,0,0,0,0|0,0,0]=2 12292 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,2,0,0,0,0|1,0,0]=3 12293 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,2,0,0,0,0|1,0,0]=3 12294 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,2,0,0,0,0|0,0,0]=2 12295 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,2,0,0,0,0|0,0,0]=2 12296 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,2,0,0,0,0|1,0,0]=3 12297 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,2,0,0,0,0|0,0,0]=2 12298 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,2,0,0,0,0|0,0,0]=2 12299 B13R0.147 C=CCCCCCOCCC(=NO)N 34a_100000749954_100000700193 [0,2,0,0,0,0|1,0,1]=4 12300 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|1,0,1]=4 12301 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|1,0,1]=4 12302 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,2,0,0,0,0|1,0,0]=3 12303 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,2,0,0,0,0|1,0,0]=3 12304 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|1,0,1]=4 12305 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|1,0,1]=4 12306 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|1,0,1]=4 12307 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|1,0,1]=4 12308 B13R0.147 C=CCCCCNCCCN(C)CC 2230a_100000703577_100015186262 [0,2,0,0,0,0|2,0,0]=4 12309 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|1,0,1]=4 12310 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|1,0,1]=4 12311 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,2,0,0,0,0|1,0,0]=3 12312 B13R0.147 C=CCCCCOCCCN(C)CC 7a_100000766645_100015186262 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.147 C=CCCCCOCCC[C@@H](C)CN 34a_100160569302_100011215482 [0,2,0,0,0,0|1,0,0]=3 12314 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|1,0,1]=4 12315 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|1,0,1]=4 12316 B13R0.147 C=CCCCCSCCCN(C)CC 62a_100011215482_100015186262 [0,2,0,0,0,0|2,0,0]=4 12317 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|1,0,1]=4 12318 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|1,0,1]=4 12319 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|1,0,1]=4 12320 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|1,0,1]=4 12321 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|1,0,1]=4 12322 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|1,0,1]=4 12323 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|1,0,1]=4 12324 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|1,0,1]=4 12325 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|1,0,1]=4 12326 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|1,0,1]=4 12327 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|1,0,1]=4 12328 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|1,0,1]=4 12329 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,2,0,0,0,0|1,0,0]=3 12330 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|1,0,1]=4 12331 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|1,0,1]=4 12332 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|1,0,1]=4 12333 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|1,0,1]=4 12334 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|1,0,1]=4 12335 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|1,0,1]=4 12336 B13R0.147 C=CCOCCOCCOC(C)CO 34a_100000065479_100012180447 [0,2,0,0,0,0|2,0,0]=4 12337 B13R0.147 C=CCOCCOCCOC(C)CO 7a_100000065479_100012180447 [0,2,0,0,0,0|2,0,0]=4 12338 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|1,0,1]=4 12339 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|1,0,1]=4 12340 B13R0.147 C=COCCOCCOCC(O)CO 34a_100000039918_100011219619 [0,2,0,0,0,0|2,0,0]=4 12341 B13R0.147 C=COCCOCCOCC(O)CO 7a_100000039918_100011219619 [0,2,0,0,0,0|2,0,0]=4 12342 B13R0.147 C=COCCOCCOC[C@@H](C)CO 34a_100000039918_100000059175 [0,2,0,0,0,0|2,0,0]=4 12343 B13R0.147 C=COCCOCCOC[C@@H](C)CO 7a_100000039918_100000059175 [0,2,0,0,0,0|2,0,0]=4 12344 B13R0.147 C=COCCOCCOC[C@@H](O)CO 34a_100000039918_100009815848 [0,2,0,0,0,0|2,0,0]=4 12345 B13R0.147 C=COCCOCCOC[C@@H](O)CO 7a_100000039918_100009815848 [0,2,0,0,0,0|2,0,0]=4 12346 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,0]=3 12347 B13R0.147 C=C[C@H](N)COCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|0,0,0]=2 12348 B13R0.147 C=C[C@H](N)COCCCCCCOC 34a_100016989147_100011998445 [0,2,0,0,0,0|1,0,0]=3 12349 B13R0.147 C=C[C@H](N)COCCCOCCOC 34a_100016989147_100011216529 [0,2,0,0,0,0|2,0,0]=4 12350 B13R0.147 CC(C#N)NCCCCCCCCO 2230a_100000737613_100000033203 [0,2,0,0,0,0|1,0,1]=4 12351 B13R0.147 CC(C#N)NCCCCCCCCO 2230a_102515433106_100000184139 [0,2,0,0,0,0|1,0,1]=4 12352 B13R0.147 CC(C#N)OCCCCCCCCO 34a_100011218135_100000033203 [0,2,0,0,0,0|1,0,1]=4 12353 B13R0.147 CC(C#N)SCCCCCCCCO 62a_100000033203_100000703298 [0,2,0,0,0,0|1,0,1]=4 12354 B13R0.147 CC(C#N)SCCCCCCCCO 62a_100000703298_100000033203 [0,2,0,0,0,0|1,0,1]=4 12355 B13R0.147 CC(CF)OCCCCCCCCO 34a_100016041109_100000033203 [0,2,0,0,0,0|1,0,1]=4 12356 B13R0.147 CC(CF)OCCCCCCCCO 7a_100016041109_100000033203 [0,2,0,0,0,0|1,0,1]=4 12357 B13R0.147 CC(CN)COCCCCCCCO 34a_100000744482_100000760002 [0,2,0,0,0,0|1,0,1]=4 12358 B13R0.147 CC(CN)OCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|1,0,1]=4 12359 B13R0.147 CC(CO)CCNCCCCCC#N 2230a_106354213184_100009813376 [0,2,0,0,0,0|1,0,1]=4 12360 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,2,0,0,0,0|1,0,0]=3 12361 B13R0.147 CC(CO)CCNCCCCCCF 2230a_106354213184_100015922095 [0,2,0,0,0,0|1,0,1]=4 12362 B13R0.147 CC(CO)CCNCCCCCCF 34a_106354213184_100015922095 [0,2,0,0,0,0|1,0,1]=4 12363 B13R0.147 CC(CO)CCNCCCCCCO 2230a_106354213184_100000766143 [0,2,0,0,0,0|1,0,1]=4 12364 B13R0.147 CC(CO)CCNCCCCCCO 34a_106354213184_100000766143 [0,2,0,0,0,0|1,0,1]=4 12365 B13R0.147 CC(CO)CNCCCCCCCO 34a_100000744482_100000760002 [0,2,0,0,0,0|1,0,1]=4 12366 B13R0.147 CC(CO)NCCCCCCCCO 2230a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 12367 B13R0.147 CC(CO)NCCCCCCCCO 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 12368 B13R0.147 CC(CO)OCCCCCCCCBr 34a_100009813846_100012180447 [0,2,0,0,0,0|1,0,1]=4 12369 B13R0.147 CC(CO)OCCCCCCCCBr 7a_100009813846_100012180447 [0,2,0,0,0,0|1,0,1]=4 12370 B13R0.147 CC(CO)OCCCCCCCCCl 34a_100000033203_100012180447 [0,2,0,0,0,0|1,0,1]=4 12371 B13R0.147 CC(CO)OCCCCCCCCCl 7a_100000033203_100012180447 [0,2,0,0,0,0|1,0,1]=4 12372 B13R0.147 CC(CO)OCCCCCCCCN 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 12373 B13R0.147 CC(CO)SCCCCCCCCO 62a_100012180447_100000033203 [0,2,0,0,0,0|1,0,1]=4 12374 B13R0.147 CC=CCOCCCCCC(C)CC 7a_200000035636_100000070051 [0,2,0,0,0,0|2,0,0]=4 12375 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,1]=4 12376 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|0,0,1]=3 12377 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|1,0,1]=4 12378 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|1,0,1]=4 12379 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|1,0,1]=4 12380 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|1,0,1]=4 12381 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [0,2,0,0,0,0|0,0,2]=4 12382 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,2,0,0,0,0|2,0,0]=4 12383 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [0,2,0,0,0,0|0,0,2]=4 12384 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,2,0,0,0,0|2,0,0]=4 12385 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [0,2,0,0,0,0|0,0,2]=4 12386 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,2,0,0,0,0|2,0,0]=4 12387 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [0,2,0,0,0,0|0,0,2]=4 12388 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 12389 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [0,2,0,0,0,0|0,0,2]=4 12390 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [0,2,0,0,0,0|0,0,2]=4 12391 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 12392 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [0,2,0,0,0,0|0,0,2]=4 12393 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [0,2,0,0,0,0|0,0,2]=4 12394 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [0,2,0,0,0,0|0,0,2]=4 12395 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [0,2,0,0,0,0|0,0,2]=4 12396 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [0,2,0,0,0,0|0,0,2]=4 12397 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,2,0,0,0,0|0,0,2]=4 12398 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [0,2,0,0,0,0|0,0,2]=4 12399 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [0,2,0,0,0,0|0,0,2]=4 12400 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [0,2,0,0,0,0|0,0,2]=4 12401 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 12402 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 12403 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [0,2,0,0,0,0|0,0,2]=4 12404 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [0,2,0,0,0,0|0,0,2]=4 12405 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,1]=4 12406 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,1]=4 12407 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|1,0,1]=4 12408 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,2]=4 12409 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|1,0,1]=4 12410 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|1,0,1]=4 12411 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|1,0,1]=4 12412 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 12413 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 12414 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 12415 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 12416 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 12417 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 12418 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|0,0,2]=4 12419 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 12420 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 12421 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|0,0,2]=4 12422 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|0,0,2]=4 12423 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|0,0,2]=4 12424 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 12425 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 12426 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 12427 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 12428 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|0,0,2]=4 12429 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 12430 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 12431 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,2]=4 12432 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 12433 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 12434 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 12435 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 12436 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 12437 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 12438 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,2]=4 12439 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,2]=4 12440 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|0,0,2]=4 12441 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|0,0,2]=4 12442 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,2]=4 12443 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,2]=4 12444 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|0,0,2]=4 12445 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|0,0,2]=4 12446 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 12447 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 12448 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 12449 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 12450 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [0,2,0,0,0,0|0,0,2]=4 12451 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [0,2,0,0,0,0|0,0,2]=4 12452 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [0,2,0,0,0,0|0,0,2]=4 12453 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,1]=4 12454 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 12455 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 12456 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|0,0,1]=3 12457 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|1,0,1]=4 12458 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|1,0,1]=4 12459 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|1,0,1]=4 12460 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,1]=4 12461 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|1,0,1]=4 12462 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|1,0,1]=4 12463 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|1,0,1]=4 12464 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|1,0,1]=4 12465 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,1]=4 12466 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|1,0,1]=4 12467 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|1,0,1]=4 12468 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|1,0,1]=4 12469 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|1,0,1]=4 12470 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|1,0,1]=4 12471 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|1,0,1]=4 12472 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,1]=4 12473 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|1,0,1]=4 12474 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|1,0,1]=4 12475 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|1,0,1]=4 12476 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|1,0,1]=4 12477 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|1,0,1]=4 12478 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|1,0,1]=4 12479 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|1,0,1]=4 12480 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|1,0,1]=4 12481 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|1,0,1]=4 12482 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|1,0,1]=4 12483 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|1,0,1]=4 12484 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 12485 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 12486 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|1,0,1]=4 12487 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|1,0,1]=4 12488 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|1,0,1]=4 12489 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|1,0,1]=4 12490 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|1,0,1]=4 12491 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|1,0,1]=4 12492 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 12493 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 12494 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|1,0,1]=4 12495 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|1,0,1]=4 12496 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|1,0,1]=4 12497 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|1,0,1]=4 12498 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,1]=4 12499 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 12500 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 12501 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,1]=4 12502 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,1]=4 12503 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 12504 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,1]=4 12505 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 12506 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 12507 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 12508 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,1]=4 12509 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 12510 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,2,0,0,0,0|2,0,0]=4 12511 B13R0.147 COC(C)CCOCCCCCCO 7a_100000764861_100000766143 [0,2,0,0,0,0|1,0,1]=4 12512 B13R0.147 COC(C)COCCCCCCCO 34a_100000690652_100000760002 [0,2,0,0,0,0|1,0,1]=4 12513 B13R0.147 COC(C)SCCCCCCCCO 62a_100000033203_100009879195 [0,2,0,0,0,0|1,0,1]=4 12514 B13R0.147 COC(C)SCCCCCCCCO 62a_100009879195_100000033203 [0,2,0,0,0,0|1,0,1]=4 12515 B13R0.147 COCCCCCCNCC(C)CO 34a_100000744482_100011998445 [0,2,0,0,0,0|1,0,1]=4 12516 B13R0.147 COCCCCCCNC[C@@H](F)CO 34a_100015665980_100011998445 [0,2,0,0,0,0|1,0,1]=4 12517 B13R0.147 COCCCCCCNC[C@H](O)CO 2230a_100020644852_100011998445 [0,2,0,0,0,0|1,0,1]=4 12518 B13R0.147 COCCCCCCOCC(O)CO 34a_200012092642_100011219619 [0,2,0,0,0,0|1,0,1]=4 12519 B13R0.147 COCCCCCCOCC(O)CO 7a_200012092642_100011219619 [0,2,0,0,0,0|1,0,1]=4 12520 B13R0.147 COCCCCCCOC[C@@H](C)CO 34a_200012092642_100000059175 [0,2,0,0,0,0|1,0,1]=4 12521 B13R0.147 COCCCCCCOC[C@@H](C)CO 7a_200012092642_100000059175 [0,2,0,0,0,0|1,0,1]=4 12522 B13R0.147 COCCCCCCOC[C@@H](O)CO 34a_200012092642_100009815848 [0,2,0,0,0,0|1,0,1]=4 12523 B13R0.147 COCCCCCCOC[C@@H](O)CO 7a_200012092642_100009815848 [0,2,0,0,0,0|1,0,1]=4 12524 B13R0.147 COCCCCCCSCC(O)CO 62a_100011219619_100011998445 [0,2,0,0,0,0|1,0,1]=4 12525 B13R0.147 COCCCCCCSCC(O)CO 62a_100011998445_100011219619 [0,2,0,0,0,0|1,0,1]=4 12526 B13R0.147 COCCCCCCSC[C@@H](C)CO 62a_100000059175_100011998445 [0,2,0,0,0,0|1,0,1]=4 12527 B13R0.147 COCCCCCCSC[C@@H](C)CO 62a_100011998445_100000059175 [0,2,0,0,0,0|1,0,1]=4 12528 B13R0.147 COCCCCCCSC[C@@H](O)CO 62a_100009815848_100011998445 [0,2,0,0,0,0|1,0,1]=4 12529 B13R0.147 COCCCCCCSC[C@@H](O)CO 62a_100011998445_100009815848 [0,2,0,0,0,0|1,0,1]=4 12530 B13R0.147 CO[C@H](C)CNCCCCCCCO 2230a_100020591295_100000760002 [0,2,0,0,0,0|1,0,1]=4 12531 B13R0.147 C[C@@H](CN)CCCOCCCCCO 34a_100160569302_100000746330 [0,2,0,0,0,0|1,0,1]=4 12532 B13R0.147 C[C@@H](CO)CNCCCCCCCO 2230a_100011996573_100000059175 [0,2,0,0,0,0|1,0,1]=4 12533 B13R0.147 C[C@@H](CO)CNCCCCCCCO 34a_100011996573_100000059175 [0,2,0,0,0,0|1,0,1]=4 12534 B13R0.147 C[C@@H](CO)COCCCCCCCBr 34a_100000760002_100000059175 [0,2,0,0,0,0|1,0,1]=4 12535 B13R0.147 C[C@@H](CO)COCCCCCCCBr 7a_100000760002_100000059175 [0,2,0,0,0,0|1,0,1]=4 12536 B13R0.147 C[C@@H](CO)COCCCCCCCN 34a_100011996573_100000059175 [0,2,0,0,0,0|1,0,1]=4 12537 B13R0.147 C[C@@H](CO)CSCCCCCCC#N 62a_100000059175_100009813337 [0,2,0,0,0,0|1,0,1]=4 12538 B13R0.147 C[C@@H](CO)CSCCCCCCC#N 62a_100009813337_100000059175 [0,2,0,0,0,0|1,0,1]=4 12539 B13R0.147 C[C@@H](CO)CSCCCCCCCO 62a_100000059175_100000760002 [0,2,0,0,0,0|1,0,1]=4 12540 B13R0.147 C[C@@H](CO)CSCCCCCCCO 62a_100000760002_100000059175 [0,2,0,0,0,0|1,0,1]=4 12541 B13R0.147 C[C@H](CO)NCCCCCCCCO 2230a_100000737577_100000033203 [0,2,0,0,0,0|1,0,1]=4 12542 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100000033203_100016084084 [0,2,0,0,0,0|1,0,1]=4 12543 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100016084084_100000033203 [0,2,0,0,0,0|1,0,1]=4 12544 B13R0.147 N#CC(F)SCCCCCCCCO 62a_100000033203_200000117898 [0,2,0,0,0,0|1,0,1]=4 12545 B13R0.147 N#CC(F)SCCCCCCCCO 62a_200000117898_100000033203 [0,2,0,0,0,0|1,0,1]=4 12546 B13R0.147 N#CCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813337 [0,2,0,0,0,0|1,0,1]=4 12547 B13R0.147 N#CCCCCCCSCC(O)CO 62a_100009813337_100011219619 [0,2,0,0,0,0|1,0,1]=4 12548 B13R0.147 N#CCCCCCCSCC(O)CO 62a_100011219619_100009813337 [0,2,0,0,0,0|1,0,1]=4 12549 B13R0.147 N#CCCCCCCSC[C@@H](O)CO 62a_100009813337_100009815848 [0,2,0,0,0,0|1,0,1]=4 12550 B13R0.147 N#CCCCCCCSC[C@@H](O)CO 62a_100009815848_100009813337 [0,2,0,0,0,0|1,0,1]=4 12551 B13R0.147 NC(=NO)CCOCCCCCCO 34a_100000749954_100000766143 [0,2,0,0,0,0|2,0,0]=4 12552 B13R0.147 NCCCCCCCOCC(O)CO 34a_100011996573_100011219619 [0,2,0,0,0,0|1,0,1]=4 12553 B13R0.147 NCCCCCCCOC[C@@H](O)CO 34a_100011996573_100009815848 [0,2,0,0,0,0|1,0,1]=4 12554 B13R0.147 NC[C@@H](F)COCCCCCCCO 34a_100015665980_100000760002 [0,2,0,0,0,0|1,0,1]=4 12555 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,2,0,0,0,0|2,0,0]=4 12556 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,1]=4 12557 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,1]=3 12558 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,1]=4 12559 B13R0.147 OCC(O)COCCCCCCCBr 34a_100000760002_100011219619 [0,2,0,0,0,0|1,0,1]=4 12560 B13R0.147 OCC(O)COCCCCCCCBr 7a_100000760002_100011219619 [0,2,0,0,0,0|1,0,1]=4 12561 B13R0.147 OCCCCCCCNCC(O)CO 2230a_100011996573_100011219619 [0,2,0,0,0,0|1,0,1]=4 12562 B13R0.147 OCCCCCCCNCC(O)CO 34a_100011996573_100011219619 [0,2,0,0,0,0|1,0,1]=4 12563 B13R0.147 OCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000760002 [0,2,0,0,0,0|1,0,1]=4 12564 B13R0.147 OCCCCCCCNC[C@@H](O)CF 2230a_100011996573_100015614560 [0,2,0,0,0,0|1,0,1]=4 12565 B13R0.147 OCCCCCCCNC[C@@H](O)CF 34a_100011996573_100015614560 [0,2,0,0,0,0|1,0,1]=4 12566 B13R0.147 OCCCCCCCNC[C@@H](O)CO 2230a_100011996573_100009815848 [0,2,0,0,0,0|1,0,1]=4 12567 B13R0.147 OCCCCCCCNC[C@@H](O)CO 34a_100011996573_100009815848 [0,2,0,0,0,0|1,0,1]=4 12568 B13R0.147 OCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000760002 [0,2,0,0,0,0|1,0,1]=4 12569 B13R0.147 OCCCCCCCOCC(Cl)CCl 34a_100000033668_100000760002 [0,2,0,0,0,0|1,0,1]=4 12570 B13R0.147 OCCCCCCCSCC(O)CO 62a_100000760002_100011219619 [0,2,0,0,0,0|1,0,1]=4 12571 B13R0.147 OCCCCCCCSCC(O)CO 62a_100011219619_100000760002 [0,2,0,0,0,0|1,0,1]=4 12572 B13R0.147 OCCCCCCCSC[C@@H](O)CF 62a_100000760002_100015614560 [0,2,0,0,0,0|1,0,1]=4 12573 B13R0.147 OCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000760002 [0,2,0,0,0,0|1,0,1]=4 12574 B13R0.147 OCCCCCCCSC[C@@H](O)CO 62a_100000760002_100009815848 [0,2,0,0,0,0|1,0,1]=4 12575 B13R0.147 OCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000760002 [0,2,0,0,0,0|1,0,1]=4 12576 B13R0.147 OC[C@H](O)COCCCCCCCBr 34a_100000760002_100009815848 [0,2,0,0,0,0|1,0,1]=4 12577 B13R0.147 OC[C@H](O)COCCCCCCCBr 7a_100000760002_100009815848 [0,2,0,0,0,0|1,0,1]=4 12578 B13R0.165 C#CCCCCC(=O)CCCCC=C 1458a_100000696528_100011215482 [0,2,0,0,0,0|1,0,1]=4 12579 B13R0.165 C#CCCCCC(=O)CCCCC=C 1458a_100011215552_100010269958 [0,2,0,0,0,0|1,0,1]=4 12580 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100000696528_100000746330 [0,2,0,0,0,0|0,0,2]=4 12581 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100102619762_100010269958 [0,2,0,0,0,0|0,0,2]=4 12582 B13R0.165 C#CCCCCN(C)CCCCC=C 2230a_100012000471_100010269958 [0,2,0,0,0,0|1,0,1]=4 12583 B13R0.165 C#CCCCCN(C)CCCCC=C 269982a_100012000471_100010269958 [0,2,0,0,0,0|1,0,1]=4 12584 B13R0.165 C#CCCCCN(C)CCCCCO 2230a_100000722520_100010269958 [0,2,0,0,0,0|0,0,2]=4 12585 B13R0.165 C#CCCCCN(C)CCCCCO 269982a_100000722520_100010269958 [0,2,0,0,0,0|0,0,2]=4 12586 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [0,2,0,0,0,0|2,0,0]=4 12587 B13R0.165 C=CCCCCC(=O)CCCCC#N 1458a_100011215552_100000211819 [0,2,0,0,0,0|1,0,1]=4 12588 B13R0.165 C=CCCCCC(=O)CCCCC=C 1458a_100011215552_100011215482 [0,2,0,0,0,0|1,0,1]=4 12589 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,0]=3 12590 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,0]=3 12591 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,2,0,0,0,0|1,0,0]=3 12592 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|0,0,0]=2 12593 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|0,0,0]=2 12594 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,2,0,0,0,0|0,0,1]=3 12595 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,2,0,0,0,0|1,0,1]=4 12596 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,2,0,0,0,0|1,0,1]=4 12597 B13R0.165 C=CCCCCC(=O)CCOCCO 1458a_100011215552_100011215305 [0,2,0,0,0,0|0,0,1]=3 12598 B13R0.165 C=CCCCCC(=O)CCOCCO 1458a_100011229844_100011215482 [0,2,0,0,0,0|0,0,1]=3 12599 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,2,0,0,0,0|1,0,1]=4 12600 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,2,0,0,0,0|1,0,1]=4 12601 B13R0.165 C=CCCCCC(=O)COCCOC 1458a_100000211095_100011215482 [0,2,0,0,0,0|1,0,1]=4 12602 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,2,0,0,0,0|1,0,1]=4 12603 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 12604 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 12605 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 12606 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 12607 B13R0.165 C=CCCCCC(=O)NCCCCO 240690a_100000750430_100011215552 [0,2,0,0,0,0|0,0,1]=3 12608 B13R0.165 C=CCCCCC(=O)NCCCCO 527a_100000750430_100011215552 [0,2,0,0,0,0|0,0,1]=3 12609 B13R0.165 C=CCCCCC(=O)NCCCOC 1626a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 12610 B13R0.165 C=CCCCCC(=O)NCCCOC 240690a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 12611 B13R0.165 C=CCCCCC(=O)NCCCOC 527a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 12612 B13R0.165 C=CCCCCN(C)CCCCC#N 2230a_100012000471_100000211819 [0,2,0,0,0,0|1,0,1]=4 12613 B13R0.165 C=CCCCCN(C)CCCCC#N 269982a_100012000471_100011219923 [0,2,0,0,0,0|1,0,1]=4 12614 B13R0.165 C=CCCCCN(C)CCCCC=C 2230a_100012000471_100011215482 [0,2,0,0,0,0|1,0,1]=4 12615 B13R0.165 C=CCCCCN(C)CCCCC=C 269982a_100012000471_100011215482 [0,2,0,0,0,0|1,0,1]=4 12616 B13R0.165 C=CCCCCN(C)CCCCC=O 2230a_100012000471_100000139335 [0,2,0,0,0,0|0,0,2]=4 12617 B13R0.165 C=CCCCCN(C)CCCCC=O 269982a_100012000471_100000139335 [0,2,0,0,0,0|0,0,2]=4 12618 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,2,0,0,0,0|1,0,0]=3 12619 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,2,0,0,0,0|1,0,0]=3 12620 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,2,0,0,0,0|1,0,0]=3 12621 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,2,0,0,0,0|1,0,0]=3 12622 B13R0.165 C=CCCCCN(C)CCCCCF 2230a_100012000471_100000729378 [0,2,0,0,0,0|1,0,0]=3 12623 B13R0.165 C=CCCCCN(C)CCCCCF 269982a_100012000471_100000729378 [0,2,0,0,0,0|1,0,0]=3 12624 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100000722520_100011215482 [0,2,0,0,0,0|0,0,0]=2 12625 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100012000471_100000746330 [0,2,0,0,0,0|0,0,0]=2 12626 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100000722520_100011215482 [0,2,0,0,0,0|0,0,0]=2 12627 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100012000471_100000746330 [0,2,0,0,0,0|0,0,0]=2 12628 B13R0.165 C=CCCCCN(C)CCCCOC 2230a_100012000471_100000730899 [0,2,0,0,0,0|1,0,0]=3 12629 B13R0.165 C=CCCCCN(C)CCCCOC 269982a_100012000471_100000730899 [0,2,0,0,0,0|1,0,0]=3 12630 B13R0.165 C=CCCCCN(C)CCCOCC 2230a_100012000471_100012232248 [0,2,0,0,0,0|2,0,0]=4 12631 B13R0.165 C=CCCCCN(C)CCCOCC 269982a_100012000471_100012232248 [0,2,0,0,0,0|2,0,0]=4 12632 B13R0.165 C=CCCCCN(C)CCOCCC 2230a_100012000471_100011215938 [0,2,0,0,0,0|2,0,0]=4 12633 B13R0.165 C=CCCCCN(C)CCOCCC 269982a_100012000471_100011215938 [0,2,0,0,0,0|2,0,0]=4 12634 B13R0.165 C=CCCCCN(C)CCOCCO 2230a_100000228057_100011215482 [0,2,0,0,0,0|1,0,0]=3 12635 B13R0.165 C=CCCCCN(C)CCOCCO 2230a_100012000471_100011215305 [0,2,0,0,0,0|1,0,0]=3 12636 B13R0.165 C=CCCCCN(C)CCOCCO 269982a_100000228057_100011215482 [0,2,0,0,0,0|1,0,0]=3 12637 B13R0.165 C=CCCCCN(C)CCOCCO 269982a_100012000471_100011215305 [0,2,0,0,0,0|1,0,0]=3 12638 B13R0.165 C=CCCCCN(C)COCCCC 2230a_100012000471_100011995733 [0,2,0,0,0,0|2,0,0]=4 12639 B13R0.165 C=CCCCCN(C)COCCCC 269982a_100012000471_100011995733 [0,2,0,0,0,0|2,0,0]=4 12640 B13R0.165 C=CCCCCN(C)COCCOC 2230a_100012000471_100000231047 [0,2,0,0,0,0|2,0,0]=4 12641 B13R0.165 C=CCCCCN(C)COCCOC 269982a_100012000471_100000231047 [0,2,0,0,0,0|2,0,0]=4 12642 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 12643 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 12644 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 12645 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 12646 B13R0.165 C=CCCCNC(=O)CCCCCO 240690a_100000700776_100102619762 [0,2,0,0,0,0|0,0,1]=3 12647 B13R0.165 C=CCCCNC(=O)CCOCCO 1626a_100000700776_100011229844 [0,2,0,0,0,0|1,0,1]=4 12648 B13R0.165 C=CCCCNC(=O)CCOCCO 240690a_100000700776_100011229844 [0,2,0,0,0,0|1,0,1]=4 12649 B13R0.165 C=CCCCNC(=O)NCCCCO 2708a_100000700776_100000750430 [0,2,0,0,0,0|1,0,1]=4 12650 B13R0.165 C=CCCCNC(=O)NCCCCO 2708a_100000750430_100000700776 [0,2,0,0,0,0|1,0,1]=4 12651 B13R0.165 C=CCCCNC(=O)NCCCCO 273464a_100000700776_100000750430 [0,2,0,0,0,0|1,0,1]=4 12652 B13R0.165 C=CCCCNC(=O)NCCCCO 273464a_100000750430_100000700776 [0,2,0,0,0,0|1,0,1]=4 12653 B13R0.165 C=CCCCNC(=O)NCCCCO 512a_100000700776_100000750430 [0,2,0,0,0,0|1,0,1]=4 12654 B13R0.165 C=CCCCNC(=O)NCCCCO 512a_100000750430_100000700776 [0,2,0,0,0,0|1,0,1]=4 12655 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,2,0,0,0,0|1,0,0]=3 12656 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,2,0,0,0,0|1,0,0]=3 12657 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,2,0,0,0,0|1,0,0]=3 12658 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,2,0,0,0,0|1,0,0]=3 12659 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,2,0,0,0,0|1,0,0]=3 12660 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,2,0,0,0,0|1,0,0]=3 12661 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,2,0,0,0,0|1,0,0]=3 12662 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,2,0,0,0,0|1,0,0]=3 12663 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,2,0,0,0,0|1,0,0]=3 12664 B13R0.165 C=CCCCOC(C)COCCCC 34a_100011217071_100000757094 [0,2,0,0,0,0|2,0,0]=4 12665 B13R0.165 C=CCCCOC(C)COCCCC 7a_100011217071_100000757094 [0,2,0,0,0,0|2,0,0]=4 12666 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [0,2,0,0,0,0|1,0,0]=3 12667 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [0,2,0,0,0,0|1,0,0]=3 12668 B13R0.165 C=CCOCCC(=O)CCCCCC 1458a_200011217002_100000210757 [0,2,0,0,0,0|1,0,1]=4 12669 B13R0.165 C=CCOCCC(=O)CCCCCF 1458a_200011217002_100000729378 [0,2,0,0,0,0|1,0,1]=4 12670 B13R0.165 C=CCOCCC(=O)CCCCCO 1458a_200011217002_100000746330 [0,2,0,0,0,0|0,0,1]=3 12671 B13R0.165 C=CCOCCC(=O)CCCCOC 1458a_200011217002_100000755781 [0,2,0,0,0,0|1,0,1]=4 12672 B13R0.165 C=CCOCCC(=O)CCOCCO 1458a_200011217002_100011215305 [0,2,0,0,0,0|1,0,1]=4 12673 B13R0.165 C=CCOCCC(=O)NCCCCO 240690a_100000750430_200011217002 [0,2,0,0,0,0|1,0,1]=4 12674 B13R0.165 C=CCOCCC(=O)NCCCCO 527a_100000750430_200011217002 [0,2,0,0,0,0|1,0,1]=4 12675 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,2,0,0,0,0|1,0,0]=3 12676 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,2,0,0,0,0|1,0,0]=3 12677 B13R0.165 C=COCCNC(C)CCCCCC 2230a_100000210919_100000039644 [0,2,0,0,0,0|2,0,0]=4 12678 B13R0.165 C=COCCNC(C)CCCCCC 34a_100000210919_100000039644 [0,2,0,0,0,0|2,0,0]=4 12679 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [0,2,0,0,0,0|2,0,0]=4 12680 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [0,2,0,0,0,0|2,0,0]=4 12681 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [0,2,0,0,0,0|2,0,0]=4 12682 B13R0.165 C=COCCSC(C)CCCCCC 62a_100000039644_100011215978 [0,2,0,0,0,0|2,0,0]=4 12683 B13R0.165 C=COCCSC(C)CCCCCC 62a_100011215978_100000039644 [0,2,0,0,0,0|2,0,0]=4 12684 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,2,0,0,0,0|0,0,2]=4 12685 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,2,0,0,0,0|0,0,2]=4 12686 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,2,0,0,0,0|2,0,0]=4 12687 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,2,0,0,0,0|2,0,0]=4 12688 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 12689 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 12690 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,2,0,0,0,0|2,0,0]=4 12691 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [0,2,0,0,0,0|0,0,2]=4 12692 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 12693 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [0,2,0,0,0,0|0,0,2]=4 12694 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [0,2,0,0,0,0|0,0,2]=4 12695 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 12696 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,2,0,0,0,0|2,0,0]=4 12697 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,2,0,0,0,0|0,0,2]=4 12698 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,2,0,0,0,0|0,0,2]=4 12699 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,2,0,0,0,0|2,0,0]=4 12700 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,2,0,0,0,0|2,0,0]=4 12701 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [0,2,0,0,0,0|0,0,2]=4 12702 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [0,2,0,0,0,0|0,0,2]=4 12703 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,2,0,0,0,0|2,0,0]=4 12704 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,2,0,0,0,0|2,0,0]=4 12705 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [0,2,0,0,0,0|0,0,2]=4 12706 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 12707 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [0,2,0,0,0,0|0,0,2]=4 12708 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 12709 B13R0.165 CN(CCCCC#N)CCCCCO 2230a_100000722520_100000211819 [0,2,0,0,0,0|1,0,1]=4 12710 B13R0.165 CN(CCCCC#N)CCCCCO 269982a_100000722520_100011219923 [0,2,0,0,0,0|1,0,1]=4 12711 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,2,0,0,0,0|1,0,0]=3 12712 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,2,0,0,0,0|1,0,0]=3 12713 B13R0.165 CN(CCCCC=O)CCOCCO 2230a_100000228057_100000139335 [0,2,0,0,0,0|2,0,0]=4 12714 B13R0.165 CN(CCCCC=O)CCOCCO 269982a_100000228057_100000139335 [0,2,0,0,0,0|2,0,0]=4 12715 B13R0.165 CN(CCCCCO)CCCCCF 2230a_100000722520_100000729378 [0,2,0,0,0,0|1,0,1]=4 12716 B13R0.165 CN(CCCCCO)CCCCCF 269982a_100000722520_100000729378 [0,2,0,0,0,0|1,0,1]=4 12717 B13R0.165 CN(CCCCCO)CCCCCO 2230a_100000722520_100000746330 [0,2,0,0,0,0|1,0,1]=4 12718 B13R0.165 CN(CCCCCO)CCCCCO 269982a_100000722520_100000746330 [0,2,0,0,0,0|1,0,1]=4 12719 B13R0.165 COCCCCC(=O)CCCCCO 1458a_100102619762_100000755781 [0,2,0,0,0,0|1,0,1]=4 12720 B13R0.165 COCCCCN(C)CCCCCO 2230a_100000722520_100000730899 [0,2,0,0,0,0|1,0,1]=4 12721 B13R0.165 COCCCCN(C)CCCCCO 269982a_100000722520_100000730899 [0,2,0,0,0,0|1,0,1]=4 12722 B13R0.165 N#CCCCCC(=O)CCCCCO 1458a_100102619762_100000211819 [0,2,0,0,0,0|1,0,1]=4 12723 B13R0.165 O=C(CCCCCO)CCCCCF 1458a_100102619762_100000729378 [0,2,0,0,0,0|1,0,1]=4 12724 B13R0.165 O=C(CCCCCO)CCCCCO 1458a_100102619762_100000746330 [0,2,0,0,0,0|1,0,1]=4 12725 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,2,0,0,0,0|0,0,2]=4 12726 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,2,0,0,0,0|0,0,2]=4 12727 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,2,0,0,0,0|0,0,2]=4 12728 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,2,0,0,0,0|0,0,2]=4 12729 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,2,0,0,0,0|0,0,2]=4 12730 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,2,0,0,0,0|0,0,2]=4 12731 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,2,0,0,0,0|0,0,2]=4 12732 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,2,0,0,0,0|0,0,2]=4 12733 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,2,0,0,0,0|1,0,0]=3 12734 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,2,0,0,0,0|1,0,0]=3 12735 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,2,0,0,0,0|2,0,0]=4 12736 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,2,0,0,0,0|0,0,2]=4 12738 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,2,0,0,0,0|0,0,2]=4 12739 B13R0.336 C#CCCCCCCCNCCC=C 2230a_100015191253_100153394163 [0,2,0,0,0,0|1,0,0]=3 12740 B13R0.336 C#CCCCCCCCNCCOC 2230a_100000209980_100153394163 [0,2,0,0,0,0|0,0,2]=4 12741 B13R0.336 C#CCCCCCCCOC/C=C/C 34a_100000054614_100102629194 [0,2,0,0,0,0|1,0,1]=4 12742 B13R0.336 C#CCCCCCCCOC/C=C/C 34a_100016270725_100153394163 [0,2,0,0,0,0|1,0,1]=4 12743 B13R0.336 C#CCCCCCCCOC/C=C/C 7a_100000054614_100102629194 [0,2,0,0,0,0|1,0,1]=4 12744 B13R0.336 C#CCCCCCCCOCC=CC 34a_100000054614_100000070051 [0,2,0,0,0,0|1,0,1]=4 12745 B13R0.336 C#CCCCCCCCOCC=CC 7a_100000054614_100000070051 [0,2,0,0,0,0|1,0,1]=4 12746 B13R0.336 C#CCCCCCCCOCCC=C 34a_100000054614_100000754431 [0,2,0,0,0,0|1,0,0]=3 12747 B13R0.336 C#CCCCCCCCOCCC=C 34a_100011205117_100153394163 [0,2,0,0,0,0|1,0,0]=3 12748 B13R0.336 C#CCCCCCCCOCCC=C 7a_100000054614_100000754431 [0,2,0,0,0,0|1,0,0]=3 12749 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [0,2,0,0,0,0|0,0,2]=4 12750 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [0,2,0,0,0,0|0,0,2]=4 12751 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,2,0,0,0,0|0,0,2]=4 12752 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,2,0,0,0,0|0,0,2]=4 12753 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,2,0,0,0,0|0,0,2]=4 12754 B13R0.336 C#CCCCCCCCOCCON 34a_100000700252_100153394163 [0,2,0,0,0,0|0,0,2]=4 12755 B13R0.336 C#CCCCCCCCSC/C=C/C 62a_100102629194_100153394163 [0,2,0,0,0,0|1,0,1]=4 12756 B13R0.336 C#CCCCCCCCSC/C=C/C 62a_100153394163_100102629194 [0,2,0,0,0,0|1,0,1]=4 12757 B13R0.336 C#CCCCCCCCSCC=CC 62a_100000070051_100153394163 [0,2,0,0,0,0|1,0,1]=4 12758 B13R0.336 C#CCCCCCCCSCC=CC 62a_100153394163_100000070051 [0,2,0,0,0,0|1,0,1]=4 12759 B13R0.336 C#CCCCCCCCSCCC=C 62a_100000754431_100153394163 [0,2,0,0,0,0|1,0,0]=3 12760 B13R0.336 C#CCCCCCCCSCCC=C 62a_100153394163_100000754431 [0,2,0,0,0,0|1,0,0]=3 12761 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [0,2,0,0,0,0|0,0,2]=4 12762 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [0,2,0,0,0,0|0,0,2]=4 12763 B13R0.336 C#CCCCCCCCSCCOC 62a_100000233755_100153394163 [0,2,0,0,0,0|0,0,2]=4 12764 B13R0.336 C#CCCCCCCCSCCOC 62a_100153394163_100000233755 [0,2,0,0,0,0|0,0,2]=4 12765 B13R0.336 C#CCCCCCCNCCCC=C 2230a_100000700776_100012276617 [0,2,0,0,0,0|1,0,0]=3 12766 B13R0.336 C#CCCCCCCNCCCC=C 34a_100000700776_100012276617 [0,2,0,0,0,0|1,0,0]=3 12767 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [0,2,0,0,0,0|0,0,2]=4 12768 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [0,2,0,0,0,0|0,0,2]=4 12769 B13R0.336 C#CCCCCCCNCCCOC 34a_100150723488_100012276617 [0,2,0,0,0,0|0,0,2]=4 12770 B13R0.336 C#CCCCCCCOCC/C=C/C 34a_100016278192_100012276617 [0,2,0,0,0,0|1,0,1]=4 12771 B13R0.336 C#CCCCCCCOCCCC=C 34a_100000758997_100012276617 [0,2,0,0,0,0|1,0,0]=3 12772 B13R0.336 C#CCCCCCCOCCCC=C 34a_100011217361_100000757094 [0,2,0,0,0,0|1,0,0]=3 12773 B13R0.336 C#CCCCCCCOCCCC=C 7a_100000758997_100012276617 [0,2,0,0,0,0|1,0,0]=3 12774 B13R0.336 C#CCCCCCCOCCCC=C 7a_100011217361_100000757094 [0,2,0,0,0,0|1,0,0]=3 12775 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,2,0,0,0,0|2,0,0]=4 12776 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [0,2,0,0,0,0|0,0,2]=4 12777 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [0,2,0,0,0,0|0,0,2]=4 12778 B13R0.336 C#CCCCCCCOCCCOC 34a_100000740835_100012276617 [0,2,0,0,0,0|0,0,2]=4 12779 B13R0.336 C#CCCCCCCOCCCOC 34a_100011217361_100000740836 [0,2,0,0,0,0|0,0,2]=4 12780 B13R0.336 C#CCCCCCCOCCCOC 7a_100011217361_100000740836 [0,2,0,0,0,0|0,0,2]=4 12781 B13R0.336 C#CCCCCCCOCCOC=C 34a_100000033082_100012276617 [0,2,0,0,0,0|1,0,1]=4 12782 B13R0.336 C#CCCCCCCOCCOC=C 34a_100011217361_100000039644 [0,2,0,0,0,0|1,0,1]=4 12783 B13R0.336 C#CCCCCCCOCCOC=C 7a_100011217361_100000039644 [0,2,0,0,0,0|1,0,1]=4 12784 B13R0.336 C#CCCCCCCSCCCC=C 62a_100011713584_100012276617 [0,2,0,0,0,0|1,0,0]=3 12785 B13R0.336 C#CCCCCCCSCCCC=C 62a_100012276617_100000757094 [0,2,0,0,0,0|1,0,0]=3 12786 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,2,0,0,0,0|2,0,0]=4 12787 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,2,0,0,0,0|2,0,0]=4 12788 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [0,2,0,0,0,0|0,0,2]=4 12789 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [0,2,0,0,0,0|0,0,2]=4 12790 B13R0.336 C#CCCCCCCSCCCOC 62a_100000709357_100012276617 [0,2,0,0,0,0|0,0,2]=4 12791 B13R0.336 C#CCCCCCCSCCCOC 62a_100012276617_100000709357 [0,2,0,0,0,0|0,0,2]=4 12792 B13R0.336 C#CCCCCCCSCCOC=C 62a_100000039644_100012276617 [0,2,0,0,0,0|1,0,1]=4 12793 B13R0.336 C#CCCCCCCSCCOC=C 62a_100012276617_100000039644 [0,2,0,0,0,0|1,0,1]=4 12794 B13R0.336 C#CCCCCCNCCCCC=C 2230a_100000703577_100012094781 [0,2,0,0,0,0|1,0,0]=3 12795 B13R0.336 C#CCCCCCNCCCCC=C 34a_100000703577_100012094781 [0,2,0,0,0,0|1,0,0]=3 12796 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [0,2,0,0,0,0|0,0,2]=4 12797 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [0,2,0,0,0,0|0,0,2]=4 12798 B13R0.336 C#CCCCCCNCCCOC=C 2230a_100000210767_100012094781 [0,2,0,0,0,0|1,0,1]=4 12799 B13R0.336 C#CCCCCCNCCCOC=C 34a_100000210767_100012094781 [0,2,0,0,0,0|1,0,1]=4 12800 B13R0.336 C#CCCCCCNCCOCCO 2230a_100000211614_100012094781 [0,2,0,0,0,0|0,0,2]=4 12801 B13R0.336 C#CCCCCCNCCOCCO 34a_100000211614_100012094781 [0,2,0,0,0,0|0,0,2]=4 12802 B13R0.336 C#CCCCCCNCCSCCO 2230a_100011219999_100012094781 [0,2,0,0,0,0|0,0,2]=4 12803 B13R0.336 C#CCCCCCOCCCC=CC 34a_100020645299_100012094781 [0,2,0,0,0,0|1,0,1]=4 12804 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766645_100012094781 [0,2,0,0,0,0|1,0,0]=3 12805 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766912_100011215482 [0,2,0,0,0,0|1,0,0]=3 12806 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766645_100012094781 [0,2,0,0,0,0|1,0,0]=3 12807 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766912_100011215482 [0,2,0,0,0,0|1,0,0]=3 12808 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,2,0,0,0,0|2,0,0]=4 12809 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [0,2,0,0,0,0|0,0,2]=4 12810 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [0,2,0,0,0,0|0,0,2]=4 12811 B13R0.336 C#CCCCCCOCCCCOC 34a_100000740925_100012094781 [0,2,0,0,0,0|0,0,2]=4 12812 B13R0.336 C#CCCCCCOCCCCOC 34a_100000766912_100000755781 [0,2,0,0,0,0|0,0,2]=4 12813 B13R0.336 C#CCCCCCOCCCCOC 7a_100000766912_100000730899 [0,2,0,0,0,0|0,0,2]=4 12814 B13R0.336 C#CCCCCCOCCOCC=C 34a_100000037705_100012094781 [0,2,0,0,0,0|1,0,1]=4 12815 B13R0.336 C#CCCCCCOCCOCC=C 7a_100000037705_100012094781 [0,2,0,0,0,0|1,0,1]=4 12816 B13R0.336 C#CCCCCCOCCOCCO 34a_100000766912_100000692535 [0,2,0,0,0,0|0,0,2]=4 12817 B13R0.336 C#CCCCCCOCCOCCO 7a_100000766912_100011215305 [0,2,0,0,0,0|0,0,2]=4 12818 B13R0.336 C#CCCCCCSCCCCC=C 62a_100011215482_100012094781 [0,2,0,0,0,0|1,0,0]=3 12819 B13R0.336 C#CCCCCCSCCCCC=C 62a_100012094781_100011215482 [0,2,0,0,0,0|1,0,0]=3 12820 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,2,0,0,0,0|2,0,0]=4 12821 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,2,0,0,0,0|2,0,0]=4 12822 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [0,2,0,0,0,0|0,0,2]=4 12823 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [0,2,0,0,0,0|0,0,2]=4 12824 B13R0.336 C#CCCCCCSCCCCOC 62a_100000730899_100012094781 [0,2,0,0,0,0|0,0,2]=4 12825 B13R0.336 C#CCCCCCSCCCCOC 62a_100012094781_100000730899 [0,2,0,0,0,0|0,0,2]=4 12826 B13R0.336 C#CCCCCCSCCOCCO 62a_100011215305_100012094781 [0,2,0,0,0,0|0,0,2]=4 12827 B13R0.336 C#CCCCCCSCCOCCO 62a_100012094781_100011215305 [0,2,0,0,0,0|0,0,2]=4 12828 B13R0.336 C#CCCCCNCCCCCC=C 2230a_100000706060_100000700193 [0,2,0,0,0,0|1,0,0]=3 12829 B13R0.336 C#CCCCCNCCCCCC=C 34a_100000706060_100000700193 [0,2,0,0,0,0|1,0,0]=3 12830 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,2,0,0,0,0|2,0,0]=4 12831 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [0,2,0,0,0,0|0,0,2]=4 12832 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [0,2,0,0,0,0|0,0,2]=4 12833 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [0,2,0,0,0,0|0,0,2]=4 12834 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [0,2,0,0,0,0|0,0,2]=4 12835 B13R0.336 C#CCCCCNCCCCCOC 2230a_100000747528_100010269958 [0,2,0,0,0,0|0,0,2]=4 12836 B13R0.336 C#CCCCCNCCCCCOC 34a_100000747528_100010269958 [0,2,0,0,0,0|0,0,2]=4 12837 B13R0.336 C#CCCCCOCCCCCC=C 34a_100000766709_100000700193 [0,2,0,0,0,0|1,0,0]=3 12838 B13R0.336 C#CCCCCOCCCCCC=C 34a_100011216702_100010269958 [0,2,0,0,0,0|1,0,0]=3 12839 B13R0.336 C#CCCCCOCCCCCC=C 7a_100000766709_100000700193 [0,2,0,0,0,0|1,0,0]=3 12840 B13R0.336 C#CCCCCOCCCCCC=C 7a_100011216702_100010269958 [0,2,0,0,0,0|1,0,0]=3 12841 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [0,2,0,0,0,0|0,0,2]=4 12843 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [0,2,0,0,0,0|0,0,2]=4 12844 B13R0.336 C#CCCCCOCCCCOC=C 34a_100000031558_100010269958 [0,2,0,0,0,0|1,0,1]=4 12845 B13R0.336 C#CCCCCOCCCCOC=C 7a_100000031558_100010269958 [0,2,0,0,0,0|1,0,1]=4 12846 B13R0.336 C#CCCCCSCCCCCC=C 62a_100000700193_100010269958 [0,2,0,0,0,0|1,0,0]=3 12847 B13R0.336 C#CCCCCSCCCCCC=C 62a_100010269958_100000700193 [0,2,0,0,0,0|1,0,0]=3 12848 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,2,0,0,0,0|2,0,0]=4 12849 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,2,0,0,0,0|2,0,0]=4 12850 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [0,2,0,0,0,0|0,0,2]=4 12851 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [0,2,0,0,0,0|0,0,2]=4 12852 B13R0.336 C#CCCCNCCCCCCC=C 34a_100000718082_100011215473 [0,2,0,0,0,0|1,0,0]=3 12853 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [0,2,0,0,0,0|0,0,2]=4 12854 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [0,2,0,0,0,0|0,0,2]=4 12855 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [0,2,0,0,0,0|0,0,2]=4 12856 B13R0.336 C#CCCCNCCCCCCOC 34a_100000718082_100011998445 [0,2,0,0,0,0|0,0,2]=4 12857 B13R0.336 C#CCCCNCCCOCCCO 2230a_100011310245_100000731252 [0,2,0,0,0,0|0,0,2]=4 12858 B13R0.336 C#CCCCNCCCOCCCO 34a_100011310245_100000695029 [0,2,0,0,0,0|0,0,2]=4 12859 B13R0.336 C#CCCCOCCCCCCC=C 34a_100000215630_100011215473 [0,2,0,0,0,0|1,0,0]=3 12860 B13R0.336 C#CCCCOCCCCCCC=C 34a_200011216477_100000695029 [0,2,0,0,0,0|1,0,0]=3 12861 B13R0.336 C#CCCCOCCCCCCC=C 7a_100000215630_100011215473 [0,2,0,0,0,0|1,0,0]=3 12862 B13R0.336 C#CCCCOCCCCCCC=C 7a_200011216477_100011215417 [0,2,0,0,0,0|1,0,0]=3 12863 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [0,2,0,0,0,0|0,0,2]=4 12864 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [0,2,0,0,0,0|0,0,2]=4 12865 B13R0.336 C#CCCCOCCCCCCOC 34a_100000215630_100011998445 [0,2,0,0,0,0|0,0,2]=4 12866 B13R0.336 C#CCCCOCCCCCCOC 34a_200012092642_100000695029 [0,2,0,0,0,0|0,0,2]=4 12867 B13R0.336 C#CCCCOCCCCCCOC 7a_100000215630_100011998445 [0,2,0,0,0,0|0,0,2]=4 12868 B13R0.336 C#CCCCOCCCCCCOC 7a_200012092642_100011215417 [0,2,0,0,0,0|0,0,2]=4 12869 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215417_100011215473 [0,2,0,0,0,0|1,0,0]=3 12870 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215473_100011215417 [0,2,0,0,0,0|1,0,0]=3 12871 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [0,2,0,0,0,0|0,0,2]=4 12872 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [0,2,0,0,0,0|0,0,2]=4 12873 B13R0.336 C#CCCCSCCCCCCOC 62a_100011215417_100011998445 [0,2,0,0,0,0|0,0,2]=4 12874 B13R0.336 C#CCCCSCCCCCCOC 62a_100011998445_100011215417 [0,2,0,0,0,0|0,0,2]=4 12875 B13R0.336 C#CCCNCCCCCCCC=C 34a_100000755551_100012355270 [0,2,0,0,0,0|1,0,0]=3 12876 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [0,2,0,0,0,0|0,0,2]=4 12877 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [0,2,0,0,0,0|0,0,2]=4 12878 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [0,2,0,0,0,0|0,0,2]=4 12879 B13R0.336 C#CCCOCCCCCCCC=C 34a_100000730831_100000688953 [0,2,0,0,0,0|1,0,0]=3 12880 B13R0.336 C#CCCOCCCCCCCC=C 34a_100011215631_100012355270 [0,2,0,0,0,0|1,0,0]=3 12881 B13R0.336 C#CCCOCCCCCCCC=C 7a_100000730831_100000688953 [0,2,0,0,0,0|1,0,0]=3 12882 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [0,2,0,0,0,0|0,0,2]=4 12883 B13R0.336 C#CCCSCCCCCCCC=C 62a_100000688953_100012355270 [0,2,0,0,0,0|1,0,0]=3 12884 B13R0.336 C#CCCSCCCCCCCC=C 62a_100012355270_100000688953 [0,2,0,0,0,0|1,0,0]=3 12885 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [0,2,0,0,0,0|0,0,2]=4 12886 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [0,2,0,0,0,0|0,0,2]=4 12887 B13R0.336 C#CCNCCCCCCCCC=C 34a_100000212058_100011933949 [0,2,0,0,0,0|1,0,0]=3 12888 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [0,2,0,0,0,0|0,0,2]=4 12889 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [0,2,0,0,0,0|0,0,2]=4 12890 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [0,2,0,0,0,0|0,0,2]=4 12891 B13R0.336 C#CCOCCCCCCCCC=C 34a_100000210247_100011933949 [0,2,0,0,0,0|1,0,0]=3 12892 B13R0.336 C#CCOCCCCCCCCC=C 34a_100011215194_100000184674 [0,2,0,0,0,0|1,0,0]=3 12893 B13R0.336 C#CCOCCCCCCCCC=C 7a_100011215194_100000038162 [0,2,0,0,0,0|1,0,0]=3 12894 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,2,0,0,0,0|0,0,2]=4 12895 B13R0.336 C#CCOCCCCCCOCC=C 34a_200011021349_100015514636 [0,2,0,0,0,0|1,0,1]=4 12896 B13R0.336 C#CCOCCCCCCOCC=C 7a_200011021349_100015514636 [0,2,0,0,0,0|1,0,1]=4 12897 B13R0.336 C#CCOCCCCCCOCCO 34a_200011021349_100000211926 [0,2,0,0,0,0|0,0,2]=4 12898 B13R0.336 C#CCOCCCCCCOCCO 7a_200011021349_100000211926 [0,2,0,0,0,0|0,0,2]=4 12899 B13R0.336 C#CCOCCNCCCCCC=C 2230a_100000700922_100000700193 [0,2,0,0,0,0|1,0,1]=4 12900 B13R0.336 C#CCOCCNCCCCCC=C 34a_100000700922_100000700193 [0,2,0,0,0,0|1,0,1]=4 12901 B13R0.336 C#CCOCCNCCCCCCO 2230a_100000686447_100010402529 [0,2,0,0,0,0|0,0,2]=4 12902 B13R0.336 C#CCOCCNCCCCCCO 2230a_100000700922_100000766143 [0,2,0,0,0,0|0,0,2]=4 12903 B13R0.336 C#CCOCCNCCCCCCO 34a_100000686447_100010402529 [0,2,0,0,0,0|0,0,2]=4 12904 B13R0.336 C#CCOCCNCCCCCCO 34a_100000700922_100000766143 [0,2,0,0,0,0|0,0,2]=4 12905 B13R0.336 C#CCOCCOCCCCCC=C 34a_100000054580_100000700193 [0,2,0,0,0,0|1,0,1]=4 12906 B13R0.336 C#CCOCCOCCCCCC=C 34a_100011216702_100010402529 [0,2,0,0,0,0|1,0,1]=4 12907 B13R0.336 C#CCOCCOCCCCCC=C 7a_100000054580_100000700193 [0,2,0,0,0,0|1,0,1]=4 12908 B13R0.336 C#CCOCCOCCCCCC=C 7a_100011216702_100010402529 [0,2,0,0,0,0|1,0,1]=4 12909 B13R0.336 C#CCOCCOCCCCCCO 34a_100000054580_100000766143 [0,2,0,0,0,0|0,0,2]=4 12910 B13R0.336 C#CCOCCOCCCCCCO 7a_100000054580_100000766143 [0,2,0,0,0,0|0,0,2]=4 12911 B13R0.336 C#CCOCCSCCCCCC=C 62a_100000700193_100010402529 [0,2,0,0,0,0|1,0,1]=4 12912 B13R0.336 C#CCOCCSCCCCCC=C 62a_100010402529_100000700193 [0,2,0,0,0,0|1,0,1]=4 12913 B13R0.336 C#CCOCCSCCCCCCO 62a_100000766143_100010402529 [0,2,0,0,0,0|0,0,2]=4 12914 B13R0.336 C#CCOCCSCCCCCCO 62a_100010402529_100000766143 [0,2,0,0,0,0|0,0,2]=4 12915 B13R0.336 C#CCSCCCCCCCCC=C 62a_100000038162_100011933949 [0,2,0,0,0,0|1,0,0]=3 12916 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [0,2,0,0,0,0|0,0,2]=4 12917 B13R0.336 C/C=C/C=C/CCCCCCCOC 34a_100020681108_200000210301 [0,2,0,0,0,0|0,0,2]=4 12918 B13R0.336 C/C=C/C=C/CCCCCCCOC 7a_100020681108_200000210301 [0,2,0,0,0,0|0,0,2]=4 12919 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 34a_100020681108_200025704644 [0,2,0,0,0,0|0,0,2]=4 12920 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 7a_100020681108_200025704644 [0,2,0,0,0,0|0,0,2]=4 12921 B13R0.336 C/C=C/C=C/COCCCCCCO 34a_100016283227_100000766143 [0,2,0,0,0,0|0,0,2]=4 12922 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,2,0,0,0,0|1,0,0]=3 12923 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,2,0,0,0,0|0,0,0]=2 12924 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,2,0,0,0,0|1,0,0]=3 12925 B13R0.336 C/C=C/CCOCCCOCCOC 34a_100016278192_100011216529 [0,2,0,0,0,0|2,0,0]=4 12926 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,2,0,0,0,0|1,0,0]=3 12927 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,2,0,0,0,0|0,0,0]=2 12928 B13R0.336 C/C=C/CNCCOCCOCCO 34a_100011998139_100102629194 [0,2,0,0,0,0|2,0,0]=4 12929 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,2,0,0,0,0|1,0,0]=3 12930 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,2,0,0,0,0|1,0,0]=3 12931 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,2,0,0,0,0|1,0,0]=3 12932 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,2,0,0,0,0|1,0,0]=3 12933 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,2,0,0,0,0|1,0,0]=3 12934 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,2,0,0,0,0|1,0,0]=3 12935 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,2,0,0,0,0|1,0,0]=3 12936 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,2,0,0,0,0|1,0,0]=3 12937 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,2,0,0,0,0|0,0,0]=2 12938 B13R0.336 C/C=C/COCCCCCNCCN 34a_103619048469_100102629194 [0,2,0,0,0,0|2,0,0]=4 12939 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [0,2,0,0,0,0|2,0,0]=4 12940 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [0,2,0,0,0,0|2,0,0]=4 12941 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [0,2,0,0,0,0|2,0,0]=4 12942 B13R0.336 C/C=C/COCCCOCCCOC 34a_200011215475_100102629194 [0,2,0,0,0,0|2,0,0]=4 12943 B13R0.336 C/C=C/COCCCOCCCOC 7a_200011215475_100102629194 [0,2,0,0,0,0|2,0,0]=4 12944 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [0,2,0,0,0,0|2,0,0]=4 12945 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [0,2,0,0,0,0|2,0,0]=4 12946 B13R0.336 C/C=C/COCCOCCOCCO 34a_100016270725_100000032323 [0,2,0,0,0,0|2,0,0]=4 12947 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [0,2,0,0,0,0|1,0,0]=3 12948 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,2,0,0,0,0|0,0,0]=2 12949 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,2,0,0,0,0|0,0,0]=2 12950 B13R0.336 C/C=C/CSCCOCCOCCO 62a_100000032323_100102629194 [0,2,0,0,0,0|2,0,0]=4 12951 B13R0.336 C/C=C/CSCCOCCOCCO 62a_100102629194_100000032323 [0,2,0,0,0,0|2,0,0]=4 12952 B13R0.336 C=CCCC/C=C/COCCCCC 34a_200016268473_100000718602 [0,2,0,0,0,0|1,0,1]=4 12953 B13R0.336 C=CCCC/C=C/COCCCCC 7a_200016268473_100000210326 [0,2,0,0,0,0|1,0,1]=4 12954 B13R0.336 C=CCCC/C=C/COCCCCF 34a_200016268473_100000729493 [0,2,0,0,0,0|1,0,1]=4 12955 B13R0.336 C=CCCC/C=C/COCCCCF 7a_200016268473_100000729493 [0,2,0,0,0,0|1,0,1]=4 12956 B13R0.336 C=CCCC/C=C/COCCCCO 34a_200016268473_100011216708 [0,2,0,0,0,0|0,0,1]=3 12957 B13R0.336 C=CCCC/C=C/COCCCCO 7a_200016268473_100000210776 [0,2,0,0,0,0|0,0,1]=3 12958 B13R0.336 C=CCCC/C=C/COCCCOC 34a_200016268473_100000740836 [0,2,0,0,0,0|0,0,2]=4 12959 B13R0.336 C=CCCC/C=C/COCCCOC 7a_200016268473_100000740836 [0,2,0,0,0,0|0,0,2]=4 12960 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 12961 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,2,0,0,0,0|1,0,0]=3 12962 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 12963 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,2,0,0,0,0|0,0,0]=2 12964 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [0,2,0,0,0,0|0,1,0]=3 12965 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [0,2,0,0,0,0|0,1,0]=3 12966 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [0,2,0,0,0,0|0,1,0]=3 12967 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [0,2,0,0,0,0|0,1,0]=3 12968 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 12969 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,2,0,0,0,0|1,0,0]=3 12970 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 12971 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,2,0,0,0,0|1,0,0]=3 12972 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,2,0,0,0,0|0,0,0]=2 12973 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,2,0,0,0,0|0,0,0]=2 12974 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,2,0,0,0,0|0,0,0]=2 12975 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,2,0,0,0,0|0,0,0]=2 12976 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,2,0,0,0,0|0,0,0]=2 12977 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [0,2,0,0,0,0|0,1,0]=3 12978 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [0,2,0,0,0,0|0,1,0]=3 12979 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,2,0,0,0,0|0,1,0]=3 12980 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,2,0,0,0,0|0,1,0]=3 12981 B13R0.336 C=CCCCCCCCCNCC=C 2230a_100020586998_100011933949 [0,2,0,0,0,0|1,0,0]=3 12982 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,2,0,0,0,0|1,0,0]=3 12983 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,2,0,0,0,0|0,0,0]=2 12984 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,2,0,0,0,0|0,0,0]=2 12985 B13R0.336 C=CCCCCCCCCOCC#N 7a_100011215194_100011215382 [0,2,0,0,0,0|1,0,0]=3 12986 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,2,0,0,0,0|1,0,0]=3 12987 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,2,0,0,0,0|1,0,0]=3 12988 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,2,0,0,0,0|1,0,0]=3 12989 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,2,0,0,0,0|0,0,1]=3 12990 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,2,0,0,0,0|0,0,1]=3 12991 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,2,0,0,0,0|1,0,0]=3 12992 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,2,0,0,0,0|1,0,0]=3 12993 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 12994 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 12995 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,2,0,0,0,0|1,0,0]=3 12996 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,2,0,0,0,0|1,0,0]=3 12997 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,2,0,0,0,0|1,0,0]=3 12998 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,2,0,0,0,0|0,0,0]=2 12999 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,2,0,0,0,0|0,0,0]=2 13000 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,2,0,0,0,0|0,1,0]=3 13001 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011215382_100011933949 [0,2,0,0,0,0|1,0,0]=3 13002 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011933949_100011215382 [0,2,0,0,0,0|1,0,0]=3 13003 B13R0.336 C=CCCCCCCCCSCC=C 62a_100000210623_100011933949 [0,2,0,0,0,0|1,0,0]=3 13004 B13R0.336 C=CCCCCCCCCSCC=C 62a_100011933949_100000210623 [0,2,0,0,0,0|1,0,0]=3 13005 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,2,0,0,0,0|0,0,1]=3 13006 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,2,0,0,0,0|0,0,1]=3 13007 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [0,2,0,0,0,0|1,0,0]=3 13008 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [0,2,0,0,0,0|1,0,0]=3 13009 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,2,0,0,0,0|1,0,0]=3 13010 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,2,0,0,0,0|1,0,0]=3 13011 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,2,0,0,0,0|0,0,0]=2 13012 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,2,0,0,0,0|0,0,0]=2 13013 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,2,0,0,0,0|0,0,0]=2 13014 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,2,0,0,0,0|0,0,0]=2 13015 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,2,0,0,0,0|0,1,0]=3 13016 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,2,0,0,0,0|0,1,0]=3 13017 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 13018 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 13019 B13R0.336 C=CCCCCCCCNCCC=C 2230a_100015191253_100012355270 [0,2,0,0,0,0|1,0,0]=3 13020 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,2,0,0,0,0|1,0,0]=3 13021 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,2,0,0,0,0|1,0,0]=3 13022 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,2,0,0,0,0|1,0,0]=3 13023 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,2,0,0,0,0|1,0,0]=3 13024 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,2,0,0,0,0|0,0,0]=2 13025 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,2,0,0,0,0|0,1,0]=3 13026 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [0,2,0,0,0,0|1,0,1]=4 13027 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [0,2,0,0,0,0|1,0,1]=4 13028 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [0,2,0,0,0,0|1,0,1]=4 13029 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 13030 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [0,2,0,0,0,0|1,0,1]=4 13031 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 13032 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [0,2,0,0,0,0|1,0,1]=4 13033 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [0,2,0,0,0,0|1,0,1]=4 13034 B13R0.336 C=CCCCCCCCOCCC#N 7a_100000730831_100000184422 [0,2,0,0,0,0|1,0,0]=3 13035 B13R0.336 C=CCCCCCCCOCCC=C 34a_100000730831_100000754431 [0,2,0,0,0,0|1,0,0]=3 13036 B13R0.336 C=CCCCCCCCOCCC=C 34a_100011205117_100012355270 [0,2,0,0,0,0|1,0,0]=3 13037 B13R0.336 C=CCCCCCCCOCCC=C 7a_100000730831_100000754431 [0,2,0,0,0,0|1,0,0]=3 13038 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,2,0,0,0,0|1,0,0]=3 13039 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 13040 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,2,0,0,0,0|1,0,0]=3 13041 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 13042 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,2,0,0,0,0|1,0,0]=3 13043 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,2,0,0,0,0|1,0,0]=3 13044 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,2,0,0,0,0|1,0,0]=3 13045 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,2,0,0,0,0|1,0,0]=3 13046 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,2,0,0,0,0|1,0,0]=3 13047 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,2,0,0,0,0|1,0,0]=3 13048 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,2,0,0,0,0|0,0,0]=2 13049 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,2,0,0,0,0|0,0,0]=2 13050 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,2,0,0,0,0|0,0,0]=2 13051 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,2,0,0,0,0|0,0,0]=2 13052 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,2,0,0,0,0|0,0,0]=2 13053 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,2,0,0,0,0|0,0,0]=2 13054 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,2,0,0,0,0|0,1,0]=3 13055 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,2,0,0,0,0|0,1,0]=3 13056 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,2,0,0,0,0|0,1,0]=3 13057 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,2,0,0,0,0|0,1,0]=3 13058 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [0,2,0,0,0,0|1,0,1]=4 13059 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [0,2,0,0,0,0|1,0,1]=4 13060 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [0,2,0,0,0,0|1,0,1]=4 13061 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [0,2,0,0,0,0|1,0,1]=4 13062 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [0,2,0,0,0,0|1,0,1]=4 13063 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [0,2,0,0,0,0|1,0,1]=4 13064 B13R0.336 C=CCCCCCCCSCCC#N 62a_100011215226_100012355270 [0,2,0,0,0,0|1,0,0]=3 13065 B13R0.336 C=CCCCCCCCSCCC#N 62a_100012355270_100011215226 [0,2,0,0,0,0|1,0,0]=3 13066 B13R0.336 C=CCCCCCCCSCCC=C 62a_100000754431_100012355270 [0,2,0,0,0,0|1,0,0]=3 13067 B13R0.336 C=CCCCCCCCSCCC=C 62a_100012355270_100000754431 [0,2,0,0,0,0|1,0,0]=3 13068 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [0,2,0,0,0,0|1,0,0]=3 13069 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [0,2,0,0,0,0|1,0,0]=3 13070 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,2,0,0,0,0|1,0,0]=3 13071 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,2,0,0,0,0|1,0,0]=3 13072 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,2,0,0,0,0|0,0,0]=2 13073 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,2,0,0,0,0|0,0,0]=2 13074 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,2,0,0,0,0|0,0,0]=2 13075 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,2,0,0,0,0|0,0,0]=2 13076 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,2,0,0,0,0|0,1,0]=3 13077 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,2,0,0,0,0|0,1,0]=3 13078 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,2,0,0,0,0|1,0,0]=3 13079 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,2,0,0,0,0|1,0,0]=3 13080 B13R0.336 C=CCCCCCCCSCSC#N 62a_100000211825_100012355270 [0,2,0,0,0,0|1,0,1]=4 13081 B13R0.336 C=CCCCCCCCSCSC#N 62a_100012355270_100000211825 [0,2,0,0,0,0|1,0,1]=4 13082 B13R0.336 C=CCCCCCCNCCCC=C 2230a_100000700776_100011215473 [0,2,0,0,0,0|1,0,0]=3 13083 B13R0.336 C=CCCCCCCNCCCC=C 34a_100000700776_100011215473 [0,2,0,0,0,0|1,0,0]=3 13084 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,2,0,0,0,0|1,0,0]=3 13085 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,2,0,0,0,0|0,0,0]=2 13086 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,2,0,0,0,0|0,0,0]=2 13087 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,2,0,0,0,0|0,0,0]=2 13088 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,2,0,0,0,0|0,1,0]=3 13089 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,2,0,0,0,0|1,0,0]=3 13090 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,2,0,0,0,0|1,0,0]=3 13091 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,2,0,0,0,0|1,0,0]=3 13092 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,2,0,0,0,0|1,0,1]=4 13093 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 13094 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 13095 B13R0.336 C=CCCCCCCOCC#CCC 34a_100000032950_100011215473 [0,2,0,0,0,0|1,0,1]=4 13096 B13R0.336 C=CCCCCCCOCC#CCC 34a_200011216477_100009813939 [0,2,0,0,0,0|1,0,1]=4 13097 B13R0.336 C=CCCCCCCOCC#CCC 7a_200011216477_100009813939 [0,2,0,0,0,0|1,0,1]=4 13098 B13R0.336 C=CCCCCCCOCC#CCCl 34a_200000047223_100011215473 [0,2,0,0,0,0|1,0,1]=4 13099 B13R0.336 C=CCCCCCCOCC#CCO 34a_200011216477_200000047223 [0,2,0,0,0,0|0,0,1]=3 13100 B13R0.336 C=CCCCCCCOCC#CCO 7a_200011216477_200000047223 [0,2,0,0,0,0|0,0,1]=3 13101 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [0,2,0,0,0,0|1,0,1]=4 13102 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [0,2,0,0,0,0|1,0,1]=4 13103 B13R0.336 C=CCCCCCCOCCCC#N 7a_200011216477_100000687738 [0,2,0,0,0,0|1,0,0]=3 13104 B13R0.336 C=CCCCCCCOCCCC=C 34a_100000758997_100011215473 [0,2,0,0,0,0|1,0,0]=3 13105 B13R0.336 C=CCCCCCCOCCCC=C 34a_200011216477_100000757094 [0,2,0,0,0,0|1,0,0]=3 13106 B13R0.336 C=CCCCCCCOCCCC=C 7a_100000758997_100011215473 [0,2,0,0,0,0|1,0,0]=3 13107 B13R0.336 C=CCCCCCCOCCCC=C 7a_200011216477_100000757094 [0,2,0,0,0,0|1,0,0]=3 13108 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,2,0,0,0,0|0,0,1]=3 13109 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,2,0,0,0,0|1,0,0]=3 13110 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 13111 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,2,0,0,0,0|1,0,0]=3 13112 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 13113 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,2,0,0,0,0|1,0,0]=3 13114 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,2,0,0,0,0|1,0,0]=3 13115 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,2,0,0,0,0|1,0,0]=3 13116 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,2,0,0,0,0|1,0,0]=3 13117 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,2,0,0,0,0|1,0,0]=3 13118 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,2,0,0,0,0|1,0,0]=3 13119 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,2,0,0,0,0|1,0,0]=3 13120 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,2,0,0,0,0|1,0,0]=3 13121 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,2,0,0,0,0|1,0,0]=3 13122 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,2,0,0,0,0|0,0,0]=2 13123 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,2,0,0,0,0|0,0,0]=2 13124 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,2,0,0,0,0|1,0,0]=3 13125 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,2,0,0,0,0|0,0,0]=2 13126 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,2,0,0,0,0|0,0,0]=2 13127 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,2,0,0,0,0|0,0,0]=2 13128 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,2,0,0,0,0|0,1,0]=3 13129 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,2,0,0,0,0|0,1,0]=3 13130 B13R0.336 C=CCCCCCCOCCOC=C 34a_100000033082_100011215473 [0,2,0,0,0,0|1,0,0]=3 13131 B13R0.336 C=CCCCCCCOCCOC=C 34a_200011216477_100000039644 [0,2,0,0,0,0|1,0,0]=3 13132 B13R0.336 C=CCCCCCCOCCOC=C 7a_200011216477_100000039644 [0,2,0,0,0,0|1,0,0]=3 13133 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,2,0,0,0,0|1,0,0]=3 13134 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,2,0,0,0,0|1,0,0]=3 13135 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,2,0,0,0,0|1,0,0]=3 13136 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,2,0,0,0,0|1,0,0]=3 13137 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,2,0,0,0,0|1,0,0]=3 13138 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,2,0,0,0,0|1,0,0]=3 13139 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,2,0,0,0,0|1,0,0]=3 13140 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,2,0,0,0,0|1,0,0]=3 13141 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,2,0,0,0,0|1,0,1]=4 13142 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,2,0,0,0,0|1,0,1]=4 13143 B13R0.336 C=CCCCCCCSCC#CCC 62a_100009813939_100011215473 [0,2,0,0,0,0|1,0,1]=4 13144 B13R0.336 C=CCCCCCCSCC#CCC 62a_100011215473_100009813939 [0,2,0,0,0,0|1,0,1]=4 13145 B13R0.336 C=CCCCCCCSCC#CCO 62a_100011215473_200000047223 [0,2,0,0,0,0|0,0,1]=3 13146 B13R0.336 C=CCCCCCCSCC#CCO 62a_200000047223_100011215473 [0,2,0,0,0,0|0,0,1]=3 13147 B13R0.336 C=CCCCCCCSCCCC#N 62a_100000687738_100011215473 [0,2,0,0,0,0|1,0,0]=3 13148 B13R0.336 C=CCCCCCCSCCCC#N 62a_100011215473_100000687738 [0,2,0,0,0,0|1,0,0]=3 13149 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011215473_100000757094 [0,2,0,0,0,0|1,0,0]=3 13150 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011713584_100011215473 [0,2,0,0,0,0|1,0,0]=3 13151 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,2,0,0,0,0|0,0,1]=3 13152 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,2,0,0,0,0|0,0,1]=3 13153 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [0,2,0,0,0,0|1,0,0]=3 13154 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [0,2,0,0,0,0|1,0,0]=3 13155 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,2,0,0,0,0|1,0,0]=3 13156 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,2,0,0,0,0|1,0,0]=3 13157 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,2,0,0,0,0|0,0,0]=2 13158 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,2,0,0,0,0|0,0,0]=2 13159 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,2,0,0,0,0|0,0,0]=2 13160 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,2,0,0,0,0|0,0,0]=2 13161 B13R0.336 C=CCCCCCCSCCOC=C 62a_100000039644_100011215473 [0,2,0,0,0,0|1,0,0]=3 13162 B13R0.336 C=CCCCCCCSCCOC=C 62a_100011215473_100000039644 [0,2,0,0,0,0|1,0,0]=3 13163 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,2,0,0,0,0|1,0,0]=3 13164 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,2,0,0,0,0|1,0,0]=3 13165 B13R0.336 C=CCCCCCCSCCSC#N 62a_100000034367_100011215473 [0,2,0,0,0,0|1,0,1]=4 13166 B13R0.336 C=CCCCCCCSCCSC#N 62a_100011215473_100000034367 [0,2,0,0,0,0|1,0,1]=4 13167 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,2,0,0,0,0|1,0,0]=3 13168 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,2,0,0,0,0|1,0,0]=3 13169 B13R0.336 C=CCCCCCNCCCCC=C 2230a_100000703577_100000700193 [0,2,0,0,0,0|1,0,0]=3 13170 B13R0.336 C=CCCCCCNCCCCC=C 34a_100000703577_100000700193 [0,2,0,0,0,0|1,0,0]=3 13171 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,2,0,0,0,0|1,0,0]=3 13172 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,2,0,0,0,0|0,0,0]=2 13173 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,2,0,0,0,0|0,0,0]=2 13174 B13R0.336 C=CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000700193 [0,2,0,0,0,0|2,0,0]=4 13175 B13R0.336 C=CCCCCCNCCCOC=C 2230a_100000210767_100000700193 [0,2,0,0,0,0|1,0,0]=3 13176 B13R0.336 C=CCCCCCNCCCOC=C 34a_100000210767_100000700193 [0,2,0,0,0,0|1,0,0]=3 13177 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,2,0,0,0,0|1,0,0]=3 13178 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,2,0,0,0,0|1,0,0]=3 13179 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,2,0,0,0,0|1,0,0]=3 13180 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,2,0,0,0,0|1,0,0]=3 13181 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,2,0,0,0,0|0,0,0]=2 13182 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,2,0,0,0,0|0,0,0]=2 13183 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,2,0,0,0,0|1,0,0]=3 13184 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,2,0,0,0,0|0,0,0]=2 13185 B13R0.336 C=CCCCCCOC/C=C/CCC 34a_100016278788_100000700193 [0,2,0,0,0,0|1,0,1]=4 13186 B13R0.336 C=CCCCCCOC/C=C/CCC 7a_100016278788_100000700193 [0,2,0,0,0,0|1,0,1]=4 13187 B13R0.336 C=CCCCCCOCC#CCCC 34a_100000034806_100000700193 [0,2,0,0,0,0|1,0,1]=4 13188 B13R0.336 C=CCCCCCOCC#CCCC 7a_100000034806_100000700193 [0,2,0,0,0,0|1,0,1]=4 13189 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 13190 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 13191 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 13192 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 13193 B13R0.336 C=CCCCCCOCCC#CCC 34a_100000036655_100000700193 [0,2,0,0,0,0|1,0,1]=4 13194 B13R0.336 C=CCCCCCOCCC#CCC 7a_100000036655_100000700193 [0,2,0,0,0,0|1,0,1]=4 13195 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [0,2,0,0,0,0|1,0,1]=4 13196 B13R0.336 C=CCCCCCOCCCCC#N 7a_100011216702_100000211819 [0,2,0,0,0,0|1,0,0]=3 13197 B13R0.336 C=CCCCCCOCCCCC=C 34a_100000766645_100000700193 [0,2,0,0,0,0|1,0,0]=3 13198 B13R0.336 C=CCCCCCOCCCCC=C 34a_100011216702_100011215482 [0,2,0,0,0,0|1,0,0]=3 13199 B13R0.336 C=CCCCCCOCCCCC=C 7a_100000766645_100000700193 [0,2,0,0,0,0|1,0,0]=3 13200 B13R0.336 C=CCCCCCOCCCCC=C 7a_100011216702_100011215482 [0,2,0,0,0,0|1,0,0]=3 13201 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,2,0,0,0,0|0,0,1]=3 13202 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,2,0,0,0,0|1,0,0]=3 13203 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,2,0,0,0,0|1,0,0]=3 13204 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 13205 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 13206 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 13207 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 13208 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,2,0,0,0,0|1,0,0]=3 13209 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,2,0,0,0,0|1,0,0]=3 13210 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,2,0,0,0,0|1,0,0]=3 13211 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,2,0,0,0,0|1,0,0]=3 13212 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,2,0,0,0,0|1,0,0]=3 13213 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,2,0,0,0,0|1,0,0]=3 13214 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,2,0,0,0,0|1,0,0]=3 13215 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,2,0,0,0,0|0,0,0]=2 13216 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,2,0,0,0,0|0,0,0]=2 13217 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,2,0,0,0,0|0,0,0]=2 13218 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,2,0,0,0,0|0,0,0]=2 13219 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,2,0,0,0,0|0,0,0]=2 13220 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,2,0,0,0,0|0,1,0]=3 13221 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,2,0,0,0,0|0,1,0]=3 13222 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,2,0,0,0,0|1,0,0]=3 13223 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,2,0,0,0,0|1,0,0]=3 13224 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,2,0,0,0,0|1,0,0]=3 13225 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,2,0,0,0,0|1,0,0]=3 13226 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,2,0,0,0,0|1,0,0]=3 13227 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,2,0,0,0,0|1,0,0]=3 13228 B13R0.336 C=CCCCCCOCCOCC#N 7a_100011216702_200000047693 [0,2,0,0,0,0|1,0,1]=4 13229 B13R0.336 C=CCCCCCOCCOCC=C 34a_100000037705_100000700193 [0,2,0,0,0,0|1,0,1]=4 13230 B13R0.336 C=CCCCCCOCCOCC=C 7a_100000037705_100000700193 [0,2,0,0,0,0|1,0,1]=4 13231 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [0,2,0,0,0,0|1,0,0]=3 13232 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [0,2,0,0,0,0|1,0,0]=3 13233 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,2,0,0,0,0|1,0,0]=3 13234 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,2,0,0,0,0|1,0,0]=3 13235 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,2,0,0,0,0|1,0,0]=3 13236 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,2,0,0,0,0|1,0,0]=3 13237 B13R0.336 C=CCCCCCOCCOCCCl 34a_100011215305_100000700193 [0,2,0,0,0,0|1,0,0]=3 13238 B13R0.336 C=CCCCCCOCCOCCCl 7a_100011215305_100000700193 [0,2,0,0,0,0|1,0,0]=3 13239 B13R0.336 C=CCCCCCOCCOCCF 34a_200015357709_100000700193 [0,2,0,0,0,0|1,0,0]=3 13240 B13R0.336 C=CCCCCCOCCOCCF 7a_200015357709_100000700193 [0,2,0,0,0,0|1,0,0]=3 13241 B13R0.336 C=CCCCCCOCCOCCI 34a_100012149058_100000700193 [0,2,0,0,0,0|1,0,0]=3 13242 B13R0.336 C=CCCCCCOCCOCCI 7a_100012149058_100000700193 [0,2,0,0,0,0|1,0,0]=3 13243 B13R0.336 C=CCCCCCOCCOCCN 34a_100000211614_100000700193 [0,2,0,0,0,0|1,0,0]=3 13244 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,2,0,0,0,0|0,0,0]=2 13245 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,2,0,0,0,0|0,0,0]=2 13246 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,2,0,0,0,0|1,0,0]=3 13247 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,2,0,0,0,0|1,0,0]=3 13248 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,2,0,0,0,0|1,0,0]=3 13249 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,2,0,0,0,0|1,0,1]=4 13250 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,2,0,0,0,0|1,0,1]=4 13251 B13R0.336 C=CCCCCCSCCCCC#N 62a_100000700193_100000211819 [0,2,0,0,0,0|1,0,0]=3 13252 B13R0.336 C=CCCCCCSCCCCC#N 62a_100011219923_100000700193 [0,2,0,0,0,0|1,0,0]=3 13253 B13R0.336 C=CCCCCCSCCCCC=C 62a_100000700193_100011215482 [0,2,0,0,0,0|1,0,0]=3 13254 B13R0.336 C=CCCCCCSCCCCC=C 62a_100011215482_100000700193 [0,2,0,0,0,0|1,0,0]=3 13255 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,2,0,0,0,0|0,0,1]=3 13256 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,2,0,0,0,0|0,0,1]=3 13257 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [0,2,0,0,0,0|1,0,0]=3 13258 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [0,2,0,0,0,0|1,0,0]=3 13259 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,2,0,0,0,0|1,0,0]=3 13260 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,2,0,0,0,0|1,0,0]=3 13261 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,2,0,0,0,0|0,0,0]=2 13262 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,2,0,0,0,0|0,0,0]=2 13263 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,2,0,0,0,0|0,0,0]=2 13264 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,2,0,0,0,0|0,0,0]=2 13265 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,2,0,0,0,0|1,0,0]=3 13266 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,2,0,0,0,0|1,0,0]=3 13267 B13R0.336 C=CCCCCCSCCOCC#N 62a_100000700193_200000047693 [0,2,0,0,0,0|1,0,1]=4 13268 B13R0.336 C=CCCCCCSCCOCC#N 62a_200000047693_100000700193 [0,2,0,0,0,0|1,0,1]=4 13269 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,2,0,0,0,0|1,0,0]=3 13270 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,2,0,0,0,0|1,0,0]=3 13271 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,2,0,0,0,0|0,0,0]=2 13272 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,2,0,0,0,0|0,0,0]=2 13273 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,2,0,0,0,0|1,0,0]=3 13274 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,2,0,0,0,0|1,0,0]=3 13275 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [0,2,0,0,0,0|1,0,0]=3 13276 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [0,2,0,0,0,0|1,0,0]=3 13277 B13R0.336 C=CCCCCNCCCCCC#N 2230a_100000703577_100009813376 [0,2,0,0,0,0|1,0,0]=3 13278 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,2,0,0,0,0|0,0,1]=3 13279 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,2,0,0,0,0|1,0,0]=3 13280 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,2,0,0,0,0|1,0,0]=3 13281 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,2,0,0,0,0|1,0,0]=3 13282 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,2,0,0,0,0|1,0,0]=3 13283 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,2,0,0,0,0|1,0,0]=3 13284 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,2,0,0,0,0|0,0,0]=2 13285 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,2,0,0,0,0|0,0,0]=2 13286 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,2,0,0,0,0|0,0,0]=2 13287 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,2,0,0,0,0|0,0,0]=2 13288 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,2,0,0,0,0|0,0,0]=2 13289 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,2,0,0,0,0|0,0,0]=2 13290 B13R0.336 C=CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011215482 [0,2,0,0,0,0|2,0,0]=4 13291 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,2,0,0,0,0|1,0,0]=3 13292 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,2,0,0,0,0|1,0,0]=3 13293 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,2,0,0,0,0|1,0,0]=3 13294 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,2,0,0,0,0|1,0,0]=3 13295 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,2,0,0,0,0|1,0,0]=3 13296 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,2,0,0,0,0|1,0,0]=3 13297 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,2,0,0,0,0|1,0,0]=3 13298 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,2,0,0,0,0|1,0,0]=3 13299 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,2,0,0,0,0|1,0,0]=3 13300 B13R0.336 C=CCCCCOC/C=C/CCCC 34a_200016272032_100011215482 [0,2,0,0,0,0|1,0,1]=4 13301 B13R0.336 C=CCCCCOC/C=C/CCCC 7a_200016272032_100011215482 [0,2,0,0,0,0|1,0,1]=4 13302 B13R0.336 C=CCCCCOCC#CCCCC 34a_200000034558_100011215482 [0,2,0,0,0,0|1,0,1]=4 13303 B13R0.336 C=CCCCCOCC#CCCCC 7a_200000034558_100011215482 [0,2,0,0,0,0|1,0,1]=4 13304 B13R0.336 C=CCCCCOCCC#CCCC 34a_100000042726_100011215482 [0,2,0,0,0,0|1,0,1]=4 13305 B13R0.336 C=CCCCCOCCC#CCCC 7a_100000042726_100011215482 [0,2,0,0,0,0|1,0,1]=4 13306 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 13307 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 13308 B13R0.336 C=CCCCCOCCCCCC#N 7a_100000766645_100009813376 [0,2,0,0,0,0|1,0,0]=3 13309 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,2,0,0,0,0|0,0,1]=3 13310 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,2,0,0,0,0|1,0,0]=3 13311 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,2,0,0,0,0|1,0,0]=3 13312 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 13313 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 13314 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 13315 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 13316 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,2,0,0,0,0|1,0,0]=3 13317 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,2,0,0,0,0|1,0,0]=3 13318 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,2,0,0,0,0|1,0,0]=3 13319 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,2,0,0,0,0|1,0,0]=3 13320 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,2,0,0,0,0|1,0,0]=3 13321 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,2,0,0,0,0|1,0,0]=3 13322 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,2,0,0,0,0|1,0,0]=3 13323 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,2,0,0,0,0|0,0,0]=2 13324 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,2,0,0,0,0|0,0,0]=2 13325 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,2,0,0,0,0|1,0,0]=3 13326 B13R0.336 C=CCCCCOCCCCOC=C 34a_100000031558_100011215482 [0,2,0,0,0,0|1,0,0]=3 13327 B13R0.336 C=CCCCCOCCCCOC=C 7a_100000031558_100011215482 [0,2,0,0,0,0|1,0,0]=3 13328 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,2,0,0,0,0|1,0,0]=3 13329 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,2,0,0,0,0|1,0,0]=3 13330 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,2,0,0,0,0|1,0,0]=3 13331 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,2,0,0,0,0|1,0,0]=3 13332 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,2,0,0,0,0|2,0,0]=4 13333 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,2,0,0,0,0|1,0,0]=3 13334 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,2,0,0,0,0|1,0,0]=3 13335 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,2,0,0,0,0|1,0,0]=3 13336 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,2,0,0,0,0|1,0,0]=3 13337 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,2,0,0,0,0|1,0,0]=3 13338 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,2,0,0,0,0|1,0,0]=3 13339 B13R0.336 C=CCCCCSCCCCCC#N 62a_100009813376_100011215482 [0,2,0,0,0,0|1,0,0]=3 13340 B13R0.336 C=CCCCCSCCCCCC#N 62a_100011215482_100009813376 [0,2,0,0,0,0|1,0,0]=3 13341 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,2,0,0,0,0|0,0,1]=3 13342 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,2,0,0,0,0|0,0,1]=3 13343 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [0,2,0,0,0,0|1,0,0]=3 13344 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [0,2,0,0,0,0|1,0,0]=3 13345 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,2,0,0,0,0|1,0,0]=3 13346 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,2,0,0,0,0|1,0,0]=3 13347 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,2,0,0,0,0|0,0,0]=2 13348 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,2,0,0,0,0|0,0,0]=2 13349 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,2,0,0,0,0|1,0,0]=3 13350 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,2,0,0,0,0|1,0,0]=3 13351 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,2,0,0,0,0|1,0,0]=3 13352 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,2,0,0,0,0|1,0,0]=3 13353 B13R0.336 C=CCCCNCC#CCCCCC 2230a_100000700776_100009816472 [0,2,0,0,0,0|1,0,1]=4 13354 B13R0.336 C=CCCCNCC#CCCCCC 34a_100000700776_100009816472 [0,2,0,0,0,0|1,0,1]=4 13355 B13R0.336 C=CCCCNCCCCCCC#N 2230a_100000700776_100009813337 [0,2,0,0,0,0|1,0,0]=3 13356 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,2,0,0,0,0|1,0,0]=3 13357 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 13358 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,2,0,0,0,0|1,0,0]=3 13359 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 13360 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,2,0,0,0,0|0,0,0]=2 13361 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,2,0,0,0,0|0,0,0]=2 13362 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,2,0,0,0,0|0,0,0]=2 13363 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,2,0,0,0,0|0,0,0]=2 13364 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,2,0,0,0,0|0,0,0]=2 13365 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,2,0,0,0,0|0,0,0]=2 13366 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,2,0,0,0,0|1,0,0]=3 13367 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,2,0,0,0,0|1,0,0]=3 13368 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,2,0,0,0,0|0,0,0]=2 13369 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,2,0,0,0,0|0,0,0]=2 13370 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [0,2,0,0,0,0|1,0,0]=3 13371 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [0,2,0,0,0,0|1,0,0]=3 13372 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [0,2,0,0,0,0|1,0,0]=3 13373 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [0,2,0,0,0,0|1,0,0]=3 13374 B13R0.336 C=CCCCNCCOCCOCC 2230a_100000700776_100011211534 [0,2,0,0,0,0|2,0,0]=4 13375 B13R0.336 C=CCCCNCCOCCOCC 2230a_100102712874_100011713584 [0,2,0,0,0,0|2,0,0]=4 13376 B13R0.336 C=CCCCNCCOCCOCC 34a_100000700776_100011211534 [0,2,0,0,0,0|2,0,0]=4 13377 B13R0.336 C=CCCCNCCOCCOCC 34a_100102712874_100000757094 [0,2,0,0,0,0|2,0,0]=4 13378 B13R0.336 C=CCCCOC/C=C/CCCCC 34a_100016258190_100000757094 [0,2,0,0,0,0|1,0,1]=4 13379 B13R0.336 C=CCCCOC/C=C/CCCCC 7a_100016258190_100000757094 [0,2,0,0,0,0|1,0,1]=4 13380 B13R0.336 C=CCCCOCC#CCCCCC 34a_100000758997_100009816472 [0,2,0,0,0,0|1,0,1]=4 13381 B13R0.336 C=CCCCOCC#CCCCCC 34a_200000033628_100000757094 [0,2,0,0,0,0|1,0,1]=4 13382 B13R0.336 C=CCCCOCC#CCCCCC 7a_100000758997_100009816472 [0,2,0,0,0,0|1,0,1]=4 13383 B13R0.336 C=CCCCOCC#CCCCCC 7a_200000033628_100000757094 [0,2,0,0,0,0|1,0,1]=4 13384 B13R0.336 C=CCCCOCC/C=C\CCCC 34a_200016286491_100000757094 [0,2,0,0,0,0|1,0,1]=4 13385 B13R0.336 C=CCCCOCC/C=C\CCCC 7a_200016286491_100000757094 [0,2,0,0,0,0|1,0,1]=4 13386 B13R0.336 C=CCCCOCCC#CCCCC 34a_100000037610_100000757094 [0,2,0,0,0,0|1,0,1]=4 13387 B13R0.336 C=CCCCOCCC#CCCCC 7a_100000037610_100000757094 [0,2,0,0,0,0|1,0,1]=4 13388 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 13389 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 13390 B13R0.336 C=CCCCOCCCCCCC#N 7a_100000758997_100009813337 [0,2,0,0,0,0|1,0,0]=3 13391 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,2,0,0,0,0|1,0,0]=3 13392 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,2,0,0,0,0|1,0,0]=3 13393 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 13394 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 13395 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 13396 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 13397 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,2,0,0,0,0|1,0,0]=3 13398 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,2,0,0,0,0|0,0,0]=2 13399 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,2,0,0,0,0|0,0,0]=2 13400 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,2,0,0,0,0|0,0,0]=2 13401 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,2,0,0,0,0|0,0,0]=2 13402 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,2,0,0,0,0|0,0,0]=2 13403 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,2,0,0,0,0|0,0,0]=2 13404 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,2,0,0,0,0|1,0,0]=3 13405 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,2,0,0,0,0|1,0,0]=3 13406 B13R0.336 C=CCCCOCCCOCCCN 34a_100011310245_100000757094 [0,2,0,0,0,0|1,0,0]=3 13407 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,2,0,0,0,0|1,0,0]=3 13408 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,2,0,0,0,0|1,0,0]=3 13409 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,2,0,0,0,0|1,0,0]=3 13410 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,2,0,0,0,0|1,0,0]=3 13411 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,2,0,0,0,0|1,0,0]=3 13412 B13R0.336 C=CCCCOCCOCCOC=C 34a_100000039918_100000757094 [0,2,0,0,0,0|2,0,0]=4 13413 B13R0.336 C=CCCCOCCOCCOC=C 7a_100000039918_100000757094 [0,2,0,0,0,0|2,0,0]=4 13414 B13R0.336 C=CCCCOCCOCCOCC 34a_100000210240_100000757094 [0,2,0,0,0,0|2,0,0]=4 13415 B13R0.336 C=CCCCOCCOCCOCC 34a_100000758997_100011211534 [0,2,0,0,0,0|2,0,0]=4 13416 B13R0.336 C=CCCCOCCOCCOCC 7a_100000210240_100000757094 [0,2,0,0,0,0|2,0,0]=4 13417 B13R0.336 C=CCCCOCCOCCOCC 7a_100000758997_100011211534 [0,2,0,0,0,0|2,0,0]=4 13418 B13R0.336 C=CCCCSCC#CCCCCC 62a_100009816472_100000757094 [0,2,0,0,0,0|1,0,1]=4 13419 B13R0.336 C=CCCCSCC#CCCCCC 62a_100011713584_100009816472 [0,2,0,0,0,0|1,0,1]=4 13420 B13R0.336 C=CCCCSCCCCCCC#N 62a_100009813337_100000757094 [0,2,0,0,0,0|1,0,0]=3 13421 B13R0.336 C=CCCCSCCCCCCC#N 62a_100011713584_100009813337 [0,2,0,0,0,0|1,0,0]=3 13422 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [0,2,0,0,0,0|1,0,0]=3 13423 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [0,2,0,0,0,0|1,0,0]=3 13424 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,2,0,0,0,0|0,0,0]=2 13425 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,2,0,0,0,0|0,0,0]=2 13426 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,2,0,0,0,0|0,0,0]=2 13427 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,2,0,0,0,0|0,0,0]=2 13428 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [0,2,0,0,0,0|1,0,0]=3 13429 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [0,2,0,0,0,0|1,0,0]=3 13430 B13R0.336 C=CCCCSCCOCCOCC 62a_100011211534_100000757094 [0,2,0,0,0,0|2,0,0]=4 13431 B13R0.336 C=CCCCSCCOCCOCC 62a_100011713584_100011211534 [0,2,0,0,0,0|2,0,0]=4 13432 B13R0.336 C=CCCNCCCC#CCCCC 2230a_100015191253_200000047210 [0,2,0,0,0,0|1,0,1]=4 13433 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,2,0,0,0,0|1,0,1]=4 13434 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 13435 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,2,0,0,0,0|1,0,0]=3 13436 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 13437 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,2,0,0,0,0|0,0,0]=2 13438 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,2,0,0,0,0|0,0,0]=2 13439 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,2,0,0,0,0|0,0,0]=2 13440 B13R0.336 C=CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000754431 [0,2,0,0,0,0|2,0,0]=4 13441 B13R0.336 C=CCCNCCOCCOCCC 2230a_200011904461_100000754431 [0,2,0,0,0,0|2,0,0]=4 13442 B13R0.336 C=CCCNCCOCCOCCC 34a_200011904461_100000754431 [0,2,0,0,0,0|2,0,0]=4 13443 B13R0.336 C=CCCNCCOCCOCCO 2230a_100011998139_100000754431 [0,2,0,0,0,0|1,0,0]=3 13444 B13R0.336 C=CCCNCCOCCOCCO 2230a_100015191253_100000032323 [0,2,0,0,0,0|1,0,0]=3 13445 B13R0.336 C=CCCNCCOCCOCCO 34a_100011998139_100000754431 [0,2,0,0,0,0|1,0,0]=3 13446 B13R0.336 C=CCCOC/C=C/CCCCCC 34a_200016276170_100000754431 [0,2,0,0,0,0|1,0,1]=4 13447 B13R0.336 C=CCCOC/C=C/CCCCCC 7a_200016276170_100000754431 [0,2,0,0,0,0|1,0,1]=4 13448 B13R0.336 C=CCCOCC#CCCCCCC 34a_200000037284_100000754431 [0,2,0,0,0,0|1,0,1]=4 13449 B13R0.336 C=CCCOCC#CCCCCCC 7a_200000037284_100000754431 [0,2,0,0,0,0|1,0,1]=4 13450 B13R0.336 C=CCCOCC/C=C\CCCCC 34a_100016277358_100000754431 [0,2,0,0,0,0|1,0,1]=4 13451 B13R0.336 C=CCCOCC/C=C\CCCCC 7a_100016277358_100000754431 [0,2,0,0,0,0|1,0,1]=4 13452 B13R0.336 C=CCCOCCC#CCCCCC 34a_200000042877_100000754431 [0,2,0,0,0,0|1,0,1]=4 13453 B13R0.336 C=CCCOCCC#CCCCCC 7a_200000042877_100000754431 [0,2,0,0,0,0|1,0,1]=4 13454 B13R0.336 C=CCCOCCCC#CCCCC 34a_100011205117_200000047210 [0,2,0,0,0,0|1,0,1]=4 13455 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 13456 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 13457 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,2,0,0,0,0|1,0,0]=3 13458 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,2,0,0,0,0|1,0,0]=3 13459 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 13460 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,2,0,0,0,0|1,0,0]=3 13461 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 13462 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,2,0,0,0,0|1,0,0]=3 13463 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,2,0,0,0,0|1,0,0]=3 13464 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,2,0,0,0,0|1,0,0]=3 13465 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,2,0,0,0,0|0,0,0]=2 13466 B13R0.336 C=CCCOCCCCCNCCN 34a_103619048469_100000754431 [0,2,0,0,0,0|1,0,0]=3 13467 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,2,0,0,0,0|1,0,0]=3 13468 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,2,0,0,0,0|1,0,0]=3 13469 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,2,0,0,0,0|1,0,0]=3 13470 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,2,0,0,0,0|1,0,0]=3 13471 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,2,0,0,0,0|1,0,0]=3 13472 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,2,0,0,0,0|1,0,0]=3 13473 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,2,0,0,0,0|1,0,0]=3 13474 B13R0.336 C=CCCOCCOCCOCCBr 34a_100010132937_100000754431 [0,2,0,0,0,0|2,0,0]=4 13475 B13R0.336 C=CCCOCCOCCOCCBr 7a_100010132937_100000754431 [0,2,0,0,0,0|2,0,0]=4 13476 B13R0.336 C=CCCOCCOCCOCCCl 34a_100000032323_100000754431 [0,2,0,0,0,0|2,0,0]=4 13477 B13R0.336 C=CCCOCCOCCOCCCl 7a_100000032323_100000754431 [0,2,0,0,0,0|2,0,0]=4 13478 B13R0.336 C=CCCOCCOCCOCCN 34a_100011998139_100000754431 [0,2,0,0,0,0|2,0,0]=4 13479 B13R0.336 C=CCCOCCOCCOCCO 34a_100011205117_100000032323 [0,2,0,0,0,0|1,0,0]=3 13480 B13R0.336 C=CCCSCCCC#CCCCC 62a_100000754431_200000047210 [0,2,0,0,0,0|1,0,1]=4 13481 B13R0.336 C=CCCSCCCC#CCCCC 62a_200000047210_100000754431 [0,2,0,0,0,0|1,0,1]=4 13482 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [0,2,0,0,0,0|1,0,0]=3 13483 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,2,0,0,0,0|0,0,0]=2 13484 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,2,0,0,0,0|0,0,0]=2 13485 B13R0.336 C=CCCSCCOCCOCCO 62a_100000032323_100000754431 [0,2,0,0,0,0|1,0,0]=3 13486 B13R0.336 C=CCCSCCOCCOCCO 62a_100000754431_100000032323 [0,2,0,0,0,0|1,0,0]=3 13487 B13R0.336 C=CCNCCCCCCC#CCC 2230a_100020586998_200000036426 [0,2,0,0,0,0|1,0,1]=4 13488 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,2,0,0,0,0|1,0,0]=3 13489 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,2,0,0,0,0|1,0,0]=3 13490 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,2,0,0,0,0|1,0,0]=3 13491 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,2,0,0,0,0|0,0,0]=2 13492 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,2,0,0,0,0|0,0,0]=2 13493 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,2,0,0,0,0|0,0,0]=2 13494 B13R0.336 C=CCNCCCOCCOCCO 2230a_100011996194_100000210623 [0,2,0,0,0,0|1,0,0]=3 13495 B13R0.336 C=CCNCCCOCCOCCO 34a_100011996194_100015514636 [0,2,0,0,0,0|1,0,0]=3 13496 B13R0.336 C=CCNCCOCCOCCOC 2230a_100012028300_100000210623 [0,2,0,0,0,0|2,0,0]=4 13497 B13R0.336 C=CCNCCOCCOCCOC 2230a_100020586998_100013367474 [0,2,0,0,0,0|2,0,0]=4 13498 B13R0.336 C=CCNCCOCCOCCOC 34a_100012028300_100015514636 [0,2,0,0,0,0|2,0,0]=4 13499 B13R0.336 C=CCOCC#CCCCCCCC 34a_200000061759_100015514636 [0,2,0,0,0,0|1,0,1]=4 13500 B13R0.336 C=CCOCC#CCCCCCCC 7a_200000061759_100015514636 [0,2,0,0,0,0|1,0,1]=4 13501 B13R0.336 C=CCOCCC#CCCCCCC 34a_200000033163_100015514636 [0,2,0,0,0,0|1,0,1]=4 13502 B13R0.336 C=CCOCCC#CCCCCCC 7a_200000033163_100015514636 [0,2,0,0,0,0|1,0,1]=4 13503 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [0,2,0,0,0,0|1,0,1]=4 13504 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [0,2,0,0,0,0|1,0,1]=4 13505 B13R0.336 C=CCOCCCC/C=C/CCCC 34a_200020645093_100015514636 [0,2,0,0,0,0|1,0,1]=4 13506 B13R0.336 C=CCOCCCC/C=C/CCCC 7a_200020645093_100015514636 [0,2,0,0,0,0|1,0,1]=4 13507 B13R0.336 C=CCOCCCCC#CCCCC 34a_200000066234_100015514636 [0,2,0,0,0,0|1,0,1]=4 13508 B13R0.336 C=CCOCCCCC#CCCCC 7a_200000066234_100015514636 [0,2,0,0,0,0|1,0,1]=4 13509 B13R0.336 C=CCOCCCCCCC#CCC 34a_200000210373_200000036426 [0,2,0,0,0,0|1,0,1]=4 13510 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,2,0,0,0,0|1,0,0]=3 13511 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,2,0,0,0,0|1,0,0]=3 13512 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 13513 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,2,0,0,0,0|1,0,0]=3 13514 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 13515 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,2,0,0,0,0|1,0,0]=3 13516 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,2,0,0,0,0|1,0,0]=3 13517 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,2,0,0,0,0|1,0,0]=3 13518 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,2,0,0,0,0|0,0,0]=2 13519 B13R0.336 C=CCOCCOCCCCCC#N 7a_100000037705_100009813376 [0,2,0,0,0,0|1,0,1]=4 13520 B13R0.336 C=CCOCCOCCCCCC=O 7a_100000037705_100000139337 [0,2,0,0,0,0|0,0,2]=4 13521 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,2,0,0,0,0|1,0,0]=3 13522 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,2,0,0,0,0|1,0,0]=3 13523 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,2,0,0,0,0|1,0,0]=3 13524 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,2,0,0,0,0|1,0,0]=3 13525 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,2,0,0,0,0|0,0,0]=2 13526 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,2,0,0,0,0|0,0,0]=2 13527 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,2,0,0,0,0|2,0,0]=4 13528 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,2,0,0,0,0|2,0,0]=4 13529 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,2,0,0,0,0|2,0,0]=4 13530 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,2,0,0,0,0|2,0,0]=4 13533 B13R0.336 C=CCOCCOCCOCCCF 34a_100000065479_100011934791 [0,2,0,0,0,0|2,0,0]=4 13534 B13R0.336 C=CCOCCOCCOCCCF 7a_100000065479_100011934791 [0,2,0,0,0,0|2,0,0]=4 13535 B13R0.336 C=CCOCCOCCOCCCN 34a_100011996194_100015514636 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.336 C=CCOCCOCCOCCCO 34a_100000065479_100000230001 [0,2,0,0,0,0|1,0,0]=3 13537 B13R0.336 C=CCOCCOCCOCCCO 7a_100000065479_100011215043 [0,2,0,0,0,0|1,0,0]=3 13538 B13R0.336 C=CCOCCOCCOCCOC 34a_100000037705_100000695917 [0,2,0,0,0,0|2,0,0]=4 13539 B13R0.336 C=CCOCCOCCOCCOC 34a_100000065479_100011201679 [0,2,0,0,0,0|2,0,0]=4 13540 B13R0.336 C=CCOCCOCCOCCOC 34a_100000688194_100015514636 [0,2,0,0,0,0|2,0,0]=4 13541 B13R0.336 C=CCOCCOCCOCCOC 34a_200000210373_100013367474 [0,2,0,0,0,0|2,0,0]=4 13542 B13R0.336 C=CCOCCOCCOCCOC 7a_100000037705_100000695917 [0,2,0,0,0,0|2,0,0]=4 13543 B13R0.336 C=CCOCCOCCOCCOC 7a_100000065479_100000233755 [0,2,0,0,0,0|2,0,0]=4 13544 B13R0.336 C=CCOCCOCCOCCOC 7a_100000688194_100015514636 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.336 C=CCSCCCCCCC#CCC 62a_100000210623_200000036426 [0,2,0,0,0,0|1,0,1]=4 13546 B13R0.336 C=CCSCCCCCCC#CCC 62a_200000036426_100000210623 [0,2,0,0,0,0|1,0,1]=4 13547 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [0,2,0,0,0,0|1,0,0]=3 13548 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,2,0,0,0,0|0,0,0]=2 13549 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,2,0,0,0,0|0,0,0]=2 13550 B13R0.336 C=CCSCCOCCOCCOC 62a_100000210623_100013367474 [0,2,0,0,0,0|2,0,0]=4 13551 B13R0.336 C=CCSCCOCCOCCOC 62a_100013367474_100000210623 [0,2,0,0,0,0|2,0,0]=4 13552 B13R0.336 C=COCCCCOCCCCC#N 7a_100000031558_100000211819 [0,2,0,0,0,0|1,0,1]=4 13553 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,2,0,0,0,0|0,0,2]=4 13554 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 13555 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 13556 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,2,0,0,0,0|1,0,0]=3 13557 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,2,0,0,0,0|1,0,0]=3 13558 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,2,0,0,0,0|0,0,0]=2 13559 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,2,0,0,0,0|0,0,0]=2 13560 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,2,0,0,0,0|1,0,0]=3 13561 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,2,0,0,0,0|1,0,0]=3 13562 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 13563 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 13564 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 13565 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 13566 B13R0.336 C=COCCCCOCCOCCO 34a_100000031558_100000692535 [0,2,0,0,0,0|1,0,0]=3 13567 B13R0.336 C=COCCCCOCCOCCO 7a_100000031558_100011215305 [0,2,0,0,0,0|1,0,0]=3 13568 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.336 C=COCCCNCCCCCC#N 2230a_100000210767_100009813376 [0,2,0,0,0,0|1,0,1]=4 13570 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,2,0,0,0,0|0,0,2]=4 13571 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,2,0,0,0,0|1,0,0]=3 13572 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,2,0,0,0,0|1,0,0]=3 13573 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,2,0,0,0,0|1,0,0]=3 13574 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,2,0,0,0,0|1,0,0]=3 13575 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,2,0,0,0,0|0,0,0]=2 13576 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,2,0,0,0,0|0,0,0]=2 13577 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 13578 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 13579 B13R0.336 C=COCCCNCCOCCOC 2230a_100000210767_100000695917 [0,2,0,0,0,0|2,0,0]=4 13580 B13R0.336 C=COCCCNCCOCCOC 34a_100000210767_100000695917 [0,2,0,0,0,0|2,0,0]=4 13581 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 13582 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 13583 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,2,0,0,0,0|0,0,0]=2 13584 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,2,0,0,0,0|0,0,0]=2 13585 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 13586 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 13587 B13R0.336 C=COCCNCCCOCCCO 2230a_100011310245_100000039644 [0,2,0,0,0,0|1,0,0]=3 13588 B13R0.336 C=COCCNCCCOCCCO 34a_100011310245_100000039644 [0,2,0,0,0,0|1,0,0]=3 13589 B13R0.336 C=COCCNCCCOCCOC 2230a_100000206027_100000039644 [0,2,0,0,0,0|2,0,0]=4 13590 B13R0.336 C=COCCNCCCOCCOC 34a_100000206027_100000039644 [0,2,0,0,0,0|2,0,0]=4 13591 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,2,0,0,0,0|1,0,0]=3 13592 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,2,0,0,0,0|1,0,0]=3 13593 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,2,0,0,0,0|1,0,0]=3 13594 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 13595 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 13596 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,2,0,0,0,0|1,0,0]=3 13597 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,2,0,0,0,0|0,0,0]=2 13598 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,2,0,0,0,0|1,0,0]=3 13599 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,2,0,0,0,0|1,0,0]=3 13600 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,2,0,0,0,0|1,0,0]=3 13601 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 13602 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 13603 B13R0.336 C=COCCOCCCOCCCN 34a_100011310245_100000039644 [0,2,0,0,0,0|2,0,0]=4 13604 B13R0.336 C=COCCOCCCOCCOC 34a_100000033082_100011216529 [0,2,0,0,0,0|2,0,0]=4 13605 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,2,0,0,0,0|2,0,0]=4 13606 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,2,0,0,0,0|2,0,0]=4 13607 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 13608 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,2,0,0,0,0|2,0,0]=4 13609 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 13610 B13R0.336 C=COCCOCCOCCCCF 34a_100000039918_100000729493 [0,2,0,0,0,0|2,0,0]=4 13611 B13R0.336 C=COCCOCCOCCCCF 7a_100000039918_100000729493 [0,2,0,0,0,0|2,0,0]=4 13612 B13R0.336 C=COCCOCCOCCCCO 34a_100000039918_100011216708 [0,2,0,0,0,0|1,0,0]=3 13613 B13R0.336 C=COCCOCCOCCCCO 7a_100000039918_100000210776 [0,2,0,0,0,0|1,0,0]=3 13614 B13R0.336 C=COCCOCCOCCCOC 34a_100000039918_100000740836 [0,2,0,0,0,0|2,0,0]=4 13615 B13R0.336 C=COCCOCCOCCCOC 7a_100000039918_100000740836 [0,2,0,0,0,0|2,0,0]=4 13616 B13R0.336 C=COCCSCCCCCCC#N 62a_100000039644_100009813337 [0,2,0,0,0,0|1,0,1]=4 13617 B13R0.336 C=COCCSCCCCCCC#N 62a_100009813337_100000039644 [0,2,0,0,0,0|1,0,1]=4 13618 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,2,0,0,0,0|1,0,0]=3 13619 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,2,0,0,0,0|1,0,0]=3 13620 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,2,0,0,0,0|0,0,0]=2 13621 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,2,0,0,0,0|0,0,0]=2 13622 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,2,0,0,0,0|1,0,0]=3 13623 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,2,0,0,0,0|1,0,0]=3 13624 B13R0.336 C=COCCSCCCOCCOC 62a_100000039644_100011216529 [0,2,0,0,0,0|2,0,0]=4 13625 B13R0.336 C=COCCSCCCOCCOC 62a_100011216529_100000039644 [0,2,0,0,0,0|2,0,0]=4 13626 B13R0.336 CC#CCCOCCCCCCCO 34a_100000750427_100000760002 [0,2,0,0,0,0|0,0,2]=4 13627 B13R0.336 CC#CCNCCCCCCCCO 2230a_100000685387_100000033203 [0,2,0,0,0,0|0,0,2]=4 13628 B13R0.336 CC#CCNCCCCCCCCO 2230a_102515433106_100000748600 [0,2,0,0,0,0|0,0,2]=4 13629 B13R0.336 CC#CCNCCCCCCCCO 34a_100000685387_100000033203 [0,2,0,0,0,0|0,0,2]=4 13630 B13R0.336 CC#CCNCCCCCCCCO 34a_102515433106_100000748600 [0,2,0,0,0,0|0,0,2]=4 13631 B13R0.336 CC#CCOCCCCCCCCO 34a_100000761923_100000033203 [0,2,0,0,0,0|0,0,2]=4 13632 B13R0.336 CC#CCSCCCCCCCCO 62a_100000033203_100000748600 [0,2,0,0,0,0|0,0,2]=4 13633 B13R0.336 CC#CCSCCCCCCCCO 62a_100000748600_100000033203 [0,2,0,0,0,0|0,0,2]=4 13634 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,2,0,0,0,0|2,0,0]=4 13635 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,2,0,0,0,0|2,0,0]=4 13636 B13R0.336 CC/C=C/CCCOCCCCCF 34a_100016287902_100000729378 [0,2,0,0,0,0|2,0,0]=4 13637 B13R0.336 CC/C=C/CCCOCCCCCF 7a_100016287902_100000729378 [0,2,0,0,0,0|2,0,0]=4 13638 B13R0.336 CC/C=C/CCCOCCCCCO 34a_100016287902_100000746330 [0,2,0,0,0,0|1,0,0]=3 13639 B13R0.336 CC/C=C/CCCOCCCCCO 7a_100016287902_100000746330 [0,2,0,0,0,0|1,0,0]=3 13640 B13R0.336 CC/C=C/CCCOCCOCCO 34a_100016287902_100000692535 [0,2,0,0,0,0|2,0,0]=4 13641 B13R0.336 CC/C=C/CCCOCCOCCO 7a_100016287902_100011215305 [0,2,0,0,0,0|2,0,0]=4 13642 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,2,0,0,0,0|2,0,0]=4 13643 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,2,0,0,0,0|2,0,0]=4 13644 B13R0.336 CC/C=C\CCCCCNCCCF 269862a_100015189416_100016288537 [0,2,0,0,0,0|2,0,0]=4 13645 B13R0.336 CC/C=C\CCCCCNCCCO 269862a_100000182051_100016288537 [0,2,0,0,0,0|1,0,0]=3 13646 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,2,0,0,0,0|2,0,0]=4 13647 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,2,0,0,0,0|2,0,0]=4 13648 B13R0.336 CC/C=C\CCCCCOCCCF 34a_100016268722_100011934791 [0,2,0,0,0,0|2,0,0]=4 13649 B13R0.336 CC/C=C\CCCCCOCCCF 7a_100016268722_100011934791 [0,2,0,0,0,0|2,0,0]=4 13650 B13R0.336 CC/C=C\CCCCCOCCCO 34a_100016268722_100000230001 [0,2,0,0,0,0|1,0,0]=3 13651 B13R0.336 CC/C=C\CCCCCOCCCO 7a_100016268722_100011215043 [0,2,0,0,0,0|1,0,0]=3 13652 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,2,0,0,0,0|2,0,0]=4 13653 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,2,0,0,0,0|2,0,0]=4 13654 B13R0.336 CC/C=C\CCCCOCCCCF 34a_100016287862_100000729493 [0,2,0,0,0,0|2,0,0]=4 13655 B13R0.336 CC/C=C\CCCCOCCCCF 7a_100016287862_100000729493 [0,2,0,0,0,0|2,0,0]=4 13656 B13R0.336 CC/C=C\CCCCOCCCCO 34a_100016287862_100011216708 [0,2,0,0,0,0|1,0,0]=3 13657 B13R0.336 CC/C=C\CCCCOCCCCO 7a_100016287862_100000210776 [0,2,0,0,0,0|1,0,0]=3 13658 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,2,0,0,0,0|2,0,0]=4 13659 B13R0.336 CC/C=C\CCNCCCCCCO 2230a_100000686447_100015370543 [0,2,0,0,0,0|1,0,0]=3 13660 B13R0.336 CC/C=C\CCNCCCCCCO 34a_100000686447_100015370543 [0,2,0,0,0,0|1,0,0]=3 13661 B13R0.336 CC/C=C\CCOCCCCCCBr 34a_100011215345_100015370543 [0,2,0,0,0,0|2,0,0]=4 13662 B13R0.336 CC/C=C\CCOCCCCCCBr 7a_100011215345_100015370543 [0,2,0,0,0,0|2,0,0]=4 13663 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,2,0,0,0,0|2,0,0]=4 13664 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,2,0,0,0,0|2,0,0]=4 13665 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,2,0,0,0,0|2,0,0]=4 13666 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,2,0,0,0,0|2,0,0]=4 13667 B13R0.336 CC/C=C\CCOCCCCCCCl 34a_100000766143_100015370543 [0,2,0,0,0,0|2,0,0]=4 13668 B13R0.336 CC/C=C\CCOCCCCCCCl 7a_100000766143_100015370543 [0,2,0,0,0,0|2,0,0]=4 13669 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100000732779_100015370543 [0,2,0,0,0,0|2,0,0]=4 13670 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100016288707_100015922095 [0,2,0,0,0,0|2,0,0]=4 13671 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100000732779_100015370543 [0,2,0,0,0,0|2,0,0]=4 13672 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100016288707_100015922095 [0,2,0,0,0,0|2,0,0]=4 13673 B13R0.336 CC/C=C\CCOCCCCCCN 34a_100000686447_100015370543 [0,2,0,0,0,0|2,0,0]=4 13674 B13R0.336 CC/C=C\CCOCCCCCCO 34a_100016288707_100000766143 [0,2,0,0,0,0|1,0,0]=3 13675 B13R0.336 CC/C=C\CCOCCCCCCO 7a_100016288707_100000766143 [0,2,0,0,0,0|1,0,0]=3 13676 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [0,2,0,0,0,0|2,0,0]=4 13677 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [0,2,0,0,0,0|2,0,0]=4 13678 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015370543_100015922095 [0,2,0,0,0,0|2,0,0]=4 13679 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015922095_100015370543 [0,2,0,0,0,0|2,0,0]=4 13680 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100000766143_100015370543 [0,2,0,0,0,0|1,0,0]=3 13681 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100015370543_100000766143 [0,2,0,0,0,0|1,0,0]=3 13682 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,2,0,0,0,0|2,0,0]=4 13683 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,2,0,0,0,0|2,0,0]=4 13684 B13R0.336 CC/C=C\CNCCCCCCCO 2230a_100011996573_100103147603 [0,2,0,0,0,0|1,0,0]=3 13685 B13R0.336 CC/C=C\CNCCCCCCCO 34a_100011996573_100103147603 [0,2,0,0,0,0|1,0,0]=3 13686 B13R0.336 CC/C=C\CNCCCOCCCO 2230a_100011310245_100103147603 [0,2,0,0,0,0|2,0,0]=4 13687 B13R0.336 CC/C=C\CNCCCOCCCO 34a_100011310245_100103147603 [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.336 CC/C=C\COCCCCCCCBr 34a_100000760002_100103147603 [0,2,0,0,0,0|2,0,0]=4 13689 B13R0.336 CC/C=C\COCCCCCCCBr 7a_100000760002_100103147603 [0,2,0,0,0,0|2,0,0]=4 13690 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,2,0,0,0,0|2,0,0]=4 13691 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.336 CC/C=C\COCCCCCCCN 34a_100011996573_100103147603 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.336 CC/C=C\COCCCCCCCO 34a_100016268518_100000760002 [0,2,0,0,0,0|1,0,0]=3 13695 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [0,2,0,0,0,0|2,0,0]=4 13696 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [0,2,0,0,0,0|2,0,0]=4 13697 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100000760002_100103147603 [0,2,0,0,0,0|1,0,0]=3 13698 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100103147603_100000760002 [0,2,0,0,0,0|1,0,0]=3 13699 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.336 CC=C=CCCOCCCCCCF 34a_100011020354_100015922095 [0,2,0,0,0,0|2,0,0]=4 13701 B13R0.336 CC=C=CCCOCCCCCCO 34a_100011020354_100000766143 [0,2,0,0,0,0|1,0,0]=3 13702 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,2,0,0,0,0|1,0,0]=3 13703 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,2,0,0,0,0|1,0,0]=3 13704 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,2,0,0,0,0|0,0,0]=2 13705 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,2,0,0,0,0|2,0,0]=4 13706 B13R0.336 CC=CCCCOCCOCCOC 34a_100020645299_100000695917 [0,2,0,0,0,0|2,0,0]=4 13707 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,2,0,0,0,0|1,0,0]=3 13708 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,2,0,0,0,0|1,0,0]=3 13709 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,2,0,0,0,0|0,0,0]=2 13710 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,2,0,0,0,0|0,0,0]=2 13711 B13R0.336 CC=CCNCCOCCOCCO 2230a_100011998139_100000070051 [0,2,0,0,0,0|2,0,0]=4 13712 B13R0.336 CC=CCNCCOCCOCCO 34a_100011998139_100000070051 [0,2,0,0,0,0|2,0,0]=4 13713 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,2,0,0,0,0|1,0,0]=3 13714 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,2,0,0,0,0|1,0,0]=3 13715 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,2,0,0,0,0|1,0,0]=3 13716 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,2,0,0,0,0|1,0,0]=3 13717 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,2,0,0,0,0|1,0,0]=3 13718 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,2,0,0,0,0|1,0,0]=3 13719 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,2,0,0,0,0|1,0,0]=3 13720 B13R0.336 CC=CCOCCCCCNCCN 34a_103619048469_100000070051 [0,2,0,0,0,0|2,0,0]=4 13721 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [0,2,0,0,0,0|2,0,0]=4 13722 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [0,2,0,0,0,0|2,0,0]=4 13723 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [0,2,0,0,0,0|2,0,0]=4 13724 B13R0.336 CC=CCOCCCOCCCOC 34a_200011215475_100000070051 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.336 CC=CCOCCCOCCCOC 7a_200011215475_100000070051 [0,2,0,0,0,0|2,0,0]=4 13726 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [0,2,0,0,0,0|2,0,0]=4 13728 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [0,2,0,0,0,0|1,0,0]=3 13729 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,2,0,0,0,0|0,0,0]=2 13730 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,2,0,0,0,0|0,0,0]=2 13731 B13R0.336 CC=CCSCCOCCOCCO 62a_100000032323_100000070051 [0,2,0,0,0,0|2,0,0]=4 13732 B13R0.336 CC=CCSCCOCCOCCO 62a_100000070051_100000032323 [0,2,0,0,0,0|2,0,0]=4 13733 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 13734 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,2,0,0,0,0|0,0,2]=4 13735 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 13736 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 13737 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 13738 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 13739 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,2,0,0,0,0|0,0,2]=4 13740 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 13741 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 13742 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 13743 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,2,0,0,0,0|1,0,1]=4 13744 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,2,0,0,0,0|1,0,1]=4 13745 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 13746 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,2,0,0,0,0|0,0,2]=4 13747 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 13748 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,2,0,0,0,0|0,0,2]=4 13749 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,2,0,0,0,0|0,0,2]=4 13750 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,2,0,0,0,0|1,0,1]=4 13751 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,2,0,0,0,0|1,0,1]=4 13752 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 13753 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 13754 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,2,0,0,0,0|1,0,1]=4 13755 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,2,0,0,0,0|0,0,2]=4 13756 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,2,0,0,0,0|0,0,2]=4 13757 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 13758 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 13759 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,2,0,0,0,0|0,0,2]=4 13760 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 13761 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 13762 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,2,0,0,0,0|0,0,2]=4 13763 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,2,0,0,0,0|0,0,2]=4 13764 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,2,0,0,0,0|0,0,2]=4 13765 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,2,0,0,0,0|0,0,2]=4 13766 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,2,0,0,0,0|0,0,2]=4 13767 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,2,0,0,0,0|0,0,2]=4 13768 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,2,0,0,0,0|0,0,2]=4 13769 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,2,0,0,0,0|0,0,2]=4 13770 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,2,0,0,0,0|1,0,1]=4 13771 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,2,0,0,0,0|0,0,2]=4 13772 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 13773 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,2,0,0,0,0|0,0,2]=4 13774 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 13775 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 13776 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 13777 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,2,0,0,0,0|0,0,2]=4 13778 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,2,0,0,0,0|1,0,1]=4 13779 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,2,0,0,0,0|0,0,2]=4 13780 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,2,0,0,0,0|0,0,2]=4 13781 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 13782 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,2,0,0,0,0|0,0,2]=4 13783 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 13784 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,2,0,0,0,0|1,0,1]=4 13785 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,2,0,0,0,0|1,0,1]=4 13786 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,2,0,0,0,0|0,0,2]=4 13787 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,2,0,0,0,0|0,0,2]=4 13788 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,2,0,0,0,0|0,0,2]=4 13789 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,2,0,0,0,0|0,0,2]=4 13790 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,2,0,0,0,0|1,0,1]=4 13791 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,2,0,0,0,0|0,0,2]=4 13792 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,2,0,0,0,0|0,0,2]=4 13793 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,2,0,0,0,0|0,0,2]=4 13794 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,2,0,0,0,0|0,0,2]=4 13795 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,2,0,0,0,0|0,0,2]=4 13796 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,2,0,0,0,0|0,0,2]=4 13797 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,2,0,0,0,0|0,0,2]=4 13798 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,2,0,0,0,0|0,0,2]=4 13799 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,2,0,0,0,0|1,0,1]=4 13800 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 13801 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 13802 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,2,0,0,0,0|0,0,2]=4 13803 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,2,0,0,0,0|0,0,2]=4 13804 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,2,0,0,0,0|0,0,2]=4 13805 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,2,0,0,0,0|0,0,2]=4 13806 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,2,0,0,0,0|0,0,2]=4 13807 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,2,0,0,0,0|1,0,1]=4 13808 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,2,0,0,0,0|1,0,1]=4 13809 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,2,0,0,0,0|0,0,2]=4 13810 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,2,0,0,0,0|0,0,2]=4 13811 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,2,0,0,0,0|0,0,2]=4 13812 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,2,0,0,0,0|0,0,2]=4 13813 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,2,0,0,0,0|0,0,2]=4 13814 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,2,0,0,0,0|0,0,2]=4 13815 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,2,0,0,0,0|1,0,1]=4 13816 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,2,0,0,0,0|0,0,2]=4 13817 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 13818 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 13819 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 13820 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 13821 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,2,0,0,0,0|1,0,1]=4 13822 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 13823 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 13824 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,2,0,0,0,0|0,0,2]=4 13825 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,2,0,0,0,0|0,0,2]=4 13826 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,2,0,0,0,0|1,0,1]=4 13827 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,2,0,0,0,0|1,0,1]=4 13828 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,2,0,0,0,0|0,0,2]=4 13829 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,2,0,0,0,0|0,0,2]=4 13830 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,2,0,0,0,0|0,0,2]=4 13831 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,2,0,0,0,0|0,0,2]=4 13832 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,2,0,0,0,0|0,0,2]=4 13833 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,2,0,0,0,0|0,0,2]=4 13834 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,2,0,0,0,0|0,0,2]=4 13835 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,2,0,0,0,0|0,0,2]=4 13836 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,2,0,0,0,0|0,0,2]=4 13837 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 13838 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 13839 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 13840 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,2,0,0,0,0|0,0,2]=4 13841 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 13842 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,2,0,0,0,0|0,0,2]=4 13843 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,2,0,0,0,0|2,0,0]=4 13844 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,2,0,0,0,0|0,0,2]=4 13845 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,2,0,0,0,0|0,0,2]=4 13846 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,2,0,0,0,0|0,0,2]=4 13847 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,2,0,0,0,0|0,0,2]=4 13848 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,2,0,0,0,0|0,0,2]=4 13849 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,2,0,0,0,0|0,0,2]=4 13850 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,2,0,0,0,0|0,0,2]=4 13851 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,2,0,0,0,0|0,0,2]=4 13852 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,2,0,0,0,0|0,0,2]=4 13853 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,2,0,0,0,0|0,0,2]=4 13854 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,2,0,0,0,0|0,0,2]=4 13855 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 13856 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 13857 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,2,0,0,0,0|0,0,2]=4 13858 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,2,0,0,0,0|0,0,2]=4 13859 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,2,0,0,0,0|2,0,0]=4 13860 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,2,0,0,0,0|0,0,2]=4 13861 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,2,0,0,0,0|0,0,2]=4 13862 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,2,0,0,0,0|2,0,0]=4 13863 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,2,0,0,0,0|0,0,2]=4 13864 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,2,0,0,0,0|0,0,2]=4 13865 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 13866 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 13867 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,2,0,0,0,0|2,0,0]=4 13868 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 13869 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 13870 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,2,0,0,0,0|2,0,0]=4 13871 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,2,0,0,0,0|2,0,0]=4 13872 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,2,0,0,0,0|0,0,2]=4 13873 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,2,0,0,0,0|0,0,2]=4 13874 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 13875 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 13876 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,2,0,0,0,0|2,0,0]=4 13877 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,2,0,0,0,0|0,0,2]=4 13879 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,2,0,0,0,0|0,0,2]=4 13880 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,2,0,0,0,0|0,0,2]=4 13881 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,2,0,0,0,0|0,0,2]=4 13882 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,2,0,0,0,0|2,0,0]=4 13883 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,2,0,0,0,0|0,0,2]=4 13884 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,2,0,0,0,0|2,0,0]=4 13885 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 13886 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 13887 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 13888 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 13889 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,2,0,0,0,0|0,0,2]=4 13890 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,2,0,0,0,0|2,0,0]=4 13891 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 13892 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 13893 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,2,0,0,0,0|2,0,0]=4 13894 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 13895 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 13896 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 13897 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 13898 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,2,0,0,0,0|2,0,0]=4 13899 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 13900 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 13901 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,2,0,0,0,0|2,0,0]=4 13902 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,2,0,0,0,0|2,0,0]=4 13903 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,2,0,0,0,0|0,0,2]=4 13904 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,2,0,0,0,0|0,0,2]=4 13905 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,2,0,0,0,0|0,0,2]=4 13906 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,2,0,0,0,0|0,0,2]=4 13907 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,2,0,0,0,0|2,0,0]=4 13908 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,2,0,0,0,0|0,0,2]=4 13909 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,2,0,0,0,0|2,0,0]=4 13910 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 13911 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 13912 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 13913 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,2,0,0,0,0|0,0,2]=4 13914 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 13915 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,2,0,0,0,0|1,0,1]=4 13916 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,2,0,0,0,0|1,0,1]=4 13917 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,2,0,0,0,0|1,0,1]=4 13918 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,2,0,0,0,0|1,0,1]=4 13919 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,2,0,0,0,0|1,0,1]=4 13920 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,2,0,0,0,0|0,0,2]=4 13921 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 13922 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 13923 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 13924 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 13925 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,2,0,0,0,0|2,0,0]=4 13926 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 13927 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 13928 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 13929 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 13930 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,2,0,0,0,0|2,0,0]=4 13931 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 13932 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 13933 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,2,0,0,0,0|2,0,0]=4 13934 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,2,0,0,0,0|2,0,0]=4 13935 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,2,0,0,0,0|0,0,2]=4 13936 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,2,0,0,0,0|0,0,2]=4 13937 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,2,0,0,0,0|0,0,2]=4 13938 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 13939 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,2,0,0,0,0|0,0,2]=4 13940 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 13941 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 13942 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 13943 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,2,0,0,0,0|0,0,2]=4 13944 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,2,0,0,0,0|0,0,2]=4 13945 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,2,0,0,0,0|0,0,2]=4 13946 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,2,0,0,0,0|0,0,2]=4 13947 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,2,0,0,0,0|0,0,2]=4 13948 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,2,0,0,0,0|0,0,2]=4 13949 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,2,0,0,0,0|2,0,0]=4 13950 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 13951 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 13952 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,2,0,0,0,0|0,0,2]=4 13953 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 13954 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 13955 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 13956 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 13957 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,2,0,0,0,0|0,0,2]=4 13958 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,2,0,0,0,0|0,0,2]=4 13959 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 13960 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,2,0,0,0,0|0,0,2]=4 13961 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 13962 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,2,0,0,0,0|0,0,2]=4 13963 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,2,0,0,0,0|1,0,1]=4 13964 B13R0.336 CNCCCCCOCCOCCO 34a_100000722520_100000692535 [0,2,0,0,0,0|1,0,1]=4 13965 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,2,0,0,0,0|0,0,2]=4 13966 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,2,0,0,0,0|1,0,1]=4 13967 B13R0.336 CNCCOCCOCCCCCO 34a_100000228057_100000746330 [0,2,0,0,0,0|1,0,1]=4 13968 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 13969 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 13970 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,2,0,0,0,0|0,0,2]=4 13971 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 13972 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 13973 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,2,0,0,0,0|1,0,1]=4 13974 B13R0.336 COCCCCCCNCCCSC 2230a_100000749238_100011998445 [0,2,0,0,0,0|1,0,1]=4 13975 B13R0.336 COCCCCCCOCCCC#N 7a_200012092642_100000687738 [0,2,0,0,0,0|1,0,1]=4 13976 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,2,0,0,0,0|1,0,0]=3 13977 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,2,0,0,0,0|1,0,1]=4 13978 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,2,0,0,0,0|1,0,1]=4 13979 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,2,0,0,0,0|1,0,1]=4 13980 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,2,0,0,0,0|1,0,1]=4 13981 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,2,0,0,0,0|1,0,1]=4 13982 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,2,0,0,0,0|1,0,1]=4 13983 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,2,0,0,0,0|1,0,1]=4 13984 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,2,0,0,0,0|1,0,1]=4 13985 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,2,0,0,0,0|1,0,1]=4 13986 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,2,0,0,0,0|0,0,2]=4 13987 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,2,0,0,0,0|0,0,2]=4 13988 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,2,0,0,0,0|1,0,1]=4 13989 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,2,0,0,0,0|1,0,1]=4 13990 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,2,0,0,0,0|1,0,1]=4 13991 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,2,0,0,0,0|1,0,1]=4 13992 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,2,0,0,0,0|1,0,1]=4 13993 B13R0.336 COCCCCCCSCCCC#N 62a_100000687738_100011998445 [0,2,0,0,0,0|1,0,1]=4 13994 B13R0.336 COCCCCCCSCCCC#N 62a_100011998445_100000687738 [0,2,0,0,0,0|1,0,1]=4 13995 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,2,0,0,0,0|1,0,0]=3 13996 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,2,0,0,0,0|1,0,0]=3 13997 B13R0.336 COCCCCCCSCCCCF 62a_100000729493_100011998445 [0,2,0,0,0,0|1,0,1]=4 13998 B13R0.336 COCCCCCCSCCCCF 62a_100011998445_100000729493 [0,2,0,0,0,0|1,0,1]=4 13999 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,2,0,0,0,0|0,0,2]=4 14000 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,2,0,0,0,0|0,0,2]=4 14001 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,2,0,0,0,0|1,0,1]=4 14002 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,2,0,0,0,0|1,0,1]=4 14003 B13R0.336 COCCCCCNCCCCC#N 2230a_100000747528_100000211819 [0,2,0,0,0,0|1,0,1]=4 14004 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,2,0,0,0,0|1,0,0]=3 14005 B13R0.336 COCCCCCNCCCCCF 2230a_100000747528_100000729378 [0,2,0,0,0,0|1,0,1]=4 14006 B13R0.336 COCCCCCNCCCCCF 34a_100000747528_100000729378 [0,2,0,0,0,0|1,0,1]=4 14007 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 14008 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 14009 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,2,0,0,0,0|1,0,1]=4 14010 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,2,0,0,0,0|1,0,1]=4 14011 B13R0.336 COCCCCCNCCOCCO 2230a_100000747528_100011215305 [0,2,0,0,0,0|1,0,1]=4 14012 B13R0.336 COCCCCCNCCOCCO 34a_100000747528_100000692535 [0,2,0,0,0,0|1,0,1]=4 14013 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,2,0,0,0,0|0,0,2]=4 14014 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,2,0,0,0,0|0,0,2]=4 14015 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [0,2,0,0,0,0|1,0,1]=4 14016 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [0,2,0,0,0,0|1,0,1]=4 14017 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [0,2,0,0,0,0|1,0,1]=4 14018 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [0,2,0,0,0,0|1,0,1]=4 14019 B13R0.336 COCCCCOCCCCCCF 34a_100000732779_100000755781 [0,2,0,0,0,0|1,0,1]=4 14020 B13R0.336 COCCCCOCCCCCCF 34a_100000740925_100015922095 [0,2,0,0,0,0|1,0,1]=4 14021 B13R0.336 COCCCCOCCCCCCF 7a_100000732779_100000730899 [0,2,0,0,0,0|1,0,1]=4 14022 B13R0.336 COCCCCOCCCCCCN 34a_100000686447_100000755781 [0,2,0,0,0,0|1,0,1]=4 14023 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,2,0,0,0,0|0,0,2]=4 14024 B13R0.336 COCCCCSCCCCCC#N 62a_100000730899_100009813376 [0,2,0,0,0,0|1,0,1]=4 14025 B13R0.336 COCCCCSCCCCCC#N 62a_100009813376_100000730899 [0,2,0,0,0,0|1,0,1]=4 14026 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,2,0,0,0,0|1,0,0]=3 14027 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,2,0,0,0,0|1,0,0]=3 14028 B13R0.336 COCCCCSCCCCCCF 62a_100000730899_100015922095 [0,2,0,0,0,0|1,0,1]=4 14029 B13R0.336 COCCCCSCCCCCCF 62a_100015922095_100000730899 [0,2,0,0,0,0|1,0,1]=4 14030 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,2,0,0,0,0|0,0,2]=4 14031 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,2,0,0,0,0|0,0,2]=4 14032 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 14033 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 14034 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,2,0,0,0,0|0,0,2]=4 14035 B13R0.336 COCCCNCCCOCCCO 2230a_100011310245_100000740836 [0,2,0,0,0,0|1,0,1]=4 14036 B13R0.336 COCCCNCCCOCCCO 34a_100011310245_100000740836 [0,2,0,0,0,0|1,0,1]=4 14037 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,2,0,0,0,0|1,0,1]=4 14038 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,2,0,0,0,0|1,0,1]=4 14039 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,2,0,0,0,0|1,0,1]=4 14040 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,2,0,0,0,0|0,0,2]=4 14041 B13R0.336 COCCCOCCCOCCCO 34a_200011215475_100000230001 [0,2,0,0,0,0|1,0,1]=4 14042 B13R0.336 COCCCOCCCOCCCO 7a_200011215475_100011215043 [0,2,0,0,0,0|1,0,1]=4 14043 B13R0.336 COCCCSCCCCCCC#N 62a_100000709357_100009813337 [0,2,0,0,0,0|1,0,1]=4 14044 B13R0.336 COCCCSCCCCCCC#N 62a_100009813337_100000709357 [0,2,0,0,0,0|1,0,1]=4 14045 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,2,0,0,0,0|0,0,2]=4 14046 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,2,0,0,0,0|0,0,2]=4 14047 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,2,0,0,0,0|0,0,2]=4 14048 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 14049 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 14050 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,2,0,0,0,0|1,0,1]=4 14051 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,2,0,0,0,0|1,0,1]=4 14052 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,2,0,0,0,0|1,0,1]=4 14053 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,2,0,0,0,0|1,0,1]=4 14054 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,2,0,0,0,0|1,0,1]=4 14055 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,2,0,0,0,0|0,0,2]=4 14056 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,2,0,0,0,0|2,0,0]=4 14057 B13R0.336 COCCOCCCNCCCCO 2230a_100000206027_100000210776 [0,2,0,0,0,0|1,0,1]=4 14058 B13R0.336 COCCOCCCNCCCCO 2230a_100000750430_100011216529 [0,2,0,0,0,0|1,0,1]=4 14059 B13R0.336 COCCOCCCNCCCCO 34a_100000206027_100011216708 [0,2,0,0,0,0|1,0,1]=4 14060 B13R0.336 COCCOCCCNCCCCO 34a_100000750430_100011216529 [0,2,0,0,0,0|1,0,1]=4 14061 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,2,0,0,0,0|2,0,0]=4 14062 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,2,0,0,0,0|2,0,0]=4 14063 B13R0.336 COCCOCCCSCCCCO 62a_100000210776_100011216529 [0,2,0,0,0,0|1,0,1]=4 14064 B13R0.336 COCCOCCCSCCCCO 62a_100011216529_100000210776 [0,2,0,0,0,0|1,0,1]=4 14065 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,2,0,0,0,0|2,0,0]=4 14066 B13R0.336 COCCOCCNCCCCCO 2230a_100000745349_100000746330 [0,2,0,0,0,0|1,0,1]=4 14067 B13R0.336 COCCOCCNCCCCCO 2230a_100000762737_100000695917 [0,2,0,0,0,0|1,0,1]=4 14068 B13R0.336 COCCOCCNCCCCCO 34a_100000745349_100000746330 [0,2,0,0,0,0|1,0,1]=4 14069 B13R0.336 COCCOCCNCCCCCO 34a_100000762737_100000695917 [0,2,0,0,0,0|1,0,1]=4 14070 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.336 COCCOCCOCCCCCO 34a_100011215163_100000746330 [0,2,0,0,0,0|1,0,1]=4 14072 B13R0.336 COCCOCCOCCCCCO 7a_100011215163_100000746330 [0,2,0,0,0,0|1,0,1]=4 14073 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,2,0,0,0,0|2,0,0]=4 14074 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,2,0,0,0,0|2,0,0]=4 14075 B13R0.336 COCCOCCSCCCCCO 62a_100000695917_100000746330 [0,2,0,0,0,0|1,0,1]=4 14076 B13R0.336 COCCOCCSCCCCCO 62a_100000746330_100000695917 [0,2,0,0,0,0|1,0,1]=4 14077 B13R0.336 COCCOCNCCCCCCO 2230a_100000686447_100000231047 [0,2,0,0,0,0|1,0,1]=4 14078 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,2,0,0,0,0|2,0,0]=4 14080 B13R0.336 COCCOCSCCCCCCO 62a_100000231047_100000766143 [0,2,0,0,0,0|1,0,1]=4 14081 B13R0.336 COCCOCSCCCCCCO 62a_100000766143_100000231047 [0,2,0,0,0,0|1,0,1]=4 14082 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,2,0,0,0,0|0,0,2]=4 14083 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,2,0,0,0,0|0,0,2]=4 14084 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,2,0,0,0,0|0,0,2]=4 14085 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,2,0,0,0,0|0,0,2]=4 14086 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,2,0,0,0,0|0,0,2]=4 14087 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 14088 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,2,0,0,0,0|1,1,0]=4 14089 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 14090 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 14091 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,2,0,0,0,0|0,0,2]=4 14092 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 14093 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 14094 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,2,0,0,0,0|0,0,2]=4 14095 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,2,0,0,0,0|0,0,2]=4 14096 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,2,0,0,0,0|0,0,2]=4 14097 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 14098 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 14099 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,2,0,0,0,0|0,0,2]=4 14100 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,2,0,0,0,0|0,0,2]=4 14101 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 14102 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 14103 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,2,0,0,0,0|0,0,2]=4 14104 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,2,0,0,0,0|0,0,2]=4 14105 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,2,0,0,0,0|1,0,1]=4 14106 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,2,0,0,0,0|1,0,1]=4 14107 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,2,0,0,0,0|1,0,1]=4 14108 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,2,0,0,0,0|1,0,1]=4 14109 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [0,2,0,0,0,0|0,0,2]=4 14110 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,2,0,0,0,0|2,0,0]=4 14112 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [0,2,0,0,0,0|0,0,2]=4 14113 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [0,2,0,0,0,0|0,0,2]=4 14114 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [0,2,0,0,0,0|0,0,2]=4 14115 B13R0.336 N#CCCCCCNCCOCCO 2230a_100000211614_100009813376 [0,2,0,0,0,0|1,0,1]=4 14116 B13R0.336 N#CCCCCCNCCSCCO 2230a_100011219999_100009813376 [0,2,0,0,0,0|1,0,1]=4 14117 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,2,0,0,0,0|2,0,0]=4 14118 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,2,0,0,0,0|2,0,0]=4 14119 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [0,2,0,0,0,0|0,0,2]=4 14120 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [0,2,0,0,0,0|0,0,2]=4 14121 B13R0.336 N#CCCCCCSCCOCCO 62a_100009813376_100011215305 [0,2,0,0,0,0|1,0,1]=4 14122 B13R0.336 N#CCCCCCSCCOCCO 62a_100011215305_100009813376 [0,2,0,0,0,0|1,0,1]=4 14123 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [0,2,0,0,0,0|0,0,2]=4 14124 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,2,0,0,0,0|2,0,0]=4 14125 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,2,0,0,0,0|2,0,0]=4 14126 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [0,2,0,0,0,0|0,0,2]=4 14127 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [0,2,0,0,0,0|0,0,2]=4 14128 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [0,2,0,0,0,0|0,0,2]=4 14129 B13R0.336 N#CCCCNCCCOCCCO 2230a_100011310245_100000687738 [0,2,0,0,0,0|1,0,1]=4 14130 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [0,2,0,0,0,0|0,0,2]=4 14131 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [0,2,0,0,0,0|0,0,2]=4 14132 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [0,2,0,0,0,0|0,0,2]=4 14133 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [0,2,0,0,0,0|0,0,2]=4 14134 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [0,2,0,0,0,0|0,0,2]=4 14135 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [0,2,0,0,0,0|0,0,2]=4 14136 B13R0.336 N#CCOCCNCCCCCCO 2230a_100000686447_200000047693 [0,2,0,0,0,0|1,0,1]=4 14137 B13R0.336 N#CCOCCSCCCCCCO 62a_100000766143_200000047693 [0,2,0,0,0,0|1,0,1]=4 14138 B13R0.336 N#CCOCCSCCCCCCO 62a_200000047693_100000766143 [0,2,0,0,0,0|1,0,1]=4 14139 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [0,2,0,0,0,0|0,0,2]=4 14140 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [0,2,0,0,0,0|0,0,2]=4 14141 B13R0.336 N#CSCCSCCCCCCCO 62a_100000034367_100000760002 [0,2,0,0,0,0|1,0,1]=4 14142 B13R0.336 N#CSCCSCCCCCCCO 62a_100000760002_100000034367 [0,2,0,0,0,0|1,0,1]=4 14143 B13R0.336 N#CSCSCCCCCCCCO 62a_100000033203_100000211825 [0,2,0,0,0,0|1,0,1]=4 14144 B13R0.336 N#CSCSCCCCCCCCO 62a_100000211825_100000033203 [0,2,0,0,0,0|1,0,1]=4 14145 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,2,0,0,0,0|1,0,1]=4 14146 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,2,0,0,0,0|1,0,1]=4 14147 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 14148 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 14149 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 14150 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 14151 B13R0.336 NCCCCCCOCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,1]=4 14152 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 14153 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 14154 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,2,0,0,0,0|0,0,2]=4 14155 B13R0.336 NCCCOCCCOCCCCO 34a_100011310245_100011216708 [0,2,0,0,0,0|1,0,1]=4 14156 B13R0.336 NCCNCCCCCOCCCO 34a_103619048469_100000230001 [0,2,0,0,0,0|1,0,1]=4 14157 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,2,0,0,0,0|0,0,2]=4 14158 B13R0.336 NCCOCCOCCCCCCO 34a_100000211614_100000766143 [0,2,0,0,0,0|1,0,1]=4 14159 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,2,0,0,0,0|1,0,1]=4 14160 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,2,0,0,0,0|0,0,1]=3 14161 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,2,0,0,0,0|1,0,0]=3 14162 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,2,0,0,0,0|1,0,0]=3 14163 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,2,0,0,0,0|1,0,1]=4 14164 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,2,0,0,0,0|1,0,1]=4 14165 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,2,0,0,0,0|1,0,1]=4 14166 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,2,0,0,0,0|2,0,0]=4 14167 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,2,0,0,0,0|2,0,0]=4 14168 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,2,0,0,0,0|2,0,0]=4 14169 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,2,0,0,0,0|1,0,1]=4 14171 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,2,0,0,0,0|1,0,1]=4 14172 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,2,0,0,0,0|1,0,1]=4 14173 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,2,0,0,0,0|1,0,1]=4 14174 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,2,0,0,0,0|0,0,1]=3 14175 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,2,0,0,0,0|0,0,1]=3 14176 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,2,0,0,0,0|1,0,0]=3 14177 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,2,0,0,0,0|1,0,0]=3 14178 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,2,0,0,0,0|0,0,1]=3 14179 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,2,0,0,0,0|1,0,1]=4 14180 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,2,0,0,0,0|1,0,1]=4 14181 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,2,0,0,0,0|1,0,1]=4 14182 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,2,0,0,0,0|1,0,1]=4 14183 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,2,0,0,0,0|1,0,1]=4 14184 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,2,0,0,0,0|0,0,1]=3 14185 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,2,0,0,0,0|0,0,1]=3 14186 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,2,0,0,0,0|0,0,1]=3 14187 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,2,0,0,0,0|1,0,0]=3 14188 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,2,0,0,0,0|1,0,1]=4 14189 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,2,0,0,0,0|0,0,1]=3 14190 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,2,0,0,0,0|0,0,1]=3 14191 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,2,0,0,0,0|0,0,1]=3 14192 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,1]=3 14193 B13R0.336 O=CCNCCCOCCOCCO 2230a_100011996194_200015260668 [0,2,0,0,0,0|2,0,0]=4 14194 B13R0.336 O=CCNCCCOCCOCCO 34a_100011996194_200009817547 [0,2,0,0,0,0|2,0,0]=4 14195 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,2,0,0,0,0|1,0,1]=4 14196 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,2,0,0,0,0|1,0,1]=4 14197 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,2,0,0,0,0|1,0,1]=4 14198 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,2,0,0,0,0|1,0,1]=4 14199 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,2,0,0,0,0|0,0,1]=3 14200 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,2,0,0,0,0|0,0,1]=3 14201 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,2,0,0,0,0|0,0,2]=4 14202 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,2,0,0,0,0|0,0,2]=4 14203 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,2,0,0,0,0|0,0,2]=4 14204 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 14205 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 14206 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,2,0,0,0,0|0,0,2]=4 14207 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 14208 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,2,0,0,0,0|0,0,2]=4 14209 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 14210 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,2,0,0,0,0|0,0,2]=4 14211 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 14212 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,2,0,0,0,0|0,0,2]=4 14213 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,2,0,0,0,0|0,0,2]=4 14214 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 14215 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 14216 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 14217 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 14218 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 14219 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 14220 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 14221 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 14222 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,2,0,0,0,0|0,0,2]=4 14223 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,2,0,0,0,0|0,0,2]=4 14224 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,2,0,0,0,0|0,0,2]=4 14225 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,2,0,0,0,0|0,0,2]=4 14226 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,2,0,0,0,0|0,0,2]=4 14227 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 14228 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,2,0,0,0,0|0,0,2]=4 14229 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 14230 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 14231 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 14232 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,2,0,0,0,0|0,0,2]=4 14233 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 14234 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 14235 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,2,0,0,0,0|0,0,2]=4 14236 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 14237 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 14238 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 14239 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 14240 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,2,0,0,0,0|0,0,2]=4 14241 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,2,0,0,0,0|0,0,2]=4 14242 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,2,0,0,0,0|0,0,2]=4 14243 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 14244 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 14245 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 14246 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 14247 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 14248 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 14249 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 14250 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 14251 B13R0.336 OCCCCCCNCCOCCO 2230a_100000211614_100000766143 [0,2,0,0,0,0|1,0,1]=4 14252 B13R0.336 OCCCCCCNCCOCCO 2230a_100000686447_100011215305 [0,2,0,0,0,0|1,0,1]=4 14253 B13R0.336 OCCCCCCNCCOCCO 34a_100000211614_100000766143 [0,2,0,0,0,0|1,0,1]=4 14254 B13R0.336 OCCCCCCNCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,1]=4 14255 B13R0.336 OCCCCCCNCCSCCO 2230a_100011219999_100000766143 [0,2,0,0,0,0|1,0,1]=4 14256 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 14257 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 14258 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 14259 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 14260 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 14261 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 14262 B13R0.336 OCCCCCCOCCOCCBr 34a_100000692535_100000766143 [0,2,0,0,0,0|1,0,1]=4 14263 B13R0.336 OCCCCCCOCCOCCBr 7a_100000692535_100000766143 [0,2,0,0,0,0|1,0,1]=4 14264 B13R0.336 OCCCCCCOCCOCCCl 34a_100011215305_100000766143 [0,2,0,0,0,0|1,0,1]=4 14265 B13R0.336 OCCCCCCOCCOCCCl 7a_100011215305_100000766143 [0,2,0,0,0,0|1,0,1]=4 14266 B13R0.336 OCCCCCCOCCOCCF 34a_200015357709_100000766143 [0,2,0,0,0,0|1,0,1]=4 14267 B13R0.336 OCCCCCCOCCOCCF 7a_200015357709_100000766143 [0,2,0,0,0,0|1,0,1]=4 14268 B13R0.336 OCCCCCCOCCOCCI 34a_100012149058_100000766143 [0,2,0,0,0,0|1,0,1]=4 14269 B13R0.336 OCCCCCCOCCOCCI 7a_100012149058_100000766143 [0,2,0,0,0,0|1,0,1]=4 14270 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,2,0,0,0,0|0,0,2]=4 14271 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,2,0,0,0,0|0,0,2]=4 14272 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 14273 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 14274 B13R0.336 OCCCCCCSCCOCCO 62a_100000766143_100011215305 [0,2,0,0,0,0|1,0,1]=4 14275 B13R0.336 OCCCCCCSCCOCCO 62a_100011215305_100000766143 [0,2,0,0,0,0|1,0,1]=4 14276 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 14277 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 14278 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 14279 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 14280 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 14281 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 14282 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 14283 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 14284 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,2,0,0,0,0|0,0,2]=4 14285 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,2,0,0,0,0|0,0,2]=4 14286 B13R0.336 OCCCCNCCCOCCCO 2230a_100011310245_100000210776 [0,2,0,0,0,0|1,0,1]=4 14287 B13R0.336 OCCCCNCCCOCCCO 34a_100011310245_100011216708 [0,2,0,0,0,0|1,0,1]=4 14288 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,2,0,0,0,0|0,0,2]=4 14289 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 14290 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,2,0,0,0,0|0,0,2]=4 14291 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,2,0,0,0,0|0,0,2]=4 14292 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,2,0,0,0,0|0,0,2]=4 14293 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 14294 B13R0.336 OCCCOCCCNCCCCF 2230a_100011310245_100000729493 [0,2,0,0,0,0|1,0,1]=4 14295 B13R0.336 OCCCOCCCNCCCCF 34a_100011310245_100000729493 [0,2,0,0,0,0|1,0,1]=4 14296 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 14297 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 14298 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 14299 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 14300 B13R0.336 OCCOCCNCCCCCCF 2230a_100000211614_100015922095 [0,2,0,0,0,0|1,0,1]=4 14301 B13R0.336 OCCOCCNCCCCCCF 34a_100000211614_100015922095 [0,2,0,0,0,0|1,0,1]=4 14302 B13R0.336 OCCOCCOCCCCCCBr 34a_100011215345_100000692535 [0,2,0,0,0,0|1,0,1]=4 14303 B13R0.336 OCCOCCOCCCCCCBr 7a_100011215345_100011215305 [0,2,0,0,0,0|1,0,1]=4 14304 B13R0.336 OCCOCCOCCCCCCCl 34a_100000766143_100000692535 [0,2,0,0,0,0|1,0,1]=4 14305 B13R0.336 OCCOCCOCCCCCCCl 7a_100000766143_100011215305 [0,2,0,0,0,0|1,0,1]=4 14306 B13R0.336 OCCOCCOCCCCCCF 34a_100000732779_100000692535 [0,2,0,0,0,0|1,0,1]=4 14307 B13R0.336 OCCOCCOCCCCCCF 7a_100000732779_100011215305 [0,2,0,0,0,0|1,0,1]=4 14308 B13R0.336 OCCOCCSCCCCCCF 62a_100011215305_100015922095 [0,2,0,0,0,0|1,0,1]=4 14309 B13R0.336 OCCOCCSCCCCCCF 62a_100015922095_100011215305 [0,2,0,0,0,0|1,0,1]=4 14310 B13R0.336 OCCSCCNCCCCCCF 2230a_100011219999_100015922095 [0,2,0,0,0,0|1,0,1]=4 14311 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 14312 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 14313 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 14314 B13R0.336 [N-]=[N+]=NCCCCCCNCCCO 2230a_200000049180_100000230001 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.336 [N-]=[N+]=NCCCCNCCCCCO 2230a_100000101370_100000746330 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.336 [N-]=[N+]=NCCCNCCCCCCO 2230a_100000744732_100000766143 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.338 C#CCCCC(=O)CCCCCC=C 1458a_100000690238_100000700193 [0,2,0,0,0,0|1,0,1]=4 14318 B13R0.338 C#CCCCC(=O)CCCCCC=C 1458a_100011934241_100000731252 [0,2,0,0,0,0|1,0,1]=4 14319 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100000690238_100000766143 [0,2,0,0,0,0|0,0,2]=4 14320 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100011996774_100000731252 [0,2,0,0,0,0|0,0,2]=4 14321 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000694772_100000757094 [0,2,0,0,0,0|1,0,1]=4 14322 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000766728_100012094781 [0,2,0,0,0,0|1,0,1]=4 14323 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000694772_100000210776 [0,2,0,0,0,0|0,0,2]=4 14324 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000695505_100012094781 [0,2,0,0,0,0|0,0,2]=4 14325 B13R0.338 C#CCCCCCN(C)CCCCO 2230a_100000717598_100012094781 [0,2,0,0,0,0|0,0,2]=4 14326 B13R0.338 C#CCCCCCN(C)CCCCO 269982a_100000717598_100012094781 [0,2,0,0,0,0|0,0,2]=4 14327 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,2,0,0,0,0|2,0,0]=4 14329 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,2,0,0,0,0|2,0,0]=4 14330 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_100102629194_200011218727 [0,2,0,0,0,0|2,0,0]=4 14331 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_200011218727_100102629194 [0,2,0,0,0,0|2,0,0]=4 14332 B13R0.338 C=CCCCC(=O)CCCCCC#N 1458a_100000766728_100009813376 [0,2,0,0,0,0|1,0,1]=4 14333 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,0]=3 14334 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,0]=3 14335 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,2,0,0,0,0|1,0,0]=3 14336 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|0,0,0]=2 14337 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|0,0,0]=2 14338 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,2,0,0,0,0|0,0,1]=3 14339 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,2,0,0,0,0|1,0,1]=4 14340 B13R0.338 C=CCCCC(=O)CCOCCOC 1458a_100000745395_100000757094 [0,2,0,0,0,0|1,0,1]=4 14341 B13R0.338 C=CCCCC(=O)CCOCCOC 1458a_100000766728_100000695917 [0,2,0,0,0,0|1,0,1]=4 14342 B13R0.338 C=CCCCC(=O)NCCCCCC 11a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 14343 B13R0.338 C=CCCCC(=O)NCCCCCC 1626a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 14344 B13R0.338 C=CCCCC(=O)NCCCCCC 240690a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 14345 B13R0.338 C=CCCCC(=O)NCCCCCC 527a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 14346 B13R0.338 C=CCCCC(=O)NCCCCCO 240690a_100000762737_100000766728 [0,2,0,0,0,0|0,0,1]=3 14347 B13R0.338 C=CCCCC(=O)NCCOCCO 240690a_100000211614_100000766728 [0,2,0,0,0,0|1,0,1]=4 14348 B13R0.338 C=CCCCC(=O)NCCSCCO 240690a_100011219999_100000766728 [0,2,0,0,0,0|1,0,1]=4 14349 B13R0.338 C=CCCCC(=O)NCCSCCO 527a_100011219999_100000766728 [0,2,0,0,0,0|1,0,1]=4 14350 B13R0.338 C=CCCCCCC(=O)CC#CCO 1458a_100011934241_200000047223 [0,2,0,0,0,0|0,0,2]=4 14351 B13R0.338 C=CCCCCCC(=O)CCCC#N 1458a_100000075515_100000700193 [0,2,0,0,0,0|1,0,1]=4 14352 B13R0.338 C=CCCCCCC(=O)CCCC#N 1458a_100011934241_100000211468 [0,2,0,0,0,0|1,0,1]=4 14353 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100000766728_100000700193 [0,2,0,0,0,0|1,0,1]=4 14354 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100011934241_100000757094 [0,2,0,0,0,0|1,0,1]=4 14355 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,2,0,0,0,0|1,0,0]=3 14356 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,2,0,0,0,0|1,0,0]=3 14357 B13R0.338 C=CCCCCCC(=O)CCCCF 1458a_100011934241_100000729493 [0,2,0,0,0,0|1,0,0]=3 14358 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,2,0,0,0,0|0,0,0]=2 14359 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,2,0,0,0,0|0,0,0]=2 14360 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [0,2,0,0,0,0|0,0,1]=3 14361 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [0,2,0,0,0,0|0,0,1]=3 14362 B13R0.338 C=CCCCCCC(=O)CCCSC 1458a_100000173376_100000700193 [0,2,0,0,0,0|0,1,1]=4 14363 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100000749530_100000700193 [0,2,0,0,0,0|1,0,1]=4 14364 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100011934241_100011215890 [0,2,0,0,0,0|1,0,1]=4 14365 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100000230768_100000700193 [0,2,0,0,0,0|1,0,1]=4 14366 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100011934241_100000757381 [0,2,0,0,0,0|1,0,1]=4 14367 B13R0.338 C=CCCCCCC(=O)COCCC 1458a_100000745993_100000700193 [0,2,0,0,0,0|1,0,1]=4 14368 B13R0.338 C=CCCCCCC(=O)COCCO 1458a_100000708028_100000700193 [0,2,0,0,0,0|0,0,1]=3 14369 B13R0.338 C=CCCCCCC(=O)CSCCC 1458a_100000217233_100000700193 [0,2,0,0,0,0|1,0,1]=4 14370 B13R0.338 C=CCCCCCC(=O)NCCCC 11a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 14371 B13R0.338 C=CCCCCCC(=O)NCCCC 1626a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 14372 B13R0.338 C=CCCCCCC(=O)NCCCC 240690a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 14373 B13R0.338 C=CCCCCCC(=O)NCCCC 527a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 14374 B13R0.338 C=CCCCCCC(=O)NCCCF 11a_100015189416_100011934241 [0,2,0,0,0,0|1,0,1]=4 14375 B13R0.338 C=CCCCCCC(=O)NCCCF 1626a_100015189416_100011934241 [0,2,0,0,0,0|1,0,1]=4 14376 B13R0.338 C=CCCCCCC(=O)NCCCF 240690a_100015189416_100011934241 [0,2,0,0,0,0|1,0,1]=4 14377 B13R0.338 C=CCCCCCC(=O)NCCCF 527a_100015189416_100011934241 [0,2,0,0,0,0|1,0,1]=4 14378 B13R0.338 C=CCCCCCC(=O)NCCCO 240690a_100000182051_100011934241 [0,2,0,0,0,0|0,0,1]=3 14379 B13R0.338 C=CCCCCCC(=O)NCCCO 527a_100000182051_100011934241 [0,2,0,0,0,0|0,0,1]=3 14380 B13R0.338 C=CCCCCCC(=O)NCCOC 1626a_100000209980_100011934241 [0,2,0,0,0,0|1,0,1]=4 14381 B13R0.338 C=CCCCCCC(=O)NCCOC 240690a_100000209980_100011934241 [0,2,0,0,0,0|1,0,1]=4 14382 B13R0.338 C=CCCCCCC(=O)NCCOC 527a_100000209980_100011934241 [0,2,0,0,0,0|1,0,1]=4 14383 B13R0.338 C=CCCCCCC(=O)NNCCO 22a_100000210001_100011934241 [0,2,0,0,0,0|1,0,1]=4 14384 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,2,0,0,0,0|1,0,0]=3 14385 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,2,0,0,0,0|1,0,0]=3 14386 B13R0.338 C=CCCCCCN(C)CCCCO 2230a_100000717598_100000700193 [0,2,0,0,0,0|0,0,0]=2 14387 B13R0.338 C=CCCCCCN(C)CCCCO 269982a_100000717598_100000700193 [0,2,0,0,0,0|0,0,0]=2 14388 B13R0.338 C=CCCCCCN(C)CCCOC 2230a_100000224831_100000700193 [0,2,0,0,0,0|1,0,0]=3 14389 B13R0.338 C=CCCCCCN(C)CCCOC 269982a_100000224831_100000700193 [0,2,0,0,0,0|1,0,0]=3 14390 B13R0.338 C=CCCCCNC(=O)CCCCC 11a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 14391 B13R0.338 C=CCCCCNC(=O)CCCCC 1626a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 14392 B13R0.338 C=CCCCCNC(=O)CCCCC 240690a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 14393 B13R0.338 C=CCCCCNC(=O)CCCCC 527a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 14394 B13R0.338 C=CCCCCNC(=O)CCCCO 1626a_100000703577_100000695505 [0,2,0,0,0,0|0,0,1]=3 14395 B13R0.338 C=CCCCCNC(=O)CCCOC 11a_100000703577_100000741012 [0,2,0,0,0,0|1,0,1]=4 14396 B13R0.338 C=CCCCCNC(=O)CCCOC 1626a_100000703577_100000741012 [0,2,0,0,0,0|1,0,1]=4 14397 B13R0.338 C=CCCCCNC(=O)CCCOC 240690a_100000703577_100000741012 [0,2,0,0,0,0|1,0,1]=4 14398 B13R0.338 C=CCCCCNC(=O)CCCOC 527a_100000703577_100000741012 [0,2,0,0,0,0|1,0,1]=4 14399 B13R0.338 C=CCCCCNC(=O)COCCO 1626a_100000703577_100000708028 [0,2,0,0,0,0|1,0,1]=4 14400 B13R0.338 C=CCCCCNC(=O)COCCO 240690a_100000703577_100000708028 [0,2,0,0,0,0|1,0,1]=4 14401 B13R0.338 C=CCCCCNC(=O)NCCCO 2708a_100000703577_100000182051 [0,2,0,0,0,0|1,0,1]=4 14402 B13R0.338 C=CCCCCNC(=O)NCCCO 273464a_100000182051_100000703577 [0,2,0,0,0,0|1,0,1]=4 14403 B13R0.338 C=CCCCCNC(=O)NCCCO 273464a_100000703577_100000182051 [0,2,0,0,0,0|1,0,1]=4 14404 B13R0.338 C=CCCCCNC(=O)NCCCO 512a_100000703577_100000182051 [0,2,0,0,0,0|1,0,1]=4 14405 B13R0.338 C=CCCCCNC(C)CCCC#N 270004a_100000703577_200000032708 [0,2,0,0,0,0|1,0,1]=4 14406 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,2,0,0,0,0|1,0,0]=3 14407 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,2,0,0,0,0|1,0,0]=3 14408 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,2,0,0,0,0|1,0,0]=3 14409 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,2,0,0,0,0|1,0,0]=3 14410 B13R0.338 C=CCCCCNC(C)CCCSC 270004a_100000703577_100011399439 [0,2,0,0,0,0|1,1,0]=4 14411 B13R0.338 C=CCCCCNC(C)CCOCC 270004a_100000703577_200011216536 [0,2,0,0,0,0|2,0,0]=4 14412 B13R0.338 C=CCCCCNC(C)CSCCC 270004a_100000703577_100011343953 [0,2,0,0,0,0|2,0,0]=4 14413 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,2,0,0,0,0|1,0,0]=3 14414 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,2,0,0,0,0|1,0,0]=3 14415 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,2,0,0,0,0|1,0,0]=3 14416 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,2,0,0,0,0|1,0,0]=3 14417 B13R0.338 C=CCCCCOC(C)CCCOC 34a_200011539412_100011215482 [0,2,0,0,0,0|1,0,0]=3 14418 B13R0.338 C=CCCCCOC(C)CCCOC 7a_200011539412_100011215482 [0,2,0,0,0,0|1,0,0]=3 14419 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [0,2,0,0,0,0|1,0,0]=3 14420 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [0,2,0,0,0,0|1,0,0]=3 14421 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,2,0,0,0,0|1,0,0]=3 14422 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,2,0,0,0,0|1,0,0]=3 14423 B13R0.338 C=CCCCNCC(=O)CCCCC 2230a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 14424 B13R0.338 C=CCCCNCC(=O)CCCCC 34a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 14425 B13R0.338 C=CCCCOCC(=O)CCCCC 34a_100000758997_200012276598 [0,2,0,0,0,0|1,0,1]=4 14426 B13R0.338 C=CCCCOCC(=O)CCCCC 7a_100000758997_200012276598 [0,2,0,0,0,0|1,0,1]=4 14427 B13R0.338 C=CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000757094 [0,2,0,0,0,0|1,0,0]=3 14428 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_100011713584_200012276598 [0,2,0,0,0,0|1,0,1]=4 14429 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_200012276598_100000757094 [0,2,0,0,0,0|1,0,1]=4 14430 B13R0.338 C=CCCNC(=O)CCCCCCC 11a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 14431 B13R0.338 C=CCCNC(=O)CCCCCCC 1626a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 14432 B13R0.338 C=CCCNC(=O)CCCCCCC 240690a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 14433 B13R0.338 C=CCCNC(=O)CCCCCCC 527a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 14434 B13R0.338 C=CCCNC(=O)CCCCCCO 240690a_100015191253_100011996774 [0,2,0,0,0,0|0,0,1]=3 14435 B13R0.338 C=CCCNC(=O)CCCCCOC 11a_100015191253_100011935119 [0,2,0,0,0,0|1,0,1]=4 14436 B13R0.338 C=CCCNC(=O)CCCCCOC 1626a_100015191253_100011935119 [0,2,0,0,0,0|1,0,1]=4 14437 B13R0.338 C=CCCNC(=O)CCCCCOC 240690a_100015191253_100011935119 [0,2,0,0,0,0|1,0,1]=4 14438 B13R0.338 C=CCCNC(=O)CCCCCOC 527a_100015191253_100011935119 [0,2,0,0,0,0|1,0,1]=4 14439 B13R0.338 C=CCCNC(=O)NCCCCCO 2708a_100015191253_100000762737 [0,2,0,0,0,0|1,0,1]=4 14440 B13R0.338 C=CCCNC(=O)NCCCCCO 273464a_100000762737_100015191253 [0,2,0,0,0,0|1,0,1]=4 14441 B13R0.338 C=CCCNC(=O)NCCCCCO 273464a_100015191253_100000762737 [0,2,0,0,0,0|1,0,1]=4 14442 B13R0.338 C=CCCNC(=O)NCCCCCO 512a_100000762737_100015191253 [0,2,0,0,0,0|1,0,1]=4 14443 B13R0.338 C=CCCNC(=O)NCCCCCO 512a_100015191253_100000762737 [0,2,0,0,0,0|1,0,1]=4 14444 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,2,0,0,0,0|1,0,0]=3 14445 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,2,0,0,0,0|1,0,0]=3 14446 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,0]=3 14447 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,0]=3 14448 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,0]=3 14449 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [0,2,0,0,0,0|1,0,0]=3 14450 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [0,2,0,0,0,0|1,0,0]=3 14451 B13R0.338 C=CCOCCOC(C)CCCCC 34a_100000037705_200011218191 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.338 C=CCOCCOC(C)CCCCC 7a_100000037705_200011218191 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.338 C=CCSCC(=O)CCCCCCC 1458a_100000230395_100000210614 [0,2,0,0,0,0|1,0,1]=4 14454 B13R0.338 C=CCSCC(=O)CCCCCCF 1458a_100000230395_100015922095 [0,2,0,0,0,0|1,0,1]=4 14455 B13R0.338 C=CCSCC(=O)CCCCCCO 1458a_100000230395_100000766143 [0,2,0,0,0,0|0,0,1]=3 14456 B13R0.338 C=CCSCC(=O)NCCCCCO 240690a_100000762737_100000230395 [0,2,0,0,0,0|1,0,1]=4 14457 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,2,0,0,0,0|1,0,1]=4 14458 B13R0.338 C=COCCC(=O)CCCCCCO 1458a_100011996774_100000039644 [0,2,0,0,0,0|0,0,1]=3 14459 B13R0.338 C=COCCC(=O)CCCCCOC 1458a_100011935119_100000039644 [0,2,0,0,0,0|1,0,1]=4 14460 B13R0.338 C=COCCCNC(=O)CCCCO 1626a_100000210767_100000695505 [0,2,0,0,0,0|1,0,1]=4 14461 B13R0.338 C=COCCCNC(C)CCCCC 2230a_100000210767_200011218191 [0,2,0,0,0,0|2,0,0]=4 14462 B13R0.338 C=COCCCNC(C)CCCCC 270004a_100000210767_100000211708 [0,2,0,0,0,0|2,0,0]=4 14463 B13R0.338 C=COCCCNC(C)CCCCC 34a_100000210767_200011218191 [0,2,0,0,0,0|2,0,0]=4 14464 B13R0.338 C=COCCN(C)CCCCCCC 2230a_100000228206_100000039644 [0,2,0,0,0,0|2,0,0]=4 14465 B13R0.338 C=COCCN(C)CCCCCCC 269982a_100000228206_100000039644 [0,2,0,0,0,0|2,0,0]=4 14466 B13R0.338 C=COCCOC[C@@H](N)CCCCN 34a_100016993712_100000039644 [0,2,0,0,0,0|2,0,0]=4 14467 B13R0.338 CC(CCCC#N)NCCCCCO 270004a_100000762737_200000032708 [0,2,0,0,0,0|1,0,1]=4 14468 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,2,0,0,0,0|2,0,0]=4 14469 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,2,0,0,0,0|2,0,0]=4 14470 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.338 CC=CCSC(C)CCCCCCC 62a_100000070051_200011218727 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.338 CC=CCSC(C)CCCCCCC 62a_200011218727_100000070051 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|0,0,2]=4 14474 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|0,0,2]=4 14475 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [0,2,0,0,0,0|0,0,2]=4 14477 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 14478 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [0,2,0,0,0,0|0,0,2]=4 14479 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 14480 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 14482 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 14483 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,2,0,0,0,0|2,0,0]=4 14485 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [0,2,0,0,0,0|0,0,2]=4 14486 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [0,2,0,0,0,0|0,0,2]=4 14487 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|0,0,2]=4 14488 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|0,0,2]=4 14489 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [0,2,0,0,0,0|0,0,2]=4 14490 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,2,0,0,0,0|0,0,2]=4 14491 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,2,0,0,0,0|0,0,2]=4 14492 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [0,2,0,0,0,0|0,0,2]=4 14493 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [0,2,0,0,0,0|0,0,2]=4 14494 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,2,0,0,0,0|2,0,0]=4 14496 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 14497 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 14498 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 14499 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 14500 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,2,0,0,0,0|2,0,0]=4 14501 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,2,0,0,0,0|2,0,0]=4 14502 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 14503 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 14504 B13R0.338 CN(CCCCO)CCCCCC#N 2230a_100000717598_100009813376 [0,2,0,0,0,0|1,0,1]=4 14505 B13R0.338 CN(CCCCO)CCCCCC#N 269982a_100000717598_100009813376 [0,2,0,0,0,0|1,0,1]=4 14506 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,2,0,0,0,0|1,0,0]=3 14507 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,2,0,0,0,0|1,0,0]=3 14508 B13R0.338 CN(CCCCO)CCCCCCF 2230a_100000717598_100015922095 [0,2,0,0,0,0|1,0,1]=4 14509 B13R0.338 CN(CCCCO)CCCCCCF 269982a_100000717598_100015922095 [0,2,0,0,0,0|1,0,1]=4 14510 B13R0.338 CN(CCCCO)CCCCCCO 2230a_100000717598_100000766143 [0,2,0,0,0,0|1,0,1]=4 14511 B13R0.338 CN(CCCCO)CCCCCCO 269982a_100000717598_100000766143 [0,2,0,0,0,0|1,0,1]=4 14512 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100000741012_100000766143 [0,2,0,0,0,0|1,0,1]=4 14513 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100011996774_100000740836 [0,2,0,0,0,0|1,0,1]=4 14514 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [0,2,0,0,0,0|2,0,0]=4 14515 B13R0.338 COCCCC(C)OCCCCCO 34a_200011539412_100000746330 [0,2,0,0,0,0|1,0,1]=4 14516 B13R0.338 COCCCC(C)OCCCCCO 7a_200011539412_100000746330 [0,2,0,0,0,0|1,0,1]=4 14517 B13R0.338 COCCCCCC(=O)CCCCO 1458a_100011935119_100000210776 [0,2,0,0,0,0|1,0,1]=4 14518 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [0,2,0,0,0,0|2,0,0]=4 14519 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.338 COCCCN(C)CCCCCCO 2230a_100000224831_100000766143 [0,2,0,0,0,0|1,0,1]=4 14521 B13R0.338 COCCCN(C)CCCCCCO 269982a_100000224831_100000766143 [0,2,0,0,0,0|1,0,1]=4 14522 B13R0.338 CSCCCC(=O)CCCCCCO 1458a_100000173376_100000766143 [0,2,0,0,0,0|1,0,1]=4 14523 B13R0.338 CSCCCC(C)NCCCCCO 270004a_100000762737_100011399439 [0,2,0,0,0,0|1,0,1]=4 14524 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100000075515_100000766143 [0,2,0,0,0,0|1,0,1]=4 14525 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100011996774_100000211468 [0,2,0,0,0,0|1,0,1]=4 14526 B13R0.338 N#CCCCCCC(=O)CCCCO 1458a_100000695505_100009813376 [0,2,0,0,0,0|1,0,1]=4 14527 B13R0.338 NCCCC[C@H](N)COCCCCO 34a_100016993712_100011216708 [0,2,0,0,0,0|1,0,1]=4 14528 B13R0.338 O=C(CCCCF)CCCCCCO 1458a_100011996774_100000729493 [0,2,0,0,0,0|1,0,1]=4 14529 B13R0.338 O=C(CCCCO)CCCCCCF 1458a_100000695505_100015922095 [0,2,0,0,0,0|1,0,1]=4 14530 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100000695505_100000766143 [0,2,0,0,0,0|1,0,1]=4 14531 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100011996774_100000210776 [0,2,0,0,0,0|1,0,1]=4 14532 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,2,0,0,0,0|2,0,0]=4 14533 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 14534 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 14535 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 14536 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|2,0,0]=4 14537 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 14538 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [0,2,0,0,0,0|2,0,0]=4 14539 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [0,2,0,0,0,0|2,0,0]=4 14540 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011215552_100011214892 [0,2,0,0,0,0|1,0,1]=4 14541 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011216857_100011215482 [0,2,0,0,0,0|1,0,1]=4 14542 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,2,0,0,0,0|0,0,1]=3 14543 B13R0.1 C=CCCCCC(=O)NCCC(C)O 240690a_200000755665_100011215552 [0,2,0,0,0,0|1,0,1]=4 14544 B13R0.1 C=CCCCCC(=O)NCCC(C)O 527a_200000755665_100011215552 [0,2,0,0,0,0|1,0,1]=4 14545 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,2,0,0,0,0|1,0,1]=4 14546 B13R0.1 C=CCCCCN(C)CCCC(C)C 2230a_100012000471_100011214892 [0,2,0,0,0,0|2,0,0]=4 14547 B13R0.1 C=CCCCCN(C)CCCC(C)C 269982a_100012000471_100011214892 [0,2,0,0,0,0|2,0,0]=4 14548 B13R0.1 C=CCCCCN(C)CCCC(C)O 2230a_100012000471_200000718107 [0,2,0,0,0,0|1,0,0]=3 14549 B13R0.1 C=CCCCCN(C)CCCC(C)O 269982a_100012000471_200000718107 [0,2,0,0,0,0|1,0,0]=3 14550 B13R0.1 C=CCCCNC(=O)CCCC(C)O 1626a_100000700776_100000761597 [0,2,0,0,0,0|1,0,1]=4 14551 B13R0.1 C=CCCCNC(=O)CCCC(C)O 527a_100000700776_100000761597 [0,2,0,0,0,0|1,0,1]=4 14552 B13R0.1 C=CCCCNC(C)CCCC(C)C 2230a_100000210607_100011713584 [0,2,0,0,0,0|2,0,0]=4 14553 B13R0.1 C=CCCCNC(C)CCCC(C)C 270004a_100000700776_100000753411 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.1 C=CCCCOC(C)CCCC(C)C 34a_200011218570_100000757094 [0,2,0,0,0,0|2,0,0]=4 14555 B13R0.1 C=CCCCOC(C)CCCC(C)C 7a_200011218570_100000757094 [0,2,0,0,0,0|2,0,0]=4 14556 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_100020586998_100009816328 [0,2,0,0,0,0|2,0,0]=4 14557 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210623 [0,2,0,0,0,0|2,0,0]=4 14558 B13R0.1 C=CCOCCC(=O)CCCC(C)O 1458a_200011217002_200000718107 [0,2,0,0,0,0|1,0,1]=4 14559 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_100000015991_100015514636 [0,2,0,0,0,0|2,0,0]=4 14560 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_200000210373_100009816328 [0,2,0,0,0,0|2,0,0]=4 14561 B13R0.1 C=CCOCCC(C)CCCC(C)C 7a_100000015991_100015514636 [0,2,0,0,0,0|2,0,0]=4 14562 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100000210623_100009816328 [0,2,0,0,0,0|2,0,0]=4 14563 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100009816328_100000210623 [0,2,0,0,0,0|2,0,0]=4 14564 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|0,0,2]=4 14565 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|1,0,1]=4 14566 B13R0.1 CC(CCCC(=O)[O-])OCCCCO 7a_100000761597_100000210776 [0,2,0,0,0,0|2,0,0]=4 14567 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,2,0,0,0,0|2,0,0]=4 14568 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|2,0,0]=4 14569 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 14570 B13R0.188 C=C(C)CCOC[C@@H](N)CCCCN 34a_100016993712_100000730704 [0,2,0,0,0,0|2,0,0]=4 14571 B13R0.188 C=CCCCC(=O)CCCCB(O)O 1458a_100000766728_200009817182 [0,2,0,0,0,0|1,0,1]=4 14572 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100000766728_100011216152 [0,2,0,0,0,0|1,0,1]=4 14573 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000757094 [0,2,0,0,0,0|1,0,1]=4 14574 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|0,0,2]=4 14575 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|1,0,1]=4 14576 B13R0.194 C=CC(O)COC[C@@H](N)CCCCN 34a_100016993712_100000730141 [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.194 C=CCCCC(=O)NCCC(C)CO 240690a_106354213184_100000766728 [0,2,0,0,0,0|1,0,1]=4 14578 B13R0.194 C=CCCCC(=O)NCCC(C)CO 527a_106354213184_100000766728 [0,2,0,0,0,0|1,0,1]=4 14579 B13R0.195 C=CCCC(C)NC(C)CCCCC 270004a_100000211957_100000762624 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.195 C=CCCC(C)OC(C)CCCCC 34a_100000765329_200011218191 [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.195 C=CCCC(C)OC(C)CCCCC 7a_100000765329_200011218191 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.278 C#CC(CCCCC)OCCCC=C 34a_100011216489_100000757094 [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.278 C#CC(CCCCC)OCCCC=C 7a_100011216489_100000757094 [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.278 C#CC(CCCCCBr)OCCC=C 34a_200010408556_100000754431 [0,2,0,0,0,0|2,0,0]=4 14585 B13R0.278 C#CC(CCCCCBr)OCCC=C 7a_200010408556_100000754431 [0,2,0,0,0,0|2,0,0]=4 14586 B13R0.278 C=CCCCCN(CC)CCCCO 2230a_100011217355_100011215482 [0,2,0,0,0,0|1,0,0]=3 14587 B13R0.278 C=CCCCCN(CC)CCCCO 269982a_100011217355_100011215482 [0,2,0,0,0,0|1,0,0]=3 14588 B13R0.278 C=CCCCNC(CC)CCCCC 270004a_100000700776_100011215316 [0,2,0,0,0,0|2,0,0]=4 14589 B13R0.278 C=CCCCOC(C=C)CCCCC 34a_100011216863_100000757094 [0,2,0,0,0,0|2,0,0]=4 14590 B13R0.278 C=CCCCOC(C=C)CCCCC 7a_100011216863_100000757094 [0,2,0,0,0,0|2,0,0]=4 14591 B13R0.278 C=CCCCOC(CC)CCCCC 34a_100011215405_100000757094 [0,2,0,0,0,0|2,0,0]=4 14592 B13R0.278 C=CCCCOC(CC)CCCCC 7a_100011215405_100000757094 [0,2,0,0,0,0|2,0,0]=4 14593 B13R0.278 C=CCCNC(CC)CCCCCC 270004a_100015191253_100011219640 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.278 C=CCCOC(C=C)CCCCCC 34a_200011215977_100000754431 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.278 C=CCCOC(C=C)CCCCCC 7a_200011215977_100000754431 [0,2,0,0,0,0|2,0,0]=4 14596 B13R0.278 C=CCCOC(CC)CCCCCC 34a_100011215785_100000754431 [0,2,0,0,0,0|2,0,0]=4 14597 B13R0.278 C=CCCOC(CC)CCCCCC 7a_100011215785_100000754431 [0,2,0,0,0,0|2,0,0]=4 14598 B13R0.278 CCN(CCCCO)CCCCC=O 2230a_100011217355_100000139335 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.278 CCN(CCCCO)CCCCC=O 269982a_100011217355_100000139335 [0,2,0,0,0,0|2,0,0]=4 14600 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100000766728_200011218191 [0,2,0,0,0,0|1,0,1]=4 14601 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100011215998_100000757094 [0,2,0,0,0,0|1,0,1]=4 14602 B13R0.398 C=CCCCC(=O)N(C)CCCCO 240690a_100000717598_100000766728 [0,2,0,0,0,0|1,0,1]=4 14603 B13R0.1129 C=CCCOC(C)(C)CCCCCBr 7a_100010402123_100000754431 [0,2,0,0,0,0|2,0,0]=4 14604 B13R0.1129 C=CCCOC(C)(C)CCCCCC 7a_200011995690_100000754431 [0,2,0,0,0,0|2,0,0]=4 14605 B13R0.1170 C=CC(C)COC(C)CCCCCC 34a_100011215527_100011215978 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.1170 C=CC(C)COC(C)CCCCCC 7a_100011215527_100011215978 [0,2,0,0,0,0|2,0,0]=4 14607 B13R0.1170 C=CC(O)CNC(C)CCCCCC 2230a_100000210919_100000730141 [0,2,0,0,0,0|2,0,0]=4 14608 B13R0.1170 C=CC(O)CNC(C)CCCCCC 34a_100000210919_100000730141 [0,2,0,0,0,0|2,0,0]=4 14609 B13R0.1170 C=CC(O)COC(C)CCCCCC 34a_100000210265_100000730141 [0,2,0,0,0,0|2,0,0]=4 14610 B13R0.1170 C=CC(O)COC(C)CCCCCC 7a_100000210265_100000730141 [0,2,0,0,0,0|2,0,0]=4 14611 B13R0.1170 C=CC(O)CSC(C)CCCCCC 62a_100000730141_100011215978 [0,2,0,0,0,0|2,0,0]=4 14612 B13R0.1170 C=CC(O)CSC(C)CCCCCC 62a_100011215978_100000730141 [0,2,0,0,0,0|2,0,0]=4 14613 B13R0.1170 C=CCCCCC(=O)CCC(C)CC 1458a_100000701222_100011215482 [0,2,0,0,0,0|1,0,1]=4 14614 B13R0.1170 C=CCCCCC(=O)NCC(C)CO 240690a_100000744482_100011215552 [0,2,0,0,0,0|1,0,1]=4 14615 B13R0.1170 C=CCCCCC(=O)NCC(C)CO 527a_100000744482_100011215552 [0,2,0,0,0,0|1,0,1]=4 14616 B13R0.1170 C=CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011215552 [0,2,0,0,0,0|1,0,1]=4 14617 B13R0.1170 C=CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100011215552 [0,2,0,0,0,0|1,0,1]=4 14618 B13R0.1170 C=CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100011215552 [0,2,0,0,0,0|1,0,1]=4 14619 B13R0.1170 C=CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100011215552 [0,2,0,0,0,0|1,0,1]=4 14620 B13R0.1170 C=CCCCOC(C)CCC(C)CC 7a_200011216552_100000757094 [0,2,0,0,0,0|2,0,0]=4 14621 B13R0.1170 C=C[C@H](N)COC(C)CCCCCC 34a_100016989147_100011215978 [0,2,0,0,0,0|2,0,0]=4 14622 B13R0.1171 C=CCCC(=O)C(C)CCCCCC 1458a_100000749702_100011215978 [0,2,0,0,0,0|1,0,1]=4 14623 B13R0.1171 C=CCCC(=O)C(O)CCCCCC 1458a_100011215828_100000754431 [0,2,0,0,0,0|1,0,1]=4 14624 B13R0.1171 C=CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000749702 [0,2,0,0,0,0|1,0,1]=4 14625 B13R0.1171 C=CCCC(C)N(C)CCCCCC 270004a_106256046315_100000762624 [0,2,0,0,0,0|2,0,0]=4 14626 B13R0.1171 C=CCCC(C)N(C)CCCCCO 270004a_100000722520_100000762624 [0,2,0,0,0,0|1,0,0]=3 14627 B13R0.1171 C=CCCC(C)N(C)CCOCCO 270004a_100000228057_100000762624 [0,2,0,0,0,0|2,0,0]=4 14628 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215482 [0,2,0,0,0,0|1,0,1]=4 14629 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100011215552_200011215066 [0,2,0,0,0,0|1,0,1]=4 14630 B13R0.1171 C=CCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215482 [0,2,0,0,0,0|1,0,1]=4 14631 B13R0.1171 C=CCCCCC(=O)N(C)CCCO 240690a_100000213112_100011215552 [0,2,0,0,0,0|1,0,1]=4 14632 B13R0.1171 C=CCCCCC(=O)N(C)CCCO 527a_100000213112_100011215552 [0,2,0,0,0,0|1,0,1]=4 14633 B13R0.1171 C=CCCCCN(C)C(C)CCCC 2230a_100012000471_200011215066 [0,2,0,0,0,0|2,0,0]=4 14634 B13R0.1171 C=CCCCCN(C)C(C)CCCC 269982a_100012000471_200011215066 [0,2,0,0,0,0|2,0,0]=4 14635 B13R0.1171 C=CCCCCN(C)C(C)CCCC 270004a_100012000471_100000210087 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.1171 C=CCCN(C)C(=O)CCCCCO 240690a_100020639649_100102619762 [0,2,0,0,0,0|1,0,1]=4 14637 B13R0.1171 C=CCCN(C)C(C)CCCCCC 2230a_100020639649_100011215978 [0,2,0,0,0,0|2,0,0]=4 14638 B13R0.1171 C=CCCN(C)C(C)CCCCCC 269982a_100020639649_100011215978 [0,2,0,0,0,0|2,0,0]=4 14639 B13R0.1171 C=CCCN(C)C(C)CCCCCC 270004a_100020639649_100000210826 [0,2,0,0,0,0|2,0,0]=4 14640 B13R0.1171 C=CCSC(C)C(=O)CCCCCO 1458a_100000230602_100000746330 [0,2,0,0,0,0|1,0,1]=4 14641 B13R0.119 C=CCCC(=O)CCCCCB(O)O 1458a_100000749702_200009817188 [0,2,0,0,0,0|1,0,1]=4 14642 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000749702_100000210682 [0,2,0,0,0,0|1,0,1]=4 14643 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000754431 [0,2,0,0,0,0|1,0,1]=4 14644 B13R0.119 C=CCCC(C)OCCCCB(O)O 34a_100000765329_200009817182 [0,2,0,0,0,0|2,0,0]=4 14645 B13R0.119 C=CCCC(C)OCCCCB(O)O 7a_100000765329_200009817182 [0,2,0,0,0,0|2,0,0]=4 14646 B13R0.119 C=CCCC(C)OCCCCC(C)C 34a_100000765329_100011216152 [0,2,0,0,0,0|2,0,0]=4 14647 B13R0.119 C=CCCC(C)OCCCCC(C)C 7a_100000765329_100011216152 [0,2,0,0,0,0|2,0,0]=4 14648 B13R0.119 C=CCCN(C)CCCCCB(O)O 2230a_100020639649_200009817188 [0,2,0,0,0,0|2,0,0]=4 14649 B13R0.119 C=CCCN(C)CCCCCB(O)O 269982a_100020639649_200009817188 [0,2,0,0,0,0|2,0,0]=4 14650 B13R0.119 C=CCCN(C)CCCCCC(C)C 2230a_100020639649_100000210682 [0,2,0,0,0,0|2,0,0]=4 14651 B13R0.119 C=CCCN(C)CCCCCC(C)C 269982a_100020639649_100000210682 [0,2,0,0,0,0|2,0,0]=4 14652 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|1,0,1]=4 14653 B13R0.119 CN(CCCO)CCCCCC(=O)N 2230a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 14654 B13R0.119 CN(CCCO)CCCCCC(=O)N 269982a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 14655 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|1,0,1]=4 14657 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|1,0,1]=4 14658 B13R0.154 C=C(C)CCC(=O)CCCCCCF 1458a_200000688413_100015922095 [0,2,0,0,0,0|1,0,1]=4 14659 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|0,0,1]=3 14660 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|0,0,1]=3 14661 B13R0.154 C=C(C)CCC(=O)NCCCCCO 240690a_100000762737_200000688413 [0,2,0,0,0,0|1,0,1]=4 14662 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,2,0,0,0,0|2,0,0]=4 14663 B13R0.154 C=C(C)CCC(C)NCCCCCO 270004a_100000762737_100011215600 [0,2,0,0,0,0|1,0,0]=3 14664 B13R0.154 C=C(C)CCC(C)NCCOCCO 270004a_100000211614_100011215600 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.154 C=C(C)CCC(C)NCCSCCO 270004a_100011219999_100011215600 [0,2,0,0,0,0|2,0,0]=4 14666 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.154 C=C(C)CNC(=O)CCCCCCO 240690a_100000765925_100011996774 [0,2,0,0,0,0|1,0,1]=4 14669 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,2,0,0,0,0|2,0,0]=4 14673 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|2,0,0]=4 14677 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.154 C=CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000700193 [0,2,0,0,0,0|1,0,1]=4 14680 B13R0.154 C=CCCCCCC(=O)CCC(C)C 1458a_100011934241_100000210312 [0,2,0,0,0,0|1,0,1]=4 14681 B13R0.154 C=CCCCCCC(=O)CCC(C)O 1458a_100011934241_100012276601 [0,2,0,0,0,0|0,0,1]=3 14682 B13R0.154 C=CCCCCCC(=O)NCC(C)O 11a_100000210904_100011934241 [0,2,0,0,0,0|1,0,1]=4 14683 B13R0.154 C=CCCCCCC(=O)NCC(C)O 240690a_100000210904_100011934241 [0,2,0,0,0,0|1,0,1]=4 14684 B13R0.154 C=CCCCCCC(=O)NCC(C)O 527a_100000210904_100011934241 [0,2,0,0,0,0|1,0,1]=4 14685 B13R0.154 C=CCCCCCN(C)CCC(C)C 2230a_100000742789_100000700193 [0,2,0,0,0,0|2,0,0]=4 14686 B13R0.154 C=CCCCCCN(C)CCC(C)C 269982a_100000742789_100000700193 [0,2,0,0,0,0|2,0,0]=4 14687 B13R0.154 C=CCCCCNC(=O)CCC(C)O 1626a_100000703577_100000718519 [0,2,0,0,0,0|1,0,1]=4 14688 B13R0.154 C=CCCCCNC(C)CCC(C)C 2230a_100000703577_100011261404 [0,2,0,0,0,0|2,0,0]=4 14689 B13R0.154 C=CCCCCNC(C)CCC(C)C 2230a_100138410893_100011215482 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.154 C=CCCCCNC(C)CCC(C)C 270004a_100000703577_100000210476 [0,2,0,0,0,0|2,0,0]=4 14691 B13R0.154 C=CCCCCNC(C)CCC(C)C 34a_100000703577_100011261404 [0,2,0,0,0,0|2,0,0]=4 14692 B13R0.154 C=CCCCCOC(C)CCC(C)C 34a_100000766645_100011261404 [0,2,0,0,0,0|2,0,0]=4 14693 B13R0.154 C=CCCCCOC(C)CCC(C)C 34a_100011215350_100011215482 [0,2,0,0,0,0|2,0,0]=4 14694 B13R0.154 C=CCCCCOC(C)CCC(C)C 7a_100011215350_100011215482 [0,2,0,0,0,0|2,0,0]=4 14695 B13R0.154 C=CCCCCSC(C)CCC(C)C 62a_100011215482_100011261404 [0,2,0,0,0,0|2,0,0]=4 14696 B13R0.154 C=CCCCCSC(C)CCC(C)C 62a_100011261404_100011215482 [0,2,0,0,0,0|2,0,0]=4 14697 B13R0.154 CN(CCCCCCO)CCC(=O)N 2230a_100000730477_100000766143 [0,2,0,0,0,0|2,0,0]=4 14698 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|1,0,1]=4 14699 B13R0.176 C=CCCC(=O)CCC(C)CCCC 1458a_100000033779_100000754431 [0,2,0,0,0,0|1,0,1]=4 14700 B13R0.176 C=CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000749702 [0,2,0,0,0,0|1,0,1]=4 14701 B13R0.176 C=CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000749702 [0,2,0,0,0,0|1,0,1]=4 14702 B13R0.176 C=CCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000762624 [0,2,0,0,0,0|1,0,0]=3 14703 B13R0.272 C#CC(CCCC)OCCCCC=C 34a_200011217967_100011215482 [0,2,0,0,0,0|2,0,0]=4 14704 B13R0.272 C#CC(CCCC)OCCCCC=C 7a_200011217967_100011215482 [0,2,0,0,0,0|2,0,0]=4 14705 B13R0.272 C=CCCCCCN(CC)CCCC 2230a_100000207695_100000700193 [0,2,0,0,0,0|2,0,0]=4 14706 B13R0.272 C=CCCCCCN(CC)CCCC 269982a_100000207695_100000700193 [0,2,0,0,0,0|2,0,0]=4 14707 B13R0.272 C=CCCCCNC(CC)CCCC 270004a_100000703577_100000753412 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.272 C=CCCCCNC(CC)CCCC 34a_100000703577_200011216223 [0,2,0,0,0,0|2,0,0]=4 14709 B13R0.272 C=CCCCCN[C@H](CO)CCCC 2230a_100011934283_100011215482 [0,2,0,0,0,0|2,0,0]=4 14710 B13R0.272 C=CCCCCN[C@H](CO)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|2,0,0]=4 14711 B13R0.272 C=CCCCCOC(C=C)CCCC 34a_200011215037_100011215482 [0,2,0,0,0,0|2,0,0]=4 14712 B13R0.272 C=CCCCCOC(C=C)CCCC 7a_200011215037_100011215482 [0,2,0,0,0,0|2,0,0]=4 14713 B13R0.272 C=CCCCCOC(CC)CCCC 34a_100000766645_200011216223 [0,2,0,0,0,0|2,0,0]=4 14714 B13R0.272 C=CCCCCOC(CC)CCCC 34a_100011215227_100011215482 [0,2,0,0,0,0|2,0,0]=4 14715 B13R0.272 C=CCCCCOC(CC)CCCC 7a_100000766645_200011216223 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.272 C=CCCCCOC(CC)CCCC 7a_100011215227_100011215482 [0,2,0,0,0,0|2,0,0]=4 14717 B13R0.272 C=CCCCCSC(CC)CCCC 62a_100011215482_200011216223 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.272 C=CCCCCSC(CC)CCCC 62a_200011216223_100011215482 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000209976_100011713584 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000700776_100000211942 [0,2,0,0,0,0|2,0,0]=4 14721 B13R0.272 C=CCCCNCC(CC)CCCC 269862a_100000700776_100011219736 [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.272 C=CCCCNCC(CC)CCCC 270004a_100000700776_100011219736 [0,2,0,0,0,0|2,0,0]=4 14723 B13R0.272 C=CCCCNCC(CC)CCCC 34a_100000700776_100000211942 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000210273_100000757094 [0,2,0,0,0,0|2,0,0]=4 14725 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000758997_100000211942 [0,2,0,0,0,0|2,0,0]=4 14726 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000210273_100000757094 [0,2,0,0,0,0|2,0,0]=4 14727 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000758997_100000211942 [0,2,0,0,0,0|2,0,0]=4 14728 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100000211942_100000757094 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100011713584_100000211942 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.272 C=CCCN(CC)CCCCCCC 2230a_100000228213_100000754431 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.272 C=CCCN(CC)CCCCCCC 269982a_100000228213_100000754431 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.272 C=CCNC(CC)CCCCCCC 270004a_100020586998_200011217162 [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.272 C=CCOC(C=C)CCCCCCC 34a_200011934235_100015514636 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.272 C=CCOC(C=C)CCCCCCC 7a_200011934235_100015514636 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.272 C=CCOC(CC)CCCCCCC 34a_200011217053_100015514636 [0,2,0,0,0,0|2,0,0]=4 14736 B13R0.272 C=CCOC(CC)CCCCCCC 7a_200011217053_100015514636 [0,2,0,0,0,0|2,0,0]=4 14737 B13R0.274 C=CC(C)CC(=O)CCCCCCC 1458a_100011934298_100000210614 [0,2,0,0,0,0|1,0,1]=4 14738 B13R0.274 C=CC(C)CC(=O)CCCCCCF 1458a_100011934298_100015922095 [0,2,0,0,0,0|1,0,1]=4 14739 B13R0.274 C=CC(C)CC(=O)CCCCCCO 1458a_100011934298_100000766143 [0,2,0,0,0,0|0,0,1]=3 14740 B13R0.274 C=CC(C)CC(=O)NCCCCCO 240690a_100000762737_100011934298 [0,2,0,0,0,0|1,0,1]=4 14741 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,2,0,0,0,0|2,0,0]=4 14742 B13R0.274 C=CC(C)SC(C)CCCCCCC 62a_100011215867_200011218727 [0,2,0,0,0,0|2,0,0]=4 14743 B13R0.274 C=CC(O)CN(C)CCCCCCC 2230a_100000228206_100000730141 [0,2,0,0,0,0|2,0,0]=4 14744 B13R0.274 C=CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000700193 [0,2,0,0,0,0|1,0,1]=4 14745 B13R0.274 C=CCCCCCC(=O)CC(C)CC 1458a_100011934241_100000748023 [0,2,0,0,0,0|1,0,1]=4 14746 B13R0.274 C=CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000700193 [0,2,0,0,0,0|1,0,1]=4 14747 B13R0.274 C=CCCCCCC(=O)CC(O)CC 1458a_100011934241_100011218378 [0,2,0,0,0,0|1,0,1]=4 14748 B13R0.274 C=CCCCCCC(=O)C[C@@H](C)CC 1458a_100011934241_100009816398 [0,2,0,0,0,0|1,0,1]=4 14749 B13R0.274 C=CCCCCCC(=O)C[C@@H](C)CO 1458a_100011934241_100000059175 [0,2,0,0,0,0|0,0,1]=3 14750 B13R0.274 C=CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100011934241 [0,2,0,0,0,0|1,0,1]=4 14751 B13R0.274 C=CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100011934241 [0,2,0,0,0,0|1,0,1]=4 14752 B13R0.274 C=CCCCCCN(C)CC(C)CC 2230a_100000753921_100000700193 [0,2,0,0,0,0|2,0,0]=4 14753 B13R0.274 C=CCCCCCN(C)CC(C)CC 269982a_100000753921_100000700193 [0,2,0,0,0,0|2,0,0]=4 14754 B13R0.274 C=CCCCCCN(C)CC(O)CO 2230a_100011216503_100000700193 [0,2,0,0,0,0|1,0,0]=3 14755 B13R0.274 C=CCCCCCN(C)CC(O)CO 269982a_100011216503_100000700193 [0,2,0,0,0,0|1,0,0]=3 14756 B13R0.274 C=CCCCCNC(C)CC(C)CC 2230a_100000763565_100011215482 [0,2,0,0,0,0|2,0,0]=4 14757 B13R0.274 C=CCCCCNC(C)CC(C)CC 270004a_100000703577_100011710205 [0,2,0,0,0,0|2,0,0]=4 14758 B13R0.274 CN(CCCCCC=O)CC(O)CO 2230a_100011216503_100000139337 [0,2,0,0,0,0|2,0,0]=4 14759 B13R0.274 CN(CCCCCC=O)CC(O)CO 269982a_100011216503_100000139337 [0,2,0,0,0,0|2,0,0]=4 14760 B13R0.689 C=CCCCCOC(C)(C)CCCBr 7a_100009888830_100011215482 [0,2,0,0,0,0|2,0,0]=4 14761 B13R0.689 C=CCCCCOC(C)(C)CCCC 7a_100011219641_100011215482 [0,2,0,0,0,0|2,0,0]=4 14762 B13R0.689 C=CCCCOCC(C)(C)CCCC 7a_200011995781_100000757094 [0,2,0,0,0,0|2,0,0]=4 14763 B13R0.689 C=CCOC(C)(C)CCCCCCC 34a_200000210373_200000046972 [0,2,0,0,0,0|2,0,0]=4 14764 B13R0.689 C=CCSC(C)(C)CCCCCCC 62a_100000210623_200000046972 [0,2,0,0,0,0|2,0,0]=4 14765 B13R0.689 C=CCSC(C)(C)CCCCCCC 62a_200000046972_100000210623 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|1,0,1]=4 14767 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|0,0,1]=3 14768 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.150 C=C(C)C(C)NCCCCCCCO 269862a_100011996573_100011216138 [0,2,0,0,0,0|1,0,0]=3 14770 B13R0.150 C=C(C)C(C)NCCCOCCCO 269862a_100011310245_100011216138 [0,2,0,0,0,0|2,0,0]=4 14771 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [0,2,0,0,0,0|1,0,1]=4 14772 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [0,2,0,0,0,0|1,0,1]=4 14773 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [0,2,0,0,0,0|1,0,1]=4 14774 B13R0.150 C=CCCCCCCCC(=O)C(O)O 1458a_100000233687_100012355270 [0,2,0,0,0,0|0,0,1]=3 14775 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|0,0,1]=3 14776 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|0,0,1]=3 14777 B13R0.150 C=CCCCCCCCN(C)C(C)C 269982a_200000211004_100012355270 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.150 C=CCCCCCCNC(C)C(C)C 2230a_100000211541_100011215473 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,2,0,0,0,0|1,0,1]=4 14780 B13R0.150 C=CCCCCCCOC(C)C(C)C 7a_100000748068_100011215473 [0,2,0,0,0,0|2,0,0]=4 14781 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,2,0,0,0,0|1,0,1]=4 14782 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,2,0,0,0,0|1,0,1]=4 14783 B13R0.150 C=CCCCCCNCC(O)C(C)C 2230a_100000759067_100000700193 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.150 C=CCCCCCNCC(O)C(C)C 34a_100000759067_100000700193 [0,2,0,0,0,0|2,0,0]=4 14785 B13R0.150 C=CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000700193 [0,2,0,0,0,0|2,0,0]=4 14786 B13R0.150 C=CCCCCOCCC(N)C(C)C 34a_100161115045_100011215482 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|1,0,1]=4 14788 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|1,0,1]=4 14789 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|1,0,1]=4 14790 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|1,0,1]=4 14791 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|1,0,1]=4 14792 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|1,0,1]=4 14793 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|2,0,0]=4 14794 B13R0.150 CC(NCCCCCCCO)C(=O)N 2230a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 14795 B13R0.150 CC(NCCCCCCCO)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000702099_100000760002 [0,2,0,0,0,0|2,0,0]=4 14797 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 14798 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 2230a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 14799 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 34a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 14801 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 14802 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|2,0,0]=4 14803 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,2,0,0,0,0|2,0,0]=4 14804 B13R0.150 NC(=O)C(F)NCCCCCCCO 2230a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.150 NC(=O)C(F)NCCCCCCCO 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 14806 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 14807 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100009813875_100000760002 [0,2,0,0,0,0|2,0,0]=4 14808 B13R0.150 NC(=O)[C@@H](N)COCCCCCCO 34a_100000729942_100000766143 [0,2,0,0,0,0|2,0,0]=4 14809 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|2,0,0]=4 14810 B13R0.150 O=C([O-])C(F)NCCCCCCCO 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 14811 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 14812 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100020610796_100000760002 [0,2,0,0,0,0|2,0,0]=4 14813 B13R0.179 C=C(Br)CCOCCCCCB(O)O 34a_100009813270_200009817188 [0,2,0,0,0,0|2,0,0]=4 14814 B13R0.179 C=C(Br)CCOCCCCCC(C)C 34a_100009813270_100000210682 [0,2,0,0,0,0|2,0,0]=4 14815 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 14817 B13R0.179 C=C(C)CCOCCCCCB(O)O 34a_100000764851_200009817188 [0,2,0,0,0,0|2,0,0]=4 14818 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,2,0,0,0,0|2,0,0]=4 14819 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 14820 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 14821 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_100000730704_200009817188 [0,2,0,0,0,0|2,0,0]=4 14822 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_200009817188_100000730704 [0,2,0,0,0,0|2,0,0]=4 14823 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,2,0,0,0,0|2,0,0]=4 14824 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,2,0,0,0,0|2,0,0]=4 14825 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 14826 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.179 C=C(C)COCCCCCCB(O)O 34a_100000210245_100009817187 [0,2,0,0,0,0|2,0,0]=4 14828 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100000748629_100009817187 [0,2,0,0,0,0|2,0,0]=4 14829 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100009817187_100000211660 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.179 C=C(F)CNCCCCCCC(C)C 2230a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.179 C=C(F)CNCCCCCCC(C)C 34a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.179 C=C(F)COCCCCCCB(O)O 34a_200010262243_100009817187 [0,2,0,0,0,0|2,0,0]=4 14833 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100000042424_100009817187 [0,2,0,0,0,0|2,0,0]=4 14834 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100009817187_100000042424 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|1,0,1]=4 14836 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|1,0,1]=4 14837 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,2,0,0,0,0|2,0,0]=4 14838 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,2,0,0,0,0|2,0,0]=4 14839 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,2,0,0,0,0|2,0,0]=4 14842 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,2,0,0,0,0|2,0,0]=4 14843 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,2,0,0,0,0|2,0,0]=4 14844 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,2,0,0,0,0|2,0,0]=4 14845 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,2,0,0,0,0|2,0,0]=4 14846 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,2,0,0,0,0|2,0,0]=4 14847 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,2,0,0,0,0|2,0,0]=4 14848 B13R0.202 C=CC(C)COCCCCCB(O)O 34a_100011215527_200009817188 [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.202 C=CC(C)COCCCCCB(O)O 7a_100011215527_200009817188 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.202 C=CC(C)COCCCCCC(C)C 34a_100011215527_100000210682 [0,2,0,0,0,0|2,0,0]=4 14851 B13R0.202 C=CC(C)COCCCCCC(C)C 7a_100011215527_100000210682 [0,2,0,0,0,0|2,0,0]=4 14852 B13R0.202 C=CC(C)OCCCCCCB(O)O 34a_100000695699_100009817187 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.202 C=CC(C)SCCCCCCB(O)O 62a_100011215867_100009817187 [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.202 C=CC(O)CNCCCCCC(C)C 2230a_100011290863_100000730141 [0,2,0,0,0,0|2,0,0]=4 14855 B13R0.202 C=CC(O)CNCCCCCC(C)C 34a_100011290863_100000730141 [0,2,0,0,0,0|2,0,0]=4 14856 B13R0.202 C=CC(O)COCCCCCC(C)C 34a_100011995859_100000730141 [0,2,0,0,0,0|2,0,0]=4 14857 B13R0.202 C=CC(O)COCCCCCC(C)C 7a_100011995859_100000730141 [0,2,0,0,0,0|2,0,0]=4 14858 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_100000730141_200009817188 [0,2,0,0,0,0|2,0,0]=4 14859 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_200009817188_100000730141 [0,2,0,0,0,0|2,0,0]=4 14860 B13R0.202 C=CC(O)CSCCCCCC(C)C 62a_100000210682_100000730141 [0,2,0,0,0,0|2,0,0]=4 14861 B13R0.202 C=CC(O)CSCCCCCC(C)C 62a_100000730141_100000210682 [0,2,0,0,0,0|2,0,0]=4 14862 B13R0.202 C=C[C@H](N)COCCCCCB(O)O 34a_100016989147_200009817188 [0,2,0,0,0,0|2,0,0]=4 14863 B13R0.202 C=C[C@H](N)COCCCCCC(C)C 34a_100016989147_100000210682 [0,2,0,0,0,0|2,0,0]=4 14864 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|1,0,1]=4 14865 B13R0.202 CC(CO)CNCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 14866 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 34a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 14867 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 7a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 14868 B13R0.202 C[C@@H](CO)COCCCCCC(=O)[O-] 7a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 14869 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100000059175_100009817443 [0,2,0,0,0,0|2,0,0]=4 14870 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100009817443_100000059175 [0,2,0,0,0,0|2,0,0]=4 14871 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 14872 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009817443 [0,2,0,0,0,0|2,0,0]=4 14873 B13R0.202 NC(=O)CCCCCOCC(O)CO 34a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.202 NC(=O)CCCCCOCC(O)CO 7a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 14875 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 34a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 14876 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 7a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100009817443_100011219619 [0,2,0,0,0,0|2,0,0]=4 14878 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100011219619_100009817443 [0,2,0,0,0,0|2,0,0]=4 14879 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009817443 [0,2,0,0,0,0|2,0,0]=4 14880 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009817443_100009815848 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.202 O=C([O-])CCCCCOCC(O)CO 7a_100102619762_100011219619 [0,2,0,0,0,0|2,0,0]=4 14882 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CO 7a_100102619762_100009815848 [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.280 C=CCCCCCCCNC(C)(C)C 2230a_100000715429_100012355270 [0,2,0,0,0,0|2,0,0]=4 14884 B13R0.280 C=CCCCCCCCOC(C)(C)C 34a_100000730831_100000210625 [0,2,0,0,0,0|2,0,0]=4 14885 B13R0.280 C=CCCCCCCCOC(C)(C)C 34a_100015890283_100012355270 [0,2,0,0,0,0|2,0,0]=4 14886 B13R0.280 C=CCCCCCCCOC(C)(C)C 7a_100015890283_100012355270 [0,2,0,0,0,0|2,0,0]=4 14887 B13R0.280 C=CCCCCCCCOC(F)(F)F 34a_100000730831_200103152311 [0,2,0,0,0,0|2,0,0]=4 14888 B13R0.280 C=CCCCCCCCOC(F)(F)F 7a_100000730831_200000243211 [0,2,0,0,0,0|2,0,0]=4 14889 B13R0.280 C=CCCCCCCCSC(C)(C)C 62a_100000211941_100012355270 [0,2,0,0,0,0|2,0,0]=4 14890 B13R0.280 C=CCCCCCCCSC(C)(C)C 62a_100012355270_100000211941 [0,2,0,0,0,0|2,0,0]=4 14891 B13R0.280 C=CCCCCCCCSC(F)(F)F 62a_100012355270_200103152311 [0,2,0,0,0,0|2,0,0]=4 14892 B13R0.280 C=CCCCCCCCSC(F)(F)F 62a_200000243211_100012355270 [0,2,0,0,0,0|2,0,0]=4 14893 B13R0.280 C=CCCCCCCNCC(C)(C)C 2230a_100000743828_100011215473 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.280 C=CCCCCCCNCC(C)(C)F 2230a_100020643315_100011215473 [0,2,0,0,0,0|2,0,0]=4 14895 B13R0.280 C=CCCCCCCNCC(C)(C)O 2230a_100000751335_100011215473 [0,2,0,0,0,0|1,0,0]=3 14896 B13R0.280 C=CCCCCCCNCC(F)(F)F 34a_100000717047_100011215473 [0,2,0,0,0,0|2,0,0]=4 14897 B13R0.280 C=CCCCCCCOCC(C)(C)C 34a_200011216477_100011219605 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.280 C=CCCCCCCOCC(C)(C)F 34a_100000716592_100011215473 [0,2,0,0,0,0|2,0,0]=4 14899 B13R0.280 C=CCCCCCCOCC(C)(C)F 34a_200011216477_100011997219 [0,2,0,0,0,0|2,0,0]=4 14900 B13R0.280 C=CCCCCCCOCC(C)(C)O 34a_200011216477_100000764493 [0,2,0,0,0,0|1,0,0]=3 14901 B13R0.280 C=CCCCCCCOCC(C)(C)O 7a_200011216477_100000764493 [0,2,0,0,0,0|1,0,0]=3 14902 B13R0.280 C=CCCCCCCOCC(C)(F)F 34a_100000068830_100011215473 [0,2,0,0,0,0|2,0,0]=4 14903 B13R0.280 C=CCCCCCCOCC(F)(F)Br 34a_100011217949_100011215473 [0,2,0,0,0,0|2,0,0]=4 14904 B13R0.280 C=CCCCCCCOCC(F)(F)Cl 34a_100000734434_100011215473 [0,2,0,0,0,0|2,0,0]=4 14905 B13R0.280 C=CCCCCCCOCC(F)(F)F 34a_100000210435_100011215473 [0,2,0,0,0,0|2,0,0]=4 14906 B13R0.280 C=CCCCCCCSCC(C)(C)C 62a_100011215473_100011219605 [0,2,0,0,0,0|2,0,0]=4 14907 B13R0.280 C=CCCCCCCSCC(C)(C)C 62a_100011219605_100011215473 [0,2,0,0,0,0|2,0,0]=4 14908 B13R0.280 C=CCCCCCCSCC(C)(C)F 62a_100011215473_100011997219 [0,2,0,0,0,0|2,0,0]=4 14909 B13R0.280 C=CCCCCCCSCC(C)(C)F 62a_100011997219_100011215473 [0,2,0,0,0,0|2,0,0]=4 14910 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100000764493_100011215473 [0,2,0,0,0,0|1,0,0]=3 14911 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100011215473_100000764493 [0,2,0,0,0,0|1,0,0]=3 14912 B13R0.280 C=CCCCCCCSCC(F)(F)F 62a_100000763148_100011215473 [0,2,0,0,0,0|2,0,0]=4 14913 B13R0.280 C=CCCCCCCSCC(F)(F)F 62a_100011215473_100000763148 [0,2,0,0,0,0|2,0,0]=4 14914 B13R0.280 C=CCCCCCNCCC(C)(C)C 2230a_100000738805_100000700193 [0,2,0,0,0,0|2,0,0]=4 14915 B13R0.280 C=CCCCCCNCCC(C)(C)F 2230a_100016253952_100000700193 [0,2,0,0,0,0|2,0,0]=4 14916 B13R0.280 C=CCCCCCNCCC(F)(F)F 2230a_100000740434_100000700193 [0,2,0,0,0,0|2,0,0]=4 14917 B13R0.280 C=CCCCCCNCCC(F)(F)F 34a_100000740434_100000700193 [0,2,0,0,0,0|2,0,0]=4 14918 B13R0.280 C=CCCCCCOCCC(C)(C)C 34a_100011216702_100000755188 [0,2,0,0,0,0|2,0,0]=4 14919 B13R0.280 C=CCCCCCOCCC(C)(C)C 7a_100000765024_100000700193 [0,2,0,0,0,0|2,0,0]=4 14920 B13R0.280 C=CCCCCCOCCC(C)(C)C 7a_100011216702_100000755188 [0,2,0,0,0,0|2,0,0]=4 14921 B13R0.280 C=CCCCCCOCCC(C)(C)O 34a_100011216702_100000702414 [0,2,0,0,0,0|1,0,0]=3 14922 B13R0.280 C=CCCCCCOCCC(C)(C)O 7a_100011216702_100000702414 [0,2,0,0,0,0|1,0,0]=3 14923 B13R0.280 C=CCCCCCOCCC(F)(F)F 34a_100000752437_100000700193 [0,2,0,0,0,0|2,0,0]=4 14924 B13R0.280 C=CCCCCCOCCC(F)(F)F 34a_100011216702_100011219754 [0,2,0,0,0,0|2,0,0]=4 14925 B13R0.280 C=CCCCCCOCCC(F)(F)F 7a_100011216702_100011219754 [0,2,0,0,0,0|2,0,0]=4 14926 B13R0.280 C=CCCCCCSCCC(C)(C)C 62a_100000700193_100000755188 [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.280 C=CCCCCCSCCC(C)(C)C 62a_100000755188_100000700193 [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000700193_100000702414 [0,2,0,0,0,0|1,0,0]=3 14929 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000702414_100000700193 [0,2,0,0,0,0|1,0,0]=3 14930 B13R0.280 C=CCCCCCSCCC(F)(F)F 62a_100000700193_100011219754 [0,2,0,0,0,0|2,0,0]=4 14931 B13R0.280 C=CCCCCCSCCC(F)(F)F 62a_100011219754_100000700193 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.280 C=CCCCCNCCCC(C)(C)O 2230a_100000703577_100009888830 [0,2,0,0,0,0|1,0,0]=3 14933 B13R0.280 C=CCCCCNCCCC(C)(C)O 34a_100000703577_100009888830 [0,2,0,0,0,0|1,0,0]=3 14934 B13R0.280 C=CCCCCNCCCC(F)(F)F 2230a_100000703577_100011215983 [0,2,0,0,0,0|2,0,0]=4 14935 B13R0.280 C=CCCCCNCCCC(F)(F)F 2230a_100000727188_100011215482 [0,2,0,0,0,0|2,0,0]=4 14936 B13R0.280 C=CCCCCNCCCC(F)(F)F 34a_100000703577_100011215983 [0,2,0,0,0,0|2,0,0]=4 14937 B13R0.280 C=CCCCCNCCCC(F)(F)F 34a_100000727188_100011215482 [0,2,0,0,0,0|2,0,0]=4 14938 B13R0.280 C=CCCCCOCCCC(C)(C)O 34a_100000766645_100009888830 [0,2,0,0,0,0|1,0,0]=3 14939 B13R0.280 C=CCCCCOCCCC(C)(C)O 7a_100000766645_100009888830 [0,2,0,0,0,0|1,0,0]=3 14940 B13R0.280 C=CCCCCOCCCC(F)(F)F 34a_100000749235_100011215482 [0,2,0,0,0,0|2,0,0]=4 14941 B13R0.280 C=CCCCCOCCCC(F)(F)F 34a_100000766645_100011215983 [0,2,0,0,0,0|2,0,0]=4 14942 B13R0.280 C=CCCCCOCCCC(F)(F)F 7a_100000766645_100011216173 [0,2,0,0,0,0|2,0,0]=4 14943 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100009888830_100011215482 [0,2,0,0,0,0|1,0,0]=3 14944 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100011215482_100009888830 [0,2,0,0,0,0|1,0,0]=3 14945 B13R0.280 C=CCCCCSCCCC(F)(F)F 62a_100011215482_100011216173 [0,2,0,0,0,0|2,0,0]=4 14946 B13R0.280 C=CCCCCSCCCC(F)(F)F 62a_100011216173_100011215482 [0,2,0,0,0,0|2,0,0]=4 14947 B13R0.280 C=CCCCNCCCCC(F)(F)F 2230a_100000700776_100000692467 [0,2,0,0,0,0|2,0,0]=4 14948 B13R0.280 C=CCCCNCCCCC(F)(F)F 34a_100000700776_100000692467 [0,2,0,0,0,0|2,0,0]=4 14949 B13R0.280 C=CCCCOCCCCC(F)(F)F 34a_100000749236_100000757094 [0,2,0,0,0,0|2,0,0]=4 14950 B13R0.280 C=CCCCOCCCCC(F)(F)F 34a_100000758997_100000692467 [0,2,0,0,0,0|2,0,0]=4 14951 B13R0.280 C=CCCCOCCCCC(F)(F)F 7a_100000749236_100000757094 [0,2,0,0,0,0|2,0,0]=4 14952 B13R0.280 C=CCCCOCCCCC(F)(F)F 7a_100000758997_100000692467 [0,2,0,0,0,0|2,0,0]=4 14953 B13R0.280 C=CCCCSCCCCC(F)(F)F 62a_100000692467_100000757094 [0,2,0,0,0,0|2,0,0]=4 14954 B13R0.280 C=CCCCSCCCCC(F)(F)F 62a_100011713584_100000692467 [0,2,0,0,0,0|2,0,0]=4 14955 B13R0.280 C=CCCNCCCCCC(C)(C)O 2230a_100015191253_100010402123 [0,2,0,0,0,0|1,0,0]=3 14956 B13R0.280 C=CCCNCCCCCC(F)(F)F 2230a_100015191253_100010187589 [0,2,0,0,0,0|2,0,0]=4 14957 B13R0.280 C=CCCOCCCCCC(C)(C)O 34a_100011205117_100010402123 [0,2,0,0,0,0|1,0,0]=3 14958 B13R0.280 C=CCCOCCCCCC(F)(F)F 34a_100011205117_100010187589 [0,2,0,0,0,0|2,0,0]=4 14959 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100000754431_100010402123 [0,2,0,0,0,0|1,0,0]=3 14960 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100010402123_100000754431 [0,2,0,0,0,0|1,0,0]=3 14961 B13R0.280 C=CCCSCCCCCC(F)(F)F 62a_100000754431_100010187589 [0,2,0,0,0,0|2,0,0]=4 14962 B13R0.280 C=CCCSCCCCCC(F)(F)F 62a_100010187589_100000754431 [0,2,0,0,0,0|2,0,0]=4 14963 B13R0.280 C=CCOCCOCCCC(C)(C)O 34a_100000037705_100009888830 [0,2,0,0,0,0|2,0,0]=4 14964 B13R0.280 C=CCOCCOCCCC(C)(C)O 7a_100000037705_100009888830 [0,2,0,0,0,0|2,0,0]=4 14965 B13R0.280 C=COCCCCOCCC(C)(C)O 34a_100000031558_100000702414 [0,2,0,0,0,0|2,0,0]=4 14966 B13R0.280 C=COCCCCOCCC(C)(C)O 7a_100000031558_100000702414 [0,2,0,0,0,0|2,0,0]=4 14967 B13R0.280 C=COCCCNCCCC(C)(C)O 2230a_100000210767_100009888830 [0,2,0,0,0,0|2,0,0]=4 14968 B13R0.280 C=COCCCNCCCC(C)(C)O 34a_100000210767_100009888830 [0,2,0,0,0,0|2,0,0]=4 14969 B13R0.280 CC(C)(O)CCCSCCCCC=O 62a_100000139335_100009888830 [0,2,0,0,0,0|2,0,0]=4 14970 B13R0.280 CC(C)(O)CCCSCCCCC=O 62a_100009888830_100000139335 [0,2,0,0,0,0|2,0,0]=4 14971 B13R0.280 CC(C)(O)CCSCCCCCC=O 62a_100000139337_100000702414 [0,2,0,0,0,0|2,0,0]=4 14972 B13R0.280 CC(C)(O)CCSCCCCCC=O 62a_100000702414_100000139337 [0,2,0,0,0,0|2,0,0]=4 14973 B13R0.412 C#CC(CC)OCCCCCCC=C 34a_100000758843_100011215473 [0,2,0,0,0,0|2,0,0]=4 14974 B13R0.412 C#CC(CC)OCCCCCCC=C 7a_100000758843_100011215473 [0,2,0,0,0,0|2,0,0]=4 14975 B13R0.412 C=CC(C=C)OCCCCCCCC 34a_100000033096_100000210759 [0,2,0,0,0,0|2,0,0]=4 14976 B13R0.412 C=CC(C=C)OCCCCCCCO 34a_100000033096_100000760002 [0,2,0,0,0,0|1,0,0]=3 14977 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 14978 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 14979 B13R0.412 C=CC(CC)OCCCCCCCO 34a_100000766422_100000760002 [0,2,0,0,0,0|1,0,0]=3 14980 B13R0.412 C=CC(CC)OCCCCCCCO 7a_100000766422_100000760002 [0,2,0,0,0,0|1,0,0]=3 14981 B13R0.412 C=CCCCCCCCN(CC)CC 2230a_100000724800_100012355270 [0,2,0,0,0,0|2,0,0]=4 14982 B13R0.412 C=CCCCCCCCN(CC)CC 269956a_100000042499_100012355270 [0,2,0,0,0,0|2,0,0]=4 14983 B13R0.412 C=CCCCCCCCN(CC)CC 269982a_100000724800_100012355270 [0,2,0,0,0,0|2,0,0]=4 14984 B13R0.412 C=CCCCCCCNC(CC)CC 2230a_100000199018_100011215473 [0,2,0,0,0,0|2,0,0]=4 14985 B13R0.412 C=CCCCCCCNC(CO)CO 2230a_100000759517_100011215473 [0,2,0,0,0,0|1,0,0]=3 14986 B13R0.412 C=CCCCCCCN[C@@H](C=C)CO 2230a_100016989147_100011215473 [0,2,0,0,0,0|1,0,0]=3 14987 B13R0.412 C=CCCCCCCN[C@@H](C=C)CO 34a_100016989147_100011215473 [0,2,0,0,0,0|1,0,0]=3 14988 B13R0.412 C=CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100011215473 [0,2,0,0,0,0|1,0,0]=3 14989 B13R0.412 C=CCCCCCCOC(C=C)CC 34a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 14990 B13R0.412 C=CCCCCCCOC(C=C)CC 7a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 14991 B13R0.412 C=CCCCCCCOC(CC)CC 7a_100000688536_100011215473 [0,2,0,0,0,0|2,0,0]=4 14992 B13R0.412 C=CCCCCCCOC(CC)CC 7a_200011216477_100000210505 [0,2,0,0,0,0|2,0,0]=4 14993 B13R0.412 C=CCCCCCCOC(CCl)CCl 7a_100000737055_100011215473 [0,2,0,0,0,0|2,0,0]=4 14994 B13R0.412 C=CCCCCCCOC(CF)CF 34a_100000032261_100011215473 [0,2,0,0,0,0|2,0,0]=4 14995 B13R0.412 C=CCCCCCCOC(CF)CF 7a_100000032261_100011215473 [0,2,0,0,0,0|2,0,0]=4 14996 B13R0.412 C=CCCCCCCOC(CN)CN 34a_100000031598_100011215473 [0,2,0,0,0,0|2,0,0]=4 14997 B13R0.412 C=CCCCCCCO[C@@H](CF)CCl 34a_100015614560_100011215473 [0,2,0,0,0,0|2,0,0]=4 14998 B13R0.412 C=CCCCCCCO[C@@H](CF)CCl 7a_100015614560_100011215473 [0,2,0,0,0,0|2,0,0]=4 14999 B13R0.412 C=CCCCCCCSC(CC)CC 62a_100000210505_100011215473 [0,2,0,0,0,0|2,0,0]=4 15000 B13R0.412 C=CCCCCCCSC(CC)CC 62a_100011215473_100000210505 [0,2,0,0,0,0|2,0,0]=4 15001 B13R0.412 C=CCCCCCNCC(CC)CC 2230a_100102946423_100000700193 [0,2,0,0,0,0|2,0,0]=4 15002 B13R0.412 C=CCCCCCOCC(CC)CC 34a_100011216702_100011215472 [0,2,0,0,0,0|2,0,0]=4 15003 B13R0.412 C=CCCCCCOCC(CC)CC 7a_100000703878_100000700193 [0,2,0,0,0,0|2,0,0]=4 15004 B13R0.412 C=CCCCCCOCC(CC)CC 7a_100011216702_100011215472 [0,2,0,0,0,0|2,0,0]=4 15005 B13R0.412 C=CCCCCCOCC(CC)OC 34a_100011934954_100000700193 [0,2,0,0,0,0|2,0,0]=4 15006 B13R0.412 C=CCCCCCOCC(CC)OC 7a_100011934954_100000700193 [0,2,0,0,0,0|2,0,0]=4 15007 B13R0.412 C=CCCCCCSCC(CC)CC 62a_100000700193_100011215472 [0,2,0,0,0,0|2,0,0]=4 15008 B13R0.412 C=CCCCCCSCC(CC)CC 62a_100011215472_100000700193 [0,2,0,0,0,0|2,0,0]=4 15009 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 2230a_100016989147_100000210759 [0,2,0,0,0,0|2,0,0]=4 15010 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|2,0,0]=4 15011 B13R0.412 C=C[C@@H](CO)NCCCCCCCO 2230a_100016989147_100000760002 [0,2,0,0,0,0|1,0,0]=3 15012 B13R0.412 C=C[C@@H](CO)NCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|1,0,0]=3 15013 B13R0.412 O=CC(C=O)NCCCCCCCO 2230a_100011996573_100000736813 [0,2,0,0,0,0|2,0,0]=4 15014 B13R0.412 O=CC(C=O)NCCCCCCCO 34a_100011996573_100000736813 [0,2,0,0,0,0|2,0,0]=4 15015 B13R0.412 O=CC(C=O)SCCCCCCCO 62a_100000736813_100000760002 [0,2,0,0,0,0|2,0,0]=4 15016 B13R0.412 O=CC(C=O)SCCCCCCCO 62a_100000760002_100000736813 [0,2,0,0,0,0|2,0,0]=4 15017 B13R0.1215 C=CC(C)(C)OCCCCCCCC 34a_100011215311_100000210759 [0,2,0,0,0,0|2,0,0]=4 15018 B13R0.1215 C=CC(C)(C)OCCCCCCCC 7a_100011215311_100000210759 [0,2,0,0,0,0|2,0,0]=4 15019 B13R0.1215 C=CC(C)(C)OCCCCCCCO 34a_100011215311_100000760002 [0,2,0,0,0,0|1,0,0]=3 15020 B13R0.1215 C=CC(C)(C)OCCCCCCCO 7a_100011215311_100000760002 [0,2,0,0,0,0|1,0,0]=3 15021 B13R0.1215 C=CC(F)(F)SCCCCCCCC 62a_100000210759_100009814244 [0,2,0,0,0,0|2,0,0]=4 15022 B13R0.1215 C=CC(F)(F)SCCCCCCCC 62a_100009814244_100000210317 [0,2,0,0,0,0|2,0,0]=4 15023 B13R0.1215 C=CC(F)(F)SCCCCCCCO 62a_100000760002_100009814244 [0,2,0,0,0,0|1,0,0]=3 15024 B13R0.1215 C=CC(F)(F)SCCCCCCCO 62a_100009814244_100000760002 [0,2,0,0,0,0|1,0,0]=3 15025 B13R0.1215 C=CCCCCCCNC(C)(C)CC 2230a_100000211385_100011215473 [0,2,0,0,0,0|2,0,0]=4 15026 B13R0.1215 C=CCCCCCCNC(C)(C)CO 2230a_100000210608_100011215473 [0,2,0,0,0,0|1,0,0]=3 15027 B13R0.1215 C=CCCCCCCOC(C)(C)CC 7a_100000210230_100011215473 [0,2,0,0,0,0|2,0,0]=4 15028 B13R0.1215 C=CCCCCCCOC(C)(C)CC 7a_200011216477_100000210677 [0,2,0,0,0,0|2,0,0]=4 15029 B13R0.1215 C=CCCCCCCOC(C)(C)CCl 7a_100000764493_100011215473 [0,2,0,0,0,0|2,0,0]=4 15030 B13R0.1215 C=CCCCCCCSC(C)(C)CC 62a_100000032637_100011215473 [0,2,0,0,0,0|2,0,0]=4 15031 B13R0.1215 C=CCCCCCCSC(C)(C)CC 62a_100011215473_100000032637 [0,2,0,0,0,0|2,0,0]=4 15032 B13R0.1215 C=CCCCCCCSC(F)(F)CO 62a_100011215473_100011217949 [0,2,0,0,0,0|1,0,0]=3 15033 B13R0.1215 C=CCCCCCCSC(F)(F)CO 62a_100011217949_100011215473 [0,2,0,0,0,0|1,0,0]=3 15034 B13R0.1215 C=CCCCCCNCC(C)(C)CO 2230a_100020635058_100000700193 [0,2,0,0,0,0|1,0,0]=3 15035 B13R0.1215 C=CCCCCCOCC(C)(C)CC 7a_100000765029_100000700193 [0,2,0,0,0,0|2,0,0]=4 15036 B13R0.1215 C=CCCCCCOCC(C)(C)CCl 7a_100011217199_100000700193 [0,2,0,0,0,0|2,0,0]=4 15037 B13R0.1215 C=CCCCCCOCC(C)(C)CO 34a_100011216702_100009813988 [0,2,0,0,0,0|1,0,0]=3 15038 B13R0.1215 C=CCCCCCOCC(C)(C)CO 7a_100011216702_100009813988 [0,2,0,0,0,0|1,0,0]=3 15039 B13R0.1215 C=CCCCCCOCC(F)(F)CN 34a_100000703232_100000700193 [0,2,0,0,0,0|2,0,0]=4 15040 B13R0.1215 C=CCCCCCSCC(C)(C)CO 62a_100000700193_100009813988 [0,2,0,0,0,0|1,0,0]=3 15041 B13R0.1215 C=CCCCCCSCC(C)(C)CO 62a_100009813988_100000700193 [0,2,0,0,0,0|1,0,0]=3 15042 B13R0.1215 C=CCCCNCCCC(C)(C)CO 2230a_100000039164_100011713584 [0,2,0,0,0,0|1,0,0]=3 15043 B13R0.1215 C=COCCCCOCC(C)(C)CO 34a_100000031558_100009813988 [0,2,0,0,0,0|2,0,0]=4 15044 B13R0.1215 C=COCCCCOCC(C)(C)CO 7a_100000031558_100009813988 [0,2,0,0,0,0|2,0,0]=4 15045 B13R0.1215 C=COCCNCCCC(C)(C)CO 2230a_100000039164_100000039644 [0,2,0,0,0,0|2,0,0]=4 15046 B13R0.1215 C=C[Si](C)(C)CNCCCCCCO 2230a_100000686447_100000038793 [0,2,0,0,0,0|1,1,0]=4 15047 B13R0.1215 C=C[Si](C)(C)CSCCCCCCO 62a_100000038793_100000766143 [0,2,0,0,0,0|1,1,0]=4 15048 B13R0.1215 C=C[Si](C)(C)CSCCCCCCO 62a_100000766143_100000038793 [0,2,0,0,0,0|1,1,0]=4 15049 B13R0.1215 CC(C)(CO)CCCNCCCC=O 2230a_100000039164_200011292268 [0,2,0,0,0,0|2,0,0]=4 15050 B13R0.1215 CC(C)(CO)CNCCCCCC=O 2230a_100020635058_100000139337 [0,2,0,0,0,0|2,0,0]=4 15051 B13R0.1215 CC(C)(CO)CSCCCCCC=O 62a_100000139337_100009813988 [0,2,0,0,0,0|2,0,0]=4 15052 B13R0.1215 CC(C)(CO)CSCCCCCC=O 62a_100009813988_100000139337 [0,2,0,0,0,0|2,0,0]=4 15053 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [1,0,0,1,0,0|1,0,0]=3 15054 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [1,0,0,1,0,0|1,0,0]=3 15055 B11R1.4 C=CCCCCN1CCSC1 2230a_100011215254_100011215482 [1,0,0,1,0,0|2,0,0]=4 15056 B11R1.4 C=CCCCCN1CCSC1 269982a_100011215254_100011215482 [1,0,0,1,0,0|2,0,0]=4 15057 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [1,0,0,1,0,0|1,0,0]=3 15058 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [1,0,0,1,0,0|1,0,0]=3 15059 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [1,0,0,1,0,0|1,0,0]=3 15060 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [1,0,0,1,0,0|1,0,0]=3 15061 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [1,0,0,1,0,0|1,0,0]=3 15062 B11R1.4 C=CCCCNC1CCOC1 2230a_100000700776_100000731011 [1,0,0,1,0,0|2,0,0]=4 15063 B11R1.4 C=CCCCNC1CCOC1 270004a_100000700776_100000752484 [1,0,0,1,0,0|2,0,0]=4 15064 B11R1.4 C=CCCCNC1CCOC1 34a_100000700776_100000690089 [1,0,0,1,0,0|2,0,0]=4 15065 B11R1.4 C=CCCCNC1CCSC1 270004a_100000700776_100000212027 [1,0,0,1,0,0|2,0,0]=4 15066 B11R1.4 C=CCCCN[C@@H]1CCOC1 2230a_200015188469_100011713584 [1,0,0,1,0,0|2,0,0]=4 15067 B11R1.4 C=CCCCN[C@H]1CCOC1 2230a_100015188467_100011713584 [1,0,0,1,0,0|2,0,0]=4 15068 B11R1.4 C=CCCCN[C@H]1CCOC1 34a_100015188467_100000757094 [1,0,0,1,0,0|2,0,0]=4 15069 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [1,0,0,1,0,0|1,0,0]=3 15070 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [1,0,0,1,0,0|1,0,0]=3 15071 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [1,0,0,1,0,0|1,0,0]=3 15072 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [1,0,0,1,0,0|1,0,0]=3 15073 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [1,0,0,1,0,0|1,0,0]=3 15074 B11R1.4 C=CCCCOC1CCOC1 34a_100000758997_100000690089 [1,0,0,1,0,0|2,0,0]=4 15075 B11R1.4 C=CCCCOC1CCOC1 7a_100000758997_100000731011 [1,0,0,1,0,0|2,0,0]=4 15076 B11R1.4 C=CCCCOC1CCSC1 7a_100011232664_100000757094 [1,0,0,1,0,0|2,0,0]=4 15077 B11R1.4 C=CCCCO[C@H]1CCOC1 34a_100000717292_100000757094 [1,0,0,1,0,0|2,0,0]=4 15078 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [1,0,0,1,0,0|1,0,0]=3 15079 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [1,0,0,1,0,0|1,0,0]=3 15080 B11R1.4 C=CCCCSC1CCOC1 62a_100011713584_100000690089 [1,0,0,1,0,0|2,0,0]=4 15081 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [1,0,0,1,0,0|1,0,0]=3 15082 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [1,0,0,1,0,0|1,0,0]=3 15083 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [1,0,0,1,0,0|1,0,0]=3 15084 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [1,0,0,1,0,0|1,0,0]=3 15085 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [1,0,0,1,0,0|1,0,0]=3 15086 B11R1.4 C=CCCNCC1CCOC1 2230a_100000737293_100000754431 [1,0,0,1,0,0|2,0,0]=4 15087 B11R1.4 C=CCCNCC1CCOC1 2230a_100015191253_100000702531 [1,0,0,1,0,0|2,0,0]=4 15088 B11R1.4 C=CCCNCC1CCOC1 34a_100000737293_100000754431 [1,0,0,1,0,0|2,0,0]=4 15089 B11R1.4 C=CCCNCC1OCCO1 2230a_100000036311_100000754431 [1,0,0,1,0,0|2,0,0]=4 15090 B11R1.4 C=CCCNCC1OCCO1 2230a_100015191253_100000755774 [1,0,0,1,0,0|2,0,0]=4 15091 B11R1.4 C=CCCNCC1OCCO1 34a_100000036311_100000754431 [1,0,0,1,0,0|2,0,0]=4 15092 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [1,0,0,1,0,0|1,0,0]=3 15093 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [1,0,0,1,0,0|1,0,0]=3 15094 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [1,0,0,1,0,0|1,0,0]=3 15095 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [1,0,0,1,0,0|1,0,0]=3 15096 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [1,0,0,1,0,0|1,0,0]=3 15097 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [1,0,0,1,0,0|1,0,0]=3 15098 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [1,0,0,1,0,0|1,0,0]=3 15099 B11R1.4 C=CCCOCC1CCNC1 34a_100000748654_100000754431 [1,0,0,1,0,0|2,0,0]=4 15100 B11R1.4 C=CCCOCC1CCOC1 34a_100000740260_100000754431 [1,0,0,1,0,0|2,0,0]=4 15101 B11R1.4 C=CCCOCC1CCOC1 34a_100011205117_100011261433 [1,0,0,1,0,0|2,0,0]=4 15102 B11R1.4 C=CCCOCC1COCO1 34a_100011216627_100000754431 [1,0,0,1,0,0|2,0,0]=4 15103 B11R1.4 C=CCCOCC1OCCO1 34a_100000087154_100000754431 [1,0,0,1,0,0|2,0,0]=4 15104 B11R1.4 C=CCCOCC1OCCO1 34a_100011205117_100000755774 [1,0,0,1,0,0|2,0,0]=4 15105 B11R1.4 C=CCCOC[C@H]1CCCN1 34a_100000745186_100000754431 [1,0,0,1,0,0|2,0,0]=4 15106 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [1,0,0,1,0,0|1,0,0]=3 15107 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [1,0,0,1,0,0|1,0,0]=3 15108 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [1,0,0,1,0,0|1,0,0]=3 15109 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [1,0,0,1,0,0|1,0,0]=3 15110 B11R1.4 C=CCCSCC1CCOC1 62a_100000702531_100000754431 [1,0,0,1,0,0|2,0,0]=4 15111 B11R1.4 C=CCCSCC1CCOC1 62a_100000754431_100000702531 [1,0,0,1,0,0|2,0,0]=4 15112 B11R1.4 C=CCCSCC1OCCO1 62a_100000754431_100000755774 [1,0,0,1,0,0|2,0,0]=4 15113 B11R1.4 C=CCCSCC1OCCO1 62a_100000755774_100000754431 [1,0,0,1,0,0|2,0,0]=4 15114 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [1,0,0,1,0,0|1,0,0]=3 15115 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [1,0,0,1,0,0|1,0,0]=3 15116 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [1,0,0,1,0,0|1,0,0]=3 15117 B11R1.4 C=CCNCCC1OCCO1 2230a_100000034215_100000210623 [1,0,0,1,0,0|2,0,0]=4 15118 B11R1.4 C=CCNCCC1OCCO1 2230a_100020586998_100000740749 [1,0,0,1,0,0|2,0,0]=4 15119 B11R1.4 C=CCNCCC1OCCO1 34a_100000034215_100015514636 [1,0,0,1,0,0|2,0,0]=4 15120 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [1,0,0,1,0,0|1,0,0]=3 15121 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [1,0,0,1,0,0|1,0,0]=3 15122 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [1,0,0,1,0,0|1,0,0]=3 15123 B11R1.4 C=CCOCCC1CCNC1 34a_100016987287_100015514636 [1,0,0,1,0,0|2,0,0]=4 15124 B11R1.4 C=CCOCCC1CCOC1 34a_100011879284_100015514636 [1,0,0,1,0,0|2,0,0]=4 15125 B11R1.4 C=CCOCCC1OCCO1 34a_200000210373_100000740749 [1,0,0,1,0,0|2,0,0]=4 15126 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [1,0,0,1,0,0|1,0,0]=3 15127 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [1,0,0,1,0,0|1,0,0]=3 15128 B11R1.4 C=CCSCCC1OCCO1 62a_100000210623_100000740749 [1,0,0,1,0,0|2,0,0]=4 15129 B11R1.4 C=CCSCCN1CCCC1 62a_100000210623_100000004467 [1,0,0,1,0,0|2,0,0]=4 15130 B11R1.4 C=CCSCCN1CCCC1 62a_100000700749_100000210623 [1,0,0,1,0,0|2,0,0]=4 15131 B11R1.4 C=COCCNC1CCCC1 2230a_100000211070_100000039644 [1,0,0,1,0,0|2,0,0]=4 15132 B11R1.4 C=COCCNC1CCCC1 34a_100000211070_100000039644 [1,0,0,1,0,0|2,0,0]=4 15133 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [1,0,0,1,0,0|2,0,0]=4 15134 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [1,0,0,1,0,0|2,0,0]=4 15135 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [1,0,0,1,0,0|2,0,0]=4 15136 B11R1.4 C=COCCOC1CCCO1 34a_100000085407_100000039644 [1,0,0,1,0,0|2,0,0]=4 15137 B11R1.4 C=COCCSC1CCCC1 62a_100000039644_100000179811 [1,0,0,1,0,0|2,0,0]=4 15138 B11R1.4 C=COCCSC1CCCC1 62a_100011217020_100000039644 [1,0,0,1,0,0|2,0,0]=4 15139 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,0,0,1,0,0|1,0,1]=4 15140 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|1,0,1]=4 15141 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|1,0,1]=4 15142 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|1,0,1]=4 15143 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|1,0,1]=4 15144 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,1]=4 15145 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,1]=4 15146 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,1]=4 15147 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,0,1]=4 15148 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,0,1]=4 15149 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [1,0,0,1,0,0|2,0,0]=4 15150 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [1,0,0,1,0,0|2,0,0]=4 15151 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [1,0,0,1,0,0|2,0,0]=4 15152 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [1,0,0,1,0,0|2,0,0]=4 15153 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 15154 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 15155 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [1,0,0,1,0,0|2,0,0]=4 15156 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [1,0,0,1,0,0|2,0,0]=4 15157 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|2,0,0]=4 15158 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|2,0,0]=4 15159 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|2,0,0]=4 15160 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|2,0,0]=4 15161 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|2,0,0]=4 15162 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|2,0,0]=4 15163 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|2,0,0]=4 15164 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|2,0,0]=4 15165 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|2,0,0]=4 15166 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|2,0,0]=4 15167 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|2,0,0]=4 15168 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|2,0,0]=4 15169 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 15170 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 15171 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [1,0,0,1,0,0|1,0,1]=4 15172 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 15173 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [1,0,0,1,0,0|1,0,1]=4 15174 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [1,0,0,1,0,0|1,0,1]=4 15175 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 15176 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [1,0,0,1,0,0|1,0,1]=4 15177 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [1,0,0,1,0,0|1,0,1]=4 15178 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [1,0,0,1,0,0|2,0,0]=4 15179 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [1,0,0,1,0,0|1,0,1]=4 15180 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [1,0,0,1,0,0|1,0,1]=4 15181 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 15182 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [1,0,0,1,0,0|1,0,1]=4 15183 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 15184 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [1,0,0,1,0,0|2,0,0]=4 15185 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [1,0,0,1,0,0|2,0,0]=4 15186 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,1]=4 15187 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,1]=4 15188 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [1,0,0,1,0,0|2,0,0]=4 15189 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [1,0,0,1,0,0|2,0,0]=4 15190 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 15191 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [1,0,0,1,0,0|1,0,1]=4 15192 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [1,0,0,1,0,0|1,0,1]=4 15193 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [1,0,0,1,0,0|2,0,0]=4 15194 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [1,0,0,1,0,0|2,0,0]=4 15195 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 15196 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [1,0,0,1,0,0|1,0,1]=4 15197 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 15198 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [1,0,0,1,0,0|1,0,1]=4 15199 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 15200 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 15201 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [1,0,0,1,0,0|1,0,1]=4 15202 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [1,0,0,1,0,0|1,0,1]=4 15203 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|2,0,0]=4 15204 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|2,0,0]=4 15205 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|1,0,0]=3 15206 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|1,0,0]=3 15207 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|1,0,0]=3 15208 B11R1.17 C=CCCN1CCOC[C@@H]1C 2230a_100009815349_100000754431 [1,0,0,1,0,0|2,0,0]=4 15209 B11R1.17 C=CCCN1CCOC[C@@H]1C 269982a_100009815349_100000754431 [1,0,0,1,0,0|2,0,0]=4 15210 B11R1.17 C=CCCN1CCOC[C@@H]1C 34a_100009815349_100000754431 [1,0,0,1,0,0|2,0,0]=4 15211 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|1,0,0]=3 15212 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|1,0,0]=3 15213 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|1,0,0]=3 15214 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [1,0,0,1,0,0|2,0,0]=4 15215 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [1,0,0,1,0,0|2,0,0]=4 15216 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [1,0,0,1,0,0|2,0,0]=4 15217 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [1,0,0,1,0,0|2,0,0]=4 15218 B11R1.17 C=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210623 [1,0,0,1,0,0|2,0,0]=4 15219 B11R1.17 C=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210623 [1,0,0,1,0,0|2,0,0]=4 15220 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|1,0,0]=3 15221 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|1,0,0]=3 15222 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [1,0,0,1,0,0|2,0,0]=4 15223 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [1,0,0,1,0,0|2,0,0]=4 15224 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [1,0,0,1,0,0|2,0,0]=4 15225 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [1,0,0,1,0,0|1,0,0]=3 15226 B11R1.17 C=CCOC1CCNCC1C 34a_100011998114_100015514636 [1,0,0,1,0,0|2,0,0]=4 15227 B11R1.17 C=CCOC1CNCCC1C 34a_100000696640_100015514636 [1,0,0,1,0,0|2,0,0]=4 15228 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [1,0,0,1,0,0|2,0,0]=4 15229 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [1,0,0,1,0,0|2,0,0]=4 15230 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [1,0,0,1,0,0|2,0,0]=4 15231 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [1,0,0,1,0,0|2,0,0]=4 15232 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [1,0,0,1,0,0|2,0,0]=4 15233 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [1,0,0,1,0,0|1,0,0]=3 15234 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [1,0,0,1,0,0|1,0,0]=3 15235 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|2,0,0]=4 15236 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|2,0,0]=4 15237 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 15238 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 15239 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 15240 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 15241 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|2,0,0]=4 15242 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|2,0,0]=4 15243 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 15244 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 15245 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 15246 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,1]=4 15247 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 15248 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|2,0,0]=4 15249 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|2,0,0]=4 15250 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [1,0,0,1,0,0|1,0,1]=4 15251 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|2,0,0]=4 15252 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|2,0,0]=4 15253 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [1,0,0,1,0,0|1,0,1]=4 15254 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [1,0,0,1,0,0|1,0,1]=4 15255 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 15256 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|2,0,0]=4 15257 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|2,0,0]=4 15258 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15259 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15260 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 15261 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [1,0,0,1,0,0|2,0,0]=4 15262 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [1,0,0,1,0,0|2,0,0]=4 15263 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [1,0,0,1,0,0|2,0,0]=4 15264 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [1,0,0,1,0,0|2,0,0]=4 15265 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [1,0,0,1,0,0|2,0,0]=4 15266 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [1,0,0,1,0,0|2,0,0]=4 15267 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 15268 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 15269 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [1,0,0,1,0,0|2,0,0]=4 15270 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [1,0,0,1,0,0|2,0,0]=4 15271 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [1,0,0,1,0,0|2,0,0]=4 15272 B11R1.17 OC1CCCCC1SCCF 62a_100000038908_100011217306 [1,0,0,1,0,0|2,0,0]=4 15273 B11R1.17 OC1CCCCC1SCCF 62a_100011217306_100000038908 [1,0,0,1,0,0|2,0,0]=4 15274 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [1,0,0,1,0,0|2,0,0]=4 15275 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [1,0,0,1,0,0|2,0,0]=4 15276 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [1,0,0,1,0,0|2,0,0]=4 15277 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [1,0,0,1,0,0|2,0,0]=4 15278 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 15279 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 15280 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [1,0,0,1,0,0|2,0,0]=4 15281 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [1,0,0,1,0,0|2,0,0]=4 15282 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [1,0,0,1,0,0|2,0,0]=4 15283 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [1,0,0,1,0,0|2,0,0]=4 15284 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 15285 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [1,0,0,1,0,0|2,0,0]=4 15286 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15287 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15288 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 15289 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|1,0,0]=3 15290 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|1,0,0]=3 15291 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|1,0,0]=3 15292 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [1,0,0,1,0,0|1,0,0]=3 15293 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [1,0,0,1,0,0|1,0,0]=3 15294 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [1,0,0,1,0,0|1,0,0]=3 15295 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|1,0,0]=3 15296 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 15297 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 15298 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 15299 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [1,0,0,1,0,0|1,0,1]=4 15300 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 15301 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,1]=4 15302 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,1]=4 15303 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 15304 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 15305 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,1]=4 15306 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 15307 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [1,0,0,1,0,0|2,0,0]=4 15308 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 15309 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 15310 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 15311 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 15312 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [1,0,0,1,0,0|2,0,0]=4 15313 B11R1.28 C=CCCCN1CCCOC1 2230a_100000131196_100011713584 [1,0,0,1,0,0|2,0,0]=4 15314 B11R1.28 C=CCCCN1CCCOC1 269982a_100000131196_100000757094 [1,0,0,1,0,0|2,0,0]=4 15315 B11R1.28 C=CCCCN1CCCOC1 34a_100000131196_100000757094 [1,0,0,1,0,0|2,0,0]=4 15316 B11R1.28 C=CCCCN1CCOCC1 2230a_100015191051_100011713584 [1,0,0,1,0,0|2,0,0]=4 15317 B11R1.28 C=CCCCN1CCOCC1 269982a_100015191051_100000757094 [1,0,0,1,0,0|2,0,0]=4 15318 B11R1.28 C=CCCCN1CCOCC1 34a_100015191051_100000757094 [1,0,0,1,0,0|2,0,0]=4 15319 B11R1.28 C=CCCCN1CCSCC1 2230a_100000737611_100011713584 [1,0,0,1,0,0|2,0,0]=4 15320 B11R1.28 C=CCCCN1CCSCC1 269982a_100000737611_100000757094 [1,0,0,1,0,0|2,0,0]=4 15321 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|1,0,0]=3 15322 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|1,0,0]=3 15323 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|1,0,0]=3 15324 B11R1.28 C=CCCNC1CCCOC1 2230a_100000719290_100000754431 [1,0,0,1,0,0|2,0,0]=4 15325 B11R1.28 C=CCCNC1CCCOC1 270004a_100015191253_100000753404 [1,0,0,1,0,0|2,0,0]=4 15326 B11R1.28 C=CCCNC1CCCOC1 34a_100000719290_100000754431 [1,0,0,1,0,0|2,0,0]=4 15327 B11R1.28 C=CCCNC1CCCSC1 270004a_100015191253_100000057913 [1,0,0,1,0,0|2,0,0]=4 15328 B11R1.28 C=CCCNC1CCNCC1 270004a_100015191253_100015192401 [1,0,0,1,0,0|2,0,0]=4 15329 B11R1.28 C=CCCNC1CCOCC1 2230a_100000741149_100000754431 [1,0,0,1,0,0|2,0,0]=4 15330 B11R1.28 C=CCCNC1CCOCC1 270004a_100015191253_100011217826 [1,0,0,1,0,0|2,0,0]=4 15331 B11R1.28 C=CCCNC1CCOCC1 34a_100000741149_100000754431 [1,0,0,1,0,0|2,0,0]=4 15332 B11R1.28 C=CCCNC1CCSCC1 2230a_100000748639_100000754431 [1,0,0,1,0,0|2,0,0]=4 15333 B11R1.28 C=CCCNC1CCSCC1 270004a_100015191253_100000203788 [1,0,0,1,0,0|2,0,0]=4 15334 B11R1.28 C=CCCNC1CCSCC1 34a_100000748639_100000754431 [1,0,0,1,0,0|2,0,0]=4 15335 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|1,0,0]=3 15336 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|1,0,0]=3 15337 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|1,0,0]=3 15338 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [1,0,0,1,0,0|1,0,0]=3 15339 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [1,0,0,1,0,0|2,0,0]=4 15340 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [1,0,0,1,0,0|2,0,0]=4 15341 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [1,0,0,1,0,0|2,0,0]=4 15342 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [1,0,0,1,0,0|2,0,0]=4 15343 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [1,0,0,1,0,0|2,0,0]=4 15344 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [1,0,0,1,0,0|2,0,0]=4 15345 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [1,0,0,1,0,0|2,0,0]=4 15346 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|1,0,0]=3 15347 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|1,0,0]=3 15348 B11R1.28 C=CCCSC1CCCOC1 62a_100000754431_100000693364 [1,0,0,1,0,0|2,0,0]=4 15349 B11R1.28 C=CCCSC1CCOCC1 62a_100000754431_100011324220 [1,0,0,1,0,0|2,0,0]=4 15350 B11R1.28 C=CCCSC1CCSCC1 62a_100000754431_100000069128 [1,0,0,1,0,0|2,0,0]=4 15351 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|1,0,0]=3 15352 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|1,0,0]=3 15353 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|1,0,0]=3 15354 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [1,0,0,1,0,0|1,0,0]=3 15355 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [1,0,0,1,0,0|1,0,0]=3 15356 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [1,0,0,1,0,0|1,0,0]=3 15357 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [1,0,0,1,0,0|2,0,0]=4 15358 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [1,0,0,1,0,0|2,0,0]=4 15359 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [1,0,0,1,0,0|2,0,0]=4 15360 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [1,0,0,1,0,0|2,0,0]=4 15361 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [1,0,0,1,0,0|2,0,0]=4 15362 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [1,0,0,1,0,0|2,0,0]=4 15363 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [1,0,0,1,0,0|2,0,0]=4 15364 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [1,0,0,1,0,0|2,0,0]=4 15365 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [1,0,0,1,0,0|2,0,0]=4 15366 B11R1.28 C=CCNC[C@H]1COCCO1 2230a_100010981119_100000210623 [1,0,0,1,0,0|2,0,0]=4 15367 B11R1.28 C=CCNC[C@H]1COCCO1 34a_100010981119_100015514636 [1,0,0,1,0,0|2,0,0]=4 15368 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|1,0,0]=3 15369 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|1,0,0]=3 15370 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|1,0,0]=3 15371 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [1,0,0,1,0,0|2,0,0]=4 15372 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [1,0,0,1,0,0|1,0,0]=3 15373 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [1,0,0,1,0,0|1,0,0]=3 15374 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [1,0,0,1,0,0|1,0,0]=3 15375 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [1,0,0,1,0,0|2,0,0]=4 15376 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [1,0,0,1,0,0|2,0,0]=4 15377 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [1,0,0,1,0,0|2,0,0]=4 15378 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [1,0,0,1,0,0|2,0,0]=4 15379 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [1,0,0,1,0,0|2,0,0]=4 15380 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [1,0,0,1,0,0|2,0,0]=4 15381 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [1,0,0,1,0,0|2,0,0]=4 15382 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [1,0,0,1,0,0|2,0,0]=4 15383 B11R1.28 C=CCOC[C@@H]1CNCCO1 34a_100015189573_100015514636 [1,0,0,1,0,0|2,0,0]=4 15384 B11R1.28 C=CCOC[C@H]1COCCO1 34a_100009875890_100015514636 [1,0,0,1,0,0|2,0,0]=4 15385 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|1,0,0]=3 15386 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|1,0,0]=3 15387 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [1,0,0,1,0,0|1,0,0]=3 15388 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [1,0,0,1,0,0|1,0,0]=3 15389 B11R1.28 C=CCSCC1CCCOC1 62a_100000210623_100000741521 [1,0,0,1,0,0|2,0,0]=4 15390 B11R1.28 C=CCSCC1CCCOC1 62a_100000741521_100000210623 [1,0,0,1,0,0|2,0,0]=4 15391 B11R1.28 C=CCSCC1CCOCC1 62a_100000210623_100000749018 [1,0,0,1,0,0|2,0,0]=4 15392 B11R1.28 C=CCSCC1CCOCC1 62a_100000754603_100000210623 [1,0,0,1,0,0|2,0,0]=4 15393 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,1,0,0|1,0,0]=3 15394 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,1,0,0|1,0,0]=3 15395 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,1,0,0|1,0,0]=3 15396 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,1,0,0|1,0,0]=3 15397 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,1]=4 15398 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,1,0,0|1,0,0]=3 15399 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,1,0,0|1,0,0]=3 15400 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15401 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15402 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,1]=4 15403 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15404 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15405 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,1]=4 15406 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,1]=4 15407 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15408 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15409 B11R1.28 CCOCSC1C=CCCC1 62a_100000739092_100000751183 [1,0,0,1,0,0|2,0,0]=4 15410 B11R1.28 CCOCSC1C=CCCC1 62a_100000751183_100000739092 [1,0,0,1,0,0|2,0,0]=4 15411 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 15412 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 15413 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 15414 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,1]=4 15415 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 15416 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 15417 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|1,0,1]=4 15418 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 15419 B11R1.28 COCCNC1C=CCCC1 2230a_100000209980_100000751183 [1,0,0,1,0,0|2,0,0]=4 15420 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [1,0,0,1,0,0|2,0,0]=4 15421 B11R1.28 COCCSC1C=CCCC1 62a_100000233755_100000751183 [1,0,0,1,0,0|2,0,0]=4 15422 B11R1.28 COCCSC1C=CCCC1 62a_100000751183_100000233755 [1,0,0,1,0,0|2,0,0]=4 15423 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|1,0,1]=4 15424 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|1,0,1]=4 15425 B11R1.28 CSCCNC1C=CCCC1 2230a_100020590264_100000751183 [1,0,0,1,0,0|2,0,0]=4 15426 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [1,0,0,1,0,0|2,0,0]=4 15427 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [1,0,0,1,0,0|2,0,0]=4 15428 B11R1.28 CSCCSC1C=CCCC1 62a_100000212216_100000751183 [1,0,0,1,0,0|2,0,0]=4 15429 B11R1.28 CSCCSC1C=CCCC1 62a_100000751183_100000751147 [1,0,0,1,0,0|2,0,0]=4 15430 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [1,0,0,1,0,0|2,0,0]=4 15431 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [1,0,0,1,0,0|2,0,0]=4 15432 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [1,0,0,1,0,0|2,0,0]=4 15433 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [1,0,0,1,0,0|2,0,0]=4 15434 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [1,0,0,1,0,0|2,0,0]=4 15435 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [1,0,0,1,0,0|2,0,0]=4 15436 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [1,0,0,1,0,0|2,0,0]=4 15437 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [1,0,0,1,0,0|2,0,0]=4 15438 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 15439 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 15440 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [1,0,0,1,0,0|2,0,0]=4 15441 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [1,0,0,1,0,0|2,0,0]=4 15442 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [1,0,0,1,0,0|2,0,0]=4 15443 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [1,0,0,1,0,0|2,0,0]=4 15444 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|2,0,0]=4 15445 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|2,0,0]=4 15446 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,0,0,1,0,0|2,0,0]=4 15447 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,0,0,1,0,0|2,0,0]=4 15448 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|2,0,0]=4 15449 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|2,0,0]=4 15450 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,0,0,1,0,0|2,0,0]=4 15451 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,0,0,1,0,0|2,0,0]=4 15452 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|2,0,0]=4 15453 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|2,0,0]=4 15454 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,0,0,1,0,0|2,0,0]=4 15455 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,0,0,1,0,0|2,0,0]=4 15456 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 15457 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,0,0,1,0,0|1,0,1]=4 15458 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 15459 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [1,0,0,1,0,0|1,0,0]=3 15460 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,1]=4 15461 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,1]=4 15462 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [1,0,0,1,0,0|2,0,0]=4 15463 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [1,0,0,1,0,0|1,0,0]=3 15464 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [1,0,0,1,0,0|1,0,0]=3 15465 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,0,0,1,0,0|1,0,1]=4 15466 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,0,0,1,0,0|1,0,1]=4 15467 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 15468 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,0,0,1,0,0|1,0,1]=4 15469 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,0,0,1,0,0|1,0,1]=4 15470 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 15471 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,0,0,1,0,0|1,0,1]=4 15472 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 15473 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [1,0,0,1,0,0|2,0,0]=4 15474 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 15475 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [1,0,0,1,0,0|2,0,0]=4 15476 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 15477 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 15478 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 15479 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,0,0,1,0,0|2,0,0]=4 15480 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,0,0,1,0,0|2,0,0]=4 15481 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,0,0,1,0,0|1,0,1]=4 15482 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,0,0,1,0,0|1,0,1]=4 15483 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [1,0,0,1,0,0|2,0,0]=4 15484 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [1,0,0,1,0,0|2,0,0]=4 15485 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 15486 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 15487 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 15488 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 15489 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|1,0,1]=4 15490 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|1,0,1]=4 15491 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|1,0,0]=3 15492 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|1,0,0]=3 15493 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|1,0,0]=3 15494 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|1,0,0]=3 15495 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|1,0,0]=3 15496 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [1,0,0,1,0,0|1,0,0]=3 15497 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [1,0,0,1,0,0|1,0,0]=3 15498 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [1,0,0,1,0,0|1,0,0]=3 15499 B11R1.41 C=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000210623 [1,0,0,1,0,0|2,0,0]=4 15500 B11R1.41 C=CCN1CCOC[C@@H]1CC 269982a_100016988097_100000210623 [1,0,0,1,0,0|2,0,0]=4 15501 B11R1.41 C=CCN1CCOC[C@@H]1CC 34a_100016988097_100015514636 [1,0,0,1,0,0|2,0,0]=4 15502 B11R1.41 C=CCN1CCOC[C@H]1CO 2230a_100000717676_100000210623 [1,0,0,1,0,0|2,0,0]=4 15503 B11R1.41 C=CCN1CCOC[C@H]1CO 269982a_100000717676_100000210623 [1,0,0,1,0,0|2,0,0]=4 15504 B11R1.41 C=CCN1CCOC[C@H]1CO 34a_100000717676_100015514636 [1,0,0,1,0,0|2,0,0]=4 15505 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|2,0,0]=4 15506 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|2,0,0]=4 15507 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|2,0,0]=4 15508 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15509 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15510 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 15511 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,1]=4 15512 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,1]=4 15513 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 15514 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 15515 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 15516 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 15517 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15518 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15519 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 15520 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 15521 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,1]=4 15522 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 15523 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [1,0,0,1,0,0|1,0,1]=4 15524 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 15525 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 15526 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 15527 B11R1.41 OCC1CCCCN1CCF 2230a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 15528 B11R1.41 OCC1CCCCN1CCF 269982a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 15529 B11R1.41 OCC1CCCCN1CCF 34a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 15530 B11R1.41 OCCC1CCCCN1CF 269982a_100000211664_100015361967 [1,0,0,1,0,0|2,0,0]=4 15531 B11R1.41 OCCC1CCCCN1CF 34a_100000211664_100015361967 [1,0,0,1,0,0|2,0,0]=4 15532 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 15533 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 15534 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 15535 B11R1.46 C=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215482 [1,0,0,1,0,0|2,0,0]=4 15536 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215482 [1,0,0,1,0,0|2,0,0]=4 15537 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215482 [1,0,0,1,0,0|2,0,0]=4 15538 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [1,0,0,1,0,0|1,0,0]=3 15539 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [1,0,0,1,0,0|1,0,0]=3 15540 B11R1.46 C=COCCOCC1CC1C 34a_100000744939_100000039644 [1,0,0,1,0,0|2,0,0]=4 15541 B11R1.46 C=COCCOCC1CC1C 7a_100000744939_100000039644 [1,0,0,1,0,0|2,0,0]=4 15542 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [1,0,0,1,0,0|2,0,0]=4 15543 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [1,0,0,1,0,0|1,0,1]=4 15544 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [1,0,0,1,0,0|1,0,1]=4 15545 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [1,0,0,1,0,0|2,0,0]=4 15546 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [1,0,0,1,0,0|2,0,0]=4 15547 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [1,0,0,1,0,0|2,0,0]=4 15548 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [1,0,0,1,0,0|2,0,0]=4 15549 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [1,0,0,1,0,0|1,0,0]=3 15550 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [1,0,0,1,0,0|1,0,0]=3 15551 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [1,0,0,1,0,0|1,0,0]=3 15552 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [1,0,0,1,0,0|1,0,0]=3 15553 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [1,0,0,1,0,0|1,0,0]=3 15554 B11R1.47 C=CCCCCNC1COC1 2230a_100016991112_100011215482 [1,0,0,1,0,0|2,0,0]=4 15555 B11R1.47 C=CCCCCNC1COC1 34a_100000703577_100009818527 [1,0,0,1,0,0|2,0,0]=4 15556 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [1,0,0,1,0,0|1,0,0]=3 15557 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [1,0,0,1,0,0|1,0,0]=3 15558 B11R1.47 C=CCCCCOC1COC1 34a_100000766645_100009818527 [1,0,0,1,0,0|2,0,0]=4 15559 B11R1.47 C=CCCCCOC1COC1 7a_100000766645_100009818527 [1,0,0,1,0,0|2,0,0]=4 15560 B11R1.47 C=CCCCCOC1CSC1 7a_100000072292_100011215482 [1,0,0,1,0,0|2,0,0]=4 15561 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [1,0,0,1,0,0|1,0,0]=3 15562 B11R1.47 C=CCCCCSC1COC1 62a_100011215482_100009818527 [1,0,0,1,0,0|2,0,0]=4 15563 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [1,0,0,1,0,0|1,0,0]=3 15564 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [1,0,0,1,0,0|1,0,0]=3 15565 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [1,0,0,1,0,0|1,0,0]=3 15566 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [1,0,0,1,0,0|1,0,0]=3 15567 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [1,0,0,1,0,0|1,0,0]=3 15568 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [1,0,0,1,0,0|1,0,0]=3 15569 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [1,0,0,1,0,0|1,0,0]=3 15570 B11R1.47 C=CCCCNCC1COC1 2230a_100000700776_100010264016 [1,0,0,1,0,0|2,0,0]=4 15571 B11R1.47 C=CCCCNCC1COC1 2230a_100015281925_100011713584 [1,0,0,1,0,0|2,0,0]=4 15572 B11R1.47 C=CCCCNCC1COC1 34a_100000700776_100010264016 [1,0,0,1,0,0|2,0,0]=4 15573 B11R1.47 C=CCCCNCC1COC1 34a_100015281925_100000757094 [1,0,0,1,0,0|2,0,0]=4 15574 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [1,0,0,1,0,0|1,0,0]=3 15575 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [1,0,0,1,0,0|1,0,0]=3 15576 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [1,0,0,1,0,0|1,0,0]=3 15577 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [1,0,0,1,0,0|1,0,0]=3 15578 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [1,0,0,1,0,0|1,0,0]=3 15579 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [1,0,0,1,0,0|1,0,0]=3 15580 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [1,0,0,1,0,0|1,0,0]=3 15581 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [1,0,0,1,0,0|1,0,0]=3 15582 B11R1.47 C=CCCCOCC1CNC1 34a_100016987283_100000757094 [1,0,0,1,0,0|2,0,0]=4 15583 B11R1.47 C=CCCCOCC1COC1 34a_100000060846_100000757094 [1,0,0,1,0,0|2,0,0]=4 15584 B11R1.47 C=CCCCOCC1COC1 34a_100000758997_100010264016 [1,0,0,1,0,0|2,0,0]=4 15585 B11R1.47 C=CCCCOCC1COC1 7a_100000758997_100010264016 [1,0,0,1,0,0|2,0,0]=4 15586 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [1,0,0,1,0,0|1,0,0]=3 15587 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [1,0,0,1,0,0|1,0,0]=3 15588 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [1,0,0,1,0,0|1,0,0]=3 15589 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [1,0,0,1,0,0|1,0,0]=3 15590 B11R1.47 C=CCCCSCC1COC1 62a_100010264016_100000757094 [1,0,0,1,0,0|2,0,0]=4 15591 B11R1.47 C=CCCCSCC1COC1 62a_100011713584_100010264016 [1,0,0,1,0,0|2,0,0]=4 15592 B11R1.47 C=CCCOCCC1COC1 34a_100009855314_100000754431 [1,0,0,1,0,0|2,0,0]=4 15593 B11R1.47 C=CCOCCOC1CCC1 34a_100000037705_100000749161 [1,0,0,1,0,0|2,0,0]=4 15594 B11R1.47 C=COCCCNC1CCC1 270004a_100000210767_100000241760 [1,0,0,1,0,0|2,0,0]=4 15595 B11R1.47 C=COCCCNC1CCC1 34a_100000210767_100000749161 [1,0,0,1,0,0|2,0,0]=4 15596 B11R1.47 C=COCCNCC1CCC1 2230a_100000738700_100000039644 [1,0,0,1,0,0|2,0,0]=4 15597 B11R1.47 C=COCCNCC1CCC1 34a_100000738700_100000039644 [1,0,0,1,0,0|2,0,0]=4 15598 B11R1.47 C=COCCNC[C@@H]1CCO1 2230a_100020831831_100000039644 [1,0,0,1,0,0|2,0,0]=4 15599 B11R1.47 C=COCCNC[C@@H]1CCO1 34a_100020831831_100000039644 [1,0,0,1,0,0|2,0,0]=4 15600 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [1,0,0,1,0,0|2,0,0]=4 15601 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [1,0,0,1,0,0|2,0,0]=4 15602 B11R1.47 C=COCCOCC1CCO1 34a_100000033082_100000103362 [1,0,0,1,0,0|2,0,0]=4 15603 B11R1.47 C=COCCOCC1CCO1 34a_100000039022_100000039644 [1,0,0,1,0,0|2,0,0]=4 15604 B11R1.47 C=COCCSCC1CCC1 62a_100000039644_100000763275 [1,0,0,1,0,0|2,0,0]=4 15605 B11R1.47 C=COCCSCC1CCC1 62a_100000763275_100000039644 [1,0,0,1,0,0|2,0,0]=4 15606 B11R1.47 C=COCCSCC1CCO1 62a_100000039644_100000103362 [1,0,0,1,0,0|2,0,0]=4 15607 B11R1.47 C=COCCSCC1CCO1 62a_100000103362_100000039644 [1,0,0,1,0,0|2,0,0]=4 15608 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 15609 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 15610 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 15611 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 15612 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 15613 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 15614 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 15615 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 15616 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 15617 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 15618 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [1,0,0,1,0,0|2,0,0]=4 15619 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [1,0,0,1,0,0|2,0,0]=4 15620 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [1,0,0,1,0,0|2,0,0]=4 15621 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [1,0,0,1,0,0|2,0,0]=4 15622 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [1,0,0,1,0,0|2,0,0]=4 15623 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [1,0,0,1,0,0|2,0,0]=4 15624 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [1,0,0,1,0,0|2,0,0]=4 15625 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [1,0,0,1,0,0|2,0,0]=4 15626 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 15627 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|2,0,0]=4 15628 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|2,0,0]=4 15629 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|2,0,0]=4 15630 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|2,0,0]=4 15631 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [1,0,0,1,0,0|2,0,0]=4 15632 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|2,0,0]=4 15633 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|2,0,0]=4 15634 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [1,0,0,1,0,0|2,0,0]=4 15635 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [1,0,0,1,0,0|2,0,0]=4 15636 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [1,0,0,1,0,0|1,0,1]=4 15637 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 15638 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [1,0,0,1,0,0|1,0,1]=4 15639 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 15640 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,1]=4 15641 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,1]=4 15642 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [1,0,0,1,0,0|1,0,1]=4 15643 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [1,0,0,1,0,0|1,0,1]=4 15644 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 15645 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [1,0,0,1,0,0|1,0,1]=4 15646 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [1,0,0,1,0,0|1,0,1]=4 15647 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 15648 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 15649 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 15650 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [1,0,0,1,0,0|2,0,0]=4 15651 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [1,0,0,1,0,0|2,0,0]=4 15652 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [1,0,0,1,0,0|1,0,1]=4 15653 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [1,0,0,1,0,0|2,0,0]=4 15654 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [1,0,0,1,0,0|1,0,1]=4 15655 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [1,0,0,1,0,0|1,0,1]=4 15656 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [1,0,0,1,0,0|2,0,0]=4 15657 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 15658 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 15659 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 15660 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [1,0,0,1,0,0|2,0,0]=4 15661 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [1,0,0,1,0,0|2,0,0]=4 15662 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [1,0,0,1,0,0|2,0,0]=4 15663 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [1,0,0,1,0,0|1,0,0]=3 15664 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [1,0,0,1,0,0|1,0,0]=3 15665 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [1,0,0,1,0,0|1,0,0]=3 15666 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [1,0,0,1,0,0|1,0,0]=3 15667 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [1,0,0,1,0,0|1,0,0]=3 15668 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [1,0,0,1,0,0|1,0,0]=3 15669 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [1,0,0,1,0,0|1,0,0]=3 15670 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [1,0,0,1,0,0|1,0,0]=3 15671 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [1,0,0,1,0,0|1,0,0]=3 15672 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [1,0,0,1,0,0|1,0,0]=3 15673 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [1,0,0,1,0,0|1,0,0]=3 15674 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [1,0,0,1,0,0|1,0,0]=3 15675 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [1,0,0,1,0,0|1,0,0]=3 15676 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [1,0,0,1,0,0|1,0,0]=3 15677 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [1,0,0,1,0,0|1,0,0]=3 15678 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [1,0,0,1,0,0|1,1,0]=4 15679 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [1,0,0,1,0,0|1,0,0]=3 15680 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [1,0,0,1,0,0|1,0,0]=3 15681 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [1,0,0,1,0,0|1,0,0]=3 15682 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [1,0,0,1,0,0|1,0,0]=3 15683 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [1,0,0,1,0,0|1,0,0]=3 15684 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [1,0,0,1,0,0|1,0,0]=3 15685 B11R1.99 C=CCCCCSCC1CS1 62a_100000031435_100011215482 [1,0,0,1,0,0|1,1,0]=4 15686 B11R1.99 C=CCCCCSCC1CS1 62a_100011215482_100000031435 [1,0,0,1,0,0|1,1,0]=4 15687 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [1,0,0,1,0,0|1,0,0]=3 15688 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [1,0,0,1,0,0|1,0,0]=3 15689 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [1,0,0,1,0,0|1,0,0]=3 15690 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [1,0,0,1,0,0|1,0,0]=3 15691 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [1,0,0,1,0,0|1,0,0]=3 15692 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [1,0,0,1,0,0|1,0,0]=3 15693 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [1,0,0,1,0,0|1,0,0]=3 15694 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [1,0,0,1,0,0|1,0,0]=3 15695 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [1,0,0,1,0,0|1,0,0]=3 15696 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [1,0,0,1,0,0|1,0,0]=3 15697 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [1,0,0,1,0,0|1,0,0]=3 15698 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [1,0,0,1,0,0|1,0,0]=3 15699 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [1,0,0,1,0,0|1,0,0]=3 15700 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [1,0,0,1,0,0|1,0,0]=3 15701 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [1,0,0,1,0,0|1,0,0]=3 15702 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [1,0,0,1,0,0|1,0,0]=3 15703 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [1,0,0,1,0,0|1,0,0]=3 15704 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [1,0,0,1,0,0|1,0,0]=3 15705 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [1,0,0,1,0,0|1,0,0]=3 15706 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [1,0,0,1,0,0|1,0,0]=3 15707 B11R1.99 C=CCCOCCNC1CC1 34a_100000738766_100000754431 [1,0,0,1,0,0|2,0,0]=4 15708 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [1,0,0,1,0,0|1,0,0]=3 15709 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [1,0,0,1,0,0|1,0,0]=3 15710 B11R1.99 C=CCOCCOCC1CC1 34a_100000037705_100000742324 [1,0,0,1,0,0|2,0,0]=4 15711 B11R1.99 C=CCOCCOCC1CC1 7a_100000037705_100000742324 [1,0,0,1,0,0|2,0,0]=4 15712 B11R1.99 C=CCOCCOCC1CO1 34a_100000037705_102125554688 [1,0,0,1,0,0|2,0,0]=4 15713 B11R1.99 C=CCOCCOCC1CO1 7a_100000037705_102125554688 [1,0,0,1,0,0|2,0,0]=4 15714 B11R1.99 C=CCOCCOC[C@@H]1CO1 7a_100000037705_100000745022 [1,0,0,1,0,0|2,0,0]=4 15715 B11R1.99 C=COCCCCOC1CC1 34a_100000031558_100000211595 [1,0,0,1,0,0|2,0,0]=4 15716 B11R1.99 C=COCCCNCC1CC1 2230a_100000210767_100000742324 [1,0,0,1,0,0|2,0,0]=4 15717 B11R1.99 C=COCCCNCC1CC1 269862a_100000210767_100000741477 [1,0,0,1,0,0|2,0,0]=4 15718 B11R1.99 C=COCCCNCC1CC1 34a_100000210767_100000742324 [1,0,0,1,0,0|2,0,0]=4 15719 B11R1.99 C=COCCCNCC1CO1 2230a_100000210767_100011216344 [1,0,0,1,0,0|2,0,0]=4 15720 B11R1.99 C=COCCCNCC1CO1 34a_100000210767_102125554688 [1,0,0,1,0,0|2,0,0]=4 15721 B11R1.99 C=COCCNCCC1CC1 34a_100000764129_100000039644 [1,0,0,1,0,0|2,0,0]=4 15722 B11R1.99 C=COCCOCCC1CC1 34a_100000033082_100000694398 [1,0,0,1,0,0|2,0,0]=4 15723 B11R1.99 C=COCCOCCC1CC1 34a_100000754188_100000039644 [1,0,0,1,0,0|2,0,0]=4 15724 B11R1.99 C=COCCOCCC1CC1 7a_100000754188_100000039644 [1,0,0,1,0,0|2,0,0]=4 15725 B11R1.99 C=COCCOCCC1CO1 34a_100000033082_100000732470 [1,0,0,1,0,0|2,0,0]=4 15726 B11R1.99 C=COCCOCC[C@@H]1CO1 34a_100009820653_100000039644 [1,0,0,1,0,0|2,0,0]=4 15727 B11R1.99 C=COCCSCCC1CC1 62a_100000039644_100000764125 [1,0,0,1,0,0|2,0,0]=4 15728 B11R1.99 C=COCCSCCC1CC1 62a_100000764125_100000039644 [1,0,0,1,0,0|2,0,0]=4 15729 B11R1.99 C=COCCSCCC1CO1 62a_100000039644_100000732470 [1,0,0,1,0,0|2,0,0]=4 15730 B11R1.99 C=COCCSCCC1CO1 62a_100000732470_100000039644 [1,0,0,1,0,0|2,0,0]=4 15731 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [1,0,0,1,0,0|1,0,1]=4 15732 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 15733 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 15734 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,1]=4 15735 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,1]=4 15736 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [1,0,0,1,0,0|1,0,1]=4 15737 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [1,0,0,1,0,0|1,0,1]=4 15738 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [1,0,0,1,0,0|1,0,1]=4 15739 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [1,0,0,1,0,0|1,0,1]=4 15740 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [1,0,0,1,0,0|1,0,1]=4 15741 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 15742 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 15743 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [1,0,0,1,0,0|1,0,1]=4 15744 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [1,0,0,1,0,0|1,0,1]=4 15745 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [1,0,0,1,0,0|1,0,1]=4 15746 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [1,0,0,1,0,0|1,0,1]=4 15747 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [1,0,0,1,0,0|1,0,1]=4 15748 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 15749 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 15750 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [1,0,0,1,0,0|1,0,1]=4 15751 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [1,0,0,1,0,0|1,0,1]=4 15752 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 15753 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 15754 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [1,0,0,1,0,0|2,0,0]=4 15755 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 15756 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 15757 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [1,0,0,1,0,0|2,0,0]=4 15758 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [1,0,0,1,0,0|2,0,0]=4 15759 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [1,0,0,1,0,0|2,0,0]=4 15760 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [1,0,0,1,0,0|2,0,0]=4 15761 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [1,0,0,1,0,0|2,0,0]=4 15762 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [1,0,0,1,0,0|2,0,0]=4 15763 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [1,0,0,1,0,0|2,0,0]=4 15764 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [1,0,0,1,0,0|2,0,0]=4 15765 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [1,0,0,1,0,0|2,0,0]=4 15766 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [1,0,0,1,0,0|2,0,0]=4 15767 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [1,0,0,1,0,0|2,0,0]=4 15768 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [1,0,0,1,0,0|2,0,0]=4 15769 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [1,0,0,1,0,0|2,0,0]=4 15770 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [1,0,0,1,0,0|2,0,0]=4 15771 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [1,0,0,1,0,0|2,0,0]=4 15772 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [1,0,0,1,0,0|2,0,0]=4 15773 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 15774 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 15775 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [1,0,0,1,0,0|2,0,0]=4 15776 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [1,0,0,1,0,0|2,0,0]=4 15777 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 15778 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 15779 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [1,0,0,1,0,0|2,0,0]=4 15780 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [1,0,0,1,0,0|2,0,0]=4 15781 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [1,0,0,1,0,0|2,0,0]=4 15782 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [1,0,0,1,0,0|2,0,0]=4 15783 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [1,0,0,1,0,0|2,0,0]=4 15784 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [1,0,0,1,0,0|2,0,0]=4 15785 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [1,0,0,1,0,0|2,0,0]=4 15786 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [1,0,0,1,0,0|2,0,0]=4 15787 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [1,0,0,1,0,0|2,0,0]=4 15788 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [1,0,0,1,0,0|2,0,0]=4 15789 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [1,0,0,1,0,0|2,0,0]=4 15790 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [1,0,0,1,0,0|2,0,0]=4 15791 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [1,0,0,1,0,0|2,0,0]=4 15792 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [1,0,0,1,0,0|2,0,0]=4 15793 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [1,0,0,1,0,0|1,0,1]=4 15794 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|1,0,1]=4 15795 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [1,0,0,1,0,0|1,0,1]=4 15796 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 15797 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 15798 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [1,0,0,1,0,0|1,0,1]=4 15799 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 15800 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 15801 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [1,0,0,1,0,0|2,0,0]=4 15802 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 15803 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|1,0,1]=4 15804 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [1,0,0,1,0,0|2,0,0]=4 15805 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [1,0,0,1,0,0|1,0,1]=4 15806 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [1,0,0,1,0,0|1,0,1]=4 15807 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 15808 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [1,0,0,1,0,0|2,0,0]=4 15809 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [1,0,0,1,0,0|2,0,0]=4 15810 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [1,0,0,1,0,0|2,0,0]=4 15811 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [1,0,0,1,0,0|2,0,0]=4 15812 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [1,0,0,1,0,0|2,0,0]=4 15813 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 15814 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 15815 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [1,0,0,1,0,0|1,0,1]=4 15816 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 15817 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 15818 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [1,0,0,1,0,0|1,0,1]=4 15819 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [1,0,0,1,0,0|1,0,1]=4 15820 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [1,0,0,1,0,0|2,0,0]=4 15821 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [1,0,0,1,0,0|1,0,1]=4 15822 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [1,0,0,1,0,0|1,0,1]=4 15823 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 15824 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [1,0,0,1,0,0|2,0,0]=4 15825 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [1,0,0,1,0,0|2,0,0]=4 15826 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [1,0,0,1,0,0|2,0,0]=4 15827 B11R1.109 C=CCN1CCC[C@H]1COC 2230a_100020646714_100000210623 [1,0,0,1,0,0|2,0,0]=4 15828 B11R1.109 C=CCN1CCC[C@H]1COC 269982a_100020646714_100000210623 [1,0,0,1,0,0|2,0,0]=4 15829 B11R1.109 C=CCN1CCC[C@H]1COC 34a_100020646714_100015514636 [1,0,0,1,0,0|2,0,0]=4 15830 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|1,0,0]=3 15831 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|1,0,0]=3 15832 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|1,0,0]=3 15833 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|1,0,0]=3 15834 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 15835 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 15836 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [1,0,0,1,0,0|2,0,0]=4 15837 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|2,0,0]=4 15838 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|2,0,0]=4 15839 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|2,0,0]=4 15840 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15841 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15842 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 15843 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 15844 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 15845 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [1,0,0,1,0,0|1,0,0]=3 15846 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [1,0,0,1,0,0|1,0,0]=3 15847 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [1,0,0,1,0,0|1,0,0]=3 15848 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [1,0,0,1,0,0|1,0,0]=3 15849 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [1,0,0,1,0,0|1,0,0]=3 15850 B11R1.180 C=CCCCN1CCSC1C 2230a_200011216479_100011713584 [1,0,0,1,0,0|2,0,0]=4 15851 B11R1.180 C=CCCCN1CCSC1C 269982a_200011216479_100000757094 [1,0,0,1,0,0|2,0,0]=4 15852 B11R1.180 C=CCCCN1CCSC1C 34a_200011216479_100000757094 [1,0,0,1,0,0|2,0,0]=4 15853 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [1,0,0,1,0,0|1,0,0]=3 15854 B11R1.180 C=CCCNC1CCOC1C 270004a_100015191253_100000691750 [1,0,0,1,0,0|2,0,0]=4 15855 B11R1.180 C=CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000754431 [1,0,0,1,0,0|2,0,0]=4 15856 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [1,0,0,1,0,0|1,0,0]=3 15857 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [1,0,0,1,0,0|1,0,0]=3 15858 B11R1.180 C=CCCOC1COCC1O 34a_100011205117_200000725654 [1,0,0,1,0,0|2,0,0]=4 15859 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000754431 [1,0,0,1,0,0|2,0,0]=4 15860 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000754431 [1,0,0,1,0,0|2,0,0]=4 15861 B11R1.180 C=CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000754431 [1,0,0,1,0,0|2,0,0]=4 15862 B11R1.180 C=CCCSC1COCC1O 62a_100000754431_200000725654 [1,0,0,1,0,0|2,0,0]=4 15863 B11R1.180 C=CCCSC1COCC1O 62a_200000725654_100000754431 [1,0,0,1,0,0|2,0,0]=4 15864 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [1,0,0,1,0,0|1,0,0]=3 15865 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [1,0,0,1,0,0|1,0,0]=3 15866 B11R1.180 C=CCOCC1CCCN1C 34a_100000743107_100015514636 [1,0,0,1,0,0|2,0,0]=4 15867 B11R1.180 C=COCCN1CCC[C@@H]1C 2230a_100020605311_100000039644 [1,0,0,1,0,0|2,0,0]=4 15868 B11R1.180 C=COCCN1CCC[C@@H]1C 269982a_100020605311_100000039644 [1,0,0,1,0,0|2,0,0]=4 15869 B11R1.180 C=COCCN1CCC[C@H]1C 2230a_100015189458_100000039644 [1,0,0,1,0,0|2,0,0]=4 15870 B11R1.180 C=COCCN1CCC[C@H]1C 269982a_100015189458_100000039644 [1,0,0,1,0,0|2,0,0]=4 15871 B11R1.180 C=COCCN1CCC[C@H]1C 34a_100015189458_100000039644 [1,0,0,1,0,0|2,0,0]=4 15872 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [1,0,0,1,0,0|1,0,1]=4 15873 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,1]=4 15874 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,1]=4 15875 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|2,0,0]=4 15876 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|2,0,0]=4 15877 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|2,0,0]=4 15878 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|2,0,0]=4 15879 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|2,0,0]=4 15880 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|2,0,0]=4 15881 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|2,0,0]=4 15882 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [1,0,0,1,0,0|1,0,1]=4 15883 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [1,0,0,1,0,0|1,0,1]=4 15884 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|2,0,0]=4 15885 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|2,0,0]=4 15886 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 15887 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 15888 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [1,0,0,1,0,0|1,0,1]=4 15889 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|2,0,0]=4 15890 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|2,0,0]=4 15891 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 15892 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 15893 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [1,0,0,1,0,0|2,0,0]=4 15894 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,1,0,0|2,0,0]=4 15895 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,1,0,0|2,0,0]=4 15896 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,1,0,0|2,0,0]=4 15897 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [1,0,0,1,0,0|2,0,0]=4 15898 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [1,0,0,1,0,0|2,0,0]=4 15899 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [1,0,0,1,0,0|2,0,0]=4 15900 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [1,0,0,1,0,0|2,0,0]=4 15901 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [1,0,0,1,0,0|2,0,0]=4 15902 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [1,0,0,1,0,0|1,0,0]=3 15903 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [1,0,0,1,0,0|1,0,0]=3 15904 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|2,0,0]=4 15905 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 15906 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 15907 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|2,0,0]=4 15908 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|2,0,0]=4 15909 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|2,0,0]=4 15910 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|2,0,0]=4 15911 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|2,0,0]=4 15912 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|2,0,0]=4 15913 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,1,0,0|2,0,0]=4 15914 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,1,0,0|2,0,0]=4 15915 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,1,0,0|2,0,0]=4 15916 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 15917 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 15918 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,1,0,0|2,0,0]=4 15919 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|1,0,0]=3 15920 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|1,0,0]=3 15921 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|1,0,0]=3 15922 B11R1.203 C=CCCN1CCCOCC1 2230a_100000685342_100000754431 [1,0,0,1,0,0|2,0,0]=4 15923 B11R1.203 C=CCCN1CCCOCC1 269982a_100000685342_100000754431 [1,0,0,1,0,0|2,0,0]=4 15924 B11R1.203 C=CCCN1CCCOCC1 34a_100000685342_100000754431 [1,0,0,1,0,0|2,0,0]=4 15925 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|1,0,0]=3 15926 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|1,0,0]=3 15927 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|1,0,0]=3 15928 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [1,0,0,1,0,0|2,0,0]=4 15929 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|1,0,0]=3 15930 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|1,0,0]=3 15931 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|1,0,0]=3 15932 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|1,0,0]=3 15933 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|1,0,0]=3 15934 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 15935 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 15936 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|2,0,0]=4 15937 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|2,0,0]=4 15938 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|2,0,0]=4 15939 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|2,0,0]=4 15940 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|2,0,0]=4 15941 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|2,0,0]=4 15942 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 15943 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,1]=4 15944 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 15945 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 15946 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,1]=4 15947 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 15948 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,1]=4 15949 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 15950 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 15951 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,1]=4 15952 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,1]=4 15953 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 15954 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 15955 B11R1.232 C=CCCN1CCC1COC 2230a_100015195929_100000754431 [1,0,0,1,0,0|2,0,0]=4 15956 B11R1.232 C=CCCN1CCC1COC 269982a_100015195929_100000754431 [1,0,0,1,0,0|2,0,0]=4 15957 B11R1.232 C=CCCN1CCC1COC 34a_100015195929_100000754431 [1,0,0,1,0,0|2,0,0]=4 15958 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,1]=4 15959 B13R1.6 C=CCCCCN1CCCC(C1)F 2230a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 15960 B13R1.6 C=CCCCCN1CCCC(C1)F 269982a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 15961 B13R1.6 C=CCCCCN1CCCC(C1)F 34a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 15962 B13R1.6 C=CCCCCN1CCCC(C1)O 2230a_100000211013_100011215482 [0,1,0,1,0,0|1,0,0]=3 15963 B13R1.6 C=CCCCCN1CCCC(C1)O 269982a_100000211013_100011215482 [0,1,0,1,0,0|1,0,0]=3 15964 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 15965 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 15966 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 15967 B13R1.6 C=CCCCCN1CCOC(C1)O 2230a_100000688207_100011215482 [0,1,0,1,0,0|2,0,0]=4 15968 B13R1.6 C=CCCCCN1CCOC(C1)O 269982a_100000688207_100011215482 [0,1,0,1,0,0|2,0,0]=4 15969 B13R1.6 C=CCCCNC1CCCC(C1)C 2230a_100011194320_100011713584 [0,1,0,1,0,0|2,0,0]=4 15970 B13R1.6 C=CCCCNC1CCCC(C1)C 270004a_100000700776_100000183594 [0,1,0,1,0,0|2,0,0]=4 15971 B13R1.6 C=CCCCNC1CCCC(C1)C 34a_100011194320_100000757094 [0,1,0,1,0,0|2,0,0]=4 15972 B13R1.6 C=CCCCNC1CCCC(C1)O 2230a_100015190357_100011713584 [0,1,0,1,0,0|1,0,0]=3 15973 B13R1.6 C=CCCCNC1CCCC(C1)O 270004a_100000700776_100012613340 [0,1,0,1,0,0|1,0,0]=3 15974 B13R1.6 C=CCCCOC1CCCC(C1)C 34a_100000211399_100000757094 [0,1,0,1,0,0|2,0,0]=4 15975 B13R1.6 C=CCCNCC1CCCC(C1)O 2230a_100011254705_100000754431 [0,1,0,1,0,0|1,0,0]=3 15976 B13R1.6 C=COCCNC1CCCC(C1)O 2230a_100015190357_100000039644 [0,1,0,1,0,0|2,0,0]=4 15977 B13R1.6 CC1=CC(CCC1)OCCCCF 34a_100011218613_100000729493 [0,1,0,1,0,0|2,0,0]=4 15978 B13R1.6 CC1=CC(CCC1)OCCCCO 34a_100011218613_100011216708 [0,1,0,1,0,0|1,0,0]=3 15979 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,1,0,0|2,0,0]=4 15980 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|1,0,1]=4 15981 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,1,0,1,0,0|2,0,0]=4 15982 B13R1.6 O=CCCCCN1CCCC(C1)O 2230a_100000211013_100000139335 [0,1,0,1,0,0|2,0,0]=4 15983 B13R1.6 O=CCCCCN1CCCC(C1)O 269982a_100000211013_100000139335 [0,1,0,1,0,0|2,0,0]=4 15984 B13R1.6 O=CCCCNC1CCCC(C1)O 2230a_100015190357_200011292268 [0,1,0,1,0,0|2,0,0]=4 15985 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [0,1,0,1,0,0|1,0,1]=4 15986 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [0,1,0,1,0,0|1,0,1]=4 15987 B13R1.42 C=CCC(=O)CCC1OCCCO1 1458a_100000210193_100000764188 [0,1,0,1,0,0|1,0,1]=4 15988 B13R1.42 C=CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210623 [0,1,0,1,0,0|1,0,1]=4 15989 B13R1.42 C=CCC(=O)NCC1CCCCO1 11a_100000174945_100000210193 [0,1,0,1,0,0|1,0,1]=4 15990 B13R1.42 C=CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210193 [0,1,0,1,0,0|1,0,1]=4 15991 B13R1.42 C=CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210193 [0,1,0,1,0,0|1,0,1]=4 15992 B13R1.42 C=CCC(=O)NCC1CCCCO1 527a_100000174945_100000210193 [0,1,0,1,0,0|1,0,1]=4 15993 B13R1.42 C=CCC(C)COC1CCCCC1 34a_100009832082_100000210327 [0,1,0,1,0,0|2,0,0]=4 15994 B13R1.42 C=CCC(C)COC1CCCCC1 7a_100009832082_100000210327 [0,1,0,1,0,0|2,0,0]=4 15995 B13R1.42 C=CCN(C)CCC1CCCCC1 2230a_100000225617_100012355289 [0,1,0,1,0,0|2,0,0]=4 15996 B13R1.42 C=CCN(C)CCC1CCCCC1 269982a_100000225617_100011273959 [0,1,0,1,0,0|2,0,0]=4 15997 B13R1.42 C=CCN(C)CCC1CCCCC1 270004a_100000225617_100011713444 [0,1,0,1,0,0|2,0,0]=4 15998 B13R1.42 C=CCN(C)CCC1CCCCO1 2230a_100015183322_100000210623 [0,1,0,1,0,0|1,0,0]=3 15999 B13R1.42 C=CCN(C)CCC1CCCCO1 269982a_100015183322_100000210623 [0,1,0,1,0,0|1,0,0]=3 16000 B13R1.42 C=CCN(C)CCC1CCCCO1 34a_100015183322_100015514636 [0,1,0,1,0,0|1,0,0]=3 16001 B13R1.42 C=CCN(C)CCC1OCCCO1 2230a_100000225617_100000764188 [0,1,0,1,0,0|2,0,0]=4 16002 B13R1.42 C=CCN(C)CCC1OCCCO1 269982a_100000225617_100000764188 [0,1,0,1,0,0|2,0,0]=4 16003 B13R1.42 C=CC[C@@H](C)OCC1CCCCC1 34a_100000731007_100000211423 [0,1,0,1,0,0|2,0,0]=4 16004 B13R1.42 C=CC[C@@H](C)OCC1CCCCC1 7a_100000731007_100000211423 [0,1,0,1,0,0|2,0,0]=4 16005 B13R1.42 C=CC[C@@H](C)OCC1CCCCO1 34a_100000731007_100000211543 [0,1,0,1,0,0|1,0,0]=3 16006 B13R1.42 C=CC[C@@H](C)OCC1CCCCO1 7a_100000731007_100000211543 [0,1,0,1,0,0|1,0,0]=3 16007 B13R1.42 C=CC[C@@H](N)COC1CCCCC1 34a_100020615467_100000210327 [0,1,0,1,0,0|2,0,0]=4 16008 B13R1.42 CCCC(C)COC1C=CCCC1 34a_100011215024_100011216630 [0,1,0,1,0,0|2,0,0]=4 16009 B13R1.42 CCCC(C)COC1C=CCCC1 7a_100000688023_100000751183 [0,1,0,1,0,0|2,0,0]=4 16010 B13R1.42 CCCC(C)CSC1C=CCCC1 62a_100000751183_100011216630 [0,1,0,1,0,0|2,0,0]=4 16011 B13R1.42 CCCC(C)CSC1C=CCCC1 62a_100011216630_100000751183 [0,1,0,1,0,0|2,0,0]=4 16012 B13R1.42 CN(CC=O)CCC1CCCCO1 2230a_100015183322_200015260668 [0,1,0,1,0,0|2,0,0]=4 16013 B13R1.42 CN(CC=O)CCC1CCCCO1 269982a_100015183322_200015260668 [0,1,0,1,0,0|2,0,0]=4 16014 B13R1.42 CN(CC=O)CCC1CCCCO1 34a_100015183322_200009817547 [0,1,0,1,0,0|2,0,0]=4 16015 B13R1.119 BrCCCCCOCC1CCCO1 7a_100000746331_100000203698 [0,1,0,1,0,0|1,0,1]=4 16016 B13R1.119 C#CCCCCCOC1CCCO1 34a_100000085407_100012094781 [0,1,0,1,0,0|0,0,2]=4 16017 B13R1.119 C#CCCCCNCC1CCCO1 2230a_100000706060_100000203698 [0,1,0,1,0,0|0,0,2]=4 16018 B13R1.119 C#CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100010269958 [0,1,0,1,0,0|0,0,2]=4 16019 B13R1.119 C#CCCCCNC[C@@H]1CCCO1 34a_100020590478_100010269958 [0,1,0,1,0,0|0,0,2]=4 16020 B13R1.119 C#CCCCCOCC1CCCO1 34a_100000210270_100010269958 [0,1,0,1,0,0|0,0,2]=4 16021 B13R1.119 C#CCCCCOCC1CCCO1 7a_100000210270_100010269958 [0,1,0,1,0,0|0,0,2]=4 16022 B13R1.119 C#CCCCCOCC1CCCO1 7a_100000766709_100000203698 [0,1,0,1,0,0|0,0,2]=4 16023 B13R1.119 C#CCCCCSCC1CCCO1 62a_100000203698_100010269958 [0,1,0,1,0,0|0,0,2]=4 16024 B13R1.119 C#CCCCCSCC1CCCO1 62a_100010269958_100000203698 [0,1,0,1,0,0|0,0,2]=4 16025 B13R1.119 C/C=C/CCOCCC1CCCC1 34a_100016278192_100000760354 [0,1,0,1,0,0|2,0,0]=4 16026 B13R1.119 C/C=C/CCOCCC1OCCO1 34a_100016278192_100000740749 [0,1,0,1,0,0|2,0,0]=4 16027 B13R1.119 C/C=C/CNCCCC1CCCC1 34a_100000736752_100102629194 [0,1,0,1,0,0|2,0,0]=4 16028 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100011215328_100102629194 [0,1,0,1,0,0|2,0,0]=4 16029 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100016270725_100011713738 [0,1,0,1,0,0|2,0,0]=4 16030 B13R1.119 C/C=C/COCCCC1CCCC1 7a_100011215328_100102629194 [0,1,0,1,0,0|2,0,0]=4 16031 B13R1.119 C/C=C/COCCCC1OCCO1 34a_100009871617_100102629194 [0,1,0,1,0,0|2,0,0]=4 16032 B13R1.119 C/C=C/COCCCC1OCCO1 34a_100016270725_100009861162 [0,1,0,1,0,0|2,0,0]=4 16033 B13R1.119 C/C=C/COCCCC1OCCO1 7a_100009871617_100102629194 [0,1,0,1,0,0|2,0,0]=4 16034 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100011713738_100102629194 [0,1,0,1,0,0|2,0,0]=4 16035 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100102629194_100011713738 [0,1,0,1,0,0|2,0,0]=4 16036 B13R1.119 C/C=C/CSCCCC1OCCO1 62a_100102629194_100000042513 [0,1,0,1,0,0|2,0,0]=4 16037 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,1,0,1,0,0|1,0,0]=3 16038 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,1,0,1,0,0|1,0,0]=3 16039 B13R1.119 C=CCCCCCCN1CCSC1 2230a_100011215254_100011215473 [0,1,0,1,0,0|1,1,0]=4 16040 B13R1.119 C=CCCCCCCN1CCSC1 269982a_100011215254_100011215473 [0,1,0,1,0,0|1,1,0]=4 16041 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,1,0,1,0,0|1,0,0]=3 16042 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,1,0,1,0,0|1,0,0]=3 16043 B13R1.119 C=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000700193 [0,1,0,1,0,0|1,0,0]=3 16044 B13R1.119 C=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000700193 [0,1,0,1,0,0|1,0,0]=3 16045 B13R1.119 C=CCCCCCN[C@H]1CCOC1 34a_100015188467_100000700193 [0,1,0,1,0,0|1,0,0]=3 16046 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,1,0,1,0,0|1,0,0]=3 16047 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,1,0,1,0,0|1,0,0]=3 16048 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,1,0,1,0,0|1,0,0]=3 16049 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,1,0,1,0,0|1,0,0]=3 16050 B13R1.119 C=CCCCCCOC1CCCO1 34a_100000085407_100000700193 [0,1,0,1,0,0|0,0,0]=2 16051 B13R1.119 C=CCCCCCOC1CCOC1 34a_100011216702_100000690089 [0,1,0,1,0,0|1,0,0]=3 16052 B13R1.119 C=CCCCCCOC1CCOC1 7a_100011216702_100000731011 [0,1,0,1,0,0|1,0,0]=3 16053 B13R1.119 C=CCCCCCOC1CCSC1 7a_100011232664_100000700193 [0,1,0,1,0,0|1,1,0]=4 16054 B13R1.119 C=CCCCCCO[C@H]1CCOC1 34a_100000717292_100000700193 [0,1,0,1,0,0|1,0,0]=3 16055 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,1,0,1,0,0|1,0,0]=3 16056 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,1,0,1,0,0|1,0,0]=3 16057 B13R1.119 C=CCCCCCSC1CCOC1 62a_100000700193_100000690089 [0,1,0,1,0,0|1,0,0]=3 16058 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,1,0,1,0,0|1,0,0]=3 16059 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,1,0,1,0,0|1,0,0]=3 16060 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,1,0,1,0,0|1,0,0]=3 16061 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,1,0,1,0,0|1,0,0]=3 16062 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,1,0,1,0,0|1,0,0]=3 16063 B13R1.119 C=CCCCCNCC1CCCO1 2230a_100000703577_100000203698 [0,1,0,1,0,0|0,0,0]=2 16064 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000703577_100000702531 [0,1,0,1,0,0|1,0,0]=3 16065 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000737293_100011215482 [0,1,0,1,0,0|1,0,0]=3 16066 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000703577_100011261433 [0,1,0,1,0,0|1,0,0]=3 16067 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000737293_100011215482 [0,1,0,1,0,0|1,0,0]=3 16068 B13R1.119 C=CCCCCNCC1OCCO1 2230a_100000036311_100011215482 [0,1,0,1,0,0|1,0,0]=3 16069 B13R1.119 C=CCCCCNCC1OCCO1 2230a_100000703577_100000755774 [0,1,0,1,0,0|1,0,0]=3 16070 B13R1.119 C=CCCCCNCC1OCCO1 34a_100000036311_100011215482 [0,1,0,1,0,0|1,0,0]=3 16071 B13R1.119 C=CCCCCNCC1OCCO1 34a_100000703577_100000755774 [0,1,0,1,0,0|1,0,0]=3 16072 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215482 [0,1,0,1,0,0|0,0,0]=2 16073 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215482 [0,1,0,1,0,0|0,0,0]=2 16074 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,1,0,1,0,0|1,0,0]=3 16075 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,1,0,1,0,0|1,0,0]=3 16076 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,1,0,1,0,0|1,0,0]=3 16077 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,1,0,1,0,0|1,0,0]=3 16078 B13R1.119 C=CCCCCOCC1CCCO1 34a_100000210270_100011215482 [0,1,0,1,0,0|0,0,0]=2 16079 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000210270_100011215482 [0,1,0,1,0,0|0,0,0]=2 16080 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000766645_100000203698 [0,1,0,1,0,0|0,0,0]=2 16081 B13R1.119 C=CCCCCOCC1CCNC1 34a_100000748654_100011215482 [0,1,0,1,0,0|2,0,0]=4 16082 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000740260_100011215482 [0,1,0,1,0,0|1,0,0]=3 16083 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000766645_100011261433 [0,1,0,1,0,0|1,0,0]=3 16084 B13R1.119 C=CCCCCOCC1CCOC1 7a_100000766645_100000702531 [0,1,0,1,0,0|1,0,0]=3 16085 B13R1.119 C=CCCCCOCC1COCO1 34a_100011216627_100011215482 [0,1,0,1,0,0|1,0,0]=3 16086 B13R1.119 C=CCCCCOCC1OCCO1 34a_100000087154_100011215482 [0,1,0,1,0,0|1,0,0]=3 16087 B13R1.119 C=CCCCCOCC1OCCO1 34a_100000766645_100000755774 [0,1,0,1,0,0|1,0,0]=3 16088 B13R1.119 C=CCCCCOCC1OCCO1 7a_100000766645_100000755774 [0,1,0,1,0,0|1,0,0]=3 16089 B13R1.119 C=CCCCCOC[C@H]1CCCN1 34a_100000745186_100011215482 [0,1,0,1,0,0|1,0,0]=3 16090 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,1,0,1,0,0|1,0,0]=3 16091 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,1,0,1,0,0|1,0,0]=3 16092 B13R1.119 C=CCCCCSCC1CCCO1 62a_100000203698_100011215482 [0,1,0,1,0,0|0,0,0]=2 16093 B13R1.119 C=CCCCCSCC1CCCO1 62a_100011215482_100000203698 [0,1,0,1,0,0|0,0,0]=2 16094 B13R1.119 C=CCCCCSCC1CCOC1 62a_100000702531_100011215482 [0,1,0,1,0,0|1,0,0]=3 16095 B13R1.119 C=CCCCCSCC1CCOC1 62a_100011215482_100000702531 [0,1,0,1,0,0|1,0,0]=3 16096 B13R1.119 C=CCCCCSCC1OCCO1 62a_100000755774_100011215482 [0,1,0,1,0,0|1,0,0]=3 16097 B13R1.119 C=CCCCCSCC1OCCO1 62a_100011215482_100000755774 [0,1,0,1,0,0|1,0,0]=3 16098 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,1,0,1,0,0|1,0,0]=3 16099 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,1,0,1,0,0|1,0,0]=3 16100 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,1,0,1,0,0|1,0,0]=3 16101 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,1,0,1,0,0|1,0,0]=3 16102 B13R1.119 C=CCCCNCCC1OCCO1 2230a_100000034215_100011713584 [0,1,0,1,0,0|1,0,0]=3 16103 B13R1.119 C=CCCCNCCC1OCCO1 2230a_100000700776_100000740749 [0,1,0,1,0,0|1,0,0]=3 16104 B13R1.119 C=CCCCNCCC1OCCO1 34a_100000034215_100000757094 [0,1,0,1,0,0|1,0,0]=3 16105 B13R1.119 C=CCCCNCCC1OCCO1 34a_100000700776_100000740749 [0,1,0,1,0,0|1,0,0]=3 16106 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,1,0,1,0,0|1,0,0]=3 16107 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,1,0,1,0,0|1,0,0]=3 16108 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,1,0,1,0,0|1,0,0]=3 16109 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,1,0,1,0,0|1,0,0]=3 16110 B13R1.119 C=CCCCOCCC1CCNC1 34a_100016987287_100000757094 [0,1,0,1,0,0|2,0,0]=4 16111 B13R1.119 C=CCCCOCCC1CCOC1 34a_100011879284_100000757094 [0,1,0,1,0,0|1,0,0]=3 16112 B13R1.119 C=CCCCOCCC1OCCO1 34a_100000758997_100000740749 [0,1,0,1,0,0|1,0,0]=3 16113 B13R1.119 C=CCCCOCCC1OCCO1 7a_100000758997_100000740749 [0,1,0,1,0,0|1,0,0]=3 16114 B13R1.119 C=CCCCOCCN1CCCC1 7a_100000758997_100000004467 [0,1,0,1,0,0|2,0,0]=4 16115 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,1,0,1,0,0|1,0,0]=3 16116 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,1,0,1,0,0|1,0,0]=3 16117 B13R1.119 C=CCCCSCCC1OCCO1 62a_100011713584_100000740749 [0,1,0,1,0,0|1,0,0]=3 16118 B13R1.119 C=CCCCSCCN1CCCC1 62a_100000700749_100000757094 [0,1,0,1,0,0|2,0,0]=4 16119 B13R1.119 C=CCCCSCCN1CCCC1 62a_100011713584_100000004467 [0,1,0,1,0,0|2,0,0]=4 16120 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,1,0,1,0,0|1,0,0]=3 16121 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,1,0,1,0,0|1,0,0]=3 16122 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,1,0,1,0,0|1,0,0]=3 16123 B13R1.119 C=CCCNCCCC1OCCO1 2230a_100015191253_100000042513 [0,1,0,1,0,0|1,0,0]=3 16124 B13R1.119 C=CCCNCCCN1CCCC1 2230a_100015191253_100011445909 [0,1,0,1,0,0|2,0,0]=4 16125 B13R1.119 C=CCCNCCOC1CCCC1 34a_100000741755_100000754431 [0,1,0,1,0,0|2,0,0]=4 16126 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,1,0,1,0,0|1,0,0]=3 16127 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,1,0,1,0,0|1,0,0]=3 16128 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,1,0,1,0,0|1,0,0]=3 16129 B13R1.119 C=CCCOCCCC1OCCO1 34a_100009871617_100000754431 [0,1,0,1,0,0|1,0,0]=3 16130 B13R1.119 C=CCCOCCCC1OCCO1 34a_100011205117_100009861162 [0,1,0,1,0,0|1,0,0]=3 16131 B13R1.119 C=CCCOCCCC1OCCO1 7a_100009871617_100000754431 [0,1,0,1,0,0|1,0,0]=3 16132 B13R1.119 C=CCCOCCCN1CCCC1 34a_100011205117_100016991639 [0,1,0,1,0,0|2,0,0]=4 16133 B13R1.119 C=CCCOCCNC1CCCC1 34a_200000200444_100000754431 [0,1,0,1,0,0|2,0,0]=4 16134 B13R1.119 C=CCCOCCOC1CCCC1 34a_100000738311_100000754431 [0,1,0,1,0,0|2,0,0]=4 16135 B13R1.119 C=CCCOCCOC1CCCC1 7a_100000738311_100000754431 [0,1,0,1,0,0|2,0,0]=4 16136 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,1,0,1,0,0|1,0,0]=3 16137 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,1,0,1,0,0|1,0,0]=3 16138 B13R1.119 C=CCCSCCCC1OCCO1 62a_100000754431_100000042513 [0,1,0,1,0,0|1,0,0]=3 16139 B13R1.119 C=CCCSCCCN1CCCC1 62a_100000754431_100011445909 [0,1,0,1,0,0|2,0,0]=4 16140 B13R1.119 C=CCCSCCCN1CCCC1 62a_100016991639_100000754431 [0,1,0,1,0,0|2,0,0]=4 16141 B13R1.119 C=CCNCCCCC1OCCO1 2230a_100020586998_100000034956 [0,1,0,1,0,0|1,0,0]=3 16142 B13R1.119 C=CCNCCCOC1CCCC1 34a_100000747560_100015514636 [0,1,0,1,0,0|2,0,0]=4 16143 B13R1.119 C=CCOCCCCC1OCCO1 34a_200000210373_200009813554 [0,1,0,1,0,0|1,0,0]=3 16144 B13R1.119 C=CCOCCOCC1CCCC1 34a_100000037705_100000740388 [0,1,0,1,0,0|2,0,0]=4 16145 B13R1.119 C=CCOCCOCC1CCCC1 7a_100000037705_100000740388 [0,1,0,1,0,0|2,0,0]=4 16146 B13R1.119 C=CCOCCOCC1CCCO1 7a_100000037705_100000203698 [0,1,0,1,0,0|1,0,0]=3 16147 B13R1.119 C=CCOCCOCC1CCOC1 34a_100000037705_100011261433 [0,1,0,1,0,0|2,0,0]=4 16148 B13R1.119 C=CCOCCOCC1CCOC1 7a_100000037705_100000702531 [0,1,0,1,0,0|2,0,0]=4 16149 B13R1.119 C=CCOCCOCC1OCCO1 34a_100000037705_100000755774 [0,1,0,1,0,0|2,0,0]=4 16150 B13R1.119 C=CCOCCOCC1OCCO1 7a_100000037705_100000755774 [0,1,0,1,0,0|2,0,0]=4 16151 B13R1.119 C=CCSCCCCC1OCCO1 62a_100000210623_100000034956 [0,1,0,1,0,0|1,0,0]=3 16152 B13R1.119 C=COCCCCOC1CCCC1 34a_100000031558_100000179811 [0,1,0,1,0,0|2,0,0]=4 16153 B13R1.119 C=COCCCCOC1CCCC1 7a_100000031558_100000179811 [0,1,0,1,0,0|2,0,0]=4 16154 B13R1.119 C=COCCCCOC1CCOC1 34a_100000031558_100000690089 [0,1,0,1,0,0|2,0,0]=4 16155 B13R1.119 C=COCCCCOC1CCOC1 7a_100000031558_100000731011 [0,1,0,1,0,0|2,0,0]=4 16156 B13R1.119 C=COCCCNCC1CCCC1 2230a_100000210767_100000740388 [0,1,0,1,0,0|2,0,0]=4 16157 B13R1.119 C=COCCCNCC1CCCC1 269862a_100000210767_100000746403 [0,1,0,1,0,0|2,0,0]=4 16158 B13R1.119 C=COCCCNCC1CCCC1 34a_100000210767_100000740388 [0,1,0,1,0,0|2,0,0]=4 16159 B13R1.119 C=COCCCNCC1CCCO1 2230a_100000210767_100000203698 [0,1,0,1,0,0|1,0,0]=3 16160 B13R1.119 C=COCCCNCC1CCOC1 2230a_100000210767_100000702531 [0,1,0,1,0,0|2,0,0]=4 16161 B13R1.119 C=COCCCNCC1CCOC1 34a_100000210767_100011261433 [0,1,0,1,0,0|2,0,0]=4 16162 B13R1.119 C=COCCCNCC1OCCO1 2230a_100000210767_100000755774 [0,1,0,1,0,0|2,0,0]=4 16163 B13R1.119 C=COCCCNCC1OCCO1 34a_100000210767_100000755774 [0,1,0,1,0,0|2,0,0]=4 16164 B13R1.119 C=COCCNCCC1CCCC1 2230a_100000739158_100000039644 [0,1,0,1,0,0|2,0,0]=4 16165 B13R1.119 C=COCCNCCC1CCCC1 34a_100000739158_100000039644 [0,1,0,1,0,0|2,0,0]=4 16166 B13R1.119 C=COCCNCCC1OCCO1 2230a_100000034215_100000039644 [0,1,0,1,0,0|2,0,0]=4 16167 B13R1.119 C=COCCNCCC1OCCO1 34a_100000034215_100000039644 [0,1,0,1,0,0|2,0,0]=4 16168 B13R1.119 C=COCCOCCC1CCCC1 34a_100000033082_100000760354 [0,1,0,1,0,0|2,0,0]=4 16169 B13R1.119 C=COCCOCCC1CCCC1 34a_100000749090_100000039644 [0,1,0,1,0,0|2,0,0]=4 16170 B13R1.119 C=COCCOCCC1CCCC1 7a_100000749090_100000039644 [0,1,0,1,0,0|2,0,0]=4 16171 B13R1.119 C=COCCOCCC1CCOC1 34a_100011879284_100000039644 [0,1,0,1,0,0|2,0,0]=4 16172 B13R1.119 C=COCCOCCC1OCCO1 34a_100000033082_100000740749 [0,1,0,1,0,0|2,0,0]=4 16173 B13R1.119 C=COCCSCCC1CCCC1 62a_100000039644_100000760354 [0,1,0,1,0,0|2,0,0]=4 16174 B13R1.119 C=COCCSCCC1CCCC1 62a_100000760354_100000039644 [0,1,0,1,0,0|2,0,0]=4 16175 B13R1.119 C=COCCSCCC1OCCO1 62a_100000039644_100000740749 [0,1,0,1,0,0|2,0,0]=4 16176 B13R1.119 CC=CCCCOCC1CCCC1 34a_100020645299_100000740388 [0,1,0,1,0,0|2,0,0]=4 16177 B13R1.119 CC=CCCCOCC1OCCO1 34a_100020645299_100000755774 [0,1,0,1,0,0|2,0,0]=4 16178 B13R1.119 CC=CCNCCCC1CCCC1 2230a_100000736752_100000070051 [0,1,0,1,0,0|2,0,0]=4 16179 B13R1.119 CC=CCNCCCC1CCCC1 34a_100000736752_100000070051 [0,1,0,1,0,0|2,0,0]=4 16180 B13R1.119 CC=CCOCCCC1CCCC1 34a_100011215328_100000070051 [0,1,0,1,0,0|2,0,0]=4 16181 B13R1.119 CC=CCOCCCC1CCCC1 7a_100011215328_100000070051 [0,1,0,1,0,0|2,0,0]=4 16182 B13R1.119 CC=CCOCCCC1OCCO1 34a_100009871617_100000070051 [0,1,0,1,0,0|2,0,0]=4 16183 B13R1.119 CC=CCOCCCC1OCCO1 7a_100009871617_100000070051 [0,1,0,1,0,0|2,0,0]=4 16184 B13R1.119 CC=CCSCCCC1CCCC1 62a_100000070051_100011713738 [0,1,0,1,0,0|2,0,0]=4 16185 B13R1.119 CC=CCSCCCC1CCCC1 62a_100011713738_100000070051 [0,1,0,1,0,0|2,0,0]=4 16186 B13R1.119 CC=CCSCCCC1OCCO1 62a_100000070051_100000042513 [0,1,0,1,0,0|2,0,0]=4 16187 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [0,1,0,1,0,0|2,0,0]=4 16188 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [0,1,0,1,0,0|2,0,0]=4 16189 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,1,0,1,0,0|0,0,2]=4 16190 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,1,0,1,0,0|0,0,2]=4 16191 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 16192 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 16193 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [0,1,0,1,0,0|2,0,0]=4 16194 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 16195 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,1,0,1,0,0|0,0,2]=4 16196 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 16197 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,1,0,1,0,0|0,0,2]=4 16198 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,1,0,1,0,0|0,0,2]=4 16199 B13R1.119 COCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000730899 [0,1,0,1,0,0|1,0,1]=4 16200 B13R1.119 COCCCCNC[C@@H]1CCCO1 34a_100020590478_100000755781 [0,1,0,1,0,0|1,0,1]=4 16201 B13R1.119 COCCCCOCC1CCCO1 34a_100000210270_100000755781 [0,1,0,1,0,0|1,0,1]=4 16202 B13R1.119 COCCCCOCC1CCCO1 7a_100000210270_100000730899 [0,1,0,1,0,0|1,0,1]=4 16203 B13R1.119 COCCCCSCC1CCCO1 62a_100000203698_100000730899 [0,1,0,1,0,0|1,0,1]=4 16204 B13R1.119 COCCCCSCC1CCCO1 62a_100000730899_100000203698 [0,1,0,1,0,0|1,0,1]=4 16205 B13R1.119 CSCCCCOCC1CCCO1 7a_100011217163_100000203698 [0,1,0,1,0,0|1,0,1]=4 16206 B13R1.119 ClCCCCCOCC1CCCO1 7a_100000746330_100000203698 [0,1,0,1,0,0|1,0,1]=4 16207 B13R1.119 FCCCCCCNC1CC=CC1 2230a_100015188752_100015922095 [0,1,0,1,0,0|2,0,0]=4 16208 B13R1.119 FCCCCCCOC1CCCO1 34a_100000085407_100015922095 [0,1,0,1,0,0|1,0,1]=4 16209 B13R1.119 FCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729378 [0,1,0,1,0,0|1,0,1]=4 16210 B13R1.119 FCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729378 [0,1,0,1,0,0|1,0,1]=4 16211 B13R1.119 FCCCCCOCC1CC=CC1 34a_100000688395_100000729378 [0,1,0,1,0,0|2,0,0]=4 16212 B13R1.119 FCCCCCOCC1CCCO1 34a_100000210270_100000729378 [0,1,0,1,0,0|1,0,1]=4 16213 B13R1.119 FCCCCCOCC1CCCO1 7a_100000210270_100000729378 [0,1,0,1,0,0|1,0,1]=4 16214 B13R1.119 FCCCCCSCC1CCCO1 62a_100000203698_100000729378 [0,1,0,1,0,0|1,0,1]=4 16215 B13R1.119 FCCCCCSCC1CCCO1 62a_100000729378_100000203698 [0,1,0,1,0,0|1,0,1]=4 16216 B13R1.119 ICCCCCOCC1CCCO1 7a_200012148887_100000203698 [0,1,0,1,0,0|1,0,1]=4 16217 B13R1.119 N#CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000211819 [0,1,0,1,0,0|1,0,1]=4 16218 B13R1.119 N#CCCCCOCC1CCCO1 7a_100000210270_100000211819 [0,1,0,1,0,0|1,0,1]=4 16219 B13R1.119 N#CCCCCSCC1CCCO1 62a_100000203698_100000211819 [0,1,0,1,0,0|1,0,1]=4 16220 B13R1.119 N#CCCCCSCC1CCCO1 62a_100011219923_100000203698 [0,1,0,1,0,0|1,0,1]=4 16221 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,1,0,1,0,0|2,0,0]=4 16222 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [0,1,0,1,0,0|2,0,0]=4 16223 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [0,1,0,1,0,0|2,0,0]=4 16224 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,1,0,1,0,0|2,0,0]=4 16225 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,1,0,1,0,0|2,0,0]=4 16226 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,1,0,1,0,0|2,0,0]=4 16227 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [0,1,0,1,0,0|2,0,0]=4 16228 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,1,0,1,0,0|2,0,0]=4 16229 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [0,1,0,1,0,0|2,0,0]=4 16230 B13R1.119 O=CCCCCNCC1OCCO1 2230a_100000036311_100000139335 [0,1,0,1,0,0|2,0,0]=4 16231 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,1,0,1,0,0|1,0,0]=3 16232 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,1,0,1,0,0|2,0,0]=4 16233 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,1,0,1,0,0|1,0,0]=3 16234 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,1,0,1,0,0|2,0,0]=4 16235 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,1,0,1,0,0|2,0,0]=4 16236 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,1,0,1,0,0|1,0,0]=3 16237 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,1,0,1,0,0|1,0,0]=3 16238 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [0,1,0,1,0,0|2,0,0]=4 16239 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [0,1,0,1,0,0|2,0,0]=4 16240 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000139335_100000755774 [0,1,0,1,0,0|2,0,0]=4 16241 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000755774_100000139335 [0,1,0,1,0,0|2,0,0]=4 16242 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,1,0,1,0,0|2,0,0]=4 16243 B13R1.119 O=CCCCNCCC1OCCO1 2230a_100000034215_200011292268 [0,1,0,1,0,0|2,0,0]=4 16244 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,1,0,1,0,0|2,0,0]=4 16245 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,1,0,1,0,0|2,0,0]=4 16246 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,1,0,1,0,0|2,0,0]=4 16247 B13R1.119 O=CCCCSCCC1OCCO1 62a_200011292268_100000740749 [0,1,0,1,0,0|2,0,0]=4 16248 B13R1.119 O=CCSCCCCC1OCCO1 62a_200015260668_100000034956 [0,1,0,1,0,0|2,0,0]=4 16249 B13R1.119 OCCCCCCCN1CC=CC1 269982a_100015195280_100000760002 [0,1,0,1,0,0|1,0,0]=3 16250 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 16251 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 16252 B13R1.119 OCCCCCCCN1CCSC1 2230a_100011215254_100000760002 [0,1,0,1,0,0|1,0,1]=4 16253 B13R1.119 OCCCCCCCN1CCSC1 269982a_100011215254_100000760002 [0,1,0,1,0,0|1,0,1]=4 16254 B13R1.119 OCCCCCCNC1CC=CC1 2230a_100015188752_100000766143 [0,1,0,1,0,0|1,0,0]=3 16255 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 16256 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 16257 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [0,1,0,1,0,0|0,0,2]=4 16258 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 16259 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 16260 B13R1.119 OCCCCCCNC1CCOC1 2230a_100000686447_100000731011 [0,1,0,1,0,0|1,0,1]=4 16261 B13R1.119 OCCCCCCNC1CCOC1 270004a_100000686447_100000752484 [0,1,0,1,0,0|1,0,1]=4 16262 B13R1.119 OCCCCCCNC1CCOC1 34a_100000686447_100000690089 [0,1,0,1,0,0|1,0,1]=4 16263 B13R1.119 OCCCCCCNC1CCSC1 270004a_100000686447_100000212027 [0,1,0,1,0,0|1,0,1]=4 16264 B13R1.119 OCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000766143 [0,1,0,1,0,0|1,0,1]=4 16265 B13R1.119 OCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000766143 [0,1,0,1,0,0|1,0,1]=4 16266 B13R1.119 OCCCCCCN[C@H]1CCOC1 34a_100015188467_100000766143 [0,1,0,1,0,0|1,0,1]=4 16267 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 16268 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 16269 B13R1.119 OCCCCCCOC1CCCO1 34a_100000085407_100000766143 [0,1,0,1,0,0|1,0,1]=4 16270 B13R1.119 OCCCCCCOC1CCSC1 7a_100011232664_100000766143 [0,1,0,1,0,0|1,0,1]=4 16271 B13R1.119 OCCCCCCO[C@H]1CCOC1 34a_100000717292_100000766143 [0,1,0,1,0,0|1,0,1]=4 16272 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [0,1,0,1,0,0|0,0,2]=4 16273 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [0,1,0,1,0,0|0,0,2]=4 16274 B13R1.119 OCCCCCCSC1CCOC1 62a_100000766143_100000690089 [0,1,0,1,0,0|1,0,1]=4 16275 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 16276 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 16277 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [0,1,0,1,0,0|0,0,2]=4 16278 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 16279 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 16280 B13R1.119 OCCCCCNCC1CCCO1 2230a_100000762737_100000203698 [0,1,0,1,0,0|1,0,1]=4 16281 B13R1.119 OCCCCCNCC1CCOC1 2230a_100000737293_100000746330 [0,1,0,1,0,0|1,0,1]=4 16282 B13R1.119 OCCCCCNCC1CCOC1 2230a_100000762737_100000702531 [0,1,0,1,0,0|1,0,1]=4 16283 B13R1.119 OCCCCCNCC1CCOC1 34a_100000737293_100000746330 [0,1,0,1,0,0|1,0,1]=4 16284 B13R1.119 OCCCCCNCC1CCOC1 34a_100000762737_100011261433 [0,1,0,1,0,0|1,0,1]=4 16285 B13R1.119 OCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000746330 [0,1,0,1,0,0|1,0,1]=4 16286 B13R1.119 OCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000746330 [0,1,0,1,0,0|1,0,1]=4 16287 B13R1.119 OCCCCCOCC1CC=CC1 34a_100000688395_100000746330 [0,1,0,1,0,0|1,0,0]=3 16288 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 16289 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 16290 B13R1.119 OCCCCCOCC1CCCO1 34a_100000210270_100000746330 [0,1,0,1,0,0|1,0,1]=4 16291 B13R1.119 OCCCCCOCC1CCCO1 7a_100000210270_100000746330 [0,1,0,1,0,0|1,0,1]=4 16292 B13R1.119 OCCCCCOCC1CCNC1 34a_100000748654_100000746330 [0,1,0,1,0,0|1,0,1]=4 16293 B13R1.119 OCCCCCOCC1CCOC1 34a_100000740260_100000746330 [0,1,0,1,0,0|1,0,1]=4 16294 B13R1.119 OCCCCCOC[C@H]1CCCN1 34a_100000745186_100000746330 [0,1,0,1,0,0|1,0,1]=4 16295 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [0,1,0,1,0,0|0,0,2]=4 16296 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [0,1,0,1,0,0|0,0,2]=4 16297 B13R1.119 OCCCCCSCC1CCCO1 62a_100000203698_100000746330 [0,1,0,1,0,0|1,0,1]=4 16298 B13R1.119 OCCCCCSCC1CCCO1 62a_100000746330_100000203698 [0,1,0,1,0,0|1,0,1]=4 16299 B13R1.119 OCCCCCSCC1CCOC1 62a_100000702531_100000746330 [0,1,0,1,0,0|1,0,1]=4 16300 B13R1.119 OCCCCCSCC1CCOC1 62a_100000746330_100000702531 [0,1,0,1,0,0|1,0,1]=4 16301 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [0,1,0,1,0,0|0,0,2]=4 16302 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 16303 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [0,1,0,1,0,0|0,0,2]=4 16304 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 16305 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [0,1,0,1,0,0|0,0,2]=4 16306 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [0,1,0,1,0,0|0,0,2]=4 16307 B13R1.119 OCCCCOCCC1CCNC1 34a_100016987287_100011216708 [0,1,0,1,0,0|1,0,1]=4 16308 B13R1.119 OCCCCOCCC1CCOC1 34a_100011879284_100011216708 [0,1,0,1,0,0|1,0,1]=4 16309 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [0,1,0,1,0,0|0,0,2]=4 16310 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [0,1,0,1,0,0|0,0,2]=4 16311 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 16312 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 16313 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [0,1,0,1,0,0|0,0,2]=4 16314 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [0,1,0,1,0,0|0,0,2]=4 16315 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [0,1,0,1,0,0|0,0,2]=4 16316 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [0,1,0,1,0,0|0,0,2]=4 16317 B13R1.119 OCCOCCOCC1CC=CC1 34a_100000688395_100000692535 [0,1,0,1,0,0|2,0,0]=4 16318 B13R1.208 C=CCN(C)C1CCCC1CCC 270004a_100000225617_100000723119 [0,1,0,1,0,0|2,0,0]=4 16319 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 16320 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 16321 B13R1.362 C=C1CC(C1)CNCCCCCF 2230a_100102567296_100000729378 [0,1,0,1,0,0|2,0,0]=4 16322 B13R1.362 C=C1CC(C1)CNCCCCCF 34a_100102567296_100000729378 [0,1,0,1,0,0|2,0,0]=4 16323 B13R1.362 C=C1CC(C1)CNCCCCCO 2230a_100102567296_100000746330 [0,1,0,1,0,0|1,0,0]=3 16324 B13R1.362 C=C1CC(C1)CNCCCCCO 34a_100102567296_100000746330 [0,1,0,1,0,0|1,0,0]=3 16325 B13R1.362 C=C1CC(C1)CNCCOCCO 2230a_100102567296_100011215305 [0,1,0,1,0,0|2,0,0]=4 16326 B13R1.362 C=C1CC(C1)CNCCOCCO 34a_100102567296_100000692535 [0,1,0,1,0,0|2,0,0]=4 16327 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,1,0,0|2,0,0]=4 16328 B13R1.362 C=C1CC(C1)COCCCCCF 34a_100011011225_100000729378 [0,1,0,1,0,0|2,0,0]=4 16329 B13R1.362 C=C1CC(C1)COCCCCCO 34a_100011011225_100000746330 [0,1,0,1,0,0|1,0,0]=3 16330 B13R1.362 C=C1CC(C1)COCCOCCO 34a_100011011225_100000692535 [0,1,0,1,0,0|2,0,0]=4 16331 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,1,0,0|2,0,0]=4 16332 B13R1.362 C=C1CC(C1)NCCCCCCF 2230a_100132301982_100015922095 [0,1,0,1,0,0|2,0,0]=4 16333 B13R1.362 C=C1CC(C1)NCCCCCCO 2230a_100132301982_100000766143 [0,1,0,1,0,0|1,0,0]=3 16334 B13R1.362 C=CCCCCCCN1CC(C1)C 2230a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 16335 B13R1.362 C=CCCCCCCN1CC(C1)C 269982a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 16336 B13R1.362 C=CCCCCCCN1CC(C1)C 34a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 16337 B13R1.362 C=CCCCCCCN1CC(C1)F 2230a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 16338 B13R1.362 C=CCCCCCCN1CC(C1)F 269982a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 16339 B13R1.362 C=CCCCCCCN1CC(C1)F 34a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 16340 B13R1.362 C=CCCCCCCN1CC(C1)O 269982a_100000749847_100011215473 [0,1,0,1,0,0|1,0,0]=3 16341 B13R1.362 C=CCCCCCNC1CC(C1)F 2230a_100016993743_100000700193 [0,1,0,1,0,0|2,0,0]=4 16342 B13R1.362 C=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000700193 [0,1,0,1,0,0|1,0,0]=3 16343 B13R1.362 C=CCCCCNCC1CC(C1)O 2230a_100016992100_100011215482 [0,1,0,1,0,0|1,0,0]=3 16344 B13R1.362 C=CCCCCOCC1CC(C1)Cl 34a_100009874164_100011215482 [0,1,0,1,0,0|2,0,0]=4 16345 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|1,0,1]=4 16346 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|1,0,1]=4 16347 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|1,0,1]=4 16348 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|1,0,1]=4 16349 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|1,0,1]=4 16350 B13R1.362 O=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000139337 [0,1,0,1,0,0|2,0,0]=4 16351 B13R1.362 O=CCCCCNCC1CC(C1)O 2230a_100016992100_100000139335 [0,1,0,1,0,0|2,0,0]=4 16352 B13R1.369 C=CCCOC1CCC(CC1C)C 34a_100011539931_100000754431 [0,1,0,1,0,0|2,0,0]=4 16353 B13R1.369 C=CCCOC1CCC(CC1C)C 7a_100011539931_100000754431 [0,1,0,1,0,0|2,0,0]=4 16354 B13R1.404 C=CCC(=O)CCCC1CCCC1 1458a_100000210193_100011713738 [0,1,0,1,0,0|1,0,1]=4 16355 B13R1.404 C=CCC(=O)CCCC1OCCO1 1458a_100000210193_100000042513 [0,1,0,1,0,0|1,0,1]=4 16356 B13R1.404 C=CCC(=O)COCC1CCCO1 1458a_100011223388_100000210623 [0,1,0,1,0,0|1,0,1]=4 16357 B13R1.404 C=CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210623 [0,1,0,1,0,0|1,0,1]=4 16358 B13R1.404 C=CCC(C)COCC1CCCC1 34a_100009832082_100000740388 [0,1,0,1,0,0|2,0,0]=4 16359 B13R1.404 C=CCC(C)COCC1CCCC1 7a_100009832082_100000740388 [0,1,0,1,0,0|2,0,0]=4 16360 B13R1.404 C=CCC(C)COCC1CCCO1 7a_100009832082_100000203698 [0,1,0,1,0,0|1,0,0]=3 16361 B13R1.404 C=CCC(C)COCC1OCCO1 34a_100009832082_100000755774 [0,1,0,1,0,0|2,0,0]=4 16362 B13R1.404 C=CCC(C)COCC1OCCO1 7a_100009832082_100000755774 [0,1,0,1,0,0|2,0,0]=4 16363 B13R1.404 C=CCN(C)CCCC1CCCC1 2230a_100000225617_100011713738 [0,1,0,1,0,0|2,0,0]=4 16364 B13R1.404 C=CCN(C)CCCC1CCCC1 2230a_100015186261_100000210623 [0,1,0,1,0,0|2,0,0]=4 16365 B13R1.404 C=CCN(C)CCCC1CCCC1 269982a_100000225617_100011713738 [0,1,0,1,0,0|2,0,0]=4 16366 B13R1.404 C=CCN(C)CCCC1CCCC1 269982a_100015186261_100000210623 [0,1,0,1,0,0|2,0,0]=4 16367 B13R1.404 C=CCN(C)CCCC1CCCC1 34a_100015186261_100015514636 [0,1,0,1,0,0|2,0,0]=4 16368 B13R1.404 C=CCN(C)CCCC1CCCO1 2230a_100011698863_100000210623 [0,1,0,1,0,0|1,0,0]=3 16369 B13R1.404 C=CCN(C)CCCC1CCCO1 269982a_100011698863_100000210623 [0,1,0,1,0,0|1,0,0]=3 16370 B13R1.404 C=CCN(C)CCCC1CCCO1 34a_100011698863_100015514636 [0,1,0,1,0,0|1,0,0]=3 16371 B13R1.404 C=CCN(C)CCCC1OCCO1 2230a_100000225617_100000042513 [0,1,0,1,0,0|2,0,0]=4 16372 B13R1.404 C=CCN(C)CCCC1OCCO1 269982a_100000225617_100000042513 [0,1,0,1,0,0|2,0,0]=4 16373 B13R1.404 C=CC[C@@H](C)OCCC1CCCC1 34a_100000731007_100000760354 [0,1,0,1,0,0|2,0,0]=4 16374 B13R1.404 C=CC[C@@H](C)OCCC1CCCC1 7a_100000731007_100000760354 [0,1,0,1,0,0|2,0,0]=4 16375 B13R1.404 C=CC[C@@H](C)OCCC1OCCO1 34a_100000731007_100000740749 [0,1,0,1,0,0|2,0,0]=4 16376 B13R1.404 C=CC[C@@H](C)OCCC1OCCO1 7a_100000731007_100000740749 [0,1,0,1,0,0|2,0,0]=4 16377 B13R1.404 C=CC[C@@H](N)COCC1CCCC1 34a_100020615467_100000740388 [0,1,0,1,0,0|2,0,0]=4 16378 B13R1.404 C=CC[C@@H](N)COCC1OCCO1 34a_100020615467_100000755774 [0,1,0,1,0,0|2,0,0]=4 16379 B13R1.404 CN(CC=O)CCCC1CCCO1 2230a_100011698863_200015260668 [0,1,0,1,0,0|2,0,0]=4 16380 B13R1.404 CN(CC=O)CCCC1CCCO1 269982a_100011698863_200015260668 [0,1,0,1,0,0|2,0,0]=4 16381 B13R1.404 CN(CC=O)CCCC1CCCO1 34a_100011698863_200009817547 [0,1,0,1,0,0|2,0,0]=4 16382 B13R1.444 C=CCC(C)COC1COCC1O 34a_100009832082_200000725654 [0,1,0,1,0,0|2,0,0]=4 16383 B13R1.444 C=CCC(C)COC1COCC1O 7a_100009832082_200000725654 [0,1,0,1,0,0|2,0,0]=4 16384 B13R1.444 C=CC[C@@H](N)COC1COCC1O 34a_100020615467_200000725654 [0,1,0,1,0,0|2,0,0]=4 16385 B13R1.453 C=CCC(C)COCCCC1CO1 34a_100009832082_100000733510 [0,1,0,1,0,0|1,0,0]=3 16386 B13R1.453 C=CCC(C)COCCCC1CO1 7a_100009832082_100000733510 [0,1,0,1,0,0|1,0,0]=3 16387 B13R1.453 C=CC[C@@H](N)COCCCC1CO1 34a_100020615467_100000733510 [0,1,0,1,0,0|1,0,0]=3 16388 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_100009893172_200016118888 [0,1,0,1,0,0|2,0,0]=4 16389 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_200016118888_100009893172 [0,1,0,1,0,0|2,0,0]=4 16390 B13R1.461 C[C@H](CCO)NCCC1CCC1=O 2230a_100000706166_200016118888 [0,1,0,1,0,0|2,0,0]=4 16391 B13R1.463 CN(CCO)C1CCCCCC1=O 269982a_100000210263_100000243696 [0,1,0,1,0,0|2,0,0]=4 16392 B13R1.463 O=C(CCO)C1CCCCCC1=O 1458a_100011216618_100000243696 [0,1,0,1,0,0|1,0,1]=4 16393 B13R1.464 C=CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210193 [0,1,0,1,0,0|1,0,1]=4 16394 B13R1.464 C=CCN(C)C1CCCCC1CC 270004a_100000225617_100000757040 [0,1,0,1,0,0|2,0,0]=4 16395 B13R1.464 C=CCN(C)C1CCCCC1CO 270004a_100000225617_100009861125 [0,1,0,1,0,0|1,0,0]=3 16396 B13R1.470 C=CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210193 [0,1,0,1,0,0|1,0,1]=4 16397 B13R1.470 C=CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210193 [0,1,0,1,0,0|1,0,1]=4 16398 B13R1.470 C=CC[C@@H](C)OC1CCCCC1F 34a_100000731007_100015423560 [0,1,0,1,0,0|2,0,0]=4 16399 B13R1.470 C=CC[C@@H](C)OC1CCCCC1O 34a_100000731007_100000038908 [0,1,0,1,0,0|1,0,0]=3 16400 B13R1.470 CC(CCO)OC1CCCCC1=O 34a_100011214950_100009893172 [0,1,0,1,0,0|2,0,0]=4 16401 B13R1.470 CC(CCO)SC1CCCCC1=O 62a_100000204591_100009893172 [0,1,0,1,0,0|2,0,0]=4 16402 B13R1.470 CC(CCO)SC1CCCCC1=O 62a_100009893172_100000204591 [0,1,0,1,0,0|2,0,0]=4 16403 B13R1.470 C[C@H](CCO)NC1CCCCC1=O 34a_100000706166_100000754470 [0,1,0,1,0,0|2,0,0]=4 16404 B13R1.567 C=CCCN1CCCC(C1)CCO 2230a_100000752241_100000754431 [0,1,0,1,0,0|1,0,0]=3 16405 B13R1.567 C=CCCN1CCCC(C1)CCO 269982a_100000752241_100000754431 [0,1,0,1,0,0|1,0,0]=3 16406 B13R1.567 C=CCCN1CCCC(C1)CCO 34a_100000752241_100000754431 [0,1,0,1,0,0|1,0,0]=3 16407 B13R1.567 C=CCN1CCCC(C1)CCCO 2230a_100150707839_100000210623 [0,1,0,1,0,0|1,0,0]=3 16408 B13R1.567 C=CCN1CCCC(C1)CCCO 269982a_100150707839_100000210623 [0,1,0,1,0,0|1,0,0]=3 16409 B13R1.567 C=CCN1CCCC(C1)CCCO 34a_100150707839_100015514636 [0,1,0,1,0,0|1,0,0]=3 16410 B13R1.567 O=CCN1CCCC(C1)CCCO 2230a_100150707839_200015260668 [0,1,0,1,0,0|2,0,0]=4 16411 B13R1.567 O=CCN1CCCC(C1)CCCO 269982a_100150707839_200015260668 [0,1,0,1,0,0|2,0,0]=4 16412 B13R1.567 O=CCN1CCCC(C1)CCCO 34a_100150707839_200009817547 [0,1,0,1,0,0|2,0,0]=4 16413 B13R1.654 C#CCCCCS[C@@H]1CCC[C@H]1O 62a_100010269958_200016002552 [0,1,0,1,0,0|0,0,2]=4 16414 B13R1.654 C#CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100010269958 [0,1,0,1,0,0|0,0,2]=4 16415 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,1,0,1,0,0|1,0,0]=3 16416 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,1,0,1,0,0|1,0,0]=3 16417 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 16418 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 16419 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 16420 B13R1.654 C=CCCCCCN1CCSC1C 2230a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 16421 B13R1.654 C=CCCCCCN1CCSC1C 269982a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 16422 B13R1.654 C=CCCCCCN1CCSC1C 34a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 16423 B13R1.654 C=CCCCCNC1CCCC1=O 2230a_100000703577_100000211823 [0,1,0,1,0,0|0,0,2]=4 16424 B13R1.654 C=CCCCCNC1CCCC1=O 34a_100000703577_100000709159 [0,1,0,1,0,0|0,0,2]=4 16425 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,1,0,1,0,0|1,0,0]=3 16426 B13R1.654 C=CCCCCNC1CCOC1C 270004a_100000703577_100000691750 [0,1,0,1,0,0|2,0,0]=4 16427 B13R1.654 C=CCCCCNC1COCC1O 34a_100000703577_200000725654 [0,1,0,1,0,0|1,0,0]=3 16428 B13R1.654 C=CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215482 [0,1,0,1,0,0|1,0,0]=3 16429 B13R1.654 C=CCCCCOC1CCCC1=O 34a_100000766645_100000709159 [0,1,0,1,0,0|0,0,2]=4 16430 B13R1.654 C=CCCCCOC1CCCC1=O 34a_200000719330_100011215482 [0,1,0,1,0,0|0,0,2]=4 16431 B13R1.654 C=CCCCCOC1CCCC1=O 7a_100000766645_100000211823 [0,1,0,1,0,0|0,0,2]=4 16432 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,1,0,1,0,0|1,0,0]=3 16433 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,1,0,1,0,0|1,0,0]=3 16434 B13R1.654 C=CCCCCOC1COCC1O 34a_100000766645_200000725654 [0,1,0,1,0,0|1,0,0]=3 16435 B13R1.654 C=CCCCCOC1COCC1O 7a_100000766645_200000725654 [0,1,0,1,0,0|1,0,0]=3 16436 B13R1.654 C=CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215482 [0,1,0,1,0,0|1,0,0]=3 16437 B13R1.654 C=CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215482 [0,1,0,1,0,0|1,0,0]=3 16438 B13R1.654 C=CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011215482 [0,1,0,1,0,0|2,0,0]=4 16439 B13R1.654 C=CCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100011215482 [0,1,0,1,0,0|2,0,0]=4 16440 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100000211823_100011215482 [0,1,0,1,0,0|0,0,2]=4 16441 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100011215482_100000211823 [0,1,0,1,0,0|0,0,2]=4 16442 B13R1.654 C=CCCCCSC1COCC1O 62a_100011215482_200000725654 [0,1,0,1,0,0|1,0,0]=3 16443 B13R1.654 C=CCCCCSC1COCC1O 62a_200000725654_100011215482 [0,1,0,1,0,0|1,0,0]=3 16444 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_100011215482_200016002552 [0,1,0,1,0,0|0,0,0]=2 16445 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215482 [0,1,0,1,0,0|0,0,0]=2 16446 B13R1.654 C=CCCCOCC1CCCN1C 34a_100000743107_100000757094 [0,1,0,1,0,0|2,0,0]=4 16447 B13R1.654 C=CCCNCCC1CCCN1C 2230a_100015191253_100000005710 [0,1,0,1,0,0|2,0,0]=4 16448 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011205117_100000005710 [0,1,0,1,0,0|2,0,0]=4 16449 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 16450 B13R1.654 C=CCCOCCC1CCCN1C 7a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 16451 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000005710_100000754431 [0,1,0,1,0,0|2,0,0]=4 16452 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000754431_100000005710 [0,1,0,1,0,0|2,0,0]=4 16453 B13R1.654 C=CCOCCOC1COCC1O 34a_100000037705_200000725654 [0,1,0,1,0,0|2,0,0]=4 16454 B13R1.654 C=CCOCCOC1COCC1O 7a_100000037705_200000725654 [0,1,0,1,0,0|2,0,0]=4 16455 B13R1.654 C=COCCCNC1CCCC1C 269862a_100000210767_100000752053 [0,1,0,1,0,0|2,0,0]=4 16456 B13R1.654 C=COCCCNC1COCC1O 34a_100000210767_200000725654 [0,1,0,1,0,0|2,0,0]=4 16457 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [0,1,0,1,0,0|0,0,2]=4 16458 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,1,0,1,0,0|2,0,0]=4 16459 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 16460 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 16461 B13R1.654 CC=CCCCOC1COCC1O 34a_100020645299_200000725654 [0,1,0,1,0,0|2,0,0]=4 16462 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|2,0,0]=4 16463 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|2,0,0]=4 16464 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|2,0,0]=4 16465 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|2,0,0]=4 16466 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|2,0,0]=4 16467 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|2,0,0]=4 16468 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,1,0,1,0,0|0,0,2]=4 16469 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,1,0,1,0,0|0,0,2]=4 16470 B13R1.654 CN1CCCC1CCOCCCO 34a_100011215177_100000230001 [0,1,0,1,0,0|1,0,1]=4 16471 B13R1.654 CN1CCCC1CCOCCCO 7a_100011215177_100011215043 [0,1,0,1,0,0|1,0,1]=4 16472 B13R1.654 CN1CCCC1CCSCCCO 62a_100000005710_100011215043 [0,1,0,1,0,0|1,0,1]=4 16473 B13R1.654 CN1CCCC1CCSCCCO 62a_100011215043_100000005710 [0,1,0,1,0,0|1,0,1]=4 16474 B13R1.654 CN1CCCC1COCCCCO 34a_100000743107_100011216708 [0,1,0,1,0,0|1,0,1]=4 16475 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,1,0,1,0,0|2,0,0]=4 16476 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,1,0,1,0,0|2,0,0]=4 16477 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,1,0,1,0,0|2,0,0]=4 16478 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,1,0,1,0,0|2,0,0]=4 16479 B13R1.654 COCCCCS[C@@H]1CCC[C@H]1O 62a_100000730899_200016002552 [0,1,0,1,0,0|1,0,1]=4 16480 B13R1.654 COCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730899 [0,1,0,1,0,0|1,0,1]=4 16481 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,1,0,1,0,0|2,0,0]=4 16482 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,1,0,1,0,0|2,0,0]=4 16483 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 16484 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 16485 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 16486 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,1,0,1,0,0|2,0,0]=4 16487 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,1,0,1,0,0|2,0,0]=4 16488 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 16489 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 16490 B13R1.654 N#CCCCCS[C@@H]1CCC[C@H]1O 62a_100011219923_200016002552 [0,1,0,1,0,0|1,0,1]=4 16491 B13R1.654 N#CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211819 [0,1,0,1,0,0|1,0,1]=4 16492 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,1,0,1,0,0|2,0,0]=4 16493 B13R1.654 N[C@H]1CCC[C@@H]1OCCCCCO 34a_100000748460_100000746330 [0,1,0,1,0,0|1,0,1]=4 16494 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,1,0,0|1,0,0]=3 16495 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,0]=3 16496 B13R1.654 O=C1CCCC1NCCOCCO 2230a_100000211614_100000211823 [0,1,0,1,0,0|2,0,0]=4 16497 B13R1.654 O=C1CCCC1NCCOCCO 34a_100000211614_100000709159 [0,1,0,1,0,0|2,0,0]=4 16498 B13R1.654 O=C1CCCC1NCCSCCO 2230a_100011219999_100000211823 [0,1,0,1,0,0|2,0,0]=4 16499 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,1,0,1,0,0|2,0,0]=4 16500 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,1,0,1,0,0|2,0,0]=4 16501 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,1,0,1,0,0|2,0,0]=4 16502 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,1,0,1,0,0|2,0,0]=4 16503 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,1,0,1,0,0|2,0,0]=4 16504 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,1,0,1,0,0|2,0,0]=4 16505 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,1,0,1,0,0|2,0,0]=4 16506 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,1,0,0|1,0,0]=3 16507 B13R1.654 O=C1CCCC1OCCOCCO 34a_200000719330_100000692535 [0,1,0,1,0,0|2,0,0]=4 16508 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,1,0,1,0,0|2,0,0]=4 16509 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,1,0,1,0,0|2,0,0]=4 16510 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,1,0,0|1,0,0]=3 16511 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,1,0,0|1,0,0]=3 16512 B13R1.654 O=C1CCCC1SCCOCCO 62a_100000211823_100011215305 [0,1,0,1,0,0|2,0,0]=4 16513 B13R1.654 O=C1CCCC1SCCOCCO 62a_100011215305_100000211823 [0,1,0,1,0,0|2,0,0]=4 16514 B13R1.654 O=C1CCCN1CCCNCCO 2230a_100000210347_100000211926 [0,1,0,1,0,0|2,0,0]=4 16515 B13R1.654 O=C1CCCN1CCCNCCO 34a_100000210347_100000211926 [0,1,0,1,0,0|2,0,0]=4 16516 B13R1.654 O=C1CCCN1CCCOCCO 34a_100011216539_100000211926 [0,1,0,1,0,0|2,0,0]=4 16517 B13R1.654 O=C1CCCN1CCCOCCO 7a_100011216539_100000211926 [0,1,0,1,0,0|2,0,0]=4 16518 B13R1.654 O=C1CCCN1CCNCCCO 2230a_100011200922_100000230001 [0,1,0,1,0,0|2,0,0]=4 16519 B13R1.654 O=C1CCCN1CCOCCCO 34a_100000211209_100000230001 [0,1,0,1,0,0|2,0,0]=4 16520 B13R1.654 O=C1CCCN1CCOCCCO 7a_100000211209_100011215043 [0,1,0,1,0,0|2,0,0]=4 16521 B13R1.654 O=C1CCCN1CCSCCCO 62a_100000739059_100011215043 [0,1,0,1,0,0|2,0,0]=4 16522 B13R1.654 O=C1CCCN1CCSCCCO 62a_100011215043_100000739059 [0,1,0,1,0,0|2,0,0]=4 16523 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000026320_100000210776 [0,1,0,1,0,0|2,0,0]=4 16524 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000210776_100000026320 [0,1,0,1,0,0|2,0,0]=4 16525 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,1,0,1,0,0|2,0,0]=4 16526 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 16527 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 16528 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,1,0,1,0,0|2,0,0]=4 16529 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 16530 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 16531 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,1,0,1,0,0|2,0,0]=4 16532 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 16533 B13R1.654 O=CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139335 [0,1,0,1,0,0|2,0,0]=4 16534 B13R1.654 O=CCCCCSC1COCC1O 62a_100000139335_200000725654 [0,1,0,1,0,0|2,0,0]=4 16535 B13R1.654 O=CCCCCSC1COCC1O 62a_200000725654_100000139335 [0,1,0,1,0,0|2,0,0]=4 16536 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,1,0,1,0,0|1,0,0]=3 16537 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,1,0,1,0,0|1,0,0]=3 16538 B13R1.654 OCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000746330 [0,1,0,1,0,0|1,0,1]=4 16539 B13R1.654 OCCCCCS[C@@H]1CCC[C@H]1O 62a_100000746330_200016002552 [0,1,0,1,0,0|1,0,1]=4 16540 B13R1.654 OCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000746330 [0,1,0,1,0,0|1,0,1]=4 16541 B13R1.654 O[C@@H]1CCC[C@H]1SCCCCCF 62a_100000729378_200016002552 [0,1,0,1,0,0|1,0,1]=4 16542 B13R1.654 O[C@@H]1CCC[C@H]1SCCCCCF 62a_200016002552_100000729378 [0,1,0,1,0,0|1,0,1]=4 16543 B13R1.657 C=CCCCN1CCC(C1)CCO 2230a_100016987287_100011713584 [0,1,0,1,0,0|1,0,0]=3 16544 B13R1.657 C=CCCCN1CCC(C1)CCO 269982a_100016987287_100000757094 [0,1,0,1,0,0|1,0,0]=3 16545 B13R1.657 C=CCCCN1CCC(C1)CCO 34a_100016987287_100000757094 [0,1,0,1,0,0|1,0,0]=3 16546 B13R1.657 C=CCCNC1CCC(C1)CCC 270004a_100015191253_200012087856 [0,1,0,1,0,0|2,0,0]=4 16547 B13R1.657 C=CCN1CCC(C1)COCCO 34a_100011652569_100000211926 [0,1,0,1,0,0|2,0,0]=4 16548 B13R1.657 C=COCCN1CCC(C1)CCO 2230a_100016987287_100000039644 [0,1,0,1,0,0|2,0,0]=4 16549 B13R1.657 C=COCCN1CCC(C1)CCO 269982a_100016987287_100000039644 [0,1,0,1,0,0|2,0,0]=4 16550 B13R1.657 C=COCCN1CCC(C1)CCO 34a_100016987287_100000039644 [0,1,0,1,0,0|2,0,0]=4 16551 B13R1.657 O=CCCCN1CCC(C1)CCO 2230a_100016987287_200011292268 [0,1,0,1,0,0|2,0,0]=4 16552 B13R1.657 O=CCCCN1CCC(C1)CCO 269982a_100016987287_200011292268 [0,1,0,1,0,0|2,0,0]=4 16553 B13R1.1149 C=CCCCN1CCCC(CC1)C 2230a_100025706717_100011713584 [0,1,0,1,0,0|2,0,0]=4 16554 B13R1.1149 C=CCCCN1CCCC(CC1)C 269982a_100025706717_100000757094 [0,1,0,1,0,0|2,0,0]=4 16555 B13R1.1149 C=CCCCN1CCCC(CC1)C 34a_100025706717_100000757094 [0,1,0,1,0,0|2,0,0]=4 16556 B13R1.1149 C=CCCCN1CCCC(CC1)O 2230a_100015186869_100011713584 [0,1,0,1,0,0|2,0,0]=4 16557 B13R1.1149 C=CCCCN1CCCC(CC1)O 269982a_100015186869_100000757094 [0,1,0,1,0,0|2,0,0]=4 16558 B13R1.1464 C=CCN(C)C1CCCCCCC1 270004a_100000225617_100000210524 [0,1,0,1,0,0|2,0,0]=4 16559 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000210193_200000696569 [0,1,0,1,0,0|1,0,1]=4 16560 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210623 [0,1,0,1,0,0|1,0,1]=4 16561 B13R1.1575 C=CCN(C)CC1CCCCCC1 2230a_100000225617_200000696569 [0,1,0,1,0,0|2,0,0]=4 16562 B13R1.1575 C=CCN(C)CC1CCCCCC1 269982a_100000225617_200000696569 [0,1,0,1,0,0|2,0,0]=4 16563 B13R1.1575 C=CC[C@@H](C)OC1CCCCCC1 34a_100000731007_100011217769 [0,1,0,1,0,0|2,0,0]=4 16564 B13R1.3151 C=CCCCCCCC(=O)C1CC1 1458a_100000210395_100011215473 [0,1,0,1,0,0|1,0,1]=4 16565 B13R1.3151 C=CCCCCCCC(=O)C1CO1 1458a_100000701028_100011215473 [0,1,0,1,0,0|0,0,1]=3 16566 B13R1.3151 C=CCCCCCCN(C)C1CC1 2230a_100000226674_100011215473 [0,1,0,1,0,0|2,0,0]=4 16567 B13R1.3151 C=CCCCCCCN(C)C1CC1 269982a_100000226674_100011215473 [0,1,0,1,0,0|2,0,0]=4 16568 B13R1.3151 C=CCCCCCNC(C)C1CC1 2230a_100000700016_100000700193 [0,1,0,1,0,0|2,0,0]=4 16569 B13R1.3151 C=CCCCCCNC(C)C1CC1 34a_100000700016_100000700193 [0,1,0,1,0,0|2,0,0]=4 16570 B13R1.3151 C=CCCCCCOC(C)C1CC1 34a_100000744524_100000700193 [0,1,0,1,0,0|2,0,0]=4 16571 B13R1.3151 C=CCCCCCOC(C)C1CC1 7a_100000744524_100000700193 [0,1,0,1,0,0|2,0,0]=4 16572 B13R1.3151 C=CCCCCNCC(O)C1CC1 2230a_100000751198_100011215482 [0,1,0,1,0,0|2,0,0]=4 16573 B13R1.3151 C=CCCCCNCC(O)C1CC1 34a_100000751198_100011215482 [0,1,0,1,0,0|2,0,0]=4 16574 B13R1.3151 C=CCCCCOC[C@H](N)C1CC1 34a_100020623730_100011215482 [0,1,0,1,0,0|2,0,0]=4 16575 B13R1.3673 C=CCCCCCNC1(CCC1)C 2230a_100000692455_100000700193 [0,1,0,1,0,0|2,0,0]=4 16576 B13R1.3673 C=CCCCCCNC1(CCC1)C 34a_100000692455_100000700193 [0,1,0,1,0,0|2,0,0]=4 16577 B13R1.3673 C=CCCCCCOC1(CCC1)C 34a_100000759064_100000700193 [0,1,0,1,0,0|2,0,0]=4 16578 B13R1.3673 C=CCCCCCOC1(CCC1)C 7a_100000759064_100000700193 [0,1,0,1,0,0|2,0,0]=4 16579 B13R1.3673 C=CCCCCNCC1(CCC1)C 2230a_100000703577_100000726658 [0,1,0,1,0,0|2,0,0]=4 16580 B13R1.3673 C=CCCCCNCC1(CCC1)C 2230a_100000706607_100011215482 [0,1,0,1,0,0|2,0,0]=4 16581 B13R1.3673 C=CCCCCNCC1(CCC1)C 34a_100000703577_100000726658 [0,1,0,1,0,0|2,0,0]=4 16582 B13R1.3673 C=CCCCCNCC1(CCC1)O 2230a_100000752638_100011215482 [0,1,0,1,0,0|2,0,0]=4 16583 B13R1.3673 C=CCCCCOCC1(CCC1)C 34a_100000766645_100000726658 [0,1,0,1,0,0|2,0,0]=4 16584 B13R1.3673 C=CCCCCOCC1(CCC1)C 7a_100000766645_100000726658 [0,1,0,1,0,0|2,0,0]=4 16585 B13R1.3673 C=CCCCCSCC1(CCC1)C 62a_100000726658_100011215482 [0,1,0,1,0,0|2,0,0]=4 16586 B13R1.3673 C=CCCCCSCC1(CCC1)C 62a_100011215482_100000726658 [0,1,0,1,0,0|2,0,0]=4 16587 B13R1.28 BrCCCCCOC1C=CCCC1 7a_100000746331_100000751183 [0,1,0,1,0,0|1,0,0]=3 16588 B13R1.28 BrCCCCOCC1CCCCO1 34a_100011216708_100000211543 [0,1,0,1,0,0|1,0,1]=4 16589 B13R1.28 BrCCOCCOC1C=CCCC1 7a_100000692535_100000751183 [0,1,0,1,0,0|2,0,0]=4 16590 B13R1.28 C#CCCCCNC1C=CCCC1 2230a_100000706060_100000751183 [0,1,0,1,0,0|1,0,1]=4 16591 B13R1.28 C#CCCCCOC1C=CCCC1 34a_100011215024_100010269958 [0,1,0,1,0,0|1,0,1]=4 16592 B13R1.28 C#CCCCCOC1C=CCCC1 7a_100000766709_100000751183 [0,1,0,1,0,0|1,0,1]=4 16593 B13R1.28 C#CCCCCOC1CCCCO1 34a_100000033831_100010269958 [0,1,0,1,0,0|0,0,2]=4 16594 B13R1.28 C#CCCCCSC1C=CCCC1 62a_100000751183_100010269958 [0,1,0,1,0,0|1,0,1]=4 16595 B13R1.28 C#CCCCCSC1C=CCCC1 62a_100010269958_100000751183 [0,1,0,1,0,0|1,0,1]=4 16596 B13R1.28 C#CCCCNCC1CCCCO1 2230a_100000174945_100000731252 [0,1,0,1,0,0|0,0,2]=4 16597 B13R1.28 C#CCCCNCC1CCCCO1 34a_100000174945_100000695029 [0,1,0,1,0,0|0,0,2]=4 16598 B13R1.28 C#CCCCNCC1CCCCO1 34a_100000718082_100000211543 [0,1,0,1,0,0|0,0,2]=4 16599 B13R1.28 C#CCCCOCC1CCCCO1 34a_100000211370_100000695029 [0,1,0,1,0,0|0,0,2]=4 16600 B13R1.28 C#CCCCOCC1CCCCO1 34a_100000215630_100000211543 [0,1,0,1,0,0|0,0,2]=4 16601 B13R1.28 C#CCCCOCC1CCCCO1 7a_100000211370_100011215417 [0,1,0,1,0,0|0,0,2]=4 16602 B13R1.28 C#CCCCOCC1CCCCO1 7a_100000215630_100000211543 [0,1,0,1,0,0|0,0,2]=4 16603 B13R1.28 C#CCCCSCC1CCCCO1 62a_100000211543_100011215417 [0,1,0,1,0,0|0,0,2]=4 16604 B13R1.28 C#CCCCSCC1CCCCO1 62a_100011215417_100000211543 [0,1,0,1,0,0|0,0,2]=4 16605 B13R1.28 C#CCCNCCC1CCCCO1 2230a_100015183643_100000688953 [0,1,0,1,0,0|0,0,2]=4 16606 B13R1.28 C#CCCNCCC1CCCCO1 34a_100015183643_100000688953 [0,1,0,1,0,0|0,0,2]=4 16607 B13R1.28 C/C=C/CCOCC1CCCCC1 34a_100016278192_100000211423 [0,1,0,1,0,0|2,0,0]=4 16608 B13R1.28 C/C=C/CCOCC1CCCCO1 34a_100016278192_100000211543 [0,1,0,1,0,0|1,0,0]=3 16609 B13R1.28 C/C=C/CNCCC1CCCCC1 34a_100000738074_100102629194 [0,1,0,1,0,0|2,0,0]=4 16610 B13R1.28 C/C=C/CNCCC1CCCCO1 34a_100015183643_100102629194 [0,1,0,1,0,0|1,0,0]=3 16611 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100011217863_100102629194 [0,1,0,1,0,0|2,0,0]=4 16612 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100016270725_100011209188 [0,1,0,1,0,0|2,0,0]=4 16613 B13R1.28 C/C=C/COCCC1CCCCC1 7a_100011217863_100102629194 [0,1,0,1,0,0|2,0,0]=4 16614 B13R1.28 C/C=C/COCCC1CCCCN1 34a_100000211664_100102629194 [0,1,0,1,0,0|2,0,0]=4 16615 B13R1.28 C/C=C/COCCC1OCCCO1 34a_100016270725_100000764188 [0,1,0,1,0,0|2,0,0]=4 16616 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100012355289_100102629194 [0,1,0,1,0,0|2,0,0]=4 16617 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100102629194_100012355289 [0,1,0,1,0,0|2,0,0]=4 16618 B13R1.28 C/C=C/CSCCC1OCCCO1 62a_100000764188_100102629194 [0,1,0,1,0,0|2,0,0]=4 16619 B13R1.28 C/C=C/CSCCC1OCCCO1 62a_100102629194_100000764188 [0,1,0,1,0,0|2,0,0]=4 16620 B13R1.28 C=CCCCCCN1CCCOC1 2230a_100000131196_100000700193 [0,1,0,1,0,0|1,0,0]=3 16621 B13R1.28 C=CCCCCCN1CCCOC1 269982a_100000131196_100000700193 [0,1,0,1,0,0|1,0,0]=3 16622 B13R1.28 C=CCCCCCN1CCCOC1 34a_100000131196_100000700193 [0,1,0,1,0,0|1,0,0]=3 16623 B13R1.28 C=CCCCCCN1CCOCC1 2230a_100015191051_100000700193 [0,1,0,1,0,0|2,0,0]=4 16624 B13R1.28 C=CCCCCCN1CCOCC1 269982a_100015191051_100000700193 [0,1,0,1,0,0|2,0,0]=4 16625 B13R1.28 C=CCCCCCN1CCOCC1 34a_100015191051_100000700193 [0,1,0,1,0,0|2,0,0]=4 16626 B13R1.28 C=CCCCCCN1CCSCC1 2230a_100000737611_100000700193 [0,1,0,1,0,0|2,0,0]=4 16627 B13R1.28 C=CCCCCCN1CCSCC1 269982a_100000737611_100000700193 [0,1,0,1,0,0|2,0,0]=4 16628 B13R1.28 C=CCCCCNC1C=CCCC1 2230a_100000703577_100000751183 [0,1,0,1,0,0|1,0,1]=4 16629 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [0,1,0,1,0,0|1,0,0]=3 16630 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [0,1,0,1,0,0|1,0,0]=3 16631 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [0,1,0,1,0,0|1,0,0]=3 16632 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [0,1,0,1,0,0|1,0,0]=3 16633 B13R1.28 C=CCCCCNC1CCCOC1 2230a_100000719290_100011215482 [0,1,0,1,0,0|1,0,0]=3 16634 B13R1.28 C=CCCCCNC1CCCOC1 270004a_100000703577_100000753404 [0,1,0,1,0,0|1,0,0]=3 16635 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000703577_100000693364 [0,1,0,1,0,0|1,0,0]=3 16636 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000719290_100011215482 [0,1,0,1,0,0|1,0,0]=3 16637 B13R1.28 C=CCCCCNC1CCCSC1 270004a_100000703577_100000057913 [0,1,0,1,0,0|1,1,0]=4 16638 B13R1.28 C=CCCCCNC1CCNCC1 270004a_100000703577_100015192401 [0,1,0,1,0,0|2,0,0]=4 16639 B13R1.28 C=CCCCCNC1CCOCC1 2230a_100000741149_100011215482 [0,1,0,1,0,0|2,0,0]=4 16640 B13R1.28 C=CCCCCNC1CCOCC1 270004a_100000703577_100011217826 [0,1,0,1,0,0|2,0,0]=4 16641 B13R1.28 C=CCCCCNC1CCOCC1 34a_100000741149_100011215482 [0,1,0,1,0,0|2,0,0]=4 16642 B13R1.28 C=CCCCCNC1CCSCC1 2230a_100000748639_100011215482 [0,1,0,1,0,0|2,0,0]=4 16643 B13R1.28 C=CCCCCNC1CCSCC1 270004a_100000703577_100000203788 [0,1,0,1,0,0|2,0,0]=4 16644 B13R1.28 C=CCCCCNC1CCSCC1 34a_100000703577_100000069128 [0,1,0,1,0,0|2,0,0]=4 16645 B13R1.28 C=CCCCCNC1CCSCC1 34a_100000748639_100011215482 [0,1,0,1,0,0|2,0,0]=4 16646 B13R1.28 C=CCCCCOC1C=CCCC1 34a_100011215024_100011215482 [0,1,0,1,0,0|1,0,1]=4 16647 B13R1.28 C=CCCCCOC1C=CCCC1 7a_100000766645_100000751183 [0,1,0,1,0,0|1,0,1]=4 16648 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [0,1,0,1,0,0|1,0,0]=3 16649 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [0,1,0,1,0,0|1,0,0]=3 16650 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [0,1,0,1,0,0|1,0,0]=3 16651 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [0,1,0,1,0,0|1,0,0]=3 16652 B13R1.28 C=CCCCCOC1CCCCO1 34a_100000033831_100011215482 [0,1,0,1,0,0|0,0,0]=2 16653 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000754041_100011215482 [0,1,0,1,0,0|1,0,0]=3 16654 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000766645_100000693364 [0,1,0,1,0,0|1,0,0]=3 16655 B13R1.28 C=CCCCCOC1CCCOC1 7a_100000766645_100000693364 [0,1,0,1,0,0|1,0,0]=3 16656 B13R1.28 C=CCCCCOC1CCCSC1 7a_100015962668_100011215482 [0,1,0,1,0,0|1,1,0]=4 16657 B13R1.28 C=CCCCCOC1CCOCC1 34a_100000744328_100011215482 [0,1,0,1,0,0|2,0,0]=4 16658 B13R1.28 C=CCCCCOC1CCOCC1 7a_100000766645_100000686592 [0,1,0,1,0,0|2,0,0]=4 16659 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000731022_100011215482 [0,1,0,1,0,0|2,0,0]=4 16660 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000766645_100000069128 [0,1,0,1,0,0|2,0,0]=4 16661 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000731022_100011215482 [0,1,0,1,0,0|2,0,0]=4 16662 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000766645_100011500858 [0,1,0,1,0,0|2,0,0]=4 16663 B13R1.28 C=CCCCCSC1C=CCCC1 62a_100000751183_100011215482 [0,1,0,1,0,0|1,0,1]=4 16664 B13R1.28 C=CCCCCSC1C=CCCC1 62a_100011215482_100000751183 [0,1,0,1,0,0|1,0,1]=4 16665 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,1,0,1,0,0|1,0,0]=3 16666 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,1,0,1,0,0|1,0,0]=3 16667 B13R1.28 C=CCCCCSC1CCCOC1 62a_100011215482_100000693364 [0,1,0,1,0,0|1,0,0]=3 16668 B13R1.28 C=CCCCCSC1CCOCC1 62a_100011215482_100011324220 [0,1,0,1,0,0|2,0,0]=4 16669 B13R1.28 C=CCCCCSC1CCSCC1 62a_100011215482_100000069128 [0,1,0,1,0,0|2,0,0]=4 16670 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,1,0,1,0,0|1,0,0]=3 16671 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,1,0,1,0,0|1,0,0]=3 16672 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,1,0,1,0,0|1,0,0]=3 16673 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,1,0,1,0,0|1,0,0]=3 16674 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,1,0,1,0,0|1,0,0]=3 16675 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000174945_100011713584 [0,1,0,1,0,0|0,0,0]=2 16676 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000700776_100000211543 [0,1,0,1,0,0|0,0,0]=2 16677 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000174945_100000757094 [0,1,0,1,0,0|0,0,0]=2 16678 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000700776_100000211543 [0,1,0,1,0,0|0,0,0]=2 16679 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000700776_100000741521 [0,1,0,1,0,0|1,0,0]=3 16680 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000720124_100011713584 [0,1,0,1,0,0|1,0,0]=3 16681 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000700776_100000741521 [0,1,0,1,0,0|1,0,0]=3 16682 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000720124_100000757094 [0,1,0,1,0,0|1,0,0]=3 16683 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000700776_100000754603 [0,1,0,1,0,0|2,0,0]=4 16684 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000746373_100011713584 [0,1,0,1,0,0|2,0,0]=4 16685 B13R1.28 C=CCCCNCC1CCOCC1 269862a_100000700776_100000749017 [0,1,0,1,0,0|2,0,0]=4 16686 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000700776_100000754603 [0,1,0,1,0,0|2,0,0]=4 16687 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000746373_100000757094 [0,1,0,1,0,0|2,0,0]=4 16688 B13R1.28 C=CCCCNCC1CCSCC1 2230a_100015188806_100011713584 [0,1,0,1,0,0|2,0,0]=4 16689 B13R1.28 C=CCCCNCC1CCSCC1 269862a_100000700776_100000067145 [0,1,0,1,0,0|2,0,0]=4 16690 B13R1.28 C=CCCCNCC1CCSCC1 270004a_100000700776_100000067145 [0,1,0,1,0,0|2,0,0]=4 16691 B13R1.28 C=CCCCNCC1CCSCC1 34a_100015188806_100000757094 [0,1,0,1,0,0|2,0,0]=4 16692 B13R1.28 C=CCCCNC[C@H]1COCCO1 2230a_100010981119_100011713584 [0,1,0,1,0,0|1,0,0]=3 16693 B13R1.28 C=CCCCNC[C@H]1COCCO1 34a_100010981119_100000757094 [0,1,0,1,0,0|1,0,0]=3 16694 B13R1.28 C=CCCCOCC1CCC=CO1 34a_100011217868_100000757094 [0,1,0,1,0,0|0,0,2]=4 16695 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,1,0,1,0,0|1,0,0]=3 16696 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,1,0,1,0,0|1,0,0]=3 16697 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,1,0,1,0,0|1,0,0]=3 16698 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,1,0,1,0,0|1,0,0]=3 16699 B13R1.28 C=CCCCOCC1CCCCN1 34a_100000210821_100000757094 [0,1,0,1,0,0|1,0,0]=3 16700 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000211370_100000757094 [0,1,0,1,0,0|0,0,0]=2 16701 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000758997_100000211543 [0,1,0,1,0,0|0,0,0]=2 16702 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000211370_100000757094 [0,1,0,1,0,0|0,0,0]=2 16703 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000758997_100000211543 [0,1,0,1,0,0|0,0,0]=2 16704 B13R1.28 C=CCCCOCC1CCCNC1 34a_100000211344_100000757094 [0,1,0,1,0,0|2,0,0]=4 16705 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000741520_100000757094 [0,1,0,1,0,0|1,0,0]=3 16706 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000758997_100000741521 [0,1,0,1,0,0|1,0,0]=3 16707 B13R1.28 C=CCCCOCC1CCCOC1 7a_100000758997_100000741521 [0,1,0,1,0,0|1,0,0]=3 16708 B13R1.28 C=CCCCOCC1CCNCC1 34a_100000738675_100000757094 [0,1,0,1,0,0|2,0,0]=4 16709 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000749013_100000757094 [0,1,0,1,0,0|2,0,0]=4 16710 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000758997_100000754603 [0,1,0,1,0,0|2,0,0]=4 16711 B13R1.28 C=CCCCOCC1CCOCC1 7a_100000758997_100000754603 [0,1,0,1,0,0|2,0,0]=4 16712 B13R1.28 C=CCCCOCC1CCSCC1 34a_100000070558_100000757094 [0,1,0,1,0,0|2,0,0]=4 16713 B13R1.28 C=CCCCOCC1CCSCC1 7a_100000070558_100000757094 [0,1,0,1,0,0|2,0,0]=4 16714 B13R1.28 C=CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000757094 [0,1,0,1,0,0|1,0,0]=3 16715 B13R1.28 C=CCCCOC[C@@H]1COCCN1 34a_100000717676_100000757094 [0,1,0,1,0,0|2,0,0]=4 16716 B13R1.28 C=CCCCOC[C@H]1COCCO1 34a_100009875890_100000757094 [0,1,0,1,0,0|1,0,0]=3 16717 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,1,0,1,0,0|1,0,0]=3 16718 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,1,0,1,0,0|1,0,0]=3 16719 B13R1.28 C=CCCCSCC1CCCCO1 62a_100000211543_100000757094 [0,1,0,1,0,0|0,0,0]=2 16720 B13R1.28 C=CCCCSCC1CCCCO1 62a_100011713584_100000211543 [0,1,0,1,0,0|0,0,0]=2 16721 B13R1.28 C=CCCCSCC1CCCOC1 62a_100000741521_100000757094 [0,1,0,1,0,0|1,0,0]=3 16722 B13R1.28 C=CCCCSCC1CCCOC1 62a_100011713584_100000741521 [0,1,0,1,0,0|1,0,0]=3 16723 B13R1.28 C=CCCCSCC1CCOCC1 62a_100000754603_100000757094 [0,1,0,1,0,0|2,0,0]=4 16724 B13R1.28 C=CCCCSCC1CCOCC1 62a_100011713584_100000749018 [0,1,0,1,0,0|2,0,0]=4 16725 B13R1.28 C=CCCNCCC1=CCCCC1 2230a_100000212019_100000754431 [0,1,0,1,0,0|1,0,1]=4 16726 B13R1.28 C=CCCNCCC1=CCCCC1 34a_100000212019_100000754431 [0,1,0,1,0,0|1,0,1]=4 16727 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,1,0,1,0,0|1,0,0]=3 16728 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,1,0,1,0,0|1,0,0]=3 16729 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,1,0,1,0,0|1,0,0]=3 16730 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,1,0,1,0,0|1,0,0]=3 16731 B13R1.28 C=CCCNCCC1CCCCO1 2230a_100015183643_100000754431 [0,1,0,1,0,0|0,0,0]=2 16732 B13R1.28 C=CCCNCCC1CCCCO1 34a_100015183643_100000754431 [0,1,0,1,0,0|0,0,0]=2 16733 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100000755988_100000754431 [0,1,0,1,0,0|2,0,0]=4 16734 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100015191253_100011934994 [0,1,0,1,0,0|2,0,0]=4 16735 B13R1.28 C=CCCNCCC1CCOCC1 34a_100000755988_100000754431 [0,1,0,1,0,0|2,0,0]=4 16736 B13R1.28 C=CCCNCCC1OCCCO1 2230a_100015191253_100000764188 [0,1,0,1,0,0|1,0,0]=3 16737 B13R1.28 C=CCCNCCN1CCCCC1 2230a_100015191253_100000739454 [0,1,0,1,0,0|2,0,0]=4 16738 B13R1.28 C=CCCNCOC1CCCCC1 2230a_100015191253_100011935260 [0,1,0,1,0,0|2,0,0]=4 16739 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,1,0,1,0,0|1,0,0]=3 16740 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,1,0,1,0,0|1,0,0]=3 16741 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,1,0,1,0,0|1,0,0]=3 16742 B13R1.28 C=CCCOCCC1CCCCN1 34a_100000211664_100000754431 [0,1,0,1,0,0|1,0,0]=3 16743 B13R1.28 C=CCCOCCC1CCCNC1 34a_100000752241_100000754431 [0,1,0,1,0,0|2,0,0]=4 16744 B13R1.28 C=CCCOCCC1CCNCC1 34a_100015190746_100000754431 [0,1,0,1,0,0|2,0,0]=4 16745 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011205117_100011934994 [0,1,0,1,0,0|2,0,0]=4 16746 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011933979_100000754431 [0,1,0,1,0,0|2,0,0]=4 16747 B13R1.28 C=CCCOCCC1CCOCC1 7a_100011933979_100000754431 [0,1,0,1,0,0|2,0,0]=4 16748 B13R1.28 C=CCCOCCC1OCCCO1 34a_100011205117_100000764188 [0,1,0,1,0,0|1,0,0]=3 16749 B13R1.28 C=CCCOCCC1SCCCS1 34a_200011025297_100000754431 [0,1,0,1,0,0|1,1,0]=4 16750 B13R1.28 C=CCCOCCC1SCCCS1 7a_200011025297_100000754431 [0,1,0,1,0,0|1,1,0]=4 16751 B13R1.28 C=CCCOCCN1CCCCC1 34a_100011205117_100000739454 [0,1,0,1,0,0|2,0,0]=4 16752 B13R1.28 C=CCCOCC[C@@H]1CNCCN1 34a_100016989929_100000754431 [0,1,0,1,0,0|2,0,0]=4 16753 B13R1.28 C=CCCOCOC1CCCCC1 34a_100011205117_100011935260 [0,1,0,1,0,0|2,0,0]=4 16754 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,1,0,1,0,0|1,0,0]=3 16755 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,1,0,1,0,0|1,0,0]=3 16756 B13R1.28 C=CCCSCCC1CCOCC1 62a_100000754431_100011934994 [0,1,0,1,0,0|2,0,0]=4 16757 B13R1.28 C=CCCSCCC1CCOCC1 62a_100011934994_100000754431 [0,1,0,1,0,0|2,0,0]=4 16758 B13R1.28 C=CCCSCCC1OCCCO1 62a_100000754431_100000764188 [0,1,0,1,0,0|1,0,0]=3 16759 B13R1.28 C=CCCSCCC1OCCCO1 62a_100000764188_100000754431 [0,1,0,1,0,0|1,0,0]=3 16760 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000739454_100000754431 [0,1,0,1,0,0|2,0,0]=4 16761 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000754431_100000739454 [0,1,0,1,0,0|2,0,0]=4 16762 B13R1.28 C=CCCSCOC1CCCCC1 62a_100000754431_100011935260 [0,1,0,1,0,0|2,0,0]=4 16763 B13R1.28 C=CCCSCOC1CCCCC1 62a_100011935260_100000754431 [0,1,0,1,0,0|2,0,0]=4 16764 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,1,0,1,0,0|1,0,0]=3 16765 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,1,0,1,0,0|1,0,0]=3 16766 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,1,0,1,0,0|1,0,0]=3 16767 B13R1.28 C=CCNCCCN1CCCCC1 2230a_100020586998_100000690320 [0,1,0,1,0,0|2,0,0]=4 16768 B13R1.28 C=CCNCCOC1CCCCC1 2230a_100020586998_100011211530 [0,1,0,1,0,0|2,0,0]=4 16769 B13R1.28 C=CCNCCOC1CCCCC1 34a_100015206981_100015514636 [0,1,0,1,0,0|2,0,0]=4 16770 B13R1.28 C=CCNCCOC1CCCCO1 2230a_100020586998_100000744793 [0,1,0,1,0,0|1,0,0]=3 16771 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,1,0,1,0,0|1,0,0]=3 16772 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,1,0,1,0,0|1,0,0]=3 16773 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,1,0,1,0,0|1,0,0]=3 16774 B13R1.28 C=CCOCCCC1CCCCN1 34a_100011934581_100015514636 [0,1,0,1,0,0|1,0,0]=3 16775 B13R1.28 C=CCOCCCC1CCCNC1 34a_100150707839_100015514636 [0,1,0,1,0,0|2,0,0]=4 16776 B13R1.28 C=CCOCCCC1CCNCC1 34a_100016988962_100015514636 [0,1,0,1,0,0|2,0,0]=4 16777 B13R1.28 C=CCOCCCN1CCCCC1 34a_100000212458_100015514636 [0,1,0,1,0,0|2,0,0]=4 16778 B13R1.28 C=CCOCCCN1CCCCC1 34a_200000210373_100000690320 [0,1,0,1,0,0|2,0,0]=4 16779 B13R1.28 C=CCOCCNC1CCCCC1 34a_100000200466_100015514636 [0,1,0,1,0,0|2,0,0]=4 16780 B13R1.28 C=CCOCCOC1CCCCC1 34a_100000037705_100000210327 [0,1,0,1,0,0|2,0,0]=4 16781 B13R1.28 C=CCOCCOC1CCCCC1 34a_100011249652_100015514636 [0,1,0,1,0,0|2,0,0]=4 16782 B13R1.28 C=CCOCCOC1CCCCC1 34a_200000210373_100011211530 [0,1,0,1,0,0|2,0,0]=4 16783 B13R1.28 C=CCOCCOC1CCCCC1 7a_100000037705_100000210327 [0,1,0,1,0,0|2,0,0]=4 16784 B13R1.28 C=CCOCCOC1CCCCC1 7a_100011249652_100015514636 [0,1,0,1,0,0|2,0,0]=4 16785 B13R1.28 C=CCOCCOC1CCCCO1 34a_100000034223_100015514636 [0,1,0,1,0,0|1,0,0]=3 16786 B13R1.28 C=CCOCCOC1CCCCO1 34a_200000210373_100000744793 [0,1,0,1,0,0|1,0,0]=3 16787 B13R1.28 C=CCOCCOC1CCCCO1 7a_100000034223_100015514636 [0,1,0,1,0,0|1,0,0]=3 16788 B13R1.28 C=CCOCCOC1CCCOC1 34a_100000037705_100000693364 [0,1,0,1,0,0|2,0,0]=4 16789 B13R1.28 C=CCOCCOC1CCCOC1 7a_100000037705_100000693364 [0,1,0,1,0,0|2,0,0]=4 16790 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,1,0,1,0,0|1,0,0]=3 16791 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,1,0,1,0,0|1,0,0]=3 16792 B13R1.28 C=CCSCCCN1CCCCC1 62a_100000210623_100000007876 [0,1,0,1,0,0|2,0,0]=4 16793 B13R1.28 C=CCSCCCN1CCCCC1 62a_100132302099_100000210623 [0,1,0,1,0,0|2,0,0]=4 16794 B13R1.28 C=CCSCCOC1CCCCC1 62a_100000210623_100011211530 [0,1,0,1,0,0|2,0,0]=4 16795 B13R1.28 C=CCSCCOC1CCCCC1 62a_100011211530_100000210623 [0,1,0,1,0,0|2,0,0]=4 16796 B13R1.28 C=CCSCCOC1CCCCO1 62a_100000210623_100000744793 [0,1,0,1,0,0|1,0,0]=3 16797 B13R1.28 C=CCSCCOC1CCCCO1 62a_100000744793_100000210623 [0,1,0,1,0,0|1,0,0]=3 16798 B13R1.28 C=COCCCNC1CCCCC1 270004a_100000210767_100000210434 [0,1,0,1,0,0|2,0,0]=4 16799 B13R1.28 C=COCCCNC1CCCCC1 34a_100000210767_100000210327 [0,1,0,1,0,0|2,0,0]=4 16800 B13R1.28 C=COCCCNC1CCCOC1 270004a_100000210767_100000753404 [0,1,0,1,0,0|2,0,0]=4 16801 B13R1.28 C=COCCCNC1CCCOC1 34a_100000210767_100000693364 [0,1,0,1,0,0|2,0,0]=4 16802 B13R1.28 C=COCCNCC1CCCCC1 2230a_100000210473_100000039644 [0,1,0,1,0,0|2,0,0]=4 16803 B13R1.28 C=COCCNCC1CCCCC1 34a_100000210473_100000039644 [0,1,0,1,0,0|2,0,0]=4 16804 B13R1.28 C=COCCNCC1CCCCO1 2230a_100000174945_100000039644 [0,1,0,1,0,0|1,0,0]=3 16805 B13R1.28 C=COCCNCC1CCCCO1 34a_100000174945_100000039644 [0,1,0,1,0,0|1,0,0]=3 16806 B13R1.28 C=COCCNCC1CCCOC1 2230a_100000720124_100000039644 [0,1,0,1,0,0|2,0,0]=4 16807 B13R1.28 C=COCCNCC1CCCOC1 34a_100000720124_100000039644 [0,1,0,1,0,0|2,0,0]=4 16808 B13R1.28 C=COCCNC[C@H]1COCCO1 2230a_100010981119_100000039644 [0,1,0,1,0,0|2,0,0]=4 16809 B13R1.28 C=COCCNC[C@H]1COCCO1 34a_100010981119_100000039644 [0,1,0,1,0,0|2,0,0]=4 16810 B13R1.28 C=COCCOCC1CCCCC1 34a_100000033082_100000211423 [0,1,0,1,0,0|2,0,0]=4 16811 B13R1.28 C=COCCOCC1CCCCC1 34a_100000212181_100000039644 [0,1,0,1,0,0|2,0,0]=4 16812 B13R1.28 C=COCCOCC1CCCCC1 7a_100000212181_100000039644 [0,1,0,1,0,0|2,0,0]=4 16813 B13R1.28 C=COCCOCC1CCCCN1 34a_100000210821_100000039644 [0,1,0,1,0,0|2,0,0]=4 16814 B13R1.28 C=COCCOCC1CCCCO1 34a_100000033082_100000211543 [0,1,0,1,0,0|1,0,0]=3 16815 B13R1.28 C=COCCOCC1CCCCO1 34a_100000211370_100000039644 [0,1,0,1,0,0|1,0,0]=3 16816 B13R1.28 C=COCCOCC1CCCCO1 7a_100000211370_100000039644 [0,1,0,1,0,0|1,0,0]=3 16817 B13R1.28 C=COCCOCC1CCCOC1 34a_100000033082_100000741521 [0,1,0,1,0,0|2,0,0]=4 16818 B13R1.28 C=COCCOCC1CCCOC1 34a_100000741520_100000039644 [0,1,0,1,0,0|2,0,0]=4 16819 B13R1.28 C=COCCOC[C@@H]1CNCCO1 34a_100015189573_100000039644 [0,1,0,1,0,0|2,0,0]=4 16820 B13R1.28 C=COCCOC[C@H]1COCCO1 34a_100009875890_100000039644 [0,1,0,1,0,0|2,0,0]=4 16821 B13R1.28 C=COCCSCC1CCCCC1 62a_100000039644_100000211423 [0,1,0,1,0,0|2,0,0]=4 16822 B13R1.28 C=COCCSCC1CCCCC1 62a_100000211423_100000039644 [0,1,0,1,0,0|2,0,0]=4 16823 B13R1.28 C=COCCSCC1CCCCO1 62a_100000039644_100000211543 [0,1,0,1,0,0|1,0,0]=3 16824 B13R1.28 C=COCCSCC1CCCCO1 62a_100000211543_100000039644 [0,1,0,1,0,0|1,0,0]=3 16825 B13R1.28 C=COCCSCC1CCCOC1 62a_100000039644_100000741521 [0,1,0,1,0,0|2,0,0]=4 16826 B13R1.28 C=COCCSCC1CCCOC1 62a_100000741521_100000039644 [0,1,0,1,0,0|2,0,0]=4 16827 B13R1.28 CC=CCCCOC1CCCCC1 34a_100020645299_100000210327 [0,1,0,1,0,0|2,0,0]=4 16828 B13R1.28 CC=CCNCCC1CCCCC1 2230a_100000738074_100000070051 [0,1,0,1,0,0|2,0,0]=4 16829 B13R1.28 CC=CCNCCC1CCCCC1 34a_100000738074_100000070051 [0,1,0,1,0,0|2,0,0]=4 16830 B13R1.28 CC=CCNCCC1CCCCO1 2230a_100015183643_100000070051 [0,1,0,1,0,0|1,0,0]=3 16831 B13R1.28 CC=CCNCCC1CCCCO1 34a_100015183643_100000070051 [0,1,0,1,0,0|1,0,0]=3 16832 B13R1.28 CC=CCOCCC1CCCCC1 34a_100011217863_100000070051 [0,1,0,1,0,0|2,0,0]=4 16833 B13R1.28 CC=CCOCCC1CCCCC1 7a_100011217863_100000070051 [0,1,0,1,0,0|2,0,0]=4 16834 B13R1.28 CC=CCOCCC1CCCCN1 34a_100000211664_100000070051 [0,1,0,1,0,0|2,0,0]=4 16835 B13R1.28 CC=CCSCCC1CCCCC1 62a_100000070051_100012355289 [0,1,0,1,0,0|2,0,0]=4 16836 B13R1.28 CC=CCSCCC1CCCCC1 62a_100012355289_100000070051 [0,1,0,1,0,0|2,0,0]=4 16837 B13R1.28 CC=CCSCCC1OCCCO1 62a_100000070051_100000764188 [0,1,0,1,0,0|2,0,0]=4 16838 B13R1.28 CC=CCSCCC1OCCCO1 62a_100000764188_100000070051 [0,1,0,1,0,0|2,0,0]=4 16839 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,1,0,1,0,0|2,0,0]=4 16840 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,1,0,1,0,0|2,0,0]=4 16841 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,1,0,1,0,0|2,0,0]=4 16842 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,1,0,1,0,0|1,0,0]=3 16843 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,1,0,1,0,0|1,0,0]=3 16844 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,1,0,1,0,0|1,0,0]=3 16845 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [0,1,0,1,0,0|2,0,0]=4 16846 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [0,1,0,1,0,0|0,0,2]=4 16847 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,1,0,1,0,0|1,0,0]=3 16848 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,1,0,1,0,0|1,0,0]=3 16849 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [0,1,0,1,0,0|2,0,0]=4 16850 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [0,1,0,1,0,0|0,0,2]=4 16851 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [0,1,0,1,0,0|0,0,2]=4 16852 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [0,1,0,1,0,0|0,0,2]=4 16853 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [0,1,0,1,0,0|2,0,0]=4 16854 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,1,0,1,0,0|2,0,0]=4 16855 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 16856 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,1,0,1,0,0|0,0,2]=4 16857 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 16858 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,1,0,1,0,0|0,0,2]=4 16859 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [0,1,0,1,0,0|0,0,2]=4 16860 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [0,1,0,1,0,0|0,0,2]=4 16861 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [0,1,0,1,0,0|0,0,2]=4 16862 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [0,1,0,1,0,0|0,0,2]=4 16863 B13R1.28 CCCCOCOC1C=CCCC1 34a_100011215024_100011995733 [0,1,0,1,0,0|2,0,0]=4 16864 B13R1.28 CCCCOCSC1C=CCCC1 62a_100000751183_100011995733 [0,1,0,1,0,0|2,0,0]=4 16865 B13R1.28 CCCCOCSC1C=CCCC1 62a_100011995733_100000751183 [0,1,0,1,0,0|2,0,0]=4 16866 B13R1.28 CCCOCCNC1C=CCCC1 2230a_100161115042_100000751183 [0,1,0,1,0,0|2,0,0]=4 16867 B13R1.28 CCCOCCOC1C=CCCC1 34a_100011215024_100011215938 [0,1,0,1,0,0|2,0,0]=4 16868 B13R1.28 CCCOCCOC1C=CCCC1 7a_100000752267_100000751183 [0,1,0,1,0,0|2,0,0]=4 16869 B13R1.28 CCCOCCSC1C=CCCC1 62a_100000751183_100011215938 [0,1,0,1,0,0|2,0,0]=4 16870 B13R1.28 CCCOCCSC1C=CCCC1 62a_100011215938_100000751183 [0,1,0,1,0,0|2,0,0]=4 16871 B13R1.28 CCCSCCNC1C=CCCC1 2230a_100020603323_100000751183 [0,1,0,1,0,0|2,0,0]=4 16872 B13R1.28 CCCSCCOC1C=CCCC1 7a_200000230433_100000751183 [0,1,0,1,0,0|2,0,0]=4 16873 B13R1.28 CCOCCCNC1C=CCCC1 2230a_100000210961_100000751183 [0,1,0,1,0,0|2,0,0]=4 16874 B13R1.28 CCOCCCOC1C=CCCC1 34a_100011215024_100012232248 [0,1,0,1,0,0|2,0,0]=4 16875 B13R1.28 CCOCCCOC1C=CCCC1 7a_100000757476_100000751183 [0,1,0,1,0,0|2,0,0]=4 16876 B13R1.28 CCOCCCSC1C=CCCC1 62a_100000751183_100012232248 [0,1,0,1,0,0|2,0,0]=4 16877 B13R1.28 CCOCCCSC1C=CCCC1 62a_100012232248_100000751183 [0,1,0,1,0,0|2,0,0]=4 16878 B13R1.28 CCSCCCOC1C=CCCC1 7a_100011216438_100000751183 [0,1,0,1,0,0|2,0,0]=4 16879 B13R1.28 CNCCCCOC1CCCCO1 2230a_106832991635_100000031530 [0,1,0,1,0,0|1,0,1]=4 16880 B13R1.28 CNCCCCOC1CCCCO1 34a_100102657272_100000031530 [0,1,0,1,0,0|1,0,1]=4 16881 B13R1.28 CNCCCCOC1CCCCO1 7a_106832991635_100000031530 [0,1,0,1,0,0|1,0,1]=4 16882 B13R1.28 CNCCCOCC1CCCCO1 34a_100000213112_100000211543 [0,1,0,1,0,0|1,0,1]=4 16883 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [0,1,0,1,0,0|1,0,0]=3 16884 B13R1.28 COCCCCOC1CCCCO1 34a_100000033831_100000755781 [0,1,0,1,0,0|1,0,1]=4 16885 B13R1.28 COCCCCOC1CCCCO1 34a_100138415774_100000031530 [0,1,0,1,0,0|1,0,1]=4 16886 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [0,1,0,1,0,0|1,0,0]=3 16887 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [0,1,0,1,0,0|1,0,0]=3 16888 B13R1.28 COCCCNCC1CCCCO1 2230a_100000174945_100000740836 [0,1,0,1,0,0|1,0,1]=4 16889 B13R1.28 COCCCNCC1CCCCO1 34a_100000174945_100000740836 [0,1,0,1,0,0|1,0,1]=4 16890 B13R1.28 COCCCNCC1CCCCO1 34a_100150723488_100000211543 [0,1,0,1,0,0|1,0,1]=4 16891 B13R1.28 COCCCOCC1CCCCO1 34a_100000211370_100000740836 [0,1,0,1,0,0|1,0,1]=4 16892 B13R1.28 COCCCOCC1CCCCO1 34a_100000740835_100000211543 [0,1,0,1,0,0|1,0,1]=4 16893 B13R1.28 COCCCOCC1CCCCO1 7a_100000211370_100000740836 [0,1,0,1,0,0|1,0,1]=4 16894 B13R1.28 COCCCSCC1CCCCO1 62a_100000211543_100000709357 [0,1,0,1,0,0|1,0,1]=4 16895 B13R1.28 COCCCSCC1CCCCO1 62a_100000709357_100000211543 [0,1,0,1,0,0|1,0,1]=4 16896 B13R1.28 COCCNCCC1CCCCO1 2230a_100015183643_100011201679 [0,1,0,1,0,0|1,0,1]=4 16897 B13R1.28 COCCNCCC1CCCCO1 34a_100015183643_100011201679 [0,1,0,1,0,0|1,0,1]=4 16898 B13R1.28 COCCOCSC1C=CCCC1 62a_100000231047_100000751183 [0,1,0,1,0,0|2,0,0]=4 16899 B13R1.28 COCCOCSC1C=CCCC1 62a_100000751183_100000231047 [0,1,0,1,0,0|2,0,0]=4 16900 B13R1.28 CSCCCCOC1C=CCCC1 7a_100011217163_100000751183 [0,1,0,1,0,0|1,1,0]=4 16901 B13R1.28 CSCCCCOC1CCCCO1 62a_100000031530_200000210301 [0,1,0,1,0,0|1,0,1]=4 16902 B13R1.28 CSCCCCOC1CCCCO1 62a_200000210301_100000031530 [0,1,0,1,0,0|1,0,1]=4 16903 B13R1.28 CSCCCNCC1CCCCO1 2230a_100000749238_100000211543 [0,1,0,1,0,0|1,0,1]=4 16904 B13R1.28 CSCCCOCC1CCCCO1 34a_100000690336_100000211543 [0,1,0,1,0,0|1,0,1]=4 16905 B13R1.28 CSCCCOCC1CCCCO1 7a_100000690336_100000211543 [0,1,0,1,0,0|1,0,1]=4 16906 B13R1.28 CSCCNCCC1CCCCO1 2230a_100015183643_100000751147 [0,1,0,1,0,0|1,0,1]=4 16907 B13R1.28 CSCCNCCC1CCCCO1 34a_100015183643_100000212216 [0,1,0,1,0,0|1,0,1]=4 16908 B13R1.28 ClCCCCCOC1C=CCCC1 7a_100000746330_100000751183 [0,1,0,1,0,0|1,0,0]=3 16909 B13R1.28 ClCCCCOCC1CCCCO1 34a_100000210776_100000211543 [0,1,0,1,0,0|1,0,1]=4 16910 B13R1.28 ClCCCCOCC1CCCCO1 7a_100000210776_100000211543 [0,1,0,1,0,0|1,0,1]=4 16911 B13R1.28 ClCCOCCOC1C=CCCC1 7a_100011215305_100000751183 [0,1,0,1,0,0|2,0,0]=4 16912 B13R1.28 FCCCCCCN1CC=CCC1 2230a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 16913 B13R1.28 FCCCCCCN1CC=CCC1 269982a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 16914 B13R1.28 FCCCCCCN1CC=CCC1 34a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 16915 B13R1.28 FCCCCCOC1C=CCCC1 34a_100011215024_100000729378 [0,1,0,1,0,0|1,0,0]=3 16916 B13R1.28 FCCCCCOC1CC=CCC1 34a_100000073881_100000729378 [0,1,0,1,0,0|2,0,0]=4 16917 B13R1.28 FCCCCCOC1CCCCO1 34a_100000033831_100000729378 [0,1,0,1,0,0|1,0,1]=4 16918 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000729378_100000751183 [0,1,0,1,0,0|1,0,0]=3 16919 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000751183_100000729378 [0,1,0,1,0,0|1,0,0]=3 16920 B13R1.28 FCCCCNCC1CCCCO1 2230a_100000174945_100000729493 [0,1,0,1,0,0|1,0,1]=4 16921 B13R1.28 FCCCCNCC1CCCCO1 34a_100000174945_100000729493 [0,1,0,1,0,0|1,0,1]=4 16922 B13R1.28 FCCCCOCC1CC=CCC1 34a_100000210713_100000729493 [0,1,0,1,0,0|2,0,0]=4 16923 B13R1.28 FCCCCOCC1CCC=CO1 34a_100011217868_100000729493 [0,1,0,1,0,0|2,0,0]=4 16924 B13R1.28 FCCCCOCC1CCCCO1 34a_100000211370_100000729493 [0,1,0,1,0,0|1,0,1]=4 16925 B13R1.28 FCCCCOCC1CCCCO1 34a_100011995726_100000211543 [0,1,0,1,0,0|1,0,1]=4 16926 B13R1.28 FCCCCOCC1CCCCO1 7a_100000211370_100000729493 [0,1,0,1,0,0|1,0,1]=4 16927 B13R1.28 FCCCCOCC1CCCCO1 7a_100011995726_100000211543 [0,1,0,1,0,0|1,0,1]=4 16928 B13R1.28 FCCCCSCC1CCCCO1 62a_100000211543_100000729493 [0,1,0,1,0,0|1,0,1]=4 16929 B13R1.28 FCCCCSCC1CCCCO1 62a_100000729493_100000211543 [0,1,0,1,0,0|1,0,1]=4 16930 B13R1.28 FCCCNCCC1CCCCO1 2230a_100015183643_100011934791 [0,1,0,1,0,0|1,0,1]=4 16931 B13R1.28 FCCCNCCC1CCCCO1 34a_100015183643_100011934791 [0,1,0,1,0,0|1,0,1]=4 16932 B13R1.28 FCCOCCOC1C=CCCC1 7a_200015357709_100000751183 [0,1,0,1,0,0|2,0,0]=4 16933 B13R1.28 ICCCCCOC1C=CCCC1 7a_200012148887_100000751183 [0,1,0,1,0,0|1,0,0]=3 16934 B13R1.28 ICCCCOCC1CCCCO1 34a_200012148704_100000211543 [0,1,0,1,0,0|1,0,1]=4 16935 B13R1.28 ICCOCCOC1C=CCCC1 7a_100012149058_100000751183 [0,1,0,1,0,0|2,0,0]=4 16936 B13R1.28 N#CCCCCSC1C=CCCC1 62a_100000751183_100000211819 [0,1,0,1,0,0|1,0,1]=4 16937 B13R1.28 N#CCCCCSC1C=CCCC1 62a_100011219923_100000751183 [0,1,0,1,0,0|1,0,1]=4 16938 B13R1.28 N#CCCCNCC1CCCCO1 2230a_100000174945_100000687738 [0,1,0,1,0,0|1,0,1]=4 16939 B13R1.28 N#CCCCOCC1CCCCO1 7a_100000211370_100000687738 [0,1,0,1,0,0|1,0,1]=4 16940 B13R1.28 N#CCCCSCC1CCCCO1 62a_100000211543_100000687738 [0,1,0,1,0,0|1,0,1]=4 16941 B13R1.28 N#CCCCSCC1CCCCO1 62a_100000687738_100000211543 [0,1,0,1,0,0|1,0,1]=4 16942 B13R1.28 N#CCCNCCC1CCCCO1 2230a_100015183643_100011215226 [0,1,0,1,0,0|1,0,1]=4 16943 B13R1.28 NCCCCOCC1CCCCO1 34a_100000750430_100000211543 [0,1,0,1,0,0|1,0,1]=4 16944 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [0,1,0,1,0,0|2,0,0]=4 16945 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [0,1,0,1,0,0|2,0,0]=4 16946 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,1,0,1,0,0|2,0,0]=4 16947 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [0,1,0,1,0,0|2,0,0]=4 16948 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,1,0,1,0,0|2,0,0]=4 16949 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000139335_100000751183 [0,1,0,1,0,0|0,0,2]=4 16950 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000751183_100000139335 [0,1,0,1,0,0|0,0,2]=4 16951 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,1,0,1,0,0|2,0,0]=4 16952 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,1,0,1,0,0|2,0,0]=4 16953 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [0,1,0,1,0,0|2,0,0]=4 16954 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,1,0,1,0,0|2,0,0]=4 16955 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,1,0,1,0,0|1,0,0]=3 16956 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [0,1,0,1,0,0|2,0,0]=4 16957 B13R1.28 O=CCCCNC[C@H]1COCCO1 2230a_100010981119_200011292268 [0,1,0,1,0,0|2,0,0]=4 16958 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,1,0,1,0,0|2,0,0]=4 16959 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,1,0,1,0,0|1,0,0]=3 16960 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,1,0,1,0,0|2,0,0]=4 16961 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,1,0,1,0,0|2,0,0]=4 16962 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,1,0,1,0,0|1,0,0]=3 16963 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,1,0,1,0,0|1,0,0]=3 16964 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [0,1,0,1,0,0|2,0,0]=4 16965 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [0,1,0,1,0,0|2,0,0]=4 16966 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,1,0,1,0,0|2,0,0]=4 16967 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,1,0,1,0,0|2,0,0]=4 16968 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,1,0,1,0,0|2,0,0]=4 16969 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,1,0,1,0,0|2,0,0]=4 16970 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [0,1,0,1,0,0|2,0,0]=4 16971 B13R1.28 O=CCOCCOC1CCCCO1 34a_100000034223_200009817547 [0,1,0,1,0,0|2,0,0]=4 16972 B13R1.28 O=CCOCCOC1CCCCO1 7a_100000034223_200015260668 [0,1,0,1,0,0|2,0,0]=4 16973 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,1,0,1,0,0|2,0,0]=4 16974 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,1,0,1,0,0|2,0,0]=4 16975 B13R1.28 O=CCSCCOC1CCCCO1 62a_100000744793_200015260668 [0,1,0,1,0,0|2,0,0]=4 16976 B13R1.28 O=CCSCCOC1CCCCO1 62a_200015260668_100000744793 [0,1,0,1,0,0|2,0,0]=4 16977 B13R1.28 OCCCCCCN1CC=CCC1 2230a_100000698166_100000766143 [0,1,0,1,0,0|1,0,0]=3 16978 B13R1.28 OCCCCCCN1CC=CCC1 269982a_100000698166_100000766143 [0,1,0,1,0,0|1,0,0]=3 16979 B13R1.28 OCCCCCCN1CC=CCC1 34a_100000698166_100000766143 [0,1,0,1,0,0|1,0,0]=3 16980 B13R1.28 OCCCCCCN1CCCOC1 2230a_100000131196_100000766143 [0,1,0,1,0,0|1,0,1]=4 16981 B13R1.28 OCCCCCCN1CCCOC1 269982a_100000131196_100000766143 [0,1,0,1,0,0|1,0,1]=4 16982 B13R1.28 OCCCCCCN1CCCOC1 34a_100000131196_100000766143 [0,1,0,1,0,0|1,0,1]=4 16983 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [0,1,0,1,0,0|0,0,0]=2 16984 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 16985 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [0,1,0,1,0,0|0,0,2]=4 16986 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 16987 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|0,0,2]=4 16988 B13R1.28 OCCCCCNC1CCCOC1 2230a_100000719290_100000746330 [0,1,0,1,0,0|1,0,1]=4 16989 B13R1.28 OCCCCCNC1CCCOC1 270004a_100000762737_100000753404 [0,1,0,1,0,0|1,0,1]=4 16990 B13R1.28 OCCCCCNC1CCCOC1 34a_100000719290_100000746330 [0,1,0,1,0,0|1,0,1]=4 16991 B13R1.28 OCCCCCNC1CCCOC1 34a_100000762737_100000693364 [0,1,0,1,0,0|1,0,1]=4 16992 B13R1.28 OCCCCCNC1CCCSC1 270004a_100000762737_100000057913 [0,1,0,1,0,0|1,0,1]=4 16993 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [0,1,0,1,0,0|0,0,0]=2 16994 B13R1.28 OCCCCCOC1CC=CCC1 34a_100000073881_100000746330 [0,1,0,1,0,0|1,0,0]=3 16995 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 16996 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 16997 B13R1.28 OCCCCCOC1CCCCO1 34a_100000033831_100000746330 [0,1,0,1,0,0|1,0,1]=4 16998 B13R1.28 OCCCCCOC1CCCOC1 34a_100000754041_100000746330 [0,1,0,1,0,0|1,0,1]=4 16999 B13R1.28 OCCCCCOC1CCCSC1 7a_100015962668_100000746330 [0,1,0,1,0,0|1,0,1]=4 17000 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [0,1,0,1,0,0|0,0,0]=2 17001 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [0,1,0,1,0,0|0,0,0]=2 17002 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [0,1,0,1,0,0|0,0,2]=4 17003 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [0,1,0,1,0,0|0,0,2]=4 17004 B13R1.28 OCCCCCSC1CCCOC1 62a_100000746330_100000693364 [0,1,0,1,0,0|1,0,1]=4 17005 B13R1.28 OCCCCNCC1CC=CCC1 270004a_100000750430_100000189434 [0,1,0,1,0,0|1,0,0]=3 17006 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [0,1,0,1,0,0|0,0,2]=4 17007 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 17008 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [0,1,0,1,0,0|0,0,2]=4 17009 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [0,1,0,1,0,0|0,0,2]=4 17010 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 17011 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000174945_100000210776 [0,1,0,1,0,0|1,0,1]=4 17012 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000750430_100000211543 [0,1,0,1,0,0|1,0,1]=4 17013 B13R1.28 OCCCCNCC1CCCCO1 34a_100000174945_100011216708 [0,1,0,1,0,0|1,0,1]=4 17014 B13R1.28 OCCCCNCC1CCCCO1 34a_100000750430_100000211543 [0,1,0,1,0,0|1,0,1]=4 17015 B13R1.28 OCCCCNCC1CCCOC1 2230a_100000720124_100000210776 [0,1,0,1,0,0|1,0,1]=4 17016 B13R1.28 OCCCCNCC1CCCOC1 2230a_100000750430_100000741521 [0,1,0,1,0,0|1,0,1]=4 17017 B13R1.28 OCCCCNCC1CCCOC1 34a_100000720124_100011216708 [0,1,0,1,0,0|1,0,1]=4 17018 B13R1.28 OCCCCNCC1CCCOC1 34a_100000750430_100000741521 [0,1,0,1,0,0|1,0,1]=4 17019 B13R1.28 OCCCCOCC1CC=CCC1 34a_100000210713_100011216708 [0,1,0,1,0,0|1,0,0]=3 17020 B13R1.28 OCCCCOCC1CCC=CO1 34a_100011217868_100011216708 [0,1,0,1,0,0|1,0,0]=3 17021 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [0,1,0,1,0,0|0,0,2]=4 17022 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [0,1,0,1,0,0|0,0,2]=4 17023 B13R1.28 OCCCCOCC1CCCCN1 34a_100000210821_100011216708 [0,1,0,1,0,0|1,0,1]=4 17024 B13R1.28 OCCCCOCC1CCCCO1 34a_100000211370_100011216708 [0,1,0,1,0,0|1,0,1]=4 17025 B13R1.28 OCCCCOCC1CCCCO1 7a_100000211370_100000210776 [0,1,0,1,0,0|1,0,1]=4 17026 B13R1.28 OCCCCOCC1CCCNC1 34a_100000211344_100011216708 [0,1,0,1,0,0|1,0,1]=4 17027 B13R1.28 OCCCCOCC1CCCOC1 34a_100000741520_100011216708 [0,1,0,1,0,0|1,0,1]=4 17028 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [0,1,0,1,0,0|0,0,2]=4 17029 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [0,1,0,1,0,0|0,0,2]=4 17030 B13R1.28 OCCCCSCC1CCCCO1 62a_100000210776_100000211543 [0,1,0,1,0,0|1,0,1]=4 17031 B13R1.28 OCCCCSCC1CCCCO1 62a_100000211543_100000210776 [0,1,0,1,0,0|1,0,1]=4 17032 B13R1.28 OCCCCSCC1CCCOC1 62a_100000210776_100000741521 [0,1,0,1,0,0|1,0,1]=4 17033 B13R1.28 OCCCCSCC1CCCOC1 62a_100000741521_100000210776 [0,1,0,1,0,0|1,0,1]=4 17034 B13R1.28 OCCCNCCC1=CCCCC1 2230a_100000212019_100000230001 [0,1,0,1,0,0|0,0,2]=4 17035 B13R1.28 OCCCNCCC1=CCCCC1 34a_100000212019_100000230001 [0,1,0,1,0,0|0,0,2]=4 17036 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 17037 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [0,1,0,1,0,0|0,0,2]=4 17038 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 17039 B13R1.28 OCCCNCCC1CCCCO1 2230a_100015183643_100000230001 [0,1,0,1,0,0|1,0,1]=4 17040 B13R1.28 OCCCNCCC1CCCCO1 34a_100015183643_100000230001 [0,1,0,1,0,0|1,0,1]=4 17041 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [0,1,0,1,0,0|0,0,2]=4 17042 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [0,1,0,1,0,0|0,0,2]=4 17043 B13R1.28 OCCCOCCC1CCCCN1 34a_100000211664_100000230001 [0,1,0,1,0,0|1,0,1]=4 17044 B13R1.28 OCCCOCCC1CCCNC1 34a_100000752241_100000230001 [0,1,0,1,0,0|1,0,1]=4 17045 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [0,1,0,1,0,0|0,0,2]=4 17046 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [0,1,0,1,0,0|0,0,2]=4 17047 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 17048 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [0,1,0,1,0,0|0,0,2]=4 17049 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 17050 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [0,1,0,1,0,0|0,0,2]=4 17051 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 17052 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 17053 B13R1.28 OCCOCCCC1CCCCN1 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 17054 B13R1.28 OCCOCCCC1CCCNC1 34a_100150707839_100000211926 [0,1,0,1,0,0|1,0,1]=4 17055 B13R1.28 OCCOCCNC1C=CCCC1 2230a_100000211614_100000751183 [0,1,0,1,0,0|1,0,0]=3 17056 B13R1.28 OCCOCCOC1C=CCCC1 34a_100011215024_100000692535 [0,1,0,1,0,0|1,0,0]=3 17057 B13R1.28 OCCOCCOC1CC=CCC1 34a_100000073881_100000692535 [0,1,0,1,0,0|2,0,0]=4 17058 B13R1.28 OCCOCCSC1C=CCCC1 62a_100000751183_100011215305 [0,1,0,1,0,0|1,0,0]=3 17059 B13R1.28 OCCOCCSC1C=CCCC1 62a_100011215305_100000751183 [0,1,0,1,0,0|1,0,0]=3 17060 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [0,1,0,1,0,0|0,0,2]=4 17061 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [0,1,0,1,0,0|0,0,2]=4 17062 B13R1.28 OCCSCCNC1C=CCCC1 2230a_100011219999_100000751183 [0,1,0,1,0,0|1,0,0]=3 17063 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_100000031530_200025704644 [0,1,0,1,0,0|1,0,1]=4 17064 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_200025704644_100000031530 [0,1,0,1,0,0|1,0,1]=4 17065 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000243696_100000754431 [0,1,0,1,0,0|0,0,2]=4 17066 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000754431_100000243696 [0,1,0,1,0,0|0,0,2]=4 17067 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|2,0,0]=4 17068 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|2,0,0]=4 17069 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|2,0,0]=4 17070 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|2,0,0]=4 17071 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,1,0,1,0,0|2,0,0]=4 17072 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,1,0,1,0,0|2,0,0]=4 17073 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,1,0,1,0,0|2,0,0]=4 17074 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,1,0,1,0,0|2,0,0]=4 17075 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|1,0,0]=3 17076 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|1,0,0]=3 17077 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 17078 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 17079 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,1,0,1,0,0|2,0,0]=4 17080 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,1,0,1,0,0|2,0,0]=4 17081 B13R1.84 C#CC1CCCCN1CCCC=C 2230a_200020621307_100011713584 [0,1,0,1,0,0|1,0,1]=4 17082 B13R1.84 C#CC1CCCCN1CCCC=C 269982a_200020621307_100000757094 [0,1,0,1,0,0|1,0,1]=4 17083 B13R1.84 C#CC1CCCCN1CCCC=C 34a_200020621307_100000757094 [0,1,0,1,0,0|1,0,1]=4 17084 B13R1.84 C#CC1CCCCN1CCCCO 2230a_200020621307_100000210776 [0,1,0,1,0,0|0,0,2]=4 17085 B13R1.84 C#CC1CCCCN1CCCCO 269982a_200020621307_100000210776 [0,1,0,1,0,0|0,0,2]=4 17086 B13R1.84 C#CC1CCCCN1CCCCO 34a_200020621307_100011216708 [0,1,0,1,0,0|0,0,2]=4 17087 B13R1.84 C#CCCCN1CCCCC1CO 2230a_100000210821_100000731252 [0,1,0,1,0,0|0,0,2]=4 17088 B13R1.84 C#CCCCN1CCCCC1CO 269982a_100000210821_100011215417 [0,1,0,1,0,0|0,0,2]=4 17089 B13R1.84 C#CCCCN1CCCCC1CO 34a_100000210821_100000695029 [0,1,0,1,0,0|0,0,2]=4 17090 B13R1.84 C/C=C/CNC1CCOCC1CO 34a_214813039666_100102629194 [0,1,0,1,0,0|2,0,0]=4 17091 B13R1.84 C/C=C/COC1CCCCC1CC 34a_100000210738_100102629194 [0,1,0,1,0,0|2,0,0]=4 17092 B13R1.84 C/C=C/COC1CCCCC1CC 7a_100000210738_100102629194 [0,1,0,1,0,0|2,0,0]=4 17093 B13R1.84 C/C=C/COC1CCCCC1CN 34a_100011216029_100102629194 [0,1,0,1,0,0|2,0,0]=4 17094 B13R1.84 C=CCCCN1CCCCC1C#N 34a_100016989756_100000757094 [0,1,0,1,0,0|1,0,1]=4 17095 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,1,0,1,0,0|1,0,0]=3 17096 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,1,0,1,0,0|1,0,0]=3 17097 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,1,0,1,0,0|1,0,0]=3 17098 B13R1.84 C=CCCCN1CCCCC1CO 2230a_100000210821_100011713584 [0,1,0,1,0,0|0,0,0]=2 17099 B13R1.84 C=CCCCN1CCCCC1CO 269982a_100000210821_100000757094 [0,1,0,1,0,0|0,0,0]=2 17100 B13R1.84 C=CCCCN1CCCCC1CO 34a_100000210821_100000757094 [0,1,0,1,0,0|0,0,0]=2 17101 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011713584 [0,1,0,1,0,0|2,0,0]=4 17102 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000757094 [0,1,0,1,0,0|2,0,0]=4 17103 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000757094 [0,1,0,1,0,0|2,0,0]=4 17104 B13R1.84 C=CCCCN1CCOC[C@H]1CO 2230a_100000717676_100011713584 [0,1,0,1,0,0|1,0,0]=3 17105 B13R1.84 C=CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000757094 [0,1,0,1,0,0|1,0,0]=3 17106 B13R1.84 C=CCCCN1CCOC[C@H]1CO 34a_100000717676_100000757094 [0,1,0,1,0,0|1,0,0]=3 17107 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,1,0,1,0,0|1,0,0]=3 17108 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,1,0,1,0,0|1,0,0]=3 17109 B13R1.84 C=CCCNC1CCCCC1CO 270004a_100015191253_100009861125 [0,1,0,1,0,0|0,0,0]=2 17110 B13R1.84 C=CCCNC1CCCCC1OC 270004a_100015191253_100000740605 [0,1,0,1,0,0|1,0,0]=3 17111 B13R1.84 C=CCCNC1CCCCC1OC 34a_100011208099_100000754431 [0,1,0,1,0,0|1,0,0]=3 17112 B13R1.84 C=CCCNC1CCOCC1CO 2230a_214813039666_100000754431 [0,1,0,1,0,0|1,0,0]=3 17113 B13R1.84 C=CCCNC1CCOCC1CO 34a_214813039666_100000754431 [0,1,0,1,0,0|1,0,0]=3 17114 B13R1.84 C=CCCNC1CCOCC1OC 270004a_100015191253_100000095984 [0,1,0,1,0,0|2,0,0]=4 17115 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,1,0,1,0,0|1,0,0]=3 17116 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,1,0,1,0,0|1,0,0]=3 17117 B13R1.84 C=CCCOC1CCCCC1CN 34a_100011216029_100000754431 [0,1,0,1,0,0|1,0,0]=3 17118 B13R1.84 C=CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000754431 [0,1,0,1,0,0|2,0,0]=4 17119 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000754431 [0,1,0,1,0,0|1,0,0]=3 17120 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000754431 [0,1,0,1,0,0|1,0,0]=3 17121 B13R1.84 C=CCNCC1CCCCN1CC 2230a_100000754393_100000210623 [0,1,0,1,0,0|2,0,0]=4 17122 B13R1.84 C=CCNCC1CCCCN1CC 34a_100000754393_100015514636 [0,1,0,1,0,0|2,0,0]=4 17123 B13R1.84 C=CCOCC1CCCCN1CC 34a_100000225091_100015514636 [0,1,0,1,0,0|2,0,0]=4 17124 B13R1.84 C=CCOCC1CCCCN1CC 7a_100000225091_100015514636 [0,1,0,1,0,0|2,0,0]=4 17125 B13R1.84 C=COCCN1CCCCC1CC 2230a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 17126 B13R1.84 C=COCCN1CCCCC1CC 269982a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 17127 B13R1.84 C=COCCN1CCCCC1CC 34a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 17128 B13R1.84 C=COCCN1CCCCC1CO 2230a_100000210821_100000039644 [0,1,0,1,0,0|1,0,0]=3 17129 B13R1.84 C=COCCN1CCCCC1CO 269982a_100000210821_100000039644 [0,1,0,1,0,0|1,0,0]=3 17130 B13R1.84 C=COCCN1CCCCC1CO 34a_100000210821_100000039644 [0,1,0,1,0,0|1,0,0]=3 17131 B13R1.84 C=COCCN1CCOC[C@H]1CO 2230a_100000717676_100000039644 [0,1,0,1,0,0|2,0,0]=4 17132 B13R1.84 C=COCCN1CCOC[C@H]1CO 269982a_100000717676_100000039644 [0,1,0,1,0,0|2,0,0]=4 17133 B13R1.84 C=COCCN1CCOC[C@H]1CO 34a_100000717676_100000039644 [0,1,0,1,0,0|2,0,0]=4 17134 B13R1.84 CC=CCNC1CCOCC1CO 2230a_214813039666_100000070051 [0,1,0,1,0,0|2,0,0]=4 17135 B13R1.84 CC=CCNC1CCOCC1CO 34a_214813039666_100000070051 [0,1,0,1,0,0|2,0,0]=4 17136 B13R1.84 CC=CCOC1CCCCC1CC 34a_100000210738_100000070051 [0,1,0,1,0,0|2,0,0]=4 17137 B13R1.84 CC=CCOC1CCCCC1CC 7a_100000210738_100000070051 [0,1,0,1,0,0|2,0,0]=4 17138 B13R1.84 CC=CCOC1CCCCC1CN 34a_100011216029_100000070051 [0,1,0,1,0,0|2,0,0]=4 17139 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 17140 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 17141 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [0,1,0,1,0,0|0,0,2]=4 17142 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [0,1,0,1,0,0|0,0,2]=4 17143 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,1,0,1,0,0|2,0,0]=4 17144 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,1,0,1,0,0|2,0,0]=4 17145 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 17146 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 17147 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [0,1,0,1,0,0|0,0,2]=4 17148 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [0,1,0,1,0,0|0,0,2]=4 17149 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [0,1,0,1,0,0|0,0,2]=4 17150 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [0,1,0,1,0,0|0,0,2]=4 17151 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [0,1,0,1,0,0|0,0,2]=4 17152 B13R1.84 CNCCCN1CCCCC1CO 34a_200011473794_200000210301 [0,1,0,1,0,0|1,0,1]=4 17153 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCCO 34a_100000708425_100000230001 [0,1,0,1,0,0|1,0,1]=4 17154 B13R1.84 COC1CCCCC1NCCCO 270004a_100000182051_100000740605 [0,1,0,1,0,0|1,0,1]=4 17155 B13R1.84 COC1CCCCC1NCCCO 34a_100011208099_100000230001 [0,1,0,1,0,0|1,0,1]=4 17156 B13R1.84 COCCCN1CCCCC1CO 2230a_100000210821_100000740836 [0,1,0,1,0,0|1,0,1]=4 17157 B13R1.84 COCCCN1CCCCC1CO 269982a_100000210821_100000740836 [0,1,0,1,0,0|1,0,1]=4 17158 B13R1.84 COCCCN1CCCCC1CO 34a_100000210821_100000740836 [0,1,0,1,0,0|1,0,1]=4 17159 B13R1.84 COCCNC1CCCCC1CO 270004a_100000209980_100009861125 [0,1,0,1,0,0|1,0,1]=4 17160 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 34a_200009815850_100000230001 [0,1,0,1,0,0|1,0,1]=4 17161 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 7a_200009815850_100011215043 [0,1,0,1,0,0|1,0,1]=4 17162 B13R1.84 CSCCNC1CCCCC1CO 270004a_100020590264_100009861125 [0,1,0,1,0,0|1,0,1]=4 17163 B13R1.84 N#CC1CCCCN1CCCCO 34a_100016989756_100011216708 [0,1,0,1,0,0|1,0,1]=4 17164 B13R1.84 N#CCCCN1CCCCC1CO 2230a_100000210821_100000687738 [0,1,0,1,0,0|1,0,1]=4 17165 B13R1.84 N#CCCCN1CCCCC1CO 269982a_100000210821_100000687738 [0,1,0,1,0,0|1,0,1]=4 17166 B13R1.84 N#CCCNC1CCCCC1CO 270004a_100000720768_100009861125 [0,1,0,1,0,0|1,0,1]=4 17167 B13R1.84 NCC1CCCCC1OCCCO 34a_100011216029_100000230001 [0,1,0,1,0,0|1,0,1]=4 17168 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,1,0,1,0,0|1,0,0]=3 17169 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,1,0,1,0,0|1,0,0]=3 17170 B13R1.84 O=CCCCN1CCOC[C@H]1CO 2230a_100000717676_200011292268 [0,1,0,1,0,0|2,0,0]=4 17171 B13R1.84 O=CCCCN1CCOC[C@H]1CO 269982a_100000717676_200011292268 [0,1,0,1,0,0|2,0,0]=4 17172 B13R1.84 OCC1CCCCC1NCCCF 270004a_100015189416_100009861125 [0,1,0,1,0,0|1,0,1]=4 17173 B13R1.84 OCC1CCCCN1CCCCF 2230a_100000210821_100000729493 [0,1,0,1,0,0|1,0,1]=4 17174 B13R1.84 OCC1CCCCN1CCCCF 269982a_100000210821_100000729493 [0,1,0,1,0,0|1,0,1]=4 17175 B13R1.84 OCC1CCCCN1CCCCF 34a_100000210821_100000729493 [0,1,0,1,0,0|1,0,1]=4 17176 B13R1.84 OCCCCN1CCCCC1CO 2230a_100000210821_100000210776 [0,1,0,1,0,0|1,0,1]=4 17177 B13R1.84 OCCCCN1CCCCC1CO 269982a_100000210821_100000210776 [0,1,0,1,0,0|1,0,1]=4 17178 B13R1.84 OCCCCN1CCCCC1CO 34a_100000210821_100011216708 [0,1,0,1,0,0|1,0,1]=4 17179 B13R1.84 OCCCNC1CCCCC1CO 270004a_100000182051_100009861125 [0,1,0,1,0,0|1,0,1]=4 17180 B13R1.84 [13CH3]NCCCN1CCCCC1CO 34a_200011473794_200025704644 [0,1,0,1,0,0|1,0,1]=4 17181 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 17182 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 17183 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 34a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 17184 B13R1.137 C=CCCCCN1CCCC1C#N 2230a_100000701862_100011215482 [0,1,0,1,0,0|1,0,1]=4 17185 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 17186 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 17187 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 17188 B13R1.137 C=CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100011215482 [0,1,0,1,0,0|1,0,1]=4 17189 B13R1.137 C=CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100011215482 [0,1,0,1,0,0|1,0,1]=4 17190 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215482 [0,1,0,1,0,0|0,0,0]=2 17191 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215482 [0,1,0,1,0,0|0,0,0]=2 17192 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215482 [0,1,0,1,0,0|0,0,0]=2 17193 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,1,0,1,0,0|1,0,0]=3 17194 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,1,0,1,0,0|1,0,0]=3 17195 B13R1.137 C=CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000757094 [0,1,0,1,0,0|1,0,1]=4 17196 B13R1.137 C=CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000757094 [0,1,0,1,0,0|1,0,1]=4 17197 B13R1.137 C=CCCNCC1CCCN1CC 2230a_100000211693_100000754431 [0,1,0,1,0,0|2,0,0]=4 17198 B13R1.137 C=CCCOC[C@H]1CCCN1CC 34a_100011739246_100000754431 [0,1,0,1,0,0|2,0,0]=4 17199 B13R1.137 C=CCCOC[C@H]1CCCN1CC 7a_100011739246_100000754431 [0,1,0,1,0,0|2,0,0]=4 17200 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 17201 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 17202 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,1,0,1,0,0|2,0,0]=4 17203 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,1,0,1,0,0|2,0,0]=4 17204 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 17205 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 17206 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 17207 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 17208 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [0,1,0,1,0,0|0,0,2]=4 17209 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 17210 B13R1.137 COCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000730899 [0,1,0,1,0,0|1,0,1]=4 17211 B13R1.137 COCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000730899 [0,1,0,1,0,0|1,0,1]=4 17212 B13R1.137 COCCCCN1CCC[C@@H]1CO 34a_100000745186_100000755781 [0,1,0,1,0,0|1,0,1]=4 17213 B13R1.137 N#CC1CCCN1CCCCCO 2230a_100000701862_100000746330 [0,1,0,1,0,0|1,0,1]=4 17214 B13R1.137 N#CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000211819 [0,1,0,1,0,0|1,0,1]=4 17215 B13R1.137 N#CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011219923 [0,1,0,1,0,0|1,0,1]=4 17216 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCCO 34a_100011907464_100011216708 [0,1,0,1,0,0|1,0,1]=4 17217 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCCO 7a_100011907464_100000210776 [0,1,0,1,0,0|1,0,1]=4 17218 B13R1.137 N#C[C@H]1CCCN1CCCCCO 2230a_106645074975_100000746330 [0,1,0,1,0,0|1,0,1]=4 17219 B13R1.137 N#C[C@H]1CCCN1CCCCCO 269982a_106645074975_100000746330 [0,1,0,1,0,0|1,0,1]=4 17220 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,1,0,1,0,0|1,0,0]=3 17221 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,1,0,1,0,0|1,0,0]=3 17222 B13R1.137 OCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000746330 [0,1,0,1,0,0|1,0,1]=4 17223 B13R1.137 OCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000746330 [0,1,0,1,0,0|1,0,1]=4 17224 B13R1.137 OCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000746330 [0,1,0,1,0,0|1,0,1]=4 17225 B13R1.137 OC[C@H]1CCCN1CCCCCF 2230a_100000745186_100000729378 [0,1,0,1,0,0|1,0,1]=4 17226 B13R1.137 OC[C@H]1CCCN1CCCCCF 269982a_100000745186_100000729378 [0,1,0,1,0,0|1,0,1]=4 17227 B13R1.137 OC[C@H]1CCCN1CCCCCF 34a_100000745186_100000729378 [0,1,0,1,0,0|1,0,1]=4 17228 B13R1.192 C=CCCCCN1CCC1COC 2230a_100015195929_100011215482 [0,1,0,1,0,0|1,0,0]=3 17229 B13R1.192 C=CCCCCN1CCC1COC 269982a_100015195929_100011215482 [0,1,0,1,0,0|1,0,0]=3 17230 B13R1.192 C=CCCCCN1CCC1COC 34a_100015195929_100011215482 [0,1,0,1,0,0|1,0,0]=3 17231 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [0,1,0,1,0,0|2,0,0]=4 17232 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [0,1,0,1,0,0|2,0,0]=4 17233 B13R1.192 COCC1CCN1CCCCCO 2230a_100015195929_100000746330 [0,1,0,1,0,0|1,0,1]=4 17234 B13R1.192 COCC1CCN1CCCCCO 269982a_100015195929_100000746330 [0,1,0,1,0,0|1,0,1]=4 17235 B13R1.192 COCC1CCN1CCCCCO 34a_100015195929_100000746330 [0,1,0,1,0,0|1,0,1]=4 17236 B13R1.485 C#CCCN1CCCCC1CCO 2230a_100000211664_100000688953 [0,1,0,1,0,0|0,0,2]=4 17237 B13R1.485 C#CCCN1CCCCC1CCO 269982a_100000211664_100000730999 [0,1,0,1,0,0|0,0,2]=4 17238 B13R1.485 C#CCCN1CCCCC1CCO 34a_100000211664_100000688953 [0,1,0,1,0,0|0,0,2]=4 17239 B13R1.485 C#CCN1CCCCC1CCCO 2230a_100011934581_100000038162 [0,1,0,1,0,0|0,0,2]=4 17240 B13R1.485 C#CCN1CCCCC1CCCO 34a_100011934581_100000184674 [0,1,0,1,0,0|0,0,2]=4 17241 B13R1.485 C/C=C/CN1CCCCC1CCC 269982a_100000701414_100102629194 [0,1,0,1,0,0|2,0,0]=4 17242 B13R1.485 C/C=C/CN1CCCCC1CCC 34a_100000701414_100102629194 [0,1,0,1,0,0|2,0,0]=4 17243 B13R1.485 C/C=C/CN1CCCCC1CCO 269982a_100000211664_100102629194 [0,1,0,1,0,0|1,0,0]=3 17244 B13R1.485 C/C=C/CN1CCCCC1CCO 34a_100000211664_100102629194 [0,1,0,1,0,0|1,0,0]=3 17245 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,1,0,1,0,0|1,0,0]=3 17246 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,1,0,1,0,0|1,0,0]=3 17247 B13R1.485 C=CCC1CCCCC1NCCF 269862a_100000724931_100011214939 [0,1,0,1,0,0|1,0,0]=3 17248 B13R1.485 C=CCC1CCCCC1NCCO 269862a_100000210304_100011214939 [0,1,0,1,0,0|0,0,0]=2 17249 B13R1.485 C=CCC1CCCCC1NCCO 270004a_100000210304_100011214939 [0,1,0,1,0,0|0,0,0]=2 17250 B13R1.485 C=CCCN1CCCCC1CC#N 2230a_100000133382_100000754431 [0,1,0,1,0,0|1,0,1]=4 17251 B13R1.485 C=CCCN1CCCCC1CC#N 34a_100000133382_100000754431 [0,1,0,1,0,0|1,0,1]=4 17252 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 17253 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 17254 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 17255 B13R1.485 C=CCCN1CCCCC1CCO 2230a_100000211664_100000754431 [0,1,0,1,0,0|0,0,0]=2 17256 B13R1.485 C=CCCN1CCCCC1CCO 269982a_100000211664_100000754431 [0,1,0,1,0,0|0,0,0]=2 17257 B13R1.485 C=CCCN1CCCCC1CCO 34a_100000211664_100000754431 [0,1,0,1,0,0|0,0,0]=2 17258 B13R1.485 C=CCCN1CCCCC1COC 2230a_100015184032_100000754431 [0,1,0,1,0,0|1,0,0]=3 17259 B13R1.485 C=CCCN1CCCCC1COC 269982a_100015184032_100000754431 [0,1,0,1,0,0|1,0,0]=3 17260 B13R1.485 C=CCCN1CCCCC1COC 34a_100015184032_100000754431 [0,1,0,1,0,0|1,0,0]=3 17261 B13R1.485 C=CCCN1CCOCC1CCC 2230a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 17262 B13R1.485 C=CCCN1CCOCC1CCC 269982a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 17263 B13R1.485 C=CCCN1CCOCC1CCC 34a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 17264 B13R1.485 C=CCCN1CCOC[C@@H]1COC 2230a_100016989928_100000754431 [0,1,0,1,0,0|2,0,0]=4 17265 B13R1.485 C=CCCN1CCOC[C@@H]1COC 269982a_100016989928_100000754431 [0,1,0,1,0,0|2,0,0]=4 17266 B13R1.485 C=CCCN1CCOC[C@@H]1COC 34a_100016989928_100000754431 [0,1,0,1,0,0|2,0,0]=4 17267 B13R1.485 C=CCN1CCCCC1CCCO 2230a_100011934581_100000210623 [0,1,0,1,0,0|0,0,0]=2 17268 B13R1.485 C=CCN1CCCCC1CCCO 269982a_100011934581_100000210623 [0,1,0,1,0,0|0,0,0]=2 17269 B13R1.485 C=CCN1CCCCC1CCCO 34a_100011934581_100015514636 [0,1,0,1,0,0|0,0,0]=2 17270 B13R1.485 C=CCN1CCCCC1CCOC 2230a_100015186528_100000210623 [0,1,0,1,0,0|1,0,0]=3 17271 B13R1.485 C=CCN1CCCCC1CCOC 269982a_100015186528_100000210623 [0,1,0,1,0,0|1,0,0]=3 17272 B13R1.485 C=CCN1CCCCC1CCOC 34a_100015186528_100015514636 [0,1,0,1,0,0|1,0,0]=3 17273 B13R1.485 C=CCNC1CCCCC1CC#N 270004a_100020586998_100009866218 [0,1,0,1,0,0|1,0,1]=4 17274 B13R1.485 C=CCNC1CCCCC1CC=C 270004a_100020586998_100011214939 [0,1,0,1,0,0|1,0,1]=4 17275 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,1,0,1,0,0|1,0,0]=3 17276 B13R1.485 C=CCNC1CCCCC1OCC 270004a_100020586998_200000031474 [0,1,0,1,0,0|2,0,0]=4 17277 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,1,0,1,0,0|1,0,0]=3 17278 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,1,0,1,0,0|1,0,0]=3 17279 B13R1.485 CC=CCN1CCCCC1CCC 2230a_100000701414_100000070051 [0,1,0,1,0,0|2,0,0]=4 17280 B13R1.485 CC=CCN1CCCCC1CCC 34a_100000701414_100000070051 [0,1,0,1,0,0|2,0,0]=4 17281 B13R1.485 CC=CCN1CCCCC1CCO 2230a_100000211664_100000070051 [0,1,0,1,0,0|1,0,0]=3 17282 B13R1.485 CC=CCN1CCCCC1CCO 34a_100000211664_100000070051 [0,1,0,1,0,0|1,0,0]=3 17283 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 17284 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 17285 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,1,0,1,0,0|2,0,0]=4 17286 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,1,0,1,0,0|2,0,0]=4 17287 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 17288 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 17289 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 17290 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [0,1,0,1,0,0|0,0,2]=4 17291 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 17292 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 17293 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 17294 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [0,1,0,1,0,0|0,0,2]=4 17295 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 17296 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 17297 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 17298 B13R1.485 COCC1CCCCN1CCCO 2230a_100015184032_100000230001 [0,1,0,1,0,0|1,0,1]=4 17299 B13R1.485 COCC1CCCCN1CCCO 269982a_100015184032_100011215043 [0,1,0,1,0,0|1,0,1]=4 17300 B13R1.485 COCC1CCCCN1CCCO 34a_100015184032_100000230001 [0,1,0,1,0,0|1,0,1]=4 17301 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [0,1,0,1,0,0|2,0,0]=4 17302 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [0,1,0,1,0,0|2,0,0]=4 17303 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [0,1,0,1,0,0|2,0,0]=4 17304 B13R1.485 COCCC1CCCCN1CCO 2230a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 17305 B13R1.485 COCCC1CCCCN1CCO 269982a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 17306 B13R1.485 COCCC1CCCCN1CCO 34a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 17307 B13R1.485 COCCN1CCCCC1CCO 2230a_100000211664_100011201679 [0,1,0,1,0,0|1,0,1]=4 17308 B13R1.485 COCCN1CCCCC1CCO 269982a_100000211664_100000233755 [0,1,0,1,0,0|1,0,1]=4 17309 B13R1.485 COCCN1CCCCC1CCO 34a_100000211664_100011201679 [0,1,0,1,0,0|1,0,1]=4 17310 B13R1.485 COCN1CCCCC1CCCO 2230a_100011934581_100000766300 [0,1,0,1,0,0|1,0,1]=4 17311 B13R1.485 COCN1CCCCC1CCCO 269982a_100011934581_100000766300 [0,1,0,1,0,0|1,0,1]=4 17312 B13R1.485 CSCCN1CCCCC1CCO 2230a_100000211664_100000751147 [0,1,0,1,0,0|1,0,1]=4 17313 B13R1.485 CSCCN1CCCCC1CCO 269982a_100000211664_100000212216 [0,1,0,1,0,0|1,0,1]=4 17314 B13R1.485 CSCCN1CCCCC1CCO 34a_100000211664_100000212216 [0,1,0,1,0,0|1,0,1]=4 17315 B13R1.485 CSCN1CCCCC1CCCO 2230a_100011934581_100011218213 [0,1,0,1,0,0|1,0,1]=4 17316 B13R1.485 CSCN1CCCCC1CCCO 269982a_100011934581_100011218213 [0,1,0,1,0,0|1,0,1]=4 17317 B13R1.485 CSCN1CCCCC1CCCO 34a_100011934581_100011218213 [0,1,0,1,0,0|1,0,1]=4 17318 B13R1.485 N#CCC1CCCCC1NCCO 270004a_100000210304_100009866218 [0,1,0,1,0,0|1,0,1]=4 17319 B13R1.485 N#CCC1CCCCN1CCCO 2230a_100000133382_100000230001 [0,1,0,1,0,0|1,0,1]=4 17320 B13R1.485 N#CCC1CCCCN1CCCO 34a_100000133382_100000230001 [0,1,0,1,0,0|1,0,1]=4 17321 B13R1.485 N#CCCN1CCCCC1CCO 2230a_100000211664_100011215226 [0,1,0,1,0,0|1,0,1]=4 17322 B13R1.485 N#CCCN1CCCCC1CCO 269982a_100000211664_100011215226 [0,1,0,1,0,0|1,0,1]=4 17323 B13R1.485 N#CCN1CCCCC1CCCO 2230a_100011934581_100011215382 [0,1,0,1,0,0|1,0,1]=4 17324 B13R1.485 N#CCN1CCCCC1CCCO 269982a_100011934581_100011214920 [0,1,0,1,0,0|1,0,1]=4 17325 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,1,0,1,0,0|1,0,0]=3 17326 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,1,0,1,0,0|1,0,0]=3 17327 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,0]=3 17328 B13R1.485 OCCC1CCCCN1CCCF 2230a_100000211664_100011934791 [0,1,0,1,0,0|1,0,1]=4 17329 B13R1.485 OCCC1CCCCN1CCCF 269982a_100000211664_100011934791 [0,1,0,1,0,0|1,0,1]=4 17330 B13R1.485 OCCC1CCCCN1CCCF 34a_100000211664_100011934791 [0,1,0,1,0,0|1,0,1]=4 17331 B13R1.485 OCCCC1CCCCN1CCF 2230a_100011934581_100011217306 [0,1,0,1,0,0|1,0,1]=4 17332 B13R1.485 OCCCC1CCCCN1CCF 269982a_100011934581_100011217306 [0,1,0,1,0,0|1,0,1]=4 17333 B13R1.485 OCCCC1CCCCN1CCF 34a_100011934581_100011217306 [0,1,0,1,0,0|1,0,1]=4 17334 B13R1.485 OCCCC1CCCCN1CCO 2230a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 17335 B13R1.485 OCCCC1CCCCN1CCO 269982a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 17336 B13R1.485 OCCCC1CCCCN1CCO 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 17337 B13R1.485 OCCCN1CCCCC1CCO 2230a_100000211664_100000230001 [0,1,0,1,0,0|1,0,1]=4 17338 B13R1.485 OCCCN1CCCCC1CCO 269982a_100000211664_100011215043 [0,1,0,1,0,0|1,0,1]=4 17339 B13R1.485 OCCCN1CCCCC1CCO 34a_100000211664_100000230001 [0,1,0,1,0,0|1,0,1]=4 17340 B13R1.489 C/C=C/CN1CCCCCCCC1 269982a_100000039187_100102629194 [0,1,0,1,0,0|2,0,0]=4 17341 B13R1.489 C/C=C/CN1CCCCCCCC1 34a_100000039187_100102629194 [0,1,0,1,0,0|2,0,0]=4 17342 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 17343 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 17344 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 17345 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,1,0,1,0,0|1,0,0]=3 17346 B13R1.489 CC=CCN1CCCCCCCC1 2230a_100000039187_100000070051 [0,1,0,1,0,0|2,0,0]=4 17347 B13R1.489 CC=CCN1CCCCCCCC1 34a_100000039187_100000070051 [0,1,0,1,0,0|2,0,0]=4 17348 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 17349 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [0,1,0,1,0,0|0,0,2]=4 17350 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 17351 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [0,1,0,1,0,0|0,0,2]=4 17352 B13R1.555 C#CCCCNC1CCCCC1O 34a_100000718082_100000038908 [0,1,0,1,0,0|0,0,2]=4 17353 B13R1.555 C#CCCCOC1CCCCC1O 34a_100000215630_100000038908 [0,1,0,1,0,0|0,0,2]=4 17354 B13R1.555 C#CCCCSC1CCCCC1O 62a_100000038908_100011215417 [0,1,0,1,0,0|0,0,2]=4 17355 B13R1.555 C#CCCCSC1CCCCC1O 62a_100011215417_100000038908 [0,1,0,1,0,0|0,0,2]=4 17356 B13R1.555 C#CCCNCC1CCCCC1O 34a_100011216029_100000688953 [0,1,0,1,0,0|0,0,2]=4 17357 B13R1.555 C/C=C/CCOC1CCCCC1F 34a_100016278192_100015423560 [0,1,0,1,0,0|2,0,0]=4 17358 B13R1.555 C/C=C/CCOC1CCCCC1O 34a_100016278192_100000038908 [0,1,0,1,0,0|1,0,0]=3 17359 B13R1.555 C/C=C/CNCC1CCCCC1O 34a_100011216029_100102629194 [0,1,0,1,0,0|1,0,0]=3 17360 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 17361 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 17362 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 17363 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 17364 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 17365 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 34a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 17366 B13R1.555 C=CCCCNC1CCCCC1=O 34a_100000700776_100000754470 [0,1,0,1,0,0|0,0,2]=4 17367 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,1,0,1,0,0|1,0,0]=3 17368 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,1,0,1,0,0|1,0,0]=3 17369 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,1,0,1,0,0|1,0,0]=3 17370 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,1,0,1,0,0|1,0,0]=3 17371 B13R1.555 C=CCCCNC1CCCCC1F 34a_100000700776_100015423560 [0,1,0,1,0,0|1,0,0]=3 17372 B13R1.555 C=CCCCNC1CCCCC1O 34a_100000700776_100000038908 [0,1,0,1,0,0|0,0,0]=2 17373 B13R1.555 C=CCCCNC1CCNCC1C 270004a_100000700776_100000703950 [0,1,0,1,0,0|2,0,0]=4 17374 B13R1.555 C=CCCCNC1CCOCC1C 270004a_100000700776_100000755695 [0,1,0,1,0,0|2,0,0]=4 17375 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011713584 [0,1,0,1,0,0|1,0,0]=3 17376 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000757094 [0,1,0,1,0,0|1,0,0]=3 17377 B13R1.555 C=CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011713584 [0,1,0,1,0,0|1,0,0]=3 17378 B13R1.555 C=CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100011713584 [0,1,0,1,0,0|2,0,0]=4 17379 B13R1.555 C=CCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000757094 [0,1,0,1,0,0|2,0,0]=4 17380 B13R1.555 C=CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011713584 [0,1,0,1,0,0|1,0,0]=3 17381 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100000758997_100000754470 [0,1,0,1,0,0|0,0,2]=4 17382 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100011214950_100000757094 [0,1,0,1,0,0|0,0,2]=4 17383 B13R1.555 C=CCCCOC1CCCCC1=O 7a_100000758997_100000204591 [0,1,0,1,0,0|0,0,2]=4 17384 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,1,0,1,0,0|1,0,0]=3 17385 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,1,0,1,0,0|1,0,0]=3 17386 B13R1.555 C=CCCCOC1CCCCC1Cl 34a_100000038908_100000757094 [0,1,0,1,0,0|1,0,0]=3 17387 B13R1.555 C=CCCCOC1CCCCC1Cl 7a_100000038908_100000757094 [0,1,0,1,0,0|1,0,0]=3 17388 B13R1.555 C=CCCCOC1CCCCC1F 34a_100000758997_100015423560 [0,1,0,1,0,0|1,0,0]=3 17389 B13R1.555 C=CCCCOC1CCCCC1O 34a_100000758997_100000038908 [0,1,0,1,0,0|0,0,0]=2 17390 B13R1.555 C=CCCCOC1CCNCC1C 34a_100011998114_100000757094 [0,1,0,1,0,0|2,0,0]=4 17391 B13R1.555 C=CCCCOC1CNCCC1C 34a_100000696640_100000757094 [0,1,0,1,0,0|2,0,0]=4 17392 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000757094 [0,1,0,1,0,0|1,0,0]=3 17393 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000757094 [0,1,0,1,0,0|1,0,0]=3 17394 B13R1.555 C=CCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000757094 [0,1,0,1,0,0|2,0,0]=4 17395 B13R1.555 C=CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000757094 [0,1,0,1,0,0|1,0,0]=3 17396 B13R1.555 C=CCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000757094 [0,1,0,1,0,0|2,0,0]=4 17397 B13R1.555 C=CCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000757094 [0,1,0,1,0,0|2,0,0]=4 17398 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100000204591_100000757094 [0,1,0,1,0,0|0,0,2]=4 17399 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100011713584_100000204591 [0,1,0,1,0,0|0,0,2]=4 17400 B13R1.555 C=CCCCSC1CCCCC1F 62a_100011713584_100015423560 [0,1,0,1,0,0|1,0,0]=3 17401 B13R1.555 C=CCCCSC1CCCCC1F 62a_100015423560_100000757094 [0,1,0,1,0,0|1,0,0]=3 17402 B13R1.555 C=CCCCSC1CCCCC1O 62a_100000038908_100000757094 [0,1,0,1,0,0|0,0,0]=2 17403 B13R1.555 C=CCCCSC1CCCCC1O 62a_100011713584_100000038908 [0,1,0,1,0,0|0,0,0]=2 17404 B13R1.555 C=CCCNCC1CCCCC1O 34a_100011216029_100000754431 [0,1,0,1,0,0|0,0,0]=2 17405 B13R1.555 C=CCCNCC1CCCCN1C 34a_100011228421_100000754431 [0,1,0,1,0,0|2,0,0]=4 17406 B13R1.555 C=CCCOCC1CCCCC1=O 34a_100009861125_100000754431 [0,1,0,1,0,0|0,0,2]=4 17407 B13R1.555 C=CCCOCC1CCCCC1=O 7a_100009861125_100000754431 [0,1,0,1,0,0|0,0,2]=4 17408 B13R1.555 C=CCCOCC1CCCCN1C 34a_100000225079_100000754431 [0,1,0,1,0,0|2,0,0]=4 17409 B13R1.555 C=CCCOCC1CCCCN1C 34a_100011205117_100015186950 [0,1,0,1,0,0|2,0,0]=4 17410 B13R1.555 C=CCCOCC1COCCC1N 34a_214813039666_100000754431 [0,1,0,1,0,0|2,0,0]=4 17411 B13R1.555 C=CCCSCC1CCCCN1C 62a_100000754431_100015185383 [0,1,0,1,0,0|2,0,0]=4 17412 B13R1.555 C=CCCSCC1CCCCN1C 62a_100015185383_100000754431 [0,1,0,1,0,0|2,0,0]=4 17413 B13R1.555 C=CCNCCC1CCCCN1C 2230a_100020586998_100000211948 [0,1,0,1,0,0|2,0,0]=4 17414 B13R1.555 C=CCNCCN1CCCCC1C 2230a_100000739827_100000210623 [0,1,0,1,0,0|2,0,0]=4 17415 B13R1.555 C=CCNCCN1CCCCC1C 34a_100000739827_100015514636 [0,1,0,1,0,0|2,0,0]=4 17416 B13R1.555 C=CCOCCC1CCCCN1C 34a_200000210373_100000211948 [0,1,0,1,0,0|2,0,0]=4 17417 B13R1.555 C=CCOCCN1CCCCC1C 34a_100011305533_100015514636 [0,1,0,1,0,0|2,0,0]=4 17418 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000210623_100000211948 [0,1,0,1,0,0|2,0,0]=4 17419 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000211948_100000210623 [0,1,0,1,0,0|2,0,0]=4 17420 B13R1.555 C=COCCNC1CCCCC1C 2230a_100000211402_100000039644 [0,1,0,1,0,0|2,0,0]=4 17421 B13R1.555 C=COCCNC1CCCCC1C 34a_100000211402_100000039644 [0,1,0,1,0,0|2,0,0]=4 17422 B13R1.555 C=COCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000039644 [0,1,0,1,0,0|2,0,0]=4 17423 B13R1.555 C=COCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000039644 [0,1,0,1,0,0|2,0,0]=4 17424 B13R1.555 C=COCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000039644 [0,1,0,1,0,0|2,0,0]=4 17425 B13R1.555 C=COCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000039644 [0,1,0,1,0,0|2,0,0]=4 17426 B13R1.555 C=COCCOC1CCCCC1C 34a_100000211207_100000039644 [0,1,0,1,0,0|2,0,0]=4 17427 B13R1.555 C=COCCOC1CCCCC1C 7a_100000211207_100000039644 [0,1,0,1,0,0|2,0,0]=4 17428 B13R1.555 C=COCCOC1CCCCC1Cl 34a_100000038908_100000039644 [0,1,0,1,0,0|2,0,0]=4 17429 B13R1.555 C=COCCOC1CCCCC1Cl 7a_100000038908_100000039644 [0,1,0,1,0,0|2,0,0]=4 17430 B13R1.555 C=COCCOC1CCCCC1F 34a_100000033082_100015423560 [0,1,0,1,0,0|2,0,0]=4 17431 B13R1.555 C=COCCOC1CCCCC1O 34a_100000033082_100000038908 [0,1,0,1,0,0|1,0,0]=3 17432 B13R1.555 C=COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000039644 [0,1,0,1,0,0|2,0,0]=4 17433 B13R1.555 C=COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000039644 [0,1,0,1,0,0|2,0,0]=4 17434 B13R1.555 C=COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000039644 [0,1,0,1,0,0|2,0,0]=4 17435 B13R1.555 C=COCCSC1CCCCC1F 62a_100000039644_100015423560 [0,1,0,1,0,0|2,0,0]=4 17436 B13R1.555 C=COCCSC1CCCCC1F 62a_100015423560_100000039644 [0,1,0,1,0,0|2,0,0]=4 17437 B13R1.555 C=COCCSC1CCCCC1O 62a_100000038908_100000039644 [0,1,0,1,0,0|1,0,0]=3 17438 B13R1.555 C=COCCSC1CCCCC1O 62a_100000039644_100000038908 [0,1,0,1,0,0|1,0,0]=3 17439 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,1,0,1,0,0|2,0,0]=4 17440 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [0,1,0,1,0,0|0,0,2]=4 17441 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 17442 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 17443 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [0,1,0,1,0,0|0,0,2]=4 17444 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,1,0,1,0,0|2,0,0]=4 17445 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [0,1,0,1,0,0|0,0,2]=4 17446 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [0,1,0,1,0,0|0,0,2]=4 17447 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,1,0,1,0,0|2,0,0]=4 17448 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,1,0,1,0,0|2,0,0]=4 17449 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 17450 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 17451 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 17452 B13R1.555 CC=CCNCC1CCCCC1O 34a_100011216029_100000070051 [0,1,0,1,0,0|1,0,0]=3 17453 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,1,0,1,0,0|2,0,0]=4 17454 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,1,0,1,0,0|2,0,0]=4 17455 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,1,0,1,0,0|2,0,0]=4 17456 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [0,1,0,1,0,0|0,0,2]=4 17457 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,1,0,1,0,0|2,0,0]=4 17458 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,1,0,1,0,0|2,0,0]=4 17459 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [0,1,0,1,0,0|0,0,2]=4 17460 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [0,1,0,1,0,0|0,0,2]=4 17461 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [0,1,0,1,0,0|0,0,2]=4 17462 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,1,0,1,0,0|2,0,0]=4 17463 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,1,0,1,0,0|2,0,0]=4 17464 B13R1.555 CN1CCCCC1CCNCCO 2230a_100016997473_100000211948 [0,1,0,1,0,0|1,0,1]=4 17465 B13R1.555 CN1CCCCC1CCNCCO 34a_100016990907_100000211948 [0,1,0,1,0,0|1,0,1]=4 17466 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211926_100000211948 [0,1,0,1,0,0|1,0,1]=4 17467 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211948_100000211926 [0,1,0,1,0,0|1,0,1]=4 17468 B13R1.555 CN1CCCCC1CNCCCO 34a_100011228421_100000230001 [0,1,0,1,0,0|1,0,1]=4 17469 B13R1.555 CN1CCCCC1COCCCO 34a_100000225079_100000230001 [0,1,0,1,0,0|1,0,1]=4 17470 B13R1.555 CN1CCCCC1CSCCCO 62a_100011215043_100015185383 [0,1,0,1,0,0|1,0,1]=4 17471 B13R1.555 CN1CCCCC1CSCCCO 62a_100015185383_100011215043 [0,1,0,1,0,0|1,0,1]=4 17472 B13R1.555 CNCCCOC1CCCCC1O 34a_100000213112_100000038908 [0,1,0,1,0,0|1,0,1]=4 17473 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [0,1,0,1,0,0|2,0,0]=4 17474 B13R1.555 COCCCNC1CCCCC1O 34a_100150723488_100000038908 [0,1,0,1,0,0|1,0,1]=4 17475 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [0,1,0,1,0,0|2,0,0]=4 17476 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [0,1,0,1,0,0|2,0,0]=4 17477 B13R1.555 COCCCOC1CCCCC1O 34a_100000740835_100000038908 [0,1,0,1,0,0|1,0,1]=4 17478 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [0,1,0,1,0,0|2,0,0]=4 17479 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [0,1,0,1,0,0|2,0,0]=4 17480 B13R1.555 COCCCSC1CCCCC1O 62a_100000038908_100000709357 [0,1,0,1,0,0|1,0,1]=4 17481 B13R1.555 COCCCSC1CCCCC1O 62a_100000709357_100000038908 [0,1,0,1,0,0|1,0,1]=4 17482 B13R1.555 COCCNCC1CCCCC1O 34a_100011216029_100011201679 [0,1,0,1,0,0|1,0,1]=4 17483 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,1,0,1,0,0|2,0,0]=4 17484 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,1,0,1,0,0|2,0,0]=4 17485 B13R1.555 CSCCCOC1CCCCC1O 34a_100000690336_100000038908 [0,1,0,1,0,0|1,0,1]=4 17486 B13R1.555 CSCCNCC1CCCCC1O 34a_100011216029_100000212216 [0,1,0,1,0,0|1,0,1]=4 17487 B13R1.555 N#CCCCSC1CCCCC1O 62a_100000038908_100000687738 [0,1,0,1,0,0|1,0,1]=4 17488 B13R1.555 N#CCCCSC1CCCCC1O 62a_100000687738_100000038908 [0,1,0,1,0,0|1,0,1]=4 17489 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [0,1,0,1,0,0|2,0,0]=4 17490 B13R1.555 NCCCCOC1CCCCC1O 34a_100000750430_100000038908 [0,1,0,1,0,0|1,0,1]=4 17491 B13R1.555 N[C@@H]1CCCC[C@@H]1OCCCCO 34a_100015191688_100011216708 [0,1,0,1,0,0|1,0,1]=4 17492 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [0,1,0,1,0,0|2,0,0]=4 17493 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [0,1,0,1,0,0|2,0,0]=4 17494 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,1,0,1,0,0|1,0,0]=3 17495 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,1,0,1,0,0|1,0,0]=3 17496 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,0]=3 17497 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [0,1,0,1,0,0|2,0,0]=4 17498 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [0,1,0,1,0,0|2,0,0]=4 17499 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [0,1,0,1,0,0|2,0,0]=4 17500 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [0,1,0,1,0,0|2,0,0]=4 17501 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [0,1,0,1,0,0|2,0,0]=4 17502 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [0,1,0,1,0,0|2,0,0]=4 17503 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [0,1,0,1,0,0|2,0,0]=4 17504 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,1,0,1,0,0|1,0,0]=3 17505 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [0,1,0,1,0,0|2,0,0]=4 17506 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [0,1,0,1,0,0|2,0,0]=4 17507 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,1,0,1,0,0|1,0,0]=3 17508 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,1,0,1,0,0|1,0,0]=3 17509 B13R1.555 O=C1CCCCN1CCNCCO 2230a_100160573077_100000211926 [0,1,0,1,0,0|2,0,0]=4 17510 B13R1.555 O=C1CCCCN1CCNCCO 34a_100160573077_100000211926 [0,1,0,1,0,0|2,0,0]=4 17511 B13R1.555 O=C1CCOCC1NCCCCO 34a_100000750430_100012180262 [0,1,0,1,0,0|2,0,0]=4 17512 B13R1.555 O=C1CCOCC1SCCCCO 62a_100000210776_100012180262 [0,1,0,1,0,0|2,0,0]=4 17513 B13R1.555 O=C1CCOCC1SCCCCO 62a_100012180262_100000210776 [0,1,0,1,0,0|2,0,0]=4 17514 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000747585_100000210776 [0,1,0,1,0,0|2,0,0]=4 17515 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000750430_100000687798 [0,1,0,1,0,0|2,0,0]=4 17516 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000747585_100011216708 [0,1,0,1,0,0|2,0,0]=4 17517 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000750430_100000687798 [0,1,0,1,0,0|2,0,0]=4 17518 B13R1.555 O=C1NCCCC1OCCCCO 34a_100000073722_100011216708 [0,1,0,1,0,0|2,0,0]=4 17519 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000210776_100000687798 [0,1,0,1,0,0|2,0,0]=4 17520 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000687798_100000210776 [0,1,0,1,0,0|2,0,0]=4 17521 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [0,1,0,1,0,0|2,0,0]=4 17522 B13R1.555 O=CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200011292268 [0,1,0,1,0,0|2,0,0]=4 17523 B13R1.555 O=CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200011292268 [0,1,0,1,0,0|2,0,0]=4 17524 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [0,1,0,1,0,0|2,0,0]=4 17525 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [0,1,0,1,0,0|2,0,0]=4 17526 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [0,1,0,1,0,0|2,0,0]=4 17527 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [0,1,0,1,0,0|2,0,0]=4 17528 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,1,0,1,0,0|1,0,0]=3 17529 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,1,0,1,0,0|1,0,0]=3 17530 B13R1.555 OC1CCCCC1CNCCCF 34a_100011216029_100011934791 [0,1,0,1,0,0|1,0,1]=4 17531 B13R1.555 OC1CCCCC1OCCCCBr 34a_100011216708_100000038908 [0,1,0,1,0,0|1,0,1]=4 17532 B13R1.555 OC1CCCCC1OCCCCCl 34a_100000210776_100000038908 [0,1,0,1,0,0|1,0,1]=4 17533 B13R1.555 OC1CCCCC1OCCCCF 34a_100011995726_100000038908 [0,1,0,1,0,0|1,0,1]=4 17534 B13R1.555 OC1CCCCC1OCCCCI 34a_200012148704_100000038908 [0,1,0,1,0,0|1,0,1]=4 17535 B13R1.555 OC1CCCCC1SCCCCF 62a_100000038908_100000729493 [0,1,0,1,0,0|1,0,1]=4 17536 B13R1.555 OC1CCCCC1SCCCCF 62a_100000729493_100000038908 [0,1,0,1,0,0|1,0,1]=4 17537 B13R1.555 OCCCCNC1CCCCC1F 34a_100000750430_100015423560 [0,1,0,1,0,0|1,0,1]=4 17538 B13R1.555 OCCCCNC1CCCCC1O 34a_100000750430_100000038908 [0,1,0,1,0,0|1,0,1]=4 17539 B13R1.555 OCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210776 [0,1,0,1,0,0|1,0,1]=4 17540 B13R1.555 OCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011216708 [0,1,0,1,0,0|1,0,1]=4 17541 B13R1.555 OCCCCOC1CCCCC1Cl 34a_100000038908_100011216708 [0,1,0,1,0,0|1,0,1]=4 17542 B13R1.555 OCCCCOC1CCCCC1Cl 7a_100000038908_100000210776 [0,1,0,1,0,0|1,0,1]=4 17543 B13R1.555 OCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011216708 [0,1,0,1,0,0|1,0,1]=4 17544 B13R1.555 OCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210776 [0,1,0,1,0,0|1,0,1]=4 17545 B13R1.555 OCCCCSC1CCCCC1F 62a_100000210776_100015423560 [0,1,0,1,0,0|1,0,1]=4 17546 B13R1.555 OCCCCSC1CCCCC1F 62a_100015423560_100000210776 [0,1,0,1,0,0|1,0,1]=4 17547 B13R1.555 OCCCCSC1CCCCC1O 62a_100000038908_100000210776 [0,1,0,1,0,0|1,0,1]=4 17548 B13R1.555 OCCCCSC1CCCCC1O 62a_100000210776_100000038908 [0,1,0,1,0,0|1,0,1]=4 17549 B13R1.555 OCCCNCC1CCCCC1O 34a_100011216029_100000230001 [0,1,0,1,0,0|1,0,1]=4 17550 B13R1.559 C=CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215473 [0,1,0,1,0,0|1,0,0]=3 17551 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215473 [0,1,0,1,0,0|1,0,0]=3 17552 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215473 [0,1,0,1,0,0|1,0,0]=3 17553 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,1,0,1,0,0|1,0,0]=3 17554 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,1,0,1,0,0|1,0,0]=3 17555 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,1,0,1,0,0|2,0,0]=4 17556 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 17557 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 17558 B13R1.559 OCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000760002 [0,1,0,1,0,0|1,0,1]=4 17559 B13R1.559 OCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000760002 [0,1,0,1,0,0|1,0,1]=4 17560 B13R1.559 OCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000760002 [0,1,0,1,0,0|1,0,1]=4 17561 B13R1.560 BrCCCCCCOCC1CCO1 34a_100011215345_100000103362 [0,1,0,1,0,0|1,0,1]=4 17562 B13R1.560 BrCCCCCCOCC1CCO1 7a_100011215345_100000103362 [0,1,0,1,0,0|1,0,1]=4 17563 B13R1.560 C#CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100012094781 [0,1,0,1,0,0|0,0,2]=4 17564 B13R1.560 C#CCCCCCNC[C@@H]1CCO1 34a_100020831831_100012094781 [0,1,0,1,0,0|0,0,2]=4 17565 B13R1.560 C#CCCCCCOCC1CCO1 34a_100000039022_100012094781 [0,1,0,1,0,0|0,0,2]=4 17566 B13R1.560 C#CCCCCCOCC1CCO1 34a_100000766912_100000103362 [0,1,0,1,0,0|0,0,2]=4 17567 B13R1.560 C#CCCCCCOCC1CCO1 7a_100000766912_100000103362 [0,1,0,1,0,0|0,0,2]=4 17568 B13R1.560 C#CCCCCCSCC1CCO1 62a_100000103362_100012094781 [0,1,0,1,0,0|0,0,2]=4 17569 B13R1.560 C#CCCCCCSCC1CCO1 62a_100012094781_100000103362 [0,1,0,1,0,0|0,0,2]=4 17570 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,1,0,1,0,0|1,0,0]=3 17571 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,1,0,1,0,0|1,0,0]=3 17572 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,1,0,1,0,0|1,0,0]=3 17573 B13R1.560 C=CCCCCCCNC1COC1 2230a_100016991112_100011215473 [0,1,0,1,0,0|1,0,0]=3 17574 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,1,0,1,0,0|1,0,0]=3 17575 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,1,0,1,0,0|1,0,0]=3 17576 B13R1.560 C=CCCCCCCOC1COC1 34a_200011216477_100009818527 [0,1,0,1,0,0|1,0,0]=3 17577 B13R1.560 C=CCCCCCCOC1COC1 7a_200011216477_100009818527 [0,1,0,1,0,0|1,0,0]=3 17578 B13R1.560 C=CCCCCCCOC1CSC1 7a_100000072292_100011215473 [0,1,0,1,0,0|1,1,0]=4 17579 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,1,0,1,0,0|1,0,0]=3 17580 B13R1.560 C=CCCCCCCSC1COC1 62a_100011215473_100009818527 [0,1,0,1,0,0|1,0,0]=3 17581 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,1,0,1,0,0|1,0,0]=3 17582 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,1,0,1,0,0|1,0,0]=3 17583 B13R1.560 C=CCCCCCNCC1COC1 2230a_100015281925_100000700193 [0,1,0,1,0,0|1,0,0]=3 17584 B13R1.560 C=CCCCCCNCC1COC1 34a_100015281925_100000700193 [0,1,0,1,0,0|1,0,0]=3 17585 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000700193 [0,1,0,1,0,0|0,0,0]=2 17586 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000700193 [0,1,0,1,0,0|0,0,0]=2 17587 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,1,0,1,0,0|1,0,0]=3 17588 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,1,0,1,0,0|1,0,0]=3 17589 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,1,0,1,0,0|1,0,0]=3 17590 B13R1.560 C=CCCCCCOCC1CCO1 34a_100000039022_100000700193 [0,1,0,1,0,0|0,0,0]=2 17591 B13R1.560 C=CCCCCCOCC1CCO1 34a_100011216702_100000103362 [0,1,0,1,0,0|0,0,0]=2 17592 B13R1.560 C=CCCCCCOCC1CCO1 7a_100011216702_100000103362 [0,1,0,1,0,0|0,0,0]=2 17593 B13R1.560 C=CCCCCCOCC1CNC1 34a_100016987283_100000700193 [0,1,0,1,0,0|2,0,0]=4 17594 B13R1.560 C=CCCCCCOCC1COC1 34a_100000060846_100000700193 [0,1,0,1,0,0|1,0,0]=3 17595 B13R1.560 C=CCCCCCOCC1COC1 34a_100011216702_100010264016 [0,1,0,1,0,0|1,0,0]=3 17596 B13R1.560 C=CCCCCCOCC1COC1 7a_100011216702_100010264016 [0,1,0,1,0,0|1,0,0]=3 17597 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,1,0,1,0,0|1,0,0]=3 17598 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,1,0,1,0,0|1,0,0]=3 17599 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000103362_100000700193 [0,1,0,1,0,0|0,0,0]=2 17600 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000700193_100000103362 [0,1,0,1,0,0|0,0,0]=2 17601 B13R1.560 C=CCCCCCSCC1COC1 62a_100000700193_100010264016 [0,1,0,1,0,0|1,0,0]=3 17602 B13R1.560 C=CCCCCCSCC1COC1 62a_100010264016_100000700193 [0,1,0,1,0,0|1,0,0]=3 17603 B13R1.560 C=CCCCCOCCC1COC1 34a_100009855314_100011215482 [0,1,0,1,0,0|1,0,0]=3 17604 B13R1.560 C=COCCCCOCC1CCC1 34a_100000031558_100000763275 [0,1,0,1,0,0|2,0,0]=4 17605 B13R1.560 C=COCCCCOCC1CCC1 7a_100000031558_100000763275 [0,1,0,1,0,0|2,0,0]=4 17606 B13R1.560 C=COCCCCOCC1CCO1 34a_100000031558_100000103362 [0,1,0,1,0,0|1,0,0]=3 17607 B13R1.560 C=COCCCCOCC1CCO1 7a_100000031558_100000103362 [0,1,0,1,0,0|1,0,0]=3 17608 B13R1.560 C=COCCCCOCC1COC1 34a_100000031558_100010264016 [0,1,0,1,0,0|2,0,0]=4 17609 B13R1.560 C=COCCCCOCC1COC1 7a_100000031558_100010264016 [0,1,0,1,0,0|2,0,0]=4 17610 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,1,0,1,0,0|0,0,2]=4 17611 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,1,0,1,0,0|0,0,2]=4 17612 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,1,0,1,0,0|0,0,2]=4 17613 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|0,0,2]=4 17614 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 17615 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 17616 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,1,0,1,0,0|0,0,2]=4 17617 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,1,0,1,0,0|0,0,2]=4 17618 B13R1.560 CNCCCCCOCC1CCO1 34a_100000722520_100000103362 [0,1,0,1,0,0|1,0,1]=4 17619 B13R1.560 COCCCCCNCC1CCO1 2230a_100000747528_100000103362 [0,1,0,1,0,0|1,0,1]=4 17620 B13R1.560 COCCCCCNCC1CCO1 34a_100000747528_100000103362 [0,1,0,1,0,0|1,0,1]=4 17621 B13R1.560 ClCCCCCCOCC1CCO1 34a_100000766143_100000103362 [0,1,0,1,0,0|1,0,1]=4 17622 B13R1.560 ClCCCCCCOCC1CCO1 7a_100000766143_100000103362 [0,1,0,1,0,0|1,0,1]=4 17623 B13R1.560 FCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100015922095 [0,1,0,1,0,0|1,0,1]=4 17624 B13R1.560 FCCCCCCNC[C@@H]1CCO1 34a_100020831831_100015922095 [0,1,0,1,0,0|1,0,1]=4 17625 B13R1.560 FCCCCCCOCC1CCO1 34a_100000039022_100015922095 [0,1,0,1,0,0|1,0,1]=4 17626 B13R1.560 FCCCCCCOCC1CCO1 34a_100000732779_100000103362 [0,1,0,1,0,0|1,0,1]=4 17627 B13R1.560 FCCCCCCOCC1CCO1 7a_100000732779_100000103362 [0,1,0,1,0,0|1,0,1]=4 17628 B13R1.560 FCCCCCCSCC1CCO1 62a_100000103362_100015922095 [0,1,0,1,0,0|1,0,1]=4 17629 B13R1.560 FCCCCCCSCC1CCO1 62a_100015922095_100000103362 [0,1,0,1,0,0|1,0,1]=4 17630 B13R1.560 N#CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009813376 [0,1,0,1,0,0|1,0,1]=4 17631 B13R1.560 N#CCCCCCSCC1CCO1 62a_100000103362_100009813376 [0,1,0,1,0,0|1,0,1]=4 17632 B13R1.560 N#CCCCCCSCC1CCO1 62a_100009813376_100000103362 [0,1,0,1,0,0|1,0,1]=4 17633 B13R1.560 NCCCCCCOCC1CCO1 34a_100000686447_100000103362 [0,1,0,1,0,0|1,0,1]=4 17634 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,1,0,1,0,0|2,0,0]=4 17635 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [0,1,0,1,0,0|2,0,0]=4 17636 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,1,0,1,0,0|1,0,0]=3 17637 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,1,0,1,0,0|2,0,0]=4 17638 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,1,0,1,0,0|2,0,0]=4 17639 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,1,0,1,0,0|1,0,0]=3 17640 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,1,0,1,0,0|1,0,0]=3 17641 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [0,1,0,1,0,0|2,0,0]=4 17642 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [0,1,0,1,0,0|2,0,0]=4 17643 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [0,1,0,1,0,0|0,0,2]=4 17644 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 17645 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [0,1,0,1,0,0|0,0,2]=4 17646 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 17647 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|0,0,2]=4 17648 B13R1.560 OCCCCCCCNC1COC1 2230a_100016991112_100000760002 [0,1,0,1,0,0|1,0,1]=4 17649 B13R1.560 OCCCCCCCNC1COC1 34a_100011996573_100009818527 [0,1,0,1,0,0|1,0,1]=4 17650 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [0,1,0,1,0,0|0,0,2]=4 17651 B13R1.560 OCCCCCCCOC1CSC1 7a_100000072292_100000760002 [0,1,0,1,0,0|1,0,1]=4 17652 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [0,1,0,1,0,0|0,0,2]=4 17653 B13R1.560 OCCCCCCCSC1COC1 62a_100000760002_100009818527 [0,1,0,1,0,0|1,0,1]=4 17654 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 17655 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 17656 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [0,1,0,1,0,0|0,0,2]=4 17657 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 17658 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 17659 B13R1.560 OCCCCCCNCC1CCO1 2230a_100000686447_100000103362 [0,1,0,1,0,0|1,0,1]=4 17660 B13R1.560 OCCCCCCNCC1CCO1 34a_100000686447_100000103362 [0,1,0,1,0,0|1,0,1]=4 17661 B13R1.560 OCCCCCCNCC1COC1 2230a_100000686447_100010264016 [0,1,0,1,0,0|1,0,1]=4 17662 B13R1.560 OCCCCCCNCC1COC1 2230a_100015281925_100000766143 [0,1,0,1,0,0|1,0,1]=4 17663 B13R1.560 OCCCCCCNCC1COC1 34a_100000686447_100010264016 [0,1,0,1,0,0|1,0,1]=4 17664 B13R1.560 OCCCCCCNCC1COC1 34a_100015281925_100000766143 [0,1,0,1,0,0|1,0,1]=4 17665 B13R1.560 OCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000766143 [0,1,0,1,0,0|1,0,1]=4 17666 B13R1.560 OCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000766143 [0,1,0,1,0,0|1,0,1]=4 17667 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [0,1,0,1,0,0|0,0,2]=4 17668 B13R1.560 OCCCCCCOCC1CCO1 34a_100000039022_100000766143 [0,1,0,1,0,0|1,0,1]=4 17669 B13R1.560 OCCCCCCOCC1CNC1 34a_100016987283_100000766143 [0,1,0,1,0,0|1,0,1]=4 17670 B13R1.560 OCCCCCCOCC1COC1 34a_100000060846_100000766143 [0,1,0,1,0,0|1,0,1]=4 17671 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [0,1,0,1,0,0|0,0,2]=4 17672 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [0,1,0,1,0,0|0,0,2]=4 17673 B13R1.560 OCCCCCCSCC1CCO1 62a_100000103362_100000766143 [0,1,0,1,0,0|1,0,1]=4 17674 B13R1.560 OCCCCCCSCC1CCO1 62a_100000766143_100000103362 [0,1,0,1,0,0|1,0,1]=4 17675 B13R1.560 OCCCCCCSCC1COC1 62a_100000766143_100010264016 [0,1,0,1,0,0|1,0,1]=4 17676 B13R1.560 OCCCCCCSCC1COC1 62a_100010264016_100000766143 [0,1,0,1,0,0|1,0,1]=4 17677 B13R1.560 OCCCCCOCCC1COC1 34a_100009855314_100000746330 [0,1,0,1,0,0|1,0,1]=4 17678 B13R1.579 C=CCNC1CCCC1CCC#N 270004a_100020586998_100000073560 [0,1,0,1,0,0|1,0,1]=4 17679 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,1,0,1,0,0|1,0,0]=3 17680 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 17681 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 17682 B13R1.579 N#CCCC1CCCC1NCCO 270004a_100000210304_100000073560 [0,1,0,1,0,0|1,0,1]=4 17683 B13R1.659 BrCCCCCCCOCC1CO1 34a_100000760002_102125554688 [0,1,0,1,0,0|1,0,1]=4 17684 B13R1.659 BrCCCCCCCOCC1CO1 7a_100000760002_102125554688 [0,1,0,1,0,0|1,0,1]=4 17685 B13R1.659 BrCCCCCCCOC[C@@H]1CO1 7a_100000760002_100000745022 [0,1,0,1,0,0|1,0,1]=4 17686 B13R1.659 BrCCCCCCOCCC1CO1 34a_100011215345_100000732470 [0,1,0,1,0,0|1,0,1]=4 17687 B13R1.659 BrCCCCCCOCCC1CO1 7a_100011215345_100000732470 [0,1,0,1,0,0|1,0,1]=4 17688 B13R1.659 BrCCCCCOCCCC1CO1 34a_100000746331_100000733510 [0,1,0,1,0,0|1,0,1]=4 17689 B13R1.659 BrCCCCCOCCCC1CO1 7a_100000746331_100000733510 [0,1,0,1,0,0|1,0,1]=4 17690 B13R1.659 C#CCCCCCCOCC1CO1 34a_100011217361_102125554688 [0,1,0,1,0,0|0,0,2]=4 17691 B13R1.659 C#CCCCCCCOCC1CO1 7a_100011217361_102125554688 [0,1,0,1,0,0|0,0,2]=4 17692 B13R1.659 C#CCCCCCCOC[C@@H]1CO1 34a_100000757423_100012276617 [0,1,0,1,0,0|0,0,2]=4 17693 B13R1.659 C#CCCCCCCOC[C@@H]1CO1 7a_100011217361_100000745022 [0,1,0,1,0,0|0,0,2]=4 17694 B13R1.659 C#CCCCCCCSCC1CO1 62a_100012276617_102125554688 [0,1,0,1,0,0|0,0,2]=4 17695 B13R1.659 C#CCCCCCCSCC1CO1 62a_102125554688_100012276617 [0,1,0,1,0,0|0,0,2]=4 17696 B13R1.659 C#CCCCCCCSC[C@@H]1CO1 62a_100000745022_100012276617 [0,1,0,1,0,0|0,0,2]=4 17697 B13R1.659 C#CCCCCCCSC[C@@H]1CO1 62a_100012276617_100000745022 [0,1,0,1,0,0|0,0,2]=4 17698 B13R1.659 C#CCCCCCOCCC1CO1 34a_100000766912_100000732470 [0,1,0,1,0,0|0,0,2]=4 17699 B13R1.659 C#CCCCCCOCCC1CO1 7a_100000766912_100000732470 [0,1,0,1,0,0|0,0,2]=4 17700 B13R1.659 C#CCCCCCOCC[C@@H]1CO1 34a_100009820653_100012094781 [0,1,0,1,0,0|0,0,2]=4 17701 B13R1.659 C#CCCCCCSCCC1CO1 62a_100000732470_100012094781 [0,1,0,1,0,0|0,0,2]=4 17702 B13R1.659 C#CCCCCCSCCC1CO1 62a_100012094781_100000732470 [0,1,0,1,0,0|0,0,2]=4 17703 B13R1.659 C#CCCCCNCCCC1CO1 2230a_100000706060_100000733510 [0,1,0,1,0,0|0,0,2]=4 17704 B13R1.659 C#CCCCCNCCCC1CO1 34a_100000706060_100000733510 [0,1,0,1,0,0|0,0,2]=4 17705 B13R1.659 C#CCCCCOCCCC1CO1 34a_100000766709_100000733510 [0,1,0,1,0,0|0,0,2]=4 17706 B13R1.659 C#CCCCCOCCCC1CO1 7a_100000766709_100000733510 [0,1,0,1,0,0|0,0,2]=4 17707 B13R1.659 C#CCCCCSCCCC1CO1 62a_100000733510_100010269958 [0,1,0,1,0,0|0,0,2]=4 17708 B13R1.659 C#CCCCCSCCCC1CO1 62a_100010269958_100000733510 [0,1,0,1,0,0|0,0,2]=4 17709 B13R1.659 C=CCCC/C=C/COCC1CO1 34a_200016268473_102125554688 [0,1,0,1,0,0|0,0,2]=4 17710 B13R1.659 C=CCCC/C=C/COCC1CO1 7a_200016268473_102125554688 [0,1,0,1,0,0|0,0,2]=4 17711 B13R1.659 C=CCCC/C=C/COC[C@@H]1CO1 7a_200016268473_100000745022 [0,1,0,1,0,0|0,0,2]=4 17712 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,1,0,1,0,0|1,0,0]=3 17713 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,1,0,1,0,0|1,0,0]=3 17714 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,1,0,1,0,0|1,0,0]=3 17715 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,1,0,1,0,0|1,0,0]=3 17716 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,1,0,1,0,0|1,0,0]=3 17717 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,1,0,1,0,0|1,0,0]=3 17718 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,1,0,1,0,0|1,0,0]=3 17719 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,1,0,1,0,0|1,0,0]=3 17720 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,1,0,1,0,0|0,0,0]=2 17721 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,1,0,1,0,0|0,0,0]=2 17722 B13R1.659 C=CCCCCCCOCC1CS1 7a_200011216477_100000031435 [0,1,0,1,0,0|0,1,0]=3 17723 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,1,0,1,0,0|0,0,0]=2 17724 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,1,0,1,0,0|0,0,0]=2 17725 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,1,0,1,0,0|1,0,0]=3 17726 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,1,0,1,0,0|1,0,0]=3 17727 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,1,0,1,0,0|0,0,0]=2 17728 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,1,0,1,0,0|0,0,0]=2 17729 B13R1.659 C=CCCCCCCSCC1CS1 62a_100000031435_100011215473 [0,1,0,1,0,0|0,1,0]=3 17730 B13R1.659 C=CCCCCCCSCC1CS1 62a_100011215473_100000031435 [0,1,0,1,0,0|0,1,0]=3 17731 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,1,0,1,0,0|0,0,0]=2 17732 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,1,0,1,0,0|0,0,0]=2 17733 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,1,0,1,0,0|1,0,0]=3 17734 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,1,0,1,0,0|1,0,0]=3 17735 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,1,0,1,0,0|1,0,0]=3 17736 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,1,0,1,0,0|1,0,0]=3 17737 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,1,0,1,0,0|1,0,0]=3 17738 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,1,0,1,0,0|0,0,0]=2 17739 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,1,0,1,0,0|0,0,0]=2 17740 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,1,0,1,0,0|0,0,0]=2 17741 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,1,0,1,0,0|1,0,0]=3 17742 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,1,0,1,0,0|1,0,0]=3 17743 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,1,0,1,0,0|0,0,0]=2 17744 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,1,0,1,0,0|0,0,0]=2 17745 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,1,0,1,0,0|0,0,0]=2 17746 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,1,0,1,0,0|0,0,0]=2 17747 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,1,0,1,0,0|0,0,0]=2 17748 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,1,0,1,0,0|0,0,0]=2 17749 B13R1.659 C=CCCCCOCCNC1CC1 34a_100000738766_100011215482 [0,1,0,1,0,0|2,0,0]=4 17750 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,1,0,1,0,0|0,0,0]=2 17751 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,1,0,1,0,0|0,0,0]=2 17752 B13R1.659 C=CCOCCCCOCC1CO1 34a_100010889290_100015514636 [0,1,0,1,0,0|1,0,0]=3 17753 B13R1.659 C=CCOCCCCOCC1CO1 7a_100010889290_100015514636 [0,1,0,1,0,0|1,0,0]=3 17754 B13R1.659 C=CCOCCOCCCC1CO1 34a_100000037705_100000733510 [0,1,0,1,0,0|1,0,0]=3 17755 B13R1.659 C=CCOCCOCCCC1CO1 7a_100000037705_100000733510 [0,1,0,1,0,0|1,0,0]=3 17756 B13R1.659 C=COCCCCOCCC1CC1 34a_100000031558_100000694398 [0,1,0,1,0,0|2,0,0]=4 17757 B13R1.659 C=COCCCCOCCC1CC1 7a_100000031558_100000764125 [0,1,0,1,0,0|2,0,0]=4 17758 B13R1.659 C=COCCCCOCCC1CO1 34a_100000031558_100000732470 [0,1,0,1,0,0|1,0,0]=3 17759 B13R1.659 C=COCCCCOCCC1CO1 7a_100000031558_100000732470 [0,1,0,1,0,0|1,0,0]=3 17760 B13R1.659 C=COCCCNCCCC1CO1 2230a_100000210767_100000733510 [0,1,0,1,0,0|1,0,0]=3 17761 B13R1.659 C=COCCCNCCCC1CO1 34a_100000210767_100000733510 [0,1,0,1,0,0|1,0,0]=3 17762 B13R1.659 C=COCCOCCOCC1CO1 34a_100000039918_102125554688 [0,1,0,1,0,0|2,0,0]=4 17763 B13R1.659 C=COCCOCCOCC1CO1 7a_100000039918_102125554688 [0,1,0,1,0,0|2,0,0]=4 17764 B13R1.659 C=COCCOCCOC[C@@H]1CO1 7a_100000039918_100000745022 [0,1,0,1,0,0|2,0,0]=4 17765 B13R1.659 CC=CCCCOCCCC1CO1 34a_100020645299_100000733510 [0,1,0,1,0,0|1,0,0]=3 17766 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|0,0,2]=4 17767 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|0,0,2]=4 17768 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 17769 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 17770 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,2]=4 17771 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,2]=4 17772 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|0,0,2]=4 17773 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|0,0,2]=4 17774 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|0,0,2]=4 17775 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|0,0,2]=4 17776 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|0,0,2]=4 17777 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 17778 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 17779 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|0,0,2]=4 17780 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|0,0,2]=4 17781 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|0,0,2]=4 17782 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|0,0,2]=4 17783 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 17784 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 17785 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|0,0,2]=4 17786 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|0,0,2]=4 17787 B13R1.659 CNCCCCCOCCC1CO1 34a_100000722520_100000732470 [0,1,0,1,0,0|1,0,1]=4 17788 B13R1.659 COCCCCCCOCC1CO1 34a_200012092642_102125554688 [0,1,0,1,0,0|1,0,1]=4 17789 B13R1.659 COCCCCCCOCC1CO1 7a_200012092642_102125554688 [0,1,0,1,0,0|1,0,1]=4 17790 B13R1.659 COCCCCCCOC[C@@H]1CO1 34a_100000757423_100011998445 [0,1,0,1,0,0|1,0,1]=4 17791 B13R1.659 COCCCCCCOC[C@@H]1CO1 7a_200012092642_100000745022 [0,1,0,1,0,0|1,0,1]=4 17792 B13R1.659 COCCCCCCSCC1CO1 62a_100011998445_102125554688 [0,1,0,1,0,0|1,0,1]=4 17793 B13R1.659 COCCCCCCSCC1CO1 62a_102125554688_100011998445 [0,1,0,1,0,0|1,0,1]=4 17794 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100000745022_100011998445 [0,1,0,1,0,0|1,0,1]=4 17795 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100011998445_100000745022 [0,1,0,1,0,0|1,0,1]=4 17796 B13R1.659 COCCCCCNCCC1CO1 2230a_100000747528_100000732470 [0,1,0,1,0,0|1,0,1]=4 17797 B13R1.659 COCCCCCNCCC1CO1 34a_100000747528_100000732470 [0,1,0,1,0,0|1,0,1]=4 17798 B13R1.659 COCCCCOCCCC1CO1 34a_100000740925_100000733510 [0,1,0,1,0,0|1,0,1]=4 17799 B13R1.659 COCCCCSCCCC1CO1 62a_100000730899_100000733510 [0,1,0,1,0,0|1,0,1]=4 17800 B13R1.659 COCCCCSCCCC1CO1 62a_100000733510_100000730899 [0,1,0,1,0,0|1,0,1]=4 17801 B13R1.659 CSCCCCOCCCC1CO1 34a_100011217163_100000733510 [0,1,0,1,0,0|1,0,1]=4 17802 B13R1.659 CSCCCCOCCCC1CO1 7a_100011217163_100000733510 [0,1,0,1,0,0|1,0,1]=4 17803 B13R1.659 ClCCCCCCOCCC1CO1 34a_100000766143_100000732470 [0,1,0,1,0,0|1,0,1]=4 17804 B13R1.659 ClCCCCCCOCCC1CO1 7a_100000766143_100000732470 [0,1,0,1,0,0|1,0,1]=4 17805 B13R1.659 ClCCCCCOCCCC1CO1 34a_100000746330_100000733510 [0,1,0,1,0,0|1,0,1]=4 17806 B13R1.659 ClCCCCCOCCCC1CO1 7a_100000746330_100000733510 [0,1,0,1,0,0|1,0,1]=4 17807 B13R1.659 FCCCCCCOCCC1CO1 34a_100000732779_100000732470 [0,1,0,1,0,0|1,0,1]=4 17808 B13R1.659 FCCCCCCOCCC1CO1 7a_100000732779_100000732470 [0,1,0,1,0,0|1,0,1]=4 17809 B13R1.659 FCCCCCCOCC[C@@H]1CO1 34a_100009820653_100015922095 [0,1,0,1,0,0|1,0,1]=4 17810 B13R1.659 FCCCCCCSCCC1CO1 62a_100000732470_100015922095 [0,1,0,1,0,0|1,0,1]=4 17811 B13R1.659 FCCCCCCSCCC1CO1 62a_100015922095_100000732470 [0,1,0,1,0,0|1,0,1]=4 17812 B13R1.659 FCCCCCSCCCC1CO1 62a_100000729378_100000733510 [0,1,0,1,0,0|1,0,1]=4 17813 B13R1.659 FCCCCCSCCCC1CO1 62a_100000733510_100000729378 [0,1,0,1,0,0|1,0,1]=4 17814 B13R1.659 ICCCCCOCCCC1CO1 34a_200012148887_100000733510 [0,1,0,1,0,0|1,0,1]=4 17815 B13R1.659 ICCCCCOCCCC1CO1 7a_200012148887_100000733510 [0,1,0,1,0,0|1,0,1]=4 17816 B13R1.659 N#CCCCCCCSCC1CO1 62a_100009813337_102125554688 [0,1,0,1,0,0|1,0,1]=4 17817 B13R1.659 N#CCCCCCCSCC1CO1 62a_102125554688_100009813337 [0,1,0,1,0,0|1,0,1]=4 17818 B13R1.659 N#CCCCCCCSC[C@@H]1CO1 62a_100000745022_100009813337 [0,1,0,1,0,0|1,0,1]=4 17819 B13R1.659 N#CCCCCCCSC[C@@H]1CO1 62a_100009813337_100000745022 [0,1,0,1,0,0|1,0,1]=4 17820 B13R1.659 N#CCCCCCSCCC1CO1 62a_100000732470_100009813376 [0,1,0,1,0,0|1,0,1]=4 17821 B13R1.659 N#CCCCCCSCCC1CO1 62a_100009813376_100000732470 [0,1,0,1,0,0|1,0,1]=4 17822 B13R1.659 N#CCCCCSCCCC1CO1 62a_100000733510_100000211819 [0,1,0,1,0,0|1,0,1]=4 17823 B13R1.659 N#CCCCCSCCCC1CO1 62a_100011219923_100000733510 [0,1,0,1,0,0|1,0,1]=4 17824 B13R1.659 NCCCCCCCOCC1CO1 34a_100011996573_102125554688 [0,1,0,1,0,0|1,0,1]=4 17825 B13R1.659 NCCCCCCOCCC1CO1 34a_100000686447_100000732470 [0,1,0,1,0,0|1,0,1]=4 17826 B13R1.659 NCCCCCOCCCC1CO1 34a_100000762737_100000733510 [0,1,0,1,0,0|1,0,1]=4 17827 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,1,0,1,0,0|2,0,0]=4 17828 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,1,0,1,0,0|2,0,0]=4 17829 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,1,0,1,0,0|2,0,0]=4 17830 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,1,0,1,0,0|1,0,0]=3 17831 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,1,0,1,0,0|1,0,0]=3 17832 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,1,0,1,0,0|1,0,0]=3 17833 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,1,0,1,0,0|1,0,0]=3 17834 B13R1.659 O=CCOCCCCOCC1CO1 34a_100010889290_200009817547 [0,1,0,1,0,0|2,0,0]=4 17835 B13R1.659 O=CCOCCCCOCC1CO1 7a_100010889290_200015260668 [0,1,0,1,0,0|2,0,0]=4 17836 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [0,1,0,1,0,0|0,0,2]=4 17837 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|0,0,2]=4 17838 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [0,1,0,1,0,0|0,0,2]=4 17839 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 17840 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 17841 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [0,1,0,1,0,0|0,0,2]=4 17842 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 17843 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 17844 B13R1.659 OCCCCCCCNCC1CO1 2230a_100011996573_100011216344 [0,1,0,1,0,0|1,0,1]=4 17845 B13R1.659 OCCCCCCCNCC1CO1 34a_100011996573_102125554688 [0,1,0,1,0,0|1,0,1]=4 17846 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [0,1,0,1,0,0|0,0,2]=4 17847 B13R1.659 OCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000760002 [0,1,0,1,0,0|1,0,1]=4 17848 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [0,1,0,1,0,0|0,0,2]=4 17849 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [0,1,0,1,0,0|0,0,2]=4 17850 B13R1.659 OCCCCCCCSCC1CO1 62a_100000760002_102125554688 [0,1,0,1,0,0|1,0,1]=4 17851 B13R1.659 OCCCCCCCSCC1CO1 62a_102125554688_100000760002 [0,1,0,1,0,0|1,0,1]=4 17852 B13R1.659 OCCCCCCCSCC1CS1 62a_100000031435_100000760002 [0,1,0,1,0,0|1,0,1]=4 17853 B13R1.659 OCCCCCCCSCC1CS1 62a_100000760002_100000031435 [0,1,0,1,0,0|1,0,1]=4 17854 B13R1.659 OCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000760002 [0,1,0,1,0,0|1,0,1]=4 17855 B13R1.659 OCCCCCCCSC[C@@H]1CO1 62a_100000760002_100000745022 [0,1,0,1,0,0|1,0,1]=4 17856 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 17857 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 17858 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [0,1,0,1,0,0|0,0,2]=4 17859 B13R1.659 OCCCCCCNCCC1CO1 2230a_100000686447_100000732470 [0,1,0,1,0,0|1,0,1]=4 17860 B13R1.659 OCCCCCCNCCC1CO1 34a_100000686447_100000732470 [0,1,0,1,0,0|1,0,1]=4 17861 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 17862 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 17863 B13R1.659 OCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000766143 [0,1,0,1,0,0|1,0,1]=4 17864 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [0,1,0,1,0,0|0,0,2]=4 17865 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [0,1,0,1,0,0|0,0,2]=4 17866 B13R1.659 OCCCCCCSCCC1CO1 62a_100000732470_100000766143 [0,1,0,1,0,0|1,0,1]=4 17867 B13R1.659 OCCCCCCSCCC1CO1 62a_100000766143_100000732470 [0,1,0,1,0,0|1,0,1]=4 17868 B13R1.659 OCCCCCNCCCC1CO1 2230a_100000762737_100000733510 [0,1,0,1,0,0|1,0,1]=4 17869 B13R1.659 OCCCCCNCCCC1CO1 34a_100000762737_100000733510 [0,1,0,1,0,0|1,0,1]=4 17870 B13R1.659 OCCCCCSCCCC1CO1 62a_100000733510_100000746330 [0,1,0,1,0,0|1,0,1]=4 17871 B13R1.659 OCCCCCSCCCC1CO1 62a_100000746330_100000733510 [0,1,0,1,0,0|1,0,1]=4 17872 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,1,0,1,0,0|1,0,0]=3 17873 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,1,0,1,0,0|1,0,0]=3 17874 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,1,0,1,0,0|0,0,2]=4 17875 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,1,0,1,0,0|0,0,2]=4 17876 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,1,0,1,0,0|0,0,2]=4 17877 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,1,0,1,0,0|0,0,2]=4 17878 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,1,0,1,0,0|0,0,2]=4 17879 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,1,0,1,0,0|0,0,2]=4 17880 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,1,0,1,0,0|0,0,2]=4 17881 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,1,0,1,0,0|0,0,2]=4 17882 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 17883 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 17884 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 17885 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 17886 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|2,0,0]=4 17887 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|2,0,0]=4 17888 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|2,0,0]=4 17889 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|2,0,0]=4 17890 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|2,0,0]=4 17891 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|2,0,0]=4 17892 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,1,0,0|2,0,0]=4 17893 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,1,0,0|2,0,0]=4 17894 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,1,0,0|2,0,0]=4 17895 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,1,0,0|2,0,0]=4 17896 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|1,0,0]=3 17897 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,1,0,0|2,0,0]=4 17898 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,1,0,0|2,0,0]=4 17899 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,1,0,0|2,0,0]=4 17900 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,1,0,0|2,0,0]=4 17901 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|1,0,0]=3 17902 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|1,0,0]=3 17903 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,0]=3 17904 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 17905 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 17906 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 17907 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 17908 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 17909 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 17910 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,1,0,0|2,0,0]=4 17911 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,1,0,0|2,0,0]=4 17912 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|1,0,0]=3 17913 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|1,0,0]=3 17914 B13R1.671 C=CCCCN1CCC[C@H]1COC 2230a_100020646714_100011713584 [0,1,0,1,0,0|1,0,0]=3 17915 B13R1.671 C=CCCCN1CCC[C@H]1COC 269982a_100020646714_100000757094 [0,1,0,1,0,0|1,0,0]=3 17916 B13R1.671 C=CCCCN1CCC[C@H]1COC 34a_100020646714_100000757094 [0,1,0,1,0,0|1,0,0]=3 17917 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,1,0,1,0,0|1,0,0]=3 17918 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,1,0,1,0,0|1,0,0]=3 17919 B13R1.671 C=CCOCC1CCCN1CCC 34a_200000694710_100015514636 [0,1,0,1,0,0|2,0,0]=4 17920 B13R1.671 C=CCOCC1CCCN1CCC 7a_200000694710_100015514636 [0,1,0,1,0,0|2,0,0]=4 17921 B13R1.671 C=COCCN1CCC[C@H]1COC 2230a_100020646714_100000039644 [0,1,0,1,0,0|2,0,0]=4 17922 B13R1.671 C=COCCN1CCC[C@H]1COC 269982a_100020646714_100000039644 [0,1,0,1,0,0|2,0,0]=4 17923 B13R1.671 C=COCCN1CCC[C@H]1COC 34a_100020646714_100000039644 [0,1,0,1,0,0|2,0,0]=4 17924 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 17925 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 17926 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [0,1,0,1,0,0|2,0,0]=4 17927 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [0,1,0,1,0,0|2,0,0]=4 17928 B13R1.671 COC[C@@H]1CCCN1CCCCO 2230a_100020646714_100000210776 [0,1,0,1,0,0|1,0,1]=4 17929 B13R1.671 COC[C@@H]1CCCN1CCCCO 269982a_100020646714_100000210776 [0,1,0,1,0,0|1,0,1]=4 17930 B13R1.671 COC[C@@H]1CCCN1CCCCO 34a_100020646714_100011216708 [0,1,0,1,0,0|1,0,1]=4 17931 B13R1.1150 C#CCCOC1C=CCCCCC1 34a_100000688657_100000688953 [0,1,0,1,0,0|1,0,1]=4 17932 B13R1.1150 C/C=C/CNC1CCCCCCC1 34a_100000211152_100102629194 [0,1,0,1,0,0|2,0,0]=4 17933 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [0,1,0,1,0,0|2,0,0]=4 17934 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [0,1,0,1,0,0|2,0,0]=4 17935 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,1,0,1,0,0|1,0,0]=3 17936 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,1,0,1,0,0|1,0,0]=3 17937 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,1,0,1,0,0|1,0,0]=3 17938 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,1,0,1,0,0|1,0,0]=3 17939 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,1,0,1,0,0|1,0,0]=3 17940 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,1,0,1,0,0|1,0,0]=3 17941 B13R1.1150 C=CCCOC1C=CCCCCC1 34a_100000688657_100000754431 [0,1,0,1,0,0|1,0,1]=4 17942 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,1,0,1,0,0|1,0,0]=3 17943 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,1,0,1,0,0|1,0,0]=3 17944 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,1,0,1,0,0|1,0,0]=3 17945 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,1,0,1,0,0|1,0,0]=3 17946 B13R1.1150 C=COCCN1CCCCCCC1 2230a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 17947 B13R1.1150 C=COCCN1CCCCCCC1 269982a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 17948 B13R1.1150 C=COCCN1CCCCCCC1 34a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 17949 B13R1.1150 CC=CCNC1CCCCCCC1 2230a_100000211152_100000070051 [0,1,0,1,0,0|2,0,0]=4 17950 B13R1.1150 CC=CCNC1CCCCCCC1 34a_100000211152_100000070051 [0,1,0,1,0,0|2,0,0]=4 17951 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [0,1,0,1,0,0|2,0,0]=4 17952 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [0,1,0,1,0,0|2,0,0]=4 17953 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,1,0,1,0,0|1,0,0]=3 17954 B13R1.1150 COCCOC1C=CCCCCC1 34a_100000688657_100011201679 [0,1,0,1,0,0|1,0,0]=3 17955 B13R1.1150 CSCCOC1C=CCCCCC1 34a_100000688657_100000212216 [0,1,0,1,0,0|1,1,0]=4 17956 B13R1.1150 FCCCOC1C=CCCCCC1 34a_100000688657_100011934791 [0,1,0,1,0,0|1,0,0]=3 17957 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,1,0,1,0,0|2,0,0]=4 17958 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,1,0,1,0,0|2,0,0]=4 17959 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,1,0,1,0,0|2,0,0]=4 17960 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,1,0,1,0,0|2,0,0]=4 17961 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 17962 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 17963 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [0,1,0,1,0,0|0,0,2]=4 17964 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 17965 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [0,1,0,1,0,0|0,0,2]=4 17966 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 17967 B13R1.1150 OCCCOC1C=CCCCCC1 34a_100000688657_100000230001 [0,1,0,1,0,0|0,0,0]=2 17968 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [0,1,0,1,0,0|0,0,2]=4 17969 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [0,1,0,1,0,0|0,0,2]=4 17970 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 17971 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 17972 B13R1.1887 C/C=C/CCOC1CCCCCC1 34a_100016278192_100011217769 [0,1,0,1,0,0|2,0,0]=4 17973 B13R1.1887 C/C=C/CNCC1CCCCCC1 34a_100015204231_100102629194 [0,1,0,1,0,0|2,0,0]=4 17974 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100000699130_100102629194 [0,1,0,1,0,0|2,0,0]=4 17975 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100016270725_200000696569 [0,1,0,1,0,0|2,0,0]=4 17976 B13R1.1887 C/C=C/COCC1CCCCCC1 7a_100000699130_100102629194 [0,1,0,1,0,0|2,0,0]=4 17977 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_100102629194_200000696569 [0,1,0,1,0,0|2,0,0]=4 17978 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_200000696569_100102629194 [0,1,0,1,0,0|2,0,0]=4 17979 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 17980 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 17981 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 17982 B13R1.1887 C=CCCCCN1CCCOCC1 2230a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 17983 B13R1.1887 C=CCCCCN1CCCOCC1 269982a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 17984 B13R1.1887 C=CCCCCN1CCCOCC1 34a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 17985 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,1,0,1,0,0|1,0,0]=3 17986 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,1,0,1,0,0|1,0,0]=3 17987 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,1,0,1,0,0|1,0,0]=3 17988 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,1,0,1,0,0|1,0,0]=3 17989 B13R1.1887 C=CCCCNC1CCCNCC1 270004a_100000700776_100015187895 [0,1,0,1,0,0|2,0,0]=4 17990 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,1,0,1,0,0|1,0,0]=3 17991 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,1,0,1,0,0|1,0,0]=3 17992 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,1,0,1,0,0|1,0,0]=3 17993 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,1,0,1,0,0|1,0,0]=3 17994 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,1,0,1,0,0|1,0,0]=3 17995 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,1,0,1,0,0|1,0,0]=3 17996 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,1,0,1,0,0|1,0,0]=3 17997 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,1,0,1,0,0|1,0,0]=3 17998 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,1,0,1,0,0|1,0,0]=3 17999 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,1,0,1,0,0|1,0,0]=3 18000 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,1,0,1,0,0|1,0,0]=3 18001 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,1,0,1,0,0|1,0,0]=3 18002 B13R1.1887 C=CCCOCC1CNCCOC1 34a_100103147999_100000754431 [0,1,0,1,0,0|2,0,0]=4 18003 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,1,0,1,0,0|1,0,0]=3 18004 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,1,0,1,0,0|1,0,0]=3 18005 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,1,0,1,0,0|1,0,0]=3 18006 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,1,0,1,0,0|1,0,0]=3 18007 B13R1.1887 C=CCOCCN1CCCCCC1 34a_100000238007_100015514636 [0,1,0,1,0,0|2,0,0]=4 18008 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000210623_100000722644 [0,1,0,1,0,0|2,0,0]=4 18009 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000722644_100000210623 [0,1,0,1,0,0|2,0,0]=4 18010 B13R1.1887 C=COCCNC1CCCCCC1 2230a_100000210984_100000039644 [0,1,0,1,0,0|2,0,0]=4 18011 B13R1.1887 C=COCCNC1CCCCCC1 34a_100000210984_100000039644 [0,1,0,1,0,0|2,0,0]=4 18012 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000033082_100011217769 [0,1,0,1,0,0|2,0,0]=4 18013 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000210887_100000039644 [0,1,0,1,0,0|2,0,0]=4 18014 B13R1.1887 C=COCCOC1CCCCCC1 7a_100000210887_100000039644 [0,1,0,1,0,0|2,0,0]=4 18015 B13R1.1887 C=COCCSC1CCCCCC1 62a_100000039644_100011217769 [0,1,0,1,0,0|2,0,0]=4 18016 B13R1.1887 C=COCCSC1CCCCCC1 62a_100011217769_100000039644 [0,1,0,1,0,0|2,0,0]=4 18017 B13R1.1887 CC=CCNCC1CCCCCC1 2230a_100015204231_100000070051 [0,1,0,1,0,0|2,0,0]=4 18018 B13R1.1887 CC=CCNCC1CCCCCC1 34a_100015204231_100000070051 [0,1,0,1,0,0|2,0,0]=4 18019 B13R1.1887 CC=CCOCC1CCCCCC1 34a_100000699130_100000070051 [0,1,0,1,0,0|2,0,0]=4 18020 B13R1.1887 CC=CCOCC1CCCCCC1 7a_100000699130_100000070051 [0,1,0,1,0,0|2,0,0]=4 18021 B13R1.1887 CC=CCSCC1CCCCCC1 62a_100000070051_200000696569 [0,1,0,1,0,0|2,0,0]=4 18022 B13R1.1887 CC=CCSCC1CCCCCC1 62a_200000696569_100000070051 [0,1,0,1,0,0|2,0,0]=4 18023 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,1,0,1,0,0|2,0,0]=4 18024 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,1,0,1,0,0|2,0,0]=4 18025 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,1,0,1,0,0|2,0,0]=4 18026 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,1,0,1,0,0|2,0,0]=4 18027 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,1,0,1,0,0|2,0,0]=4 18028 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,1,0,1,0,0|2,0,0]=4 18029 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,1,0,1,0,0|2,0,0]=4 18030 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,1,0,1,0,0|2,0,0]=4 18031 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 18032 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 18033 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 18034 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [0,1,0,1,0,0|0,0,2]=4 18035 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [0,1,0,1,0,0|0,0,2]=4 18036 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [0,1,0,1,0,0|0,0,2]=4 18037 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|0,0,2]=4 18038 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,1,0,1,0,0|0,0,2]=4 18039 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,1,0,1,0,0|0,0,2]=4 18040 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [0,1,0,1,0,0|0,0,2]=4 18041 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [0,1,0,1,0,0|0,0,2]=4 18042 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 18043 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [0,1,0,1,0,0|0,0,2]=4 18044 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 18045 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [0,1,0,1,0,0|0,0,2]=4 18046 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [0,1,0,1,0,0|0,0,2]=4 18047 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [0,1,0,1,0,0|0,0,2]=4 18048 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [0,1,0,1,0,0|0,0,2]=4 18049 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 18050 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 18051 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000210647_100000757094 [0,1,0,1,0,0|1,0,1]=4 18052 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000766728_100000210327 [0,1,0,1,0,0|1,0,1]=4 18053 B13R1.24 C=CCCCC(=O)C1CCCCO1 1458a_100000748299_100000757094 [0,1,0,1,0,0|0,0,1]=3 18054 B13R1.24 C=CCCCC(=O)C1COCCO1 1458a_100000045528_100000757094 [0,1,0,1,0,0|1,0,1]=4 18055 B13R1.24 C=CCCCN(C)C1CCCCC1 2230a_100000207522_100011713584 [0,1,0,1,0,0|2,0,0]=4 18056 B13R1.24 C=CCCCN(C)C1CCCCC1 269982a_100000207522_100000757094 [0,1,0,1,0,0|2,0,0]=4 18057 B13R1.24 C=CCCCN(C)C1CCCCC1 34a_100000207522_100000757094 [0,1,0,1,0,0|2,0,0]=4 18058 B13R1.24 C=CCCNC(=O)C1CCCCO1 11a_100015191253_100000748299 [0,1,0,1,0,0|1,0,1]=4 18059 B13R1.24 C=CCCNC(=O)C1CCCCO1 1626a_100015191253_100000748299 [0,1,0,1,0,0|1,0,1]=4 18060 B13R1.24 C=CCCNC(=O)C1CCCCO1 240690a_100015191253_100000748299 [0,1,0,1,0,0|1,0,1]=4 18061 B13R1.24 C=CCCNC(=O)C1CCCCO1 527a_100015191253_100000748299 [0,1,0,1,0,0|1,0,1]=4 18062 B13R1.24 C=CCCNC(C)C1CCCCC1 269862a_100015191253_100000210989 [0,1,0,1,0,0|2,0,0]=4 18063 B13R1.24 C=CCCNC(C)C1CCCCN1 269862a_100015191253_200011997754 [0,1,0,1,0,0|2,0,0]=4 18064 B13R1.24 C=CCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000754431 [0,1,0,1,0,0|2,0,0]=4 18065 B13R1.24 C=CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000754431 [0,1,0,1,0,0|2,0,0]=4 18066 B13R1.24 C=CCCOC(C)C1CCCCC1 34a_100011216961_100000754431 [0,1,0,1,0,0|2,0,0]=4 18067 B13R1.24 C=CCCOC(C)C1CCCCC1 7a_100011216961_100000754431 [0,1,0,1,0,0|2,0,0]=4 18068 B13R1.24 C=CCOC[C@H](N)C1CCCCC1 34a_100009817630_100015514636 [0,1,0,1,0,0|2,0,0]=4 18069 B13R1.24 C=COCCC(=O)C1CCCCO1 1458a_100000748299_100000039644 [0,1,0,1,0,0|1,0,1]=4 18070 B13R1.24 CCCCCC(=O)C1C=CCCC1 1458a_100000212188_100000751183 [0,1,0,1,0,0|1,0,1]=4 18071 B13R1.24 CCCCCN(C)C1C=CCCC1 2230a_100000223495_100000751183 [0,1,0,1,0,0|2,0,0]=4 18072 B13R1.24 CCCCCN(C)C1C=CCCC1 269982a_100000223495_100000751183 [0,1,0,1,0,0|2,0,0]=4 18073 B13R1.24 CN(CCCCO)C1C=CCCC1 2230a_100000717598_100000751183 [0,1,0,1,0,0|1,0,0]=3 18074 B13R1.24 CN(CCCCO)C1C=CCCC1 269982a_100000717598_100000751183 [0,1,0,1,0,0|1,0,0]=3 18075 B13R1.24 O=C(CCCCO)C1C=CCCC1 1458a_100000695505_100000751183 [0,1,0,1,0,0|0,0,1]=3 18076 B13R1.24 O=C(COCCO)C1C=CCCC1 1458a_100000708028_100000751183 [0,1,0,1,0,0|1,0,1]=4 18077 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100000210718_100011215482 [0,1,0,1,0,0|1,0,1]=4 18078 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100011215552_100000179811 [0,1,0,1,0,0|1,0,1]=4 18079 B13R1.48 C=CCCCCC(=O)C1CCCS1 1458a_100012002731_100011215482 [0,1,0,1,0,0|0,1,1]=4 18080 B13R1.48 C=CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215482 [0,1,0,1,0,0|0,0,1]=3 18081 B13R1.48 C=CCCCCN(C)C1CCCC1 2230a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 18082 B13R1.48 C=CCCCCN(C)C1CCCC1 2230a_100012000471_100000179811 [0,1,0,1,0,0|2,0,0]=4 18083 B13R1.48 C=CCCCCN(C)C1CCCC1 269982a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 18084 B13R1.48 C=CCCCCN(C)C1CCCC1 269982a_100012000471_100000179811 [0,1,0,1,0,0|2,0,0]=4 18085 B13R1.48 C=CCCCCN(C)C1CCCC1 270004a_100012000471_100000210133 [0,1,0,1,0,0|2,0,0]=4 18086 B13R1.48 C=CCCCCN(C)C1CCCC1 34a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 18087 B13R1.48 C=CCCCNC(=O)[C@@H]1CCCO1 11a_100000700776_100000686382 [0,1,0,1,0,0|1,0,1]=4 18088 B13R1.48 C=CCCCNC(=O)[C@@H]1CCCO1 1626a_100000700776_100000686382 [0,1,0,1,0,0|1,0,1]=4 18089 B13R1.48 C=CCCCNC(=O)[C@@H]1CCCO1 240690a_100000700776_100000686382 [0,1,0,1,0,0|1,0,1]=4 18090 B13R1.48 C=CCCCNC(=O)[C@@H]1CCCO1 527a_100000700776_100000686382 [0,1,0,1,0,0|1,0,1]=4 18091 B13R1.48 C=CCCCNC(C)C1CCCC1 2230a_100015185923_100011713584 [0,1,0,1,0,0|2,0,0]=4 18092 B13R1.48 C=CCCCNC(C)C1CCCC1 269862a_100000700776_100000749594 [0,1,0,1,0,0|2,0,0]=4 18093 B13R1.48 C=CCCCNC(C)C1CCCC1 270004a_100000700776_100000749594 [0,1,0,1,0,0|2,0,0]=4 18094 B13R1.48 C=CCCCNC(C)C1CCCC1 34a_100015185923_100000757094 [0,1,0,1,0,0|2,0,0]=4 18095 B13R1.48 C=CCCCNC(C)C1CCCO1 2230a_100025754208_100011713584 [0,1,0,1,0,0|1,0,0]=3 18096 B13R1.48 C=CCCCNC(C)C1CCCO1 34a_100025754208_100000757094 [0,1,0,1,0,0|1,0,0]=3 18097 B13R1.48 C=CCCCOC(C)C1CCCC1 34a_100011216366_100000757094 [0,1,0,1,0,0|2,0,0]=4 18098 B13R1.48 C=CCCCOC(C)C1CCCC1 7a_100011216366_100000757094 [0,1,0,1,0,0|2,0,0]=4 18099 B13R1.48 C=COCCNC(C)C1CCCO1 2230a_100025754208_100000039644 [0,1,0,1,0,0|2,0,0]=4 18100 B13R1.48 C=COCCNC(C)C1CCCO1 34a_100025754208_100000039644 [0,1,0,1,0,0|2,0,0]=4 18101 B13R1.48 CC(NCCCC=O)C1CCCO1 2230a_100025754208_200011292268 [0,1,0,1,0,0|2,0,0]=4 18102 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000210891_100000757094 [0,1,0,1,0,0|1,0,1]=4 18103 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000766728_100000740388 [0,1,0,1,0,0|1,0,1]=4 18104 B13R1.156 C=CCCCC(=O)CC1CCCO1 1458a_100000766728_100000203698 [0,1,0,1,0,0|0,0,1]=3 18105 B13R1.156 C=CCCCC(=O)CC1OCCO1 1458a_100000766728_100000755774 [0,1,0,1,0,0|1,0,1]=4 18106 B13R1.156 C=CCCCN(C)CC1CCCO1 2230a_100102946541_100011713584 [0,1,0,1,0,0|1,0,0]=3 18107 B13R1.156 C=CCCCN(C)CC1CCCO1 269982a_100102946541_100000757094 [0,1,0,1,0,0|1,0,0]=3 18108 B13R1.156 C=CCCCN(C)CC1CCCO1 34a_100102946541_100000757094 [0,1,0,1,0,0|1,0,0]=3 18109 B13R1.156 C=CCCCN(C)CC1OCCO1 2230a_200000032744_100011713584 [0,1,0,1,0,0|2,0,0]=4 18110 B13R1.156 C=CCCCN(C)CC1OCCO1 269982a_200000032744_100000757094 [0,1,0,1,0,0|2,0,0]=4 18111 B13R1.156 C=CCCCN(C)CC1OCCO1 34a_200000032744_100000757094 [0,1,0,1,0,0|2,0,0]=4 18112 B13R1.156 C=CCCNC(C)CC1CCCC1 270004a_100015191253_100000692464 [0,1,0,1,0,0|2,0,0]=4 18113 B13R1.156 C=CCSCC(=O)CC1CCCO1 1458a_100000230395_100000203698 [0,1,0,1,0,0|1,0,1]=4 18114 B13R1.156 C=COCCN(C)CC1CCCO1 2230a_100102946541_100000039644 [0,1,0,1,0,0|2,0,0]=4 18115 B13R1.156 C=COCCN(C)CC1CCCO1 269982a_100102946541_100000039644 [0,1,0,1,0,0|2,0,0]=4 18116 B13R1.156 C=COCCN(C)CC1CCCO1 34a_100102946541_100000039644 [0,1,0,1,0,0|2,0,0]=4 18117 B13R1.156 CC(CC1C=CCC1)NCCCF 270004a_100015189416_100000116859 [0,1,0,1,0,0|2,0,0]=4 18118 B13R1.156 CC(CC1C=CCC1)NCCCO 270004a_100000182051_100000116859 [0,1,0,1,0,0|1,0,0]=3 18119 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,1,0,1,0,0|1,0,1]=4 18120 B13R1.156 CCCCNC(C)CC1C=CCC1 270004a_100000102301_100000116859 [0,1,0,1,0,0|2,0,0]=4 18121 B13R1.156 CN(CCCC=O)CC1CCCO1 2230a_100102946541_200011292268 [0,1,0,1,0,0|2,0,0]=4 18122 B13R1.156 CN(CCCC=O)CC1CCCO1 269982a_100102946541_200011292268 [0,1,0,1,0,0|2,0,0]=4 18123 B13R1.156 O=C(CC1C=CCC1)NCCCO 240690a_100000182051_100000212241 [0,1,0,1,0,0|1,0,1]=4 18124 B13R1.156 O=C(CC1C=CCC1)NCCCO 527a_100000182051_100000212241 [0,1,0,1,0,0|1,0,1]=4 18125 B13R1.156 O=C(CCCCF)CC1C=CCC1 1458a_100000212241_100000729493 [0,1,0,1,0,0|1,0,1]=4 18126 B13R1.156 O=C(CCCCO)CC1C=CCC1 1458a_100000212241_100000210776 [0,1,0,1,0,0|0,0,1]=3 18127 B13R1.189 C=CCCCCN1CCC(C1)CO 2230a_100000748654_100011215482 [0,1,0,1,0,0|1,0,0]=3 18128 B13R1.189 C=CCCCCN1CCC(C1)CO 269982a_100000748654_100011215482 [0,1,0,1,0,0|1,0,0]=3 18129 B13R1.189 C=CCCCCN1CCC(C1)CO 34a_100000748654_100011215482 [0,1,0,1,0,0|1,0,0]=3 18130 B13R1.189 C=CCCCNC1CCC(C1)CC 270004a_100000700776_100011218773 [0,1,0,1,0,0|2,0,0]=4 18131 B13R1.189 C=CCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000754431 [0,1,0,1,0,0|1,0,0]=3 18132 B13R1.189 C=CCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000754431 [0,1,0,1,0,0|2,0,0]=4 18133 B13R1.189 O=CCCCCN1CCC(C1)CO 2230a_100000748654_100000139335 [0,1,0,1,0,0|2,0,0]=4 18134 B13R1.189 O=CCCCCN1CCC(C1)CO 269982a_100000748654_100000139335 [0,1,0,1,0,0|2,0,0]=4 18135 B13R1.666 C=CCCCN1CCCC(C1)CF 2230a_100016992999_100011713584 [0,1,0,1,0,0|2,0,0]=4 18136 B13R1.666 C=CCCCN1CCCC(C1)CF 269982a_100016992999_100000757094 [0,1,0,1,0,0|2,0,0]=4 18137 B13R1.666 C=CCCCN1CCCC(C1)CF 34a_100016992999_100000757094 [0,1,0,1,0,0|2,0,0]=4 18138 B13R1.666 C=CCCCN1CCCC(C1)CO 2230a_100000211344_100011713584 [0,1,0,1,0,0|1,0,0]=3 18139 B13R1.666 C=CCCCN1CCCC(C1)CO 269982a_100000211344_100000757094 [0,1,0,1,0,0|1,0,0]=3 18140 B13R1.666 C=CCCCN1CCCC(C1)CO 34a_100000211344_100000757094 [0,1,0,1,0,0|1,0,0]=3 18141 B13R1.666 C=CCCCN1CCO[C@@H](C1)CO 2230a_100015189573_100011713584 [0,1,0,1,0,0|2,0,0]=4 18142 B13R1.666 C=CCCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000757094 [0,1,0,1,0,0|2,0,0]=4 18143 B13R1.666 C=CCCCN1CCO[C@@H](C1)CO 34a_100015189573_100000757094 [0,1,0,1,0,0|2,0,0]=4 18144 B13R1.666 C=CCCNC1CCCC(C1)CC 270004a_100015191253_100000756783 [0,1,0,1,0,0|2,0,0]=4 18145 B13R1.666 C=CCCOC1CCCC(C1)CC 7a_100011985506_100000754431 [0,1,0,1,0,0|2,0,0]=4 18146 B13R1.666 C=CCCOC1CCCC(C1)CN 34a_100011254705_100000754431 [0,1,0,1,0,0|2,0,0]=4 18147 B13R1.666 C=COCCN1CCCC(C1)CO 2230a_100000211344_100000039644 [0,1,0,1,0,0|2,0,0]=4 18148 B13R1.666 C=COCCN1CCCC(C1)CO 269982a_100000211344_100000039644 [0,1,0,1,0,0|2,0,0]=4 18149 B13R1.666 C=COCCN1CCCC(C1)CO 34a_100000211344_100000039644 [0,1,0,1,0,0|2,0,0]=4 18150 B13R1.666 O=CCCCN1CCCC(C1)CO 2230a_100000211344_200011292268 [0,1,0,1,0,0|2,0,0]=4 18151 B13R1.666 O=CCCCN1CCCC(C1)CO 269982a_100000211344_200011292268 [0,1,0,1,0,0|2,0,0]=4 18152 B13R1.725 C=CCCCC(=O)C1CCCC1C 1458a_100000690547_100000757094 [0,1,0,1,0,0|1,0,1]=4 18153 B13R1.725 CN(CCCCO)C1CCCC1=O 2230a_100000717598_100000211823 [0,1,0,1,0,0|2,0,0]=4 18154 B13R1.725 CN(CCCCO)C1CCCC1=O 269982a_100000717598_100000211823 [0,1,0,1,0,0|2,0,0]=4 18155 B13R1.725 O=C(CCCCO)C1CCCC1=O 1458a_100000695505_100000211823 [0,1,0,1,0,0|1,0,1]=4 18156 B13R1.728 C=CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000766728 [0,1,0,1,0,0|1,0,1]=4 18157 B13R1.728 C=CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000766728 [0,1,0,1,0,0|1,0,1]=4 18158 B13R1.728 C=CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000766728 [0,1,0,1,0,0|1,0,1]=4 18159 B13R1.728 C=CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000766728 [0,1,0,1,0,0|1,0,1]=4 18160 B13R1.729 C=CCCCC(=O)CCCC1CO1 1458a_100000766728_100000733510 [0,1,0,1,0,0|0,0,1]=3 18161 B13R1.729 C=CCSCC(=O)CCCC1CO1 1458a_100000230395_100000733510 [0,1,0,1,0,0|1,0,1]=4 18162 B13R1.1148 C=CCCCN1CCCCC(C1)O 2230a_100025706797_100011713584 [0,1,0,1,0,0|1,0,0]=3 18163 B13R1.1148 C=CCCCN1CCCCC(C1)O 269982a_100025706797_100000757094 [0,1,0,1,0,0|1,0,0]=3 18164 B13R1.1148 C=CCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100011713584 [0,1,0,1,0,0|2,0,0]=4 18165 B13R1.1148 C=CCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000757094 [0,1,0,1,0,0|2,0,0]=4 18166 B13R1.1148 C=COCCN1CCCCC(C1)O 2230a_100025706797_100000039644 [0,1,0,1,0,0|2,0,0]=4 18167 B13R1.1148 C=COCCN1CCCCC(C1)O 269982a_100025706797_100000039644 [0,1,0,1,0,0|2,0,0]=4 18168 B13R1.1148 O=CCCCN1CCCCC(C1)O 2230a_100025706797_200011292268 [0,1,0,1,0,0|2,0,0]=4 18169 B13R1.1148 O=CCCCN1CCCCC(C1)O 269982a_100025706797_200011292268 [0,1,0,1,0,0|2,0,0]=4 18170 B13R1.2465 C=CCCNC1(CCCCCC1)C 2230a_100000704638_100000754431 [0,1,0,1,0,0|2,0,0]=4 18171 B13R1.2465 C=CCCNC1(CCCCCC1)C 34a_100000704638_100000754431 [0,1,0,1,0,0|2,0,0]=4 18172 B13R1.2465 C=CCCOC1(CCCCCC1)C 34a_100000708895_100000754431 [0,1,0,1,0,0|2,0,0]=4 18173 B13R1.2465 C=CCCOC1(CCCCCC1)C 7a_100000708895_100000754431 [0,1,0,1,0,0|2,0,0]=4 18174 B13R1.2914 C=CCCCCC(=O)C1CC1CC 1458a_200011661523_100011215482 [0,1,0,1,0,0|1,0,1]=4 18175 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100000763092_100011215482 [0,1,0,1,0,0|1,0,1]=4 18176 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100011215552_100000763275 [0,1,0,1,0,0|1,0,1]=4 18177 B13R1.2916 C=CCCCCC(=O)CC1CCO1 1458a_100011215552_100000103362 [0,1,0,1,0,0|0,0,1]=3 18178 B13R1.2916 C=CCCCCN(C)CC1CCC1 2230a_100012000471_100000763275 [0,1,0,1,0,0|2,0,0]=4 18179 B13R1.2916 C=CCCCCN(C)CC1CCC1 2230a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 18180 B13R1.2916 C=CCCCCN(C)CC1CCC1 269982a_100012000471_100000763275 [0,1,0,1,0,0|2,0,0]=4 18181 B13R1.2916 C=CCCCCN(C)CC1CCC1 269982a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 18182 B13R1.2916 C=CCCCCN(C)CC1CCC1 34a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 18183 B13R1.2916 C=CCCCCN(C)CC1CCO1 2230a_100012000471_100000103362 [0,1,0,1,0,0|1,0,0]=3 18184 B13R1.2916 C=CCCCCN(C)CC1CCO1 269982a_100012000471_100000103362 [0,1,0,1,0,0|1,0,0]=3 18185 B13R1.2916 C=CCOCCC(=O)CC1CCO1 1458a_200011217002_100000103362 [0,1,0,1,0,0|1,0,1]=4 18186 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100000756386_100011215482 [0,1,0,1,0,0|1,0,1]=4 18187 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100011215552_100000694398 [0,1,0,1,0,0|1,0,1]=4 18188 B13R1.2917 C=CCCCCC(=O)CCC1CO1 1458a_100011215552_100000732470 [0,1,0,1,0,0|0,0,1]=3 18189 B13R1.2917 C=CCCCCN(C)CCC1CC1 2230a_100012000471_100000694398 [0,1,0,1,0,0|2,0,0]=4 18190 B13R1.2917 C=CCCCCN(C)CCC1CC1 269982a_100012000471_100000694398 [0,1,0,1,0,0|2,0,0]=4 18191 B13R1.2917 C=CCCCCN(C)CCC1CO1 2230a_100012000471_100000732470 [0,1,0,1,0,0|1,0,0]=3 18192 B13R1.2917 C=CCCCCN(C)CCC1CO1 269982a_100012000471_100000732470 [0,1,0,1,0,0|1,0,0]=3 18193 B13R1.2917 C=CCOCCC(=O)CCC1CO1 1458a_200011217002_100000732470 [0,1,0,1,0,0|1,0,1]=4 18194 B13R1.2918 CN(CCCCCO)C1CCC1=O 269982a_100000722520_100009892977 [0,1,0,1,0,0|2,0,0]=4 18195 B13R1.2918 O=C(CCCCCO)C1CCC1=O 1458a_100102619762_100009892977 [0,1,0,1,0,0|1,0,1]=4 18196 B13R1.3674 C=CCCCNC1(CCCCC1)C 2230a_100000741114_100011713584 [0,1,0,1,0,0|2,0,0]=4 18197 B13R1.3674 C=CCCCNC1(CCCCC1)C 34a_100000741114_100000757094 [0,1,0,1,0,0|2,0,0]=4 18198 B13R1.3674 C=CCCCOC1(CCCCC1)C 34a_100011215885_100000757094 [0,1,0,1,0,0|2,0,0]=4 18199 B13R1.3674 C=CCCCOC1(CCCCC1)C 7a_100011215885_100000757094 [0,1,0,1,0,0|2,0,0]=4 18200 B13R1.3674 C=CCCNCC1(CCCCC1)C 2230a_100000706052_100000754431 [0,1,0,1,0,0|2,0,0]=4 18201 B13R1.3674 C=CCCNCC1(CCCCC1)C 269862a_100015191253_100011935227 [0,1,0,1,0,0|2,0,0]=4 18202 B13R1.3674 C=CCCNCC1(CCCCC1)C 34a_100000706052_100000754431 [0,1,0,1,0,0|2,0,0]=4 18203 B13R1.3674 C=CCCNCC1(CCCCC1)O 2230a_100000748649_100000754431 [0,1,0,1,0,0|2,0,0]=4 18204 B13R1.3674 C=CCCNCC1(CCCCC1)O 34a_100000748649_100000754431 [0,1,0,1,0,0|2,0,0]=4 18205 B13R1.3674 C=CCCOCC1(CCCCC1)C 34a_100000688186_100000754431 [0,1,0,1,0,0|2,0,0]=4 18206 B13R1.3674 C=CCCOCC1(CCCCC1)C 7a_100000688186_100000754431 [0,1,0,1,0,0|2,0,0]=4 18207 B13R1.3674 C=CCCOCC1(CCCCC1)F 34a_100000090305_100000754431 [0,1,0,1,0,0|2,0,0]=4 18208 B13R1.3674 C=CCCOCC1(CCCCC1)F 7a_100000090305_100000754431 [0,1,0,1,0,0|2,0,0]=4 18209 B13R1.3674 C=CCCOCC1(CCCCC1)N 34a_100000740034_100000754431 [0,1,0,1,0,0|2,0,0]=4 18210 B13R1.3674 C=CCNCCC1(CCCCC1)O 2230a_100102740465_100000210623 [0,1,0,1,0,0|2,0,0]=4 18211 B13R1.3674 C=CCNCCC1(CCCCC1)O 34a_100102740465_100015514636 [0,1,0,1,0,0|2,0,0]=4 18212 B13R1.4964 C=CCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000757094 [0,1,0,1,0,0|2,0,0]=4 18213 B13R1.8919 C=CCCCN1C(CCCC1C)C 2230a_100000210447_100011713584 [0,1,0,1,0,0|2,0,0]=4 18214 B13R1.8919 C=CCCCN1C(CCCC1C)C 269982a_100000210447_100000757094 [0,1,0,1,0,0|2,0,0]=4 18215 B13R1.8919 C=CCCCN1C(CCCC1C)C 34a_100000210447_100000757094 [0,1,0,1,0,0|2,0,0]=4 18216 B13R1.8919 C=CCCNC1C(CCCC1C)C 269862a_100015191253_100000211995 [0,1,0,1,0,0|2,0,0]=4 18217 B13R1.8919 C=CCCOC1C(CCCC1C)C 34a_100011218088_100000754431 [0,1,0,1,0,0|2,0,0]=4 18218 B13R1.8919 C=CCCOC1C(CCCC1C)C 7a_100011218088_100000754431 [0,1,0,1,0,0|2,0,0]=4 18219 B13R1.27 C=CCCCCCN1CCC(C1)O 2230a_100011215560_100000700193 [0,1,0,1,0,0|1,0,0]=3 18220 B13R1.27 C=CCCCCCN1CCC(C1)O 269982a_100011215560_100000700193 [0,1,0,1,0,0|1,0,0]=3 18221 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 18222 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 18223 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 18224 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 18225 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 18226 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 18227 B13R1.27 C=CCCCCNC1CCC(C1)C 270004a_100000703577_100011215218 [0,1,0,1,0,0|2,0,0]=4 18228 B13R1.27 C=CCCCCNC1CCC(C1)O 270004a_100000703577_100012614533 [0,1,0,1,0,0|1,0,0]=3 18229 B13R1.27 C=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215482 [0,1,0,1,0,0|1,0,0]=3 18230 B13R1.27 C=CCCCCOC1CCC(C1)C 34a_100000698185_100011215482 [0,1,0,1,0,0|2,0,0]=4 18231 B13R1.27 C=CCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000757094 [0,1,0,1,0,0|2,0,0]=4 18232 B13R1.27 C=COCCCNC1CCC(C1)O 270004a_100000210767_100012614533 [0,1,0,1,0,0|2,0,0]=4 18233 B13R1.27 CCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000718602 [0,1,0,1,0,0|2,0,0]=4 18234 B13R1.27 N[C@H]1C=C[C@H](C1)COCCCCF 34a_100020646542_100000729493 [0,1,0,1,0,0|2,0,0]=4 18235 B13R1.27 N[C@H]1C=C[C@H](C1)COCCCCO 34a_100020646542_100011216708 [0,1,0,1,0,0|1,0,0]=3 18236 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|1,0,1]=4 18237 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,1,0,1,0,0|2,0,0]=4 18238 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,1,0,1,0,0|2,0,0]=4 18239 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,1,0,1,0,0|2,0,0]=4 18240 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,1,0,1,0,0|2,0,0]=4 18241 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 18242 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,1,0,1,0,0|2,0,0]=4 18243 B13R1.27 O=CCCCCCN1CCC(C1)O 2230a_100011215560_100000139337 [0,1,0,1,0,0|2,0,0]=4 18244 B13R1.27 O=CCCCCCN1CCC(C1)O 269982a_100011215560_100000139337 [0,1,0,1,0,0|2,0,0]=4 18245 B13R1.27 O=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000139335 [0,1,0,1,0,0|2,0,0]=4 18246 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000211666_100000754431 [0,1,0,1,0,0|1,0,1]=4 18247 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000749702_100000211423 [0,1,0,1,0,0|1,0,1]=4 18248 B13R1.44 C=CCCC(=O)CC1CCCCO1 1458a_100000238585_100000754431 [0,1,0,1,0,0|0,0,1]=3 18249 B13R1.44 C=CCCC(=O)CC1CCCCO1 1458a_100000749702_100000211543 [0,1,0,1,0,0|0,0,1]=3 18250 B13R1.44 C=CCCC(C)NC1CCCCC1 270004a_100000182618_100000762624 [0,1,0,1,0,0|2,0,0]=4 18251 B13R1.44 C=CCCC(C)OC1CCCCC1 34a_100000765329_100000210327 [0,1,0,1,0,0|2,0,0]=4 18252 B13R1.44 C=CCCC(C)OC1CCCCC1 7a_100000765329_100000210327 [0,1,0,1,0,0|2,0,0]=4 18253 B13R1.44 C=CCCN(C)CC1CCCCC1 2230a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 18254 B13R1.44 C=CCCN(C)CC1CCCCC1 2230a_100020639649_100000211423 [0,1,0,1,0,0|2,0,0]=4 18255 B13R1.44 C=CCCN(C)CC1CCCCC1 269982a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 18256 B13R1.44 C=CCCN(C)CC1CCCCC1 269982a_100020639649_100000211423 [0,1,0,1,0,0|2,0,0]=4 18257 B13R1.44 C=CCCN(C)CC1CCCCC1 34a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 18258 B13R1.44 C=CCCN(C)CC1CCCCO1 2230a_100000225654_100000754431 [0,1,0,1,0,0|1,0,0]=3 18259 B13R1.44 C=CCCN(C)CC1CCCCO1 2230a_100020639649_100000211543 [0,1,0,1,0,0|1,0,0]=3 18260 B13R1.44 C=CCCN(C)CC1CCCCO1 269982a_100000225654_100000754431 [0,1,0,1,0,0|1,0,0]=3 18261 B13R1.44 C=CCCN(C)CC1CCCCO1 269982a_100020639649_100000211543 [0,1,0,1,0,0|1,0,0]=3 18262 B13R1.44 C=CCCN(C)CC1CCCCO1 34a_100000225654_100000754431 [0,1,0,1,0,0|1,0,0]=3 18263 B13R1.44 C=CCCN(C)CC1COCCO1 2230a_100011398995_100000754431 [0,1,0,1,0,0|2,0,0]=4 18264 B13R1.44 C=CCCN(C)CC1COCCO1 269982a_100011398995_100000754431 [0,1,0,1,0,0|2,0,0]=4 18265 B13R1.44 C=CCCN(C)CC1COCCO1 34a_100011398995_100000754431 [0,1,0,1,0,0|2,0,0]=4 18266 B13R1.44 C=CCNC(=O)CC1CCCCO1 1626a_100020586998_100000238585 [0,1,0,1,0,0|1,0,1]=4 18267 B13R1.44 C=CCNC(=O)CC1CCCCO1 240690a_100020586998_100000238585 [0,1,0,1,0,0|1,0,1]=4 18268 B13R1.44 C=CCNC(=O)CC1CCCCO1 527a_100020586998_100000238585 [0,1,0,1,0,0|1,0,1]=4 18269 B13R1.44 C=CCNC(C)CC1CCCCC1 270004a_100020586998_100011215996 [0,1,0,1,0,0|2,0,0]=4 18270 B13R1.44 CC(CCCCl)OC1C=CCCC1 7a_200000718107_100000751183 [0,1,0,1,0,0|2,0,0]=4 18271 B13R1.44 CCCCC(C)NC1C=CCCC1 2230a_100000126638_100000751183 [0,1,0,1,0,0|2,0,0]=4 18272 B13R1.44 CCCCC(C)OC1C=CCCC1 34a_100011215024_200011215066 [0,1,0,1,0,0|2,0,0]=4 18273 B13R1.44 CCCCC(C)OC1C=CCCC1 7a_100000687866_100000751183 [0,1,0,1,0,0|2,0,0]=4 18274 B13R1.44 CCCCC(C)SC1C=CCCC1 62a_100000751183_200011215066 [0,1,0,1,0,0|2,0,0]=4 18275 B13R1.44 CCCCC(C)SC1C=CCCC1 62a_200011215066_100000751183 [0,1,0,1,0,0|2,0,0]=4 18276 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000211120_100000754431 [0,1,0,1,0,0|1,0,1]=4 18277 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000749702_100000760354 [0,1,0,1,0,0|1,0,1]=4 18278 B13R1.153 C=CCCC(=O)CCC1CCCO1 1458a_100011247709_100000754431 [0,1,0,1,0,0|0,0,1]=3 18279 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000082924_100000754431 [0,1,0,1,0,0|1,0,1]=4 18280 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000749702_100000740749 [0,1,0,1,0,0|1,0,1]=4 18281 B13R1.153 C=CCCC(=O)CCN1CCCO1 1458a_200015187630_100000754431 [0,1,0,1,0,0|1,0,1]=4 18282 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000749702 [0,1,0,1,0,0|1,0,1]=4 18283 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000749702 [0,1,0,1,0,0|1,0,1]=4 18284 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000749702 [0,1,0,1,0,0|1,0,1]=4 18285 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000749702 [0,1,0,1,0,0|1,0,1]=4 18286 B13R1.153 C=CCCC(C)NCC1CCCC1 270004a_100000737975_100000762624 [0,1,0,1,0,0|2,0,0]=4 18287 B13R1.153 C=CCCC(C)NCC1OCCO1 270004a_100000036311_100000762624 [0,1,0,1,0,0|2,0,0]=4 18288 B13R1.153 C=CCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000762624 [0,1,0,1,0,0|1,0,0]=3 18289 B13R1.153 C=CCCC(C)OCC1CCCC1 34a_100000765329_100000740388 [0,1,0,1,0,0|2,0,0]=4 18290 B13R1.153 C=CCCC(C)OCC1CCCC1 7a_100000765329_100000740388 [0,1,0,1,0,0|2,0,0]=4 18291 B13R1.153 C=CCCC(C)OCC1CCCO1 7a_100000765329_100000203698 [0,1,0,1,0,0|1,0,0]=3 18292 B13R1.153 C=CCCC(C)OCC1OCCO1 34a_100000765329_100000755774 [0,1,0,1,0,0|2,0,0]=4 18293 B13R1.153 C=CCCC(C)OCC1OCCO1 7a_100000765329_100000755774 [0,1,0,1,0,0|2,0,0]=4 18294 B13R1.153 C=CCCN(C)CCC1CCCC1 2230a_100020639649_100000760354 [0,1,0,1,0,0|2,0,0]=4 18295 B13R1.153 C=CCCN(C)CCC1CCCC1 269982a_100020639649_100000760354 [0,1,0,1,0,0|2,0,0]=4 18296 B13R1.153 C=CCCN(C)CCC1OCCO1 2230a_100020639649_100000740749 [0,1,0,1,0,0|2,0,0]=4 18297 B13R1.153 C=CCCN(C)CCC1OCCO1 269982a_100020639649_100000740749 [0,1,0,1,0,0|2,0,0]=4 18298 B13R1.153 C=CCNC(=O)CCC1CCCO1 1626a_100020586998_100011247709 [0,1,0,1,0,0|1,0,1]=4 18299 B13R1.153 C=CCNC(=O)CCC1CCCO1 240690a_100020586998_100011247709 [0,1,0,1,0,0|1,0,1]=4 18300 B13R1.153 C=CCNC(=O)CCC1CCCO1 527a_100020586998_100011247709 [0,1,0,1,0,0|1,0,1]=4 18301 B13R1.656 C=CCCNC1CC(CCC1C)C 269862a_100015191253_100000034887 [0,1,0,1,0,0|2,0,0]=4 18302 B13R1.656 C=CCCNC1CC(CCC1C)C 270004a_100015191253_100000034887 [0,1,0,1,0,0|2,0,0]=4 18303 B13R1.656 C=CCCOC1CC(CCC1C)C 34a_100011217446_100000754431 [0,1,0,1,0,0|2,0,0]=4 18304 B13R1.656 C=CCCOC1CC(CCC1C)C 7a_100011217446_100000754431 [0,1,0,1,0,0|2,0,0]=4 18305 B13R1.660 C=CCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011713584 [0,1,0,1,0,0|1,0,0]=3 18306 B13R1.660 C=CCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000757094 [0,1,0,1,0,0|1,0,0]=3 18307 B13R1.660 C=CCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100011713584 [0,1,0,1,0,0|1,0,0]=3 18308 B13R1.660 C=CCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000757094 [0,1,0,1,0,0|1,0,0]=3 18309 B13R1.660 C=CCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000757094 [0,1,0,1,0,0|1,0,0]=3 18310 B13R1.660 C=COCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000039644 [0,1,0,1,0,0|2,0,0]=4 18311 B13R1.660 C=COCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000039644 [0,1,0,1,0,0|2,0,0]=4 18312 B13R1.660 C=COCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000039644 [0,1,0,1,0,0|2,0,0]=4 18313 B13R1.660 C=COCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000039644 [0,1,0,1,0,0|2,0,0]=4 18314 B13R1.660 C=COCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000039644 [0,1,0,1,0,0|2,0,0]=4 18315 B13R1.660 O=CCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200011292268 [0,1,0,1,0,0|2,0,0]=4 18316 B13R1.660 O=CCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200011292268 [0,1,0,1,0,0|2,0,0]=4 18317 B13R1.660 O=CCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200011292268 [0,1,0,1,0,0|2,0,0]=4 18318 B13R1.660 O=CCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200011292268 [0,1,0,1,0,0|2,0,0]=4 18319 B13R1.674 C=CCCC(=O)C1CCCCC1C 1458a_100011215568_100000754431 [0,1,0,1,0,0|1,0,1]=4 18320 B13R1.674 C=CCCC(=O)C1CCCCC1O 1458a_100011803323_100000754431 [0,1,0,1,0,0|0,0,1]=3 18321 B13R1.674 C=CCCC(C)N1CCCCC1C 270004a_100000211376_100000762624 [0,1,0,1,0,0|2,0,0]=4 18322 B13R1.674 C=CCCN(C)C1CCCCC1C 270004a_100020639649_100000210921 [0,1,0,1,0,0|2,0,0]=4 18323 B13R1.674 C=CCCN(C)C1CCCCC1F 269982a_100020639649_100015423560 [0,1,0,1,0,0|2,0,0]=4 18324 B13R1.674 C=CCCN(C)C1CCCCC1O 269982a_100020639649_100000038908 [0,1,0,1,0,0|1,0,0]=3 18325 B13R1.674 C=CCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000754431 [0,1,0,1,0,0|1,0,0]=3 18326 B13R1.674 CN(CCCO)C1CCCCC1=O 269982a_100000213112_100000204591 [0,1,0,1,0,0|2,0,0]=4 18327 B13R1.676 C=CCCC(C)OCCCC1CO1 34a_100000765329_100000733510 [0,1,0,1,0,0|1,0,0]=3 18328 B13R1.676 C=CCCC(C)OCCCC1CO1 7a_100000765329_100000733510 [0,1,0,1,0,0|1,0,0]=3 18329 B13R1.677 CN(CCCO)CCC1CCC1=O 2230a_100000213112_200016118888 [0,1,0,1,0,0|2,0,0]=4 18330 B13R1.677 CN(CCCO)CCC1CCC1=O 269982a_100000213112_200016118888 [0,1,0,1,0,0|2,0,0]=4 18331 B13R1.677 C[C@H](CCCO)CNC1CCC1=O 34a_100160569302_100009892977 [0,1,0,1,0,0|2,0,0]=4 18332 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000749702 [0,1,0,1,0,0|1,0,1]=4 18333 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000749702 [0,1,0,1,0,0|1,0,1]=4 18334 B13R1.684 C=CCCC(C)N1CCCC1CC 270004a_100000754278_100000762624 [0,1,0,1,0,0|2,0,0]=4 18335 B13R1.684 C=CCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000762624 [0,1,0,1,0,0|1,0,0]=3 18336 B13R1.684 C=CCCN(C)C1CCCC1CC 270004a_100020639649_100000749056 [0,1,0,1,0,0|2,0,0]=4 18337 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000749702 [0,1,0,1,0,0|1,0,1]=4 18338 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000749702 [0,1,0,1,0,0|1,0,1]=4 18339 B13R1.686 C=CCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000762624 [0,1,0,1,0,0|1,0,0]=3 18340 B13R1.686 C=CCCC(C)N[C@H]1COC[C@@H]1O 270004a_100015191717_100000762624 [0,1,0,1,0,0|2,0,0]=4 18341 B13R1.686 C=CCCC(C)OC1COCC1O 34a_100000765329_200000725654 [0,1,0,1,0,0|2,0,0]=4 18342 B13R1.686 C=CCCC(C)OC1COCC1O 7a_100000765329_200000725654 [0,1,0,1,0,0|2,0,0]=4 18343 B13R1.1133 C=CCCCCN1C(CCC1C)C 2230a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 18344 B13R1.1133 C=CCCCCN1C(CCC1C)C 269982a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 18345 B13R1.1133 C=CCCCCN1C(CCC1C)C 34a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 18346 B13R1.1919 C=CCCN1CCOCC(C1)CO 2230a_100103147999_100000754431 [0,1,0,1,0,0|2,0,0]=4 18347 B13R1.1919 C=CCCN1CCOCC(C1)CO 269982a_100103147999_100000754431 [0,1,0,1,0,0|2,0,0]=4 18348 B13R1.1919 C=CCCN1CCOCC(C1)CO 34a_100103147999_100000754431 [0,1,0,1,0,0|2,0,0]=4 18349 B13R1.2436 C=CCCCCOC1(CCCC1)C 34a_100000751722_100011215482 [0,1,0,1,0,0|2,0,0]=4 18350 B13R1.2436 C=CCCCCOC1(CCCC1)C 7a_100000751722_100011215482 [0,1,0,1,0,0|2,0,0]=4 18351 B13R1.2436 C=CCCCNCC1(CCCC1)O 2230a_100000737848_100011713584 [0,1,0,1,0,0|2,0,0]=4 18352 B13R1.2436 C=CCCCNCC1(OCCO1)C 2230a_100000691740_100011713584 [0,1,0,1,0,0|2,0,0]=4 18353 B13R1.2436 C=CCCCOCC1(CCCC1)N 34a_100000749328_100000757094 [0,1,0,1,0,0|2,0,0]=4 18354 B13R1.2436 C=CCCCOC[C@@]1(CCCN1)C 34a_100016195882_100000757094 [0,1,0,1,0,0|2,0,0]=4 18355 B13R1.2436 C=CCCCSCC1(OCCO1)C 62a_100009818610_100000757094 [0,1,0,1,0,0|2,0,0]=4 18356 B13R1.2436 C=CCCCSCC1(OCCO1)C 62a_100011713584_100009818610 [0,1,0,1,0,0|2,0,0]=4 18357 B13R1.2436 C=CCCNCCC1(CCCC1)O 34a_100000719956_100000754431 [0,1,0,1,0,0|2,0,0]=4 18358 B13R1.2436 C=CCCNCCC1(OCCO1)C 2230a_100000073055_100000754431 [0,1,0,1,0,0|2,0,0]=4 18359 B13R1.2436 C=CCCNCCC1(OCCO1)C 2230a_100015191253_100000758764 [0,1,0,1,0,0|2,0,0]=4 18360 B13R1.2436 C=CCCOCCC1(OCCO1)C 34a_100011205117_100000758764 [0,1,0,1,0,0|2,0,0]=4 18361 B13R1.2436 C=CCCOCCC1(OCCO1)C 7a_100009861814_100000754431 [0,1,0,1,0,0|2,0,0]=4 18362 B13R1.2436 C=CCCSCCC1(OCCO1)C 62a_100000754431_100000758764 [0,1,0,1,0,0|2,0,0]=4 18363 B13R1.2436 C=CCCSCCC1(OCCO1)C 62a_100000758764_100000754431 [0,1,0,1,0,0|2,0,0]=4 18364 B13R1.2436 C=CCNCCCC1(OCCO1)C 2230a_100020586998_100000037737 [0,1,0,1,0,0|2,0,0]=4 18365 B13R1.2436 C=CCOCCCC1(OCCO1)C 34a_200000210373_100000037737 [0,1,0,1,0,0|2,0,0]=4 18366 B13R1.2436 C=CCSCCCC1(OCCO1)C 62a_100000037737_100000210623 [0,1,0,1,0,0|2,0,0]=4 18367 B13R1.2436 C=CCSCCCC1(OCCO1)C 62a_100000210623_100000037737 [0,1,0,1,0,0|2,0,0]=4 18368 B13R1.2439 C=CCCCCCN1CC(C1)CC 2230a_100015205115_100000700193 [0,1,0,1,0,0|2,0,0]=4 18369 B13R1.2439 C=CCCCCCN1CC(C1)CC 269982a_100015205115_100000700193 [0,1,0,1,0,0|2,0,0]=4 18370 B13R1.2439 C=CCCCCCN1CC(C1)CF 269982a_100010363649_100000700193 [0,1,0,1,0,0|2,0,0]=4 18371 B13R1.2439 C=CCCCCCN1CC(C1)CF 34a_100010363649_100000700193 [0,1,0,1,0,0|2,0,0]=4 18372 B13R1.2439 C=CCCCCCN1CC(C1)CO 269982a_100016987283_100000700193 [0,1,0,1,0,0|1,0,0]=3 18373 B13R1.2439 C=CCCCCCN1CC(C1)CO 34a_100016987283_100000700193 [0,1,0,1,0,0|1,0,0]=3 18374 B13R1.2439 C=CCCCCNC1CC(C1)CO 270004a_100000703577_100000101936 [0,1,0,1,0,0|1,0,0]=3 18375 B13R1.2439 C=CCCCCSC1CC(C1)CO 62a_100009874164_100011215482 [0,1,0,1,0,0|1,0,0]=3 18376 B13R1.2439 C=CCCCCSC1CC(C1)CO 62a_100011215482_100009874164 [0,1,0,1,0,0|1,0,0]=3 18377 B13R1.2439 C=COCCCNC1CC(C1)CO 270004a_100000210767_100000101936 [0,1,0,1,0,0|2,0,0]=4 18378 B13R1.2439 O=CCCCCCN1CC(C1)CO 269982a_100016987283_100000139337 [0,1,0,1,0,0|2,0,0]=4 18379 B13R1.2439 O=CCCCCSC1CC(C1)CO 62a_100000139335_100009874164 [0,1,0,1,0,0|2,0,0]=4 18380 B13R1.2439 O=CCCCCSC1CC(C1)CO 62a_100009874164_100000139335 [0,1,0,1,0,0|2,0,0]=4 18381 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749507_100000754431 [0,1,0,1,0,0|1,0,1]=4 18382 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749702_100011217769 [0,1,0,1,0,0|1,0,1]=4 18383 B13R1.2488 C=CCCC(C)N1CCCCCC1 270004a_100000185865_100000762624 [0,1,0,1,0,0|2,0,0]=4 18384 B13R1.2488 C=CCCN(C)C1CCCCCC1 2230a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 18385 B13R1.2488 C=CCCN(C)C1CCCCCC1 269982a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 18386 B13R1.2488 C=CCCN(C)C1CCCCCC1 269982a_100020639649_100011217769 [0,1,0,1,0,0|2,0,0]=4 18387 B13R1.2488 C=CCCN(C)C1CCCCCC1 270004a_100020639649_100000210131 [0,1,0,1,0,0|2,0,0]=4 18388 B13R1.2488 C=CCCN(C)C1CCCCCC1 34a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 18389 B13R1.3572 C=CCCCCCC(=O)C1CCC1 1458a_100000209988_100000700193 [0,1,0,1,0,0|1,0,1]=4 18390 B13R1.3572 C=CCCCCCC(=O)C1CCC1 1458a_100011934241_100000749161 [0,1,0,1,0,0|1,0,1]=4 18391 B13R1.3572 C=CCCCCCC(=O)C1CCO1 1458a_100000089072_100000700193 [0,1,0,1,0,0|0,0,1]=3 18392 B13R1.3572 C=CCCCCCN(C)C1CCC1 2230a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 18393 B13R1.3572 C=CCCCCCN(C)C1CCC1 269982a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 18394 B13R1.3572 C=CCCCCCN(C)C1CCC1 34a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 18395 B13R1.3572 C=CCCCCNC(=O)C1CCO1 11a_100000703577_100000089072 [0,1,0,1,0,0|1,0,1]=4 18396 B13R1.3572 C=CCCCCNC(=O)C1CCO1 1626a_100000703577_100000089072 [0,1,0,1,0,0|1,0,1]=4 18397 B13R1.3572 C=CCCCCNC(=O)C1CCO1 240690a_100000703577_100000089072 [0,1,0,1,0,0|1,0,1]=4 18398 B13R1.3572 C=CCCCCNC(=O)C1CCO1 527a_100000703577_100000089072 [0,1,0,1,0,0|1,0,1]=4 18399 B13R1.3572 C=CCCCCNC(C)C1CCC1 2230a_100016994624_100011215482 [0,1,0,1,0,0|2,0,0]=4 18400 B13R1.3572 C=CCCCCNC(C)C1CCC1 269862a_100000703577_100000760154 [0,1,0,1,0,0|2,0,0]=4 18401 B13R1.3572 C=CCCCCNC(C)C1CCC1 34a_100016994624_100011215482 [0,1,0,1,0,0|2,0,0]=4 18402 B13R1.3572 C=CCCCCOC(C)C1CCC1 34a_100000766398_100011215482 [0,1,0,1,0,0|2,0,0]=4 18403 B13R1.3572 C=CCCCCOC(C)C1CCC1 7a_100000766398_100011215482 [0,1,0,1,0,0|2,0,0]=4 18404 B13R1.3574 C=CCCCCCC(=O)CC1CC1 1458a_100000738066_100000700193 [0,1,0,1,0,0|1,0,1]=4 18405 B13R1.3574 C=CCCCCCC(=O)CC1CC1 1458a_100011934241_100000742324 [0,1,0,1,0,0|1,0,1]=4 18406 B13R1.3574 C=CCCCCCC(=O)CC1CO1 1458a_100011934241_100011216344 [0,1,0,1,0,0|0,0,1]=3 18407 B13R1.3574 C=CCCCCCC(=O)CC1CS1 1458a_100011934241_100000031435 [0,1,0,1,0,0|0,1,1]=4 18408 B13R1.3574 C=CCCCCCC(=O)C[C@@H]1CO1 1458a_100011934241_100000745022 [0,1,0,1,0,0|0,0,1]=3 18409 B13R1.3574 C=CCCCCCN(C)CC1CC1 2230a_100000741881_100000700193 [0,1,0,1,0,0|2,0,0]=4 18410 B13R1.3574 C=CCCCCCN(C)CC1CC1 269982a_100000741881_100000700193 [0,1,0,1,0,0|2,0,0]=4 18411 B13R1.3574 C=CCCCCNC(C)CC1CC1 270004a_100000703577_200000686933 [0,1,0,1,0,0|2,0,0]=4 18412 B13R1.6366 C=CCCCCCC(=O)C1CC1C 1458a_100000211227_100000700193 [0,1,0,1,0,0|1,0,1]=4 18413 B13R1.6366 C=CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000700193 [0,1,0,1,0,0|1,0,1]=4 18414 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 18415 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 18416 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 18417 B13R1.90 C=C(C)CCN1CCCCC1CO 2230a_100000210821_100000730704 [0,1,0,1,0,0|1,0,0]=3 18418 B13R1.90 C=C(C)CCN1CCCCC1CO 269982a_100000210821_100000730704 [0,1,0,1,0,0|1,0,0]=3 18419 B13R1.90 C=C(C)CCN1CCCCC1CO 34a_100000210821_100000730704 [0,1,0,1,0,0|1,0,0]=3 18420 B13R1.90 C=C(C)CCN1CCOC[C@H]1CO 2230a_100000717676_100000730704 [0,1,0,1,0,0|2,0,0]=4 18421 B13R1.90 C=C(C)CCN1CCOC[C@H]1CO 269982a_100000717676_100000730704 [0,1,0,1,0,0|2,0,0]=4 18422 B13R1.90 C=C(C)CCN1CCOC[C@H]1CO 34a_100000717676_100000730704 [0,1,0,1,0,0|2,0,0]=4 18423 B13R1.90 C=C(C)CNC1CCOCC1CO 2230a_214813039666_100000748629 [0,1,0,1,0,0|2,0,0]=4 18424 B13R1.90 C=C(C)CNC1CCOCC1CO 34a_214813039666_100000748629 [0,1,0,1,0,0|2,0,0]=4 18425 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 18426 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 18427 B13R1.90 C=C(C)COC1CCCCC1CN 34a_100011216029_100000748629 [0,1,0,1,0,0|2,0,0]=4 18428 B13R1.90 C=C(F)CNC1CCOCC1CO 2230a_214813039666_100009893438 [0,1,0,1,0,0|2,0,0]=4 18429 B13R1.90 C=C(F)CNC1CCOCC1CO 34a_214813039666_100009893438 [0,1,0,1,0,0|2,0,0]=4 18430 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,1,0,1,0,0|2,0,0]=4 18431 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,1,0,1,0,0|2,0,0]=4 18432 B13R1.90 C=C(F)COC1CCCCC1CN 34a_100011216029_100009893438 [0,1,0,1,0,0|2,0,0]=4 18433 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|1,0,1]=4 18434 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 18435 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 18436 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 18437 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|1,0,1]=4 18438 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|1,0,1]=4 18439 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 18440 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 18441 B13R1.158 C=C(Br)CCOC1CCCCC1F 34a_100009813270_100015423560 [0,1,0,1,0,0|2,0,0]=4 18442 B13R1.158 C=C(Br)CCOC1CCCCC1O 34a_100009813270_100000038908 [0,1,0,1,0,0|1,0,0]=3 18443 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 18444 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 18445 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000730704 [0,1,0,1,0,0|2,0,0]=4 18446 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000730704 [0,1,0,1,0,0|2,0,0]=4 18447 B13R1.158 C=C(C)CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000730704 [0,1,0,1,0,0|2,0,0]=4 18448 B13R1.158 C=C(C)CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000730704 [0,1,0,1,0,0|2,0,0]=4 18449 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 18450 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 18451 B13R1.158 C=C(C)CCOC1CCCCC1Cl 34a_100000038908_100000730704 [0,1,0,1,0,0|2,0,0]=4 18452 B13R1.158 C=C(C)CCOC1CCCCC1Cl 7a_100000038908_100000730704 [0,1,0,1,0,0|2,0,0]=4 18453 B13R1.158 C=C(C)CCOC1CCCCC1F 34a_100000764851_100015423560 [0,1,0,1,0,0|2,0,0]=4 18454 B13R1.158 C=C(C)CCOC1CCCCC1O 34a_100000764851_100000038908 [0,1,0,1,0,0|1,0,0]=3 18455 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000730704 [0,1,0,1,0,0|2,0,0]=4 18456 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000730704 [0,1,0,1,0,0|2,0,0]=4 18457 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000730704 [0,1,0,1,0,0|2,0,0]=4 18458 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100000730704_100015423560 [0,1,0,1,0,0|2,0,0]=4 18459 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100015423560_100000730704 [0,1,0,1,0,0|2,0,0]=4 18460 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000038908_100000730704 [0,1,0,1,0,0|1,0,0]=3 18461 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000730704_100000038908 [0,1,0,1,0,0|1,0,0]=3 18462 B13R1.158 C=C(C)CNCC1CCCCC1O 34a_100011216029_100000748629 [0,1,0,1,0,0|1,0,0]=3 18463 B13R1.158 C=C(F)CNCC1CCCCC1O 34a_100011216029_100009893438 [0,1,0,1,0,0|1,0,0]=3 18464 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|1,0,1]=4 18465 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|1,0,1]=4 18466 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|1,0,1]=4 18467 B13R1.158 CC(O)CCOC1CCCCC1=O 34a_100011214950_100012276601 [0,1,0,1,0,0|2,0,0]=4 18468 B13R1.158 CC(O)CCSC1CCCCC1=O 62a_100000204591_100012276601 [0,1,0,1,0,0|2,0,0]=4 18469 B13R1.158 CC(O)CCSC1CCCCC1=O 62a_100012276601_100000204591 [0,1,0,1,0,0|2,0,0]=4 18470 B13R1.158 CC(O)COCC1CCCCC1=O 34a_100009861125_100011218427 [0,1,0,1,0,0|2,0,0]=4 18471 B13R1.158 CC(O)COCC1CCCCC1=O 7a_100009861125_100011218427 [0,1,0,1,0,0|2,0,0]=4 18472 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 34a_100009861125_100009817552 [0,1,0,1,0,0|2,0,0]=4 18473 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 7a_100009861125_100009817552 [0,1,0,1,0,0|2,0,0]=4 18474 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,1,0,1,0,0|2,0,0]=4 18475 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 18476 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,1,0,1,0,0|2,0,0]=4 18477 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 18478 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 18479 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|1,0,1]=4 18480 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|1,0,1]=4 18481 B13R1.167 CC(O)CCCOC1CCCC1=O 34a_200000719330_200000718107 [0,1,0,1,0,0|2,0,0]=4 18482 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_100000211823_200000718107 [0,1,0,1,0,0|2,0,0]=4 18483 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_200000718107_100000211823 [0,1,0,1,0,0|2,0,0]=4 18484 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100102525003_200016002552 [0,1,0,1,0,0|2,0,0]=4 18485 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 18486 B13R1.193 C=CCCCCN1CCCC1(C)C 2230a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 18487 B13R1.193 C=CCCCCN1CCCC1(C)C 269982a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 18488 B13R1.193 C=CCCCCN1CCCC1(C)C 34a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 18489 B13R1.193 C=CCCCNC1CCCC1(C)C 269862a_100000700776_100000065263 [0,1,0,1,0,0|2,0,0]=4 18490 B13R1.193 C=CCCCNC1CCCC1(F)F 2230a_100000767123_100011713584 [0,1,0,1,0,0|2,0,0]=4 18491 B13R1.193 C=CCCCNC1CCCC1(F)F 34a_100000700776_100119073726 [0,1,0,1,0,0|2,0,0]=4 18492 B13R1.193 C=CCCCNC1CCCC1(F)F 34a_100000767123_100000757094 [0,1,0,1,0,0|2,0,0]=4 18493 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011713584 [0,1,0,1,0,0|1,0,0]=3 18494 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000757094 [0,1,0,1,0,0|1,0,0]=3 18495 B13R1.193 C=CCCCOC1CCCC1(C)C 34a_100000726220_100000757094 [0,1,0,1,0,0|2,0,0]=4 18496 B13R1.193 C=CCCCOC1CCCC1(C)C 7a_100000726220_100000757094 [0,1,0,1,0,0|2,0,0]=4 18497 B13R1.193 C=CCCCOC1CCCC1(F)F 34a_100000758997_100119073726 [0,1,0,1,0,0|2,0,0]=4 18498 B13R1.193 C=CCCCSC1CCCC1(F)F 62a_100011713584_100119073726 [0,1,0,1,0,0|2,0,0]=4 18499 B13R1.193 C=CCCCSC1CCCC1(F)F 62a_100119073726_100000757094 [0,1,0,1,0,0|2,0,0]=4 18500 B13R1.193 C=COCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000039644 [0,1,0,1,0,0|2,0,0]=4 18501 B13R1.193 C=COCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000039644 [0,1,0,1,0,0|2,0,0]=4 18502 B13R1.193 C[C@]1(CCC[C@H]1NCCCC=O)O 2230a_100015977457_200011292268 [0,1,0,1,0,0|2,0,0]=4 18503 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,1,0,1,0,0|1,0,1]=4 18504 B13R1.224 C=CCN1CCCCCC1C(C)C 2230a_100000697956_100000210623 [0,1,0,1,0,0|2,0,0]=4 18505 B13R1.224 C=CCN1CCCCCC1C(C)C 269982a_100000697956_100000210623 [0,1,0,1,0,0|2,0,0]=4 18506 B13R1.224 C=CCN1CCCCCC1C(C)C 34a_100000697956_100015514636 [0,1,0,1,0,0|2,0,0]=4 18507 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,1,0,1,0,0|2,0,0]=4 18508 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100000243696_100011218427 [0,1,0,1,0,0|2,0,0]=4 18509 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100011218427_100000243696 [0,1,0,1,0,0|2,0,0]=4 18510 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100000243696_100009817552 [0,1,0,1,0,0|2,0,0]=4 18511 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100009817552_100000243696 [0,1,0,1,0,0|2,0,0]=4 18512 B13R1.297 CC(O)CCNCCC1CCC1=O 2230a_200000755665_200016118888 [0,1,0,1,0,0|2,0,0]=4 18513 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_100012276601_200016118888 [0,1,0,1,0,0|2,0,0]=4 18514 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_200016118888_100012276601 [0,1,0,1,0,0|2,0,0]=4 18515 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,1,0,1,0,0|2,0,0]=4 18516 B13R1.337 C=C(Br)CCOCC1CCCCO1 34a_100009813270_100000211543 [0,1,0,1,0,0|1,0,0]=3 18517 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 18518 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 18519 B13R1.337 C=C(C)CCNCC1CCCCO1 2230a_100000174945_100000730704 [0,1,0,1,0,0|1,0,0]=3 18520 B13R1.337 C=C(C)CCNCC1CCCCO1 34a_100000174945_100000730704 [0,1,0,1,0,0|1,0,0]=3 18521 B13R1.337 C=C(C)CCNC[C@H]1COCCO1 2230a_100010981119_100000730704 [0,1,0,1,0,0|2,0,0]=4 18522 B13R1.337 C=C(C)CCNC[C@H]1COCCO1 34a_100010981119_100000730704 [0,1,0,1,0,0|2,0,0]=4 18523 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 18524 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,1,0,1,0,0|2,0,0]=4 18525 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 18526 B13R1.337 C=C(C)CCOCC1CCCCN1 34a_100000210821_100000730704 [0,1,0,1,0,0|2,0,0]=4 18527 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000211370_100000730704 [0,1,0,1,0,0|1,0,0]=3 18528 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000764851_100000211543 [0,1,0,1,0,0|1,0,0]=3 18529 B13R1.337 C=C(C)CCOCC1CCCCO1 7a_100000211370_100000730704 [0,1,0,1,0,0|1,0,0]=3 18530 B13R1.337 C=C(C)CCOC[C@@H]1CNCCO1 34a_100015189573_100000730704 [0,1,0,1,0,0|2,0,0]=4 18531 B13R1.337 C=C(C)CCOC[C@H]1COCCO1 34a_100009875890_100000730704 [0,1,0,1,0,0|2,0,0]=4 18532 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,1,0,1,0,0|2,0,0]=4 18533 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,1,0,1,0,0|2,0,0]=4 18534 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000211543_100000730704 [0,1,0,1,0,0|1,0,0]=3 18535 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000730704_100000211543 [0,1,0,1,0,0|1,0,0]=3 18536 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 18537 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 18538 B13R1.337 C=C(C)CNCCC1CCCCO1 2230a_100015183643_100000748629 [0,1,0,1,0,0|1,0,0]=3 18539 B13R1.337 C=C(C)CNCCC1CCCCO1 34a_100015183643_100000748629 [0,1,0,1,0,0|1,0,0]=3 18540 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,1,0,1,0,0|2,0,0]=4 18541 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 18542 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 18543 B13R1.337 C=C(C)COCCC1CCCCN1 34a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 18544 B13R1.337 C=C(C)COCCC1OCCCO1 34a_100000210245_100000764188 [0,1,0,1,0,0|2,0,0]=4 18545 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,1,0,1,0,0|2,0,0]=4 18546 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,1,0,1,0,0|2,0,0]=4 18547 B13R1.337 C=C(C)CSCCC1OCCCO1 62a_100000748629_100000764188 [0,1,0,1,0,0|2,0,0]=4 18548 B13R1.337 C=C(C)CSCCC1OCCCO1 62a_100000764188_100000211660 [0,1,0,1,0,0|2,0,0]=4 18549 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 18550 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 18551 B13R1.337 C=C(F)CNCCC1CCCCO1 2230a_100015183643_100009893438 [0,1,0,1,0,0|1,0,0]=3 18552 B13R1.337 C=C(F)CNCCC1CCCCO1 34a_100015183643_100009893438 [0,1,0,1,0,0|1,0,0]=3 18553 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,1,0,1,0,0|2,0,0]=4 18554 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,1,0,1,0,0|2,0,0]=4 18555 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,1,0,1,0,0|2,0,0]=4 18556 B13R1.337 C=C(F)COCCC1CCCCN1 34a_100000211664_100009893438 [0,1,0,1,0,0|2,0,0]=4 18557 B13R1.337 C=C(F)COCCC1OCCCO1 34a_200010262243_100000764188 [0,1,0,1,0,0|2,0,0]=4 18558 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,1,0,1,0,0|2,0,0]=4 18559 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,1,0,1,0,0|2,0,0]=4 18560 B13R1.337 C=C(F)CSCCC1OCCCO1 62a_100000042424_100000764188 [0,1,0,1,0,0|2,0,0]=4 18561 B13R1.337 C=C(F)CSCCC1OCCCO1 62a_100000764188_100000042424 [0,1,0,1,0,0|2,0,0]=4 18562 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|1,0,1]=4 18563 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|1,0,1]=4 18564 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|1,0,1]=4 18565 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|1,0,1]=4 18566 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|1,0,1]=4 18567 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|1,0,1]=4 18568 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|1,0,1]=4 18569 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|1,0,1]=4 18570 B13R1.337 CC(C)CCCNC1C=CCCC1 2230a_200000737386_100000751183 [0,1,0,1,0,0|2,0,0]=4 18571 B13R1.337 CC(C)CCCOC1C=CCCC1 34a_100011215024_100011214892 [0,1,0,1,0,0|2,0,0]=4 18572 B13R1.337 CC(C)CCCOC1C=CCCC1 7a_100000210774_100000751183 [0,1,0,1,0,0|2,0,0]=4 18573 B13R1.337 CC(C)CCCSC1C=CCCC1 62a_100000751183_100011214892 [0,1,0,1,0,0|2,0,0]=4 18574 B13R1.337 CC(C)CCCSC1C=CCCC1 62a_100011214892_100000751183 [0,1,0,1,0,0|2,0,0]=4 18575 B13R1.337 CC(O)CCCOC1C=CCCC1 34a_100011215024_200000718107 [0,1,0,1,0,0|1,0,0]=3 18576 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_100000751183_200000718107 [0,1,0,1,0,0|1,0,0]=3 18577 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_200000718107_100000751183 [0,1,0,1,0,0|1,0,0]=3 18578 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,1,0,1,0,0|2,0,0]=4 18579 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,1,0,1,0,0|2,0,0]=4 18580 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,1,0,1,0,0|2,0,0]=4 18581 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,1,0,1,0,0|2,0,0]=4 18582 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 18583 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,1,0,1,0,0|2,0,0]=4 18584 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 18585 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,1,0,1,0,0|2,0,0]=4 18586 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,1,0,1,0,0|2,0,0]=4 18587 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,1,0,1,0,0|2,0,0]=4 18588 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,1,0,1,0,0|2,0,0]=4 18589 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,1,0,1,0,0|2,0,0]=4 18590 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|1,0,1]=4 18591 B13R1.343 C=C(Br)CCOCCC1CCCC1 34a_100009813270_100000760354 [0,1,0,1,0,0|2,0,0]=4 18592 B13R1.343 C=C(Br)CCOCCC1OCCO1 34a_100009813270_100000740749 [0,1,0,1,0,0|2,0,0]=4 18593 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 18594 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 18595 B13R1.343 C=C(C)CCNCCC1OCCO1 2230a_100000034215_100000730704 [0,1,0,1,0,0|2,0,0]=4 18596 B13R1.343 C=C(C)CCNCCC1OCCO1 34a_100000034215_100000730704 [0,1,0,1,0,0|2,0,0]=4 18597 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 18598 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,1,0,1,0,0|2,0,0]=4 18599 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 18600 B13R1.343 C=C(C)CCOCCC1OCCO1 34a_100000764851_100000740749 [0,1,0,1,0,0|2,0,0]=4 18601 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,1,0,1,0,0|2,0,0]=4 18602 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,1,0,1,0,0|2,0,0]=4 18603 B13R1.343 C=C(C)CCSCCC1OCCO1 62a_100000730704_100000740749 [0,1,0,1,0,0|2,0,0]=4 18604 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 18605 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 18606 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,1,0,1,0,0|2,0,0]=4 18607 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 18608 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 18609 B13R1.343 C=C(C)COCCCC1OCCO1 34a_100000210245_100009861162 [0,1,0,1,0,0|2,0,0]=4 18610 B13R1.343 C=C(C)COCCCC1OCCO1 34a_100009871617_100000748629 [0,1,0,1,0,0|2,0,0]=4 18611 B13R1.343 C=C(C)COCCCC1OCCO1 7a_100009871617_100000748629 [0,1,0,1,0,0|2,0,0]=4 18612 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,1,0,1,0,0|2,0,0]=4 18613 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,1,0,1,0,0|2,0,0]=4 18614 B13R1.343 C=C(C)CSCCCC1OCCO1 62a_100000748629_100000042513 [0,1,0,1,0,0|2,0,0]=4 18615 B13R1.343 C=C(F)CNCCCC1CCCC1 2230a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 18616 B13R1.343 C=C(F)CNCCCC1CCCC1 34a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 18617 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,1,0,1,0,0|2,0,0]=4 18618 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,1,0,1,0,0|2,0,0]=4 18619 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,1,0,1,0,0|2,0,0]=4 18620 B13R1.343 C=C(F)COCCCC1OCCO1 34a_100009871617_100009893438 [0,1,0,1,0,0|2,0,0]=4 18621 B13R1.343 C=C(F)COCCCC1OCCO1 34a_200010262243_100009861162 [0,1,0,1,0,0|2,0,0]=4 18622 B13R1.343 C=C(F)COCCCC1OCCO1 7a_100009871617_100000042424 [0,1,0,1,0,0|2,0,0]=4 18623 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100000042424_100011713738 [0,1,0,1,0,0|2,0,0]=4 18624 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100011713738_100000042424 [0,1,0,1,0,0|2,0,0]=4 18625 B13R1.343 C=C(F)CSCCCC1OCCO1 62a_100000042424_100000042513 [0,1,0,1,0,0|2,0,0]=4 18626 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|1,0,1]=4 18627 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|1,0,1]=4 18628 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|1,0,1]=4 18629 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|1,0,1]=4 18630 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|1,0,1]=4 18631 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|1,0,1]=4 18632 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|1,0,1]=4 18633 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100102525003 [0,1,0,1,0,0|2,0,0]=4 18634 B13R1.343 NC(=O)CCCOCC1CCCO1 34a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 18635 B13R1.343 NC(=O)CCCOCC1CCCO1 7a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 18636 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100000203698_100102525003 [0,1,0,1,0,0|2,0,0]=4 18637 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100102525003_100000203698 [0,1,0,1,0,0|2,0,0]=4 18638 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 18639 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 18640 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 18641 B13R1.380 C=C(C)CN1CCCCC1CCO 2230a_100000211664_100000748629 [0,1,0,1,0,0|1,0,0]=3 18642 B13R1.380 C=C(C)CN1CCCCC1CCO 269982a_100000211664_100000748629 [0,1,0,1,0,0|1,0,0]=3 18643 B13R1.380 C=C(C)CN1CCCCC1CCO 34a_100000211664_100000748629 [0,1,0,1,0,0|1,0,0]=3 18644 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 18645 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 18646 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 18647 B13R1.380 C=C(F)CN1CCCCC1CCO 2230a_100000211664_100009893438 [0,1,0,1,0,0|1,0,0]=3 18648 B13R1.380 C=C(F)CN1CCCCC1CCO 269982a_100000211664_100009893438 [0,1,0,1,0,0|1,0,0]=3 18649 B13R1.380 C=C(F)CN1CCCCC1CCO 34a_100000211664_100009893438 [0,1,0,1,0,0|1,0,0]=3 18650 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 18651 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 18652 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 18653 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,1,0,1,0,0|2,0,0]=4 18654 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 18655 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 18656 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 18657 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 18658 B13R1.572 C=CCCN1CCCCC1C(C)C 2230a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 18659 B13R1.572 C=CCCN1CCCCC1C(C)C 269982a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 18660 B13R1.572 C=CCCN1CCCCC1C(C)C 34a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 18661 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,1,0,1,0,0|1,0,1]=4 18662 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,1,0,1,0,0|1,0,1]=4 18663 B13R1.572 C=CCOC1CCCCC1C(C)C 34a_100011709184_100015514636 [0,1,0,1,0,0|2,0,0]=4 18664 B13R1.572 C=CCOC1CCCCC1C(C)C 7a_100011709184_100015514636 [0,1,0,1,0,0|2,0,0]=4 18665 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|1,0,1]=4 18666 B13R1.572 NC(=O)C1CCCCN1CCCO 2230a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 18667 B13R1.572 NC(=O)C1CCCCN1CCCO 269982a_100000181395_100011215043 [0,1,0,1,0,0|2,0,0]=4 18668 B13R1.572 NC(=O)C1CCCCN1CCCO 34a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 18669 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,1,0,1,0,0|2,0,0]=4 18670 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,1,0,1,0,0|2,0,0]=4 18671 B13R1.578 C=CCCN1CCCC1CC(C)C 2230a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 18672 B13R1.578 C=CCCN1CCCC1CC(C)C 269982a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 18673 B13R1.578 C=CCCN1CCCC1CC(C)C 34a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 18674 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|1,0,1]=4 18675 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|1,0,1]=4 18676 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|1,0,1]=4 18677 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|1,0,1]=4 18678 B13R1.586 NC(=O)CCCCNCC1CCO1 34a_100000696515_100000103362 [0,1,0,1,0,0|2,0,0]=4 18679 B13R1.586 NC(=O)CCCCOCC1CCO1 34a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 18680 B13R1.586 NC(=O)CCCCOCC1CCO1 7a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 18681 B13R1.668 C=CCCNC1CCCCC1(C)C 269862a_100015191253_100000031690 [0,1,0,1,0,0|2,0,0]=4 18682 B13R1.668 C=CCCNC1CCCCC1(F)F 2230a_100000686509_100000754431 [0,1,0,1,0,0|2,0,0]=4 18683 B13R1.668 C=CCCNC1CCCCC1(F)F 34a_100000686509_100000754431 [0,1,0,1,0,0|2,0,0]=4 18684 B13R1.668 C=CCCOC1CCCCC1(F)F 34a_100011205117_200009832135 [0,1,0,1,0,0|2,0,0]=4 18685 B13R1.668 C=CCCSC1CCCCC1(F)F 62a_100000754431_200009832135 [0,1,0,1,0,0|2,0,0]=4 18686 B13R1.668 C=CCCSC1CCCCC1(F)F 62a_200009832135_100000754431 [0,1,0,1,0,0|2,0,0]=4 18687 B13R1.670 C=CCCCN1CCCC1C(C)C 2230a_100000762757_100011713584 [0,1,0,1,0,0|2,0,0]=4 18688 B13R1.670 C=CCCCN1CCCC1C(C)C 269982a_100000762757_100000757094 [0,1,0,1,0,0|2,0,0]=4 18689 B13R1.670 C=CCCCN1CCCC1C(C)C 34a_100000762757_100000757094 [0,1,0,1,0,0|2,0,0]=4 18690 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,1,0,1,0,0|1,0,1]=4 18691 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO 2230a_100000003125_100000210776 [0,1,0,1,0,0|2,0,0]=4 18692 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,1,0,1,0,0|2,0,0]=4 18693 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 18694 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 18695 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 18696 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 18697 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 18698 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 18699 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 18700 B13R1.1022 C=C(F)CNC1CCCCCCC1 2230a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 18701 B13R1.1022 C=C(F)CNC1CCCCCCC1 34a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 18702 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|2,0,0]=4 18703 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|2,0,0]=4 18704 B13R1.1022 CC(C)COC1C=CCCCCC1 34a_100000688657_100000210624 [0,1,0,1,0,0|2,0,0]=4 18705 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,1,0,1,0,0|1,0,0]=3 18706 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,1,0,1,0,0|1,0,0]=3 18707 B13R1.1022 FC(F)COC1C=CCCCCC1 34a_100000688657_100011934356 [0,1,0,1,0,0|2,0,0]=4 18708 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|1,0,1]=4 18709 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|1,0,1]=4 18710 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|1,0,1]=4 18711 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|1,0,1]=4 18712 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|1,0,1]=4 18713 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|1,0,1]=4 18714 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|1,0,1]=4 18715 B13R1.1052 NC(=O)CCCCCOCC1CO1 34a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 18716 B13R1.1052 NC(=O)CCCCCOCC1CO1 7a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 18717 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009817443 [0,1,0,1,0,0|2,0,0]=4 18718 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 7a_100000123541_100000745022 [0,1,0,1,0,0|2,0,0]=4 18719 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_100009817443_102125554688 [0,1,0,1,0,0|2,0,0]=4 18720 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_102125554688_100009817443 [0,1,0,1,0,0|2,0,0]=4 18721 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009817443 [0,1,0,1,0,0|2,0,0]=4 18722 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100009817443_100000745022 [0,1,0,1,0,0|2,0,0]=4 18723 B13R1.1052 NC(=O)CCCCNCCC1CO1 34a_100000696515_100000732470 [0,1,0,1,0,0|2,0,0]=4 18724 B13R1.1052 NC(=O)CCCCOCCC1CO1 34a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 18725 B13R1.1052 NC(=O)CCCCOCCC1CO1 7a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 18726 B13R1.1052 NC(=O)CCCNCCCC1CO1 34a_100000739312_100000733510 [0,1,0,1,0,0|2,0,0]=4 18727 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100000733510_100102525003 [0,1,0,1,0,0|2,0,0]=4 18728 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100102525003_100000733510 [0,1,0,1,0,0|2,0,0]=4 18729 B13R1.1052 O=C([O-])CCCCCOCC1CO1 7a_100102619762_102125554688 [0,1,0,1,0,0|2,0,0]=4 18730 B13R1.1052 O=C([O-])CCCCCOC[C@@H]1CO1 7a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 18731 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18732 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18733 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18734 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 18735 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 18736 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 18737 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,1,0,1,0,0|2,0,0]=4 18738 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 18739 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 18740 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 18741 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,1,0,1,0,0|2,0,0]=4 18742 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 18743 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,1,0,1,0,0|2,0,0]=4 18744 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,1,0,1,0,0|2,0,0]=4 18745 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 18746 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 18747 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,1,0,1,0,0|2,0,0]=4 18748 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 18749 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 18750 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,1,0,1,0,0|2,0,0]=4 18751 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,1,0,1,0,0|2,0,0]=4 18752 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 18753 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 18754 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,1,0,1,0,0|2,0,0]=4 18755 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,1,0,1,0,0|2,0,0]=4 18756 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,1,0,1,0,0|2,0,0]=4 18757 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,1,0,1,0,0|2,0,0]=4 18758 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,1,0,1,0,0|2,0,0]=4 18759 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,1,0,1,0,0|1,0,1]=4 18760 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|2,0,0]=4 18761 B13R1.3672 C=CCCCCCNC1CC1(F)F 2230a_100020610826_100000700193 [0,1,0,1,0,0|2,0,0]=4 18762 B13R1.3672 C=CCCCCCNC1CC1(F)F 34a_100020610826_100000700193 [0,1,0,1,0,0|2,0,0]=4 18763 B13R1.3672 C=CCCCCNCC1CC1(F)F 2230a_100000703577_100009817841 [0,1,0,1,0,0|2,0,0]=4 18764 B13R1.3672 C=CCCCCNCC1CC1(F)F 34a_100000703577_100009817841 [0,1,0,1,0,0|2,0,0]=4 18765 B13R1.3672 C=CCCCCOCC1CC1(C)C 34a_100000728257_100011215482 [0,1,0,1,0,0|2,0,0]=4 18766 B13R1.3672 C=CCCCCOCC1CC1(C)C 7a_100000728257_100011215482 [0,1,0,1,0,0|2,0,0]=4 18767 B13R1.3672 C=CCCCCOCC1CC1(F)F 34a_100000056500_100011215482 [0,1,0,1,0,0|2,0,0]=4 18768 B13R1.3672 C=CCCCCOCC1CC1(F)F 34a_100000766645_100009817841 [0,1,0,1,0,0|2,0,0]=4 18769 B13R1.3672 C=CCCCCOCC1CC1(F)F 7a_100000056500_100011215482 [0,1,0,1,0,0|2,0,0]=4 18770 B13R1.3672 C=CCCCCOCC1CC1(F)F 7a_100000766645_100009817841 [0,1,0,1,0,0|2,0,0]=4 18771 B13R1.3672 C=CCCCCSCC1CC1(F)F 62a_100009817841_100011215482 [0,1,0,1,0,0|2,0,0]=4 18772 B13R1.3672 C=CCCCCSCC1CC1(F)F 62a_100011215482_100009817841 [0,1,0,1,0,0|2,0,0]=4 18773 B13R1.3672 C=CCCCOCCC1CC1(F)F 34a_100009864177_100000757094 [0,1,0,1,0,0|2,0,0]=4 18774 B13R1.3672 C=CCCCOCCC1CC1(F)F 7a_100009864177_100000757094 [0,1,0,1,0,0|2,0,0]=4 18775 B13R1.9 C=CCCCCN1CCC(CC1)C 2230a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 18776 B13R1.9 C=CCCCCN1CCC(CC1)C 269982a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 18777 B13R1.9 C=CCCCCN1CCC(CC1)C 34a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 18778 B13R1.9 C=CCCCCN1CCC(CC1)F 2230a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 18779 B13R1.9 C=CCCCCN1CCC(CC1)F 269982a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 18780 B13R1.9 C=CCCCCN1CCC(CC1)F 34a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 18781 B13R1.9 C=CCCCCN1CCC(CC1)O 2230a_100025773856_100011215482 [0,1,0,1,0,0|2,0,0]=4 18782 B13R1.9 C=CCCCCN1CCC(CC1)O 269982a_100025773856_100011215482 [0,1,0,1,0,0|2,0,0]=4 18783 B13R1.9 C=CCCCNC1CCC(CC1)C 270004a_100000700776_100000185489 [0,1,0,1,0,0|2,0,0]=4 18784 B13R1.9 C=CCCCNC1CCC(CC1)C 34a_100000700776_200011216234 [0,1,0,1,0,0|2,0,0]=4 18785 B13R1.9 C=CCCCNC1CCC(CC1)O 270004a_100000700776_100000764474 [0,1,0,1,0,0|2,0,0]=4 18786 B13R1.9 C=CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011713584 [0,1,0,1,0,0|2,0,0]=4 18787 B13R1.9 C=CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000757094 [0,1,0,1,0,0|2,0,0]=4 18788 B13R1.9 C=CCCCOC1CCC(CC1)C 34a_100000210714_100000757094 [0,1,0,1,0,0|2,0,0]=4 18789 B13R1.9 C=CCCCOC1CCC(CC1)C 34a_100000758997_200011216234 [0,1,0,1,0,0|2,0,0]=4 18790 B13R1.9 C=CCCCOC1CCC(CC1)C 7a_100000210714_100000757094 [0,1,0,1,0,0|2,0,0]=4 18791 B13R1.9 C=CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000757094 [0,1,0,1,0,0|2,0,0]=4 18792 B13R1.9 C=CCCCSC1CCC(CC1)C 62a_100011713584_200011216234 [0,1,0,1,0,0|2,0,0]=4 18793 B13R1.9 C=CCCNCC1CCC(CC1)C 2230a_103436935547_100000754431 [0,1,0,1,0,0|2,0,0]=4 18794 B13R1.9 C=CCCNCC1CCC(CC1)C 34a_103436935547_100000754431 [0,1,0,1,0,0|2,0,0]=4 18795 B13R1.9 C=CCCOCC1CCC(CC1)C 34a_100000701341_100000754431 [0,1,0,1,0,0|2,0,0]=4 18796 B13R1.9 C=CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000754431 [0,1,0,1,0,0|2,0,0]=4 18797 B13R1.9 C=CCNCCC1CCC(CC1)O 34a_200011935226_100015514636 [0,1,0,1,0,0|2,0,0]=4 18798 B13R1.9 C=CCOCCC1CCC(CC1)N 34a_100000070672_100015514636 [0,1,0,1,0,0|2,0,0]=4 18799 B13R1.16 C=CCCNC1CCCC(C1C)C 2230a_100000211273_100000754431 [0,1,0,1,0,0|2,0,0]=4 18800 B13R1.16 C=CCCNC1CCCC(C1C)C 34a_100000211273_100000754431 [0,1,0,1,0,0|2,0,0]=4 18801 B13R1.16 C=CCCOC1CCCC(C1C)C 34a_100011217532_100000754431 [0,1,0,1,0,0|2,0,0]=4 18802 B13R1.16 C=CCCOC1CCCC(C1C)C 7a_100011217532_100000754431 [0,1,0,1,0,0|2,0,0]=4 18803 B13R1.91 C=CC(O)CN1CCCCC1CC 2230a_100000210034_100000730141 [0,1,0,1,0,0|2,0,0]=4 18804 B13R1.91 C=CC(O)CN1CCCCC1CC 34a_100000210034_100000730141 [0,1,0,1,0,0|2,0,0]=4 18805 B13R1.91 C=CC(O)CN1CCCCC1CO 2230a_100000210821_100000730141 [0,1,0,1,0,0|1,0,0]=3 18806 B13R1.91 C=CC(O)CN1CCCCC1CO 34a_100000210821_100000730141 [0,1,0,1,0,0|1,0,0]=3 18807 B13R1.91 C=CC(O)CN1CCOC[C@H]1CO 2230a_100000717676_100000730141 [0,1,0,1,0,0|2,0,0]=4 18808 B13R1.91 C=CC(O)CN1CCOC[C@H]1CO 34a_100000717676_100000730141 [0,1,0,1,0,0|2,0,0]=4 18809 B13R1.382 C=CC(=O)N1CCCCC1CCO 240690a_100000211664_200121576911 [0,1,0,1,0,0|1,0,1]=4 18810 B13R1.382 C=CC(C)N1CCCCC1CCC 269982a_100000701414_100011215867 [0,1,0,1,0,0|2,0,0]=4 18811 B13R1.382 C=CC(C)N1CCCCC1CCO 269982a_100000211664_100011215867 [0,1,0,1,0,0|1,0,0]=3 18812 B13R1.527 CC(CO)SC1CCCCCC1=O 62a_100012180447_100000243696 [0,1,0,1,0,0|2,0,0]=4 18813 B13R1.527 C[C@H](CO)SC1CCCCCC1=O 62a_100000243696_100016084084 [0,1,0,1,0,0|2,0,0]=4 18814 B13R1.527 C[C@H](CO)SC1CCCCCC1=O 62a_100016084084_100000243696 [0,1,0,1,0,0|2,0,0]=4 18815 B13R1.528 C=CC(=O)NCC1CCCCC1O 240690a_100011216029_200121576911 [0,1,0,1,0,0|1,0,1]=4 18816 B13R1.528 C=CC(C)COC1CCCCC1F 34a_100011215527_100015423560 [0,1,0,1,0,0|2,0,0]=4 18817 B13R1.528 C=CC(C)COC1CCCCC1O 34a_100011215527_100000038908 [0,1,0,1,0,0|1,0,0]=3 18818 B13R1.528 C=CC(O)CNC1CCCCC1C 2230a_100000211402_100000730141 [0,1,0,1,0,0|2,0,0]=4 18819 B13R1.528 C=CC(O)CNC1CCCCC1C 34a_100000211402_100000730141 [0,1,0,1,0,0|2,0,0]=4 18820 B13R1.528 C=CC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000730141 [0,1,0,1,0,0|2,0,0]=4 18821 B13R1.528 C=CC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000730141 [0,1,0,1,0,0|2,0,0]=4 18822 B13R1.528 C=CC(O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000730141 [0,1,0,1,0,0|2,0,0]=4 18823 B13R1.528 C=CC(O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000730141 [0,1,0,1,0,0|2,0,0]=4 18824 B13R1.528 C=CC(O)COC1CCCCC1C 34a_100000211207_100000730141 [0,1,0,1,0,0|2,0,0]=4 18825 B13R1.528 C=CC(O)COC1CCCCC1C 7a_100000211207_100000730141 [0,1,0,1,0,0|2,0,0]=4 18826 B13R1.528 C=CC(O)COC1CCCCC1Cl 34a_100000038908_100000730141 [0,1,0,1,0,0|2,0,0]=4 18827 B13R1.528 C=CC(O)COC1CCCCC1Cl 7a_100000038908_100000730141 [0,1,0,1,0,0|2,0,0]=4 18828 B13R1.528 C=CC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000730141 [0,1,0,1,0,0|2,0,0]=4 18829 B13R1.528 C=CC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000730141 [0,1,0,1,0,0|2,0,0]=4 18830 B13R1.528 C=CC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000730141 [0,1,0,1,0,0|2,0,0]=4 18831 B13R1.528 C=CC(O)CSC1CCCCC1F 62a_100000730141_100015423560 [0,1,0,1,0,0|2,0,0]=4 18832 B13R1.528 C=CC(O)CSC1CCCCC1F 62a_100015423560_100000730141 [0,1,0,1,0,0|2,0,0]=4 18833 B13R1.528 C=CC(O)CSC1CCCCC1O 62a_100000038908_100000730141 [0,1,0,1,0,0|1,0,0]=3 18834 B13R1.528 C=CC(O)CSC1CCCCC1O 62a_100000730141_100000038908 [0,1,0,1,0,0|1,0,0]=3 18835 B13R1.528 C=C[C@H](N)COC1CCCCC1F 34a_100016989147_100015423560 [0,1,0,1,0,0|2,0,0]=4 18836 B13R1.528 C=C[C@H](N)COC1CCCCC1O 34a_100016989147_100000038908 [0,1,0,1,0,0|1,0,0]=3 18837 B13R1.528 CC(CO)CNC1CCCCC1=O 34a_100000744482_100000754470 [0,1,0,1,0,0|2,0,0]=4 18838 B13R1.528 CC(CO)OCC1CCCCC1=O 34a_100009861125_100012180447 [0,1,0,1,0,0|2,0,0]=4 18839 B13R1.528 CC(CO)OCC1CCCCC1=O 7a_100009861125_100012180447 [0,1,0,1,0,0|2,0,0]=4 18840 B13R1.528 C[C@@H](CO)COC1CCCCC1=O 34a_100011214950_100000059175 [0,1,0,1,0,0|2,0,0]=4 18841 B13R1.528 C[C@@H](CO)CSC1CCCCC1=O 62a_100000059175_100000204591 [0,1,0,1,0,0|2,0,0]=4 18842 B13R1.528 C[C@@H](CO)CSC1CCCCC1=O 62a_100000204591_100000059175 [0,1,0,1,0,0|2,0,0]=4 18843 B13R1.528 O=C1CCCCC1NC[C@@H](F)CO 34a_100015665980_100000754470 [0,1,0,1,0,0|2,0,0]=4 18844 B13R1.528 O=C1CCCCC1OCC(O)CO 34a_100011214950_100011219619 [0,1,0,1,0,0|2,0,0]=4 18845 B13R1.528 O=C1CCCCC1OC[C@@H](O)CO 34a_100011214950_100009815848 [0,1,0,1,0,0|2,0,0]=4 18846 B13R1.528 O=C1CCCCC1SCC(O)CO 62a_100000204591_100011219619 [0,1,0,1,0,0|2,0,0]=4 18847 B13R1.528 O=C1CCCCC1SCC(O)CO 62a_100011219619_100000204591 [0,1,0,1,0,0|2,0,0]=4 18848 B13R1.528 O=C1CCCCC1SC[C@@H](O)CO 62a_100000204591_100009815848 [0,1,0,1,0,0|2,0,0]=4 18849 B13R1.528 O=C1CCCCC1SC[C@@H](O)CO 62a_100009815848_100000204591 [0,1,0,1,0,0|2,0,0]=4 18850 B13R1.536 C=CC(=O)CCCCC1OCCO1 1458a_100000185746_100000034956 [0,1,0,1,0,0|1,0,1]=4 18851 B13R1.536 C=CC(C)COCCC1CCCC1 34a_100011215527_100000760354 [0,1,0,1,0,0|2,0,0]=4 18852 B13R1.536 C=CC(C)COCCC1CCCC1 7a_100011215527_100000760354 [0,1,0,1,0,0|2,0,0]=4 18853 B13R1.536 C=CC(C)COCCC1OCCO1 34a_100011215527_100000740749 [0,1,0,1,0,0|2,0,0]=4 18854 B13R1.536 C=CC(C)COCCC1OCCO1 7a_100011215527_100000740749 [0,1,0,1,0,0|2,0,0]=4 18855 B13R1.536 C=CC(C)OCCCC1CCCC1 34a_100000695699_100011713738 [0,1,0,1,0,0|2,0,0]=4 18856 B13R1.536 C=CC(C)OCCCC1OCCO1 34a_100000695699_100009861162 [0,1,0,1,0,0|2,0,0]=4 18857 B13R1.536 C=CC(C)SCCCC1CCCC1 62a_100011215867_100011713738 [0,1,0,1,0,0|2,0,0]=4 18858 B13R1.536 C=CC(C)SCCCC1OCCO1 62a_100011215867_100000042513 [0,1,0,1,0,0|2,0,0]=4 18859 B13R1.536 C=CC(O)CNCCC1CCCC1 2230a_100000739158_100000730141 [0,1,0,1,0,0|2,0,0]=4 18860 B13R1.536 C=CC(O)CNCCC1CCCC1 34a_100000739158_100000730141 [0,1,0,1,0,0|2,0,0]=4 18861 B13R1.536 C=CC(O)CNCCC1OCCO1 2230a_100000034215_100000730141 [0,1,0,1,0,0|2,0,0]=4 18862 B13R1.536 C=CC(O)CNCCC1OCCO1 34a_100000034215_100000730141 [0,1,0,1,0,0|2,0,0]=4 18863 B13R1.536 C=CC(O)COCCC1CCCC1 34a_100000749090_100000730141 [0,1,0,1,0,0|2,0,0]=4 18864 B13R1.536 C=CC(O)COCCC1CCCC1 7a_100000749090_100000730141 [0,1,0,1,0,0|2,0,0]=4 18865 B13R1.536 C=CC(O)CSCCC1CCCC1 62a_100000730141_100000760354 [0,1,0,1,0,0|2,0,0]=4 18866 B13R1.536 C=CC(O)CSCCC1CCCC1 62a_100000760354_100000730141 [0,1,0,1,0,0|2,0,0]=4 18867 B13R1.536 C=CC(O)CSCCC1OCCO1 62a_100000730141_100000740749 [0,1,0,1,0,0|2,0,0]=4 18868 B13R1.536 C=C[C@H](N)COCCC1CCCC1 34a_100016989147_100000760354 [0,1,0,1,0,0|2,0,0]=4 18869 B13R1.536 C=C[C@H](N)COCCC1OCCO1 34a_100016989147_100000740749 [0,1,0,1,0,0|2,0,0]=4 18870 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_100000059175_200016118888 [0,1,0,1,0,0|2,0,0]=4 18871 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_200016118888_100000059175 [0,1,0,1,0,0|2,0,0]=4 18872 B13R1.595 O=C1CCC1CCNC[C@H](O)CO 2230a_100020644852_200016118888 [0,1,0,1,0,0|2,0,0]=4 18873 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_100011219619_200016118888 [0,1,0,1,0,0|2,0,0]=4 18874 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_200016118888_100011219619 [0,1,0,1,0,0|2,0,0]=4 18875 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_100009815848_200016118888 [0,1,0,1,0,0|2,0,0]=4 18876 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_200016118888_100009815848 [0,1,0,1,0,0|2,0,0]=4 18877 B13R1.599 CC(CO)CCNC1CCCC1=O 2230a_106354213184_100000211823 [0,1,0,1,0,0|2,0,0]=4 18878 B13R1.599 CC(CO)CCNC1CCCC1=O 34a_106354213184_100000709159 [0,1,0,1,0,0|2,0,0]=4 18879 B13R1.672 C=CCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100011713584 [0,1,0,1,0,0|1,0,0]=3 18880 B13R1.672 C=CCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000757094 [0,1,0,1,0,0|1,0,0]=3 18881 B13R1.672 C=CCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000757094 [0,1,0,1,0,0|1,0,0]=3 18882 B13R1.672 C=COCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000039644 [0,1,0,1,0,0|2,0,0]=4 18883 B13R1.672 C=COCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000039644 [0,1,0,1,0,0|2,0,0]=4 18884 B13R1.672 C=COCCN1CCC[C@@]1(C)CO 34a_100016195882_100000039644 [0,1,0,1,0,0|2,0,0]=4 18885 B13R1.672 C[C@]1(CCCN1CCCC=O)CO 2230a_100016195882_200011292268 [0,1,0,1,0,0|2,0,0]=4 18886 B13R1.672 C[C@]1(CCCN1CCCC=O)CO 269982a_100016195882_200011292268 [0,1,0,1,0,0|2,0,0]=4 18887 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|1,0,1]=4 18888 B13R1.718 C=CC(=O)CCOC1CCCCO1 1458a_100000185746_100000744793 [0,1,0,1,0,0|1,0,1]=4 18889 B13R1.718 C=CC(=O)NCCC1CCCCO1 1626a_100015183643_100000185746 [0,1,0,1,0,0|1,0,1]=4 18890 B13R1.718 C=CC(=O)NCCC1CCCCO1 240690a_100015183643_200121576911 [0,1,0,1,0,0|1,0,1]=4 18891 B13R1.718 C=CC(C)COCC1CCCCC1 34a_100011215527_100000211423 [0,1,0,1,0,0|2,0,0]=4 18892 B13R1.718 C=CC(C)COCC1CCCCC1 7a_100011215527_100000211423 [0,1,0,1,0,0|2,0,0]=4 18893 B13R1.718 C=CC(C)COCC1CCCCO1 34a_100011215527_100000211543 [0,1,0,1,0,0|1,0,0]=3 18894 B13R1.718 C=CC(C)COCC1CCCCO1 7a_100011215527_100000211543 [0,1,0,1,0,0|1,0,0]=3 18895 B13R1.718 C=CC(C)OCCC1CCCCC1 34a_100000695699_100011209188 [0,1,0,1,0,0|2,0,0]=4 18896 B13R1.718 C=CC(C)OCCC1OCCCO1 34a_100000695699_100000764188 [0,1,0,1,0,0|2,0,0]=4 18897 B13R1.718 C=CC(C)SCCC1CCCCC1 62a_100011215867_100012355289 [0,1,0,1,0,0|2,0,0]=4 18898 B13R1.718 C=CC(C)SCCC1OCCCO1 62a_100011215867_100000764188 [0,1,0,1,0,0|2,0,0]=4 18899 B13R1.718 C=CC(O)CNCC1CCCCC1 2230a_100000210473_100000730141 [0,1,0,1,0,0|2,0,0]=4 18900 B13R1.718 C=CC(O)CNCC1CCCCC1 34a_100000210473_100000730141 [0,1,0,1,0,0|2,0,0]=4 18901 B13R1.718 C=CC(O)CNCC1CCCCO1 2230a_100000174945_100000730141 [0,1,0,1,0,0|1,0,0]=3 18902 B13R1.718 C=CC(O)CNCC1CCCCO1 34a_100000174945_100000730141 [0,1,0,1,0,0|1,0,0]=3 18903 B13R1.718 C=CC(O)CNC[C@H]1COCCO1 2230a_100010981119_100000730141 [0,1,0,1,0,0|2,0,0]=4 18904 B13R1.718 C=CC(O)CNC[C@H]1COCCO1 34a_100010981119_100000730141 [0,1,0,1,0,0|2,0,0]=4 18905 B13R1.718 C=CC(O)COCC1CCCCC1 34a_100000212181_100000730141 [0,1,0,1,0,0|2,0,0]=4 18906 B13R1.718 C=CC(O)COCC1CCCCC1 7a_100000212181_100000730141 [0,1,0,1,0,0|2,0,0]=4 18907 B13R1.718 C=CC(O)COCC1CCCCN1 34a_100000210821_100000730141 [0,1,0,1,0,0|2,0,0]=4 18908 B13R1.718 C=CC(O)COCC1CCCCO1 34a_100000211370_100000730141 [0,1,0,1,0,0|1,0,0]=3 18909 B13R1.718 C=CC(O)COCC1CCCCO1 7a_100000211370_100000730141 [0,1,0,1,0,0|1,0,0]=3 18910 B13R1.718 C=CC(O)COC[C@@H]1CNCCO1 34a_100015189573_100000730141 [0,1,0,1,0,0|2,0,0]=4 18911 B13R1.718 C=CC(O)COC[C@H]1COCCO1 34a_100009875890_100000730141 [0,1,0,1,0,0|2,0,0]=4 18912 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000211423_100000730141 [0,1,0,1,0,0|2,0,0]=4 18913 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000730141_100000211423 [0,1,0,1,0,0|2,0,0]=4 18914 B13R1.718 C=CC(O)CSCC1CCCCO1 62a_100000211543_100000730141 [0,1,0,1,0,0|1,0,0]=3 18915 B13R1.718 C=CC(O)CSCC1CCCCO1 62a_100000730141_100000211543 [0,1,0,1,0,0|1,0,0]=3 18916 B13R1.718 C=C[C@H](N)COCC1CCCCC1 34a_100016989147_100000211423 [0,1,0,1,0,0|2,0,0]=4 18917 B13R1.718 C=C[C@H](N)COCC1CCCCO1 34a_100016989147_100000211543 [0,1,0,1,0,0|1,0,0]=3 18918 B13R1.718 CC(CO)CCNC1C=CCCC1 2230a_106354213184_100000751183 [0,1,0,1,0,0|1,0,0]=3 18919 B13R1.718 CCC(C)CCNC1C=CCCC1 2230a_100020591266_100000751183 [0,1,0,1,0,0|2,0,0]=4 18920 B13R1.718 CCC(C)CCOC1C=CCCC1 7a_100011215188_100000751183 [0,1,0,1,0,0|2,0,0]=4 18921 B13R1.1689 C=CC(C)N1CCCCCCCC1 269982a_100000039187_100011215867 [0,1,0,1,0,0|2,0,0]=4 18922 B13R1.1711 C=CC(C)COC1CCCCCC1 34a_100011215527_100011217769 [0,1,0,1,0,0|2,0,0]=4 18923 B13R1.1711 C=CC(C)OCC1CCCCCC1 34a_100000695699_200000696569 [0,1,0,1,0,0|2,0,0]=4 18924 B13R1.1711 C=CC(C)SCC1CCCCCC1 62a_100011215867_200000696569 [0,1,0,1,0,0|2,0,0]=4 18925 B13R1.1711 C=CC(O)CNC1CCCCCC1 2230a_100000210984_100000730141 [0,1,0,1,0,0|2,0,0]=4 18926 B13R1.1711 C=CC(O)CNC1CCCCCC1 34a_100000210984_100000730141 [0,1,0,1,0,0|2,0,0]=4 18927 B13R1.1711 C=CC(O)COC1CCCCCC1 34a_100000210887_100000730141 [0,1,0,1,0,0|2,0,0]=4 18928 B13R1.1711 C=CC(O)COC1CCCCCC1 7a_100000210887_100000730141 [0,1,0,1,0,0|2,0,0]=4 18929 B13R1.1711 C=CC(O)CSC1CCCCCC1 62a_100000730141_100011217769 [0,1,0,1,0,0|2,0,0]=4 18930 B13R1.1711 C=CC(O)CSC1CCCCCC1 62a_100011217769_100000730141 [0,1,0,1,0,0|2,0,0]=4 18931 B13R1.1711 C=C[C@H](N)COC1CCCCCC1 34a_100016989147_100011217769 [0,1,0,1,0,0|2,0,0]=4 18932 B13R1.1870 C=CC(O)CN1CCCCCCC1 2230a_100000211400_100000730141 [0,1,0,1,0,0|2,0,0]=4 18933 B13R1.1870 C=CC(O)CN1CCCCCCC1 34a_100000211400_100000730141 [0,1,0,1,0,0|2,0,0]=4 18934 B13R1.1870 CC(CO)OC1C=CCCCCC1 34a_100000688657_100012180447 [0,1,0,1,0,0|1,0,0]=3 18935 B13R1.1870 CCC(C)OC1C=CCCCCC1 34a_100000688657_100011215416 [0,1,0,1,0,0|2,0,0]=4 18936 B13R1.2437 C=CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000700193 [0,1,0,1,0,0|2,0,0]=4 18937 B13R1.2437 C=CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000700193 [0,1,0,1,0,0|2,0,0]=4 18938 B13R1.2938 C=CCCCCCCNC1(CC1)C 2230a_100000757604_100011215473 [0,1,0,1,0,0|2,0,0]=4 18939 B13R1.2938 C=CCCCCCCOC1(CC1)C 7a_100011725673_100011215473 [0,1,0,1,0,0|2,0,0]=4 18940 B13R1.2938 C=CCCCCCNCC1(CC1)C 2230a_100000766693_100000700193 [0,1,0,1,0,0|2,0,0]=4 18941 B13R1.2938 C=CCCCCCNCC1(CC1)O 2230a_100011936951_100000700193 [0,1,0,1,0,0|2,0,0]=4 18942 B13R1.2938 C=CCCCCCOCC1(CC1)C 7a_100000698024_100000700193 [0,1,0,1,0,0|2,0,0]=4 18943 B13R1.2938 C=CCCCCCOCC1(CC1)F 34a_200000703853_100000700193 [0,1,0,1,0,0|2,0,0]=4 18944 B13R1.2938 C=CCCCCCOCC1(CC1)F 7a_200000703853_100000700193 [0,1,0,1,0,0|2,0,0]=4 18945 B13R1.2938 C=CCCCCCOCC1(CO1)C 34a_100011216702_100000760498 [0,1,0,1,0,0|1,0,0]=3 18946 B13R1.2938 C=CCCCCCSCC1(CO1)C 62a_100000700193_100000760498 [0,1,0,1,0,0|1,0,0]=3 18947 B13R1.2938 C=CCCCCCSCC1(CO1)C 62a_100000760498_100000700193 [0,1,0,1,0,0|1,0,0]=3 18948 B13R1.2938 C=COCCCCOCC1(CO1)C 34a_100000031558_100000760498 [0,1,0,1,0,0|2,0,0]=4 18949 B13R1.2938 CC1(CO1)CSCCCCCC=O 62a_100000139337_100000760498 [0,1,0,1,0,0|2,0,0]=4 18950 B13R1.2938 CC1(CO1)CSCCCCCC=O 62a_100000760498_100000139337 [0,1,0,1,0,0|2,0,0]=4 18951 B13R2.15 C[C@@H]1CCCN1C2C=CCCC2 2230a_100015189458_100000751183 [0,0,0,2,0,0|2,0,0]=4 18952 B13R2.15 C[C@@H]1CCCN1C2C=CCCC2 269982a_100015189458_100000751183 [0,0,0,2,0,0|2,0,0]=4 18953 B13R2.15 C[C@H]1CCCN1C2C=CCCC2 2230a_100020605311_100000751183 [0,0,0,2,0,0|2,0,0]=4 18954 B13R2.15 C[C@H]1CCCN1C2C=CCCC2 269982a_100020605311_100000751183 [0,0,0,2,0,0|2,0,0]=4 18955 B13R2.17 CC1CC1COC2C=CCCC2 7a_100000744939_100000751183 [0,0,0,2,0,0|2,0,0]=4 18956 B13R2.27 O=C1CCC1OC2CCCCO2 34a_100000033831_100009892977 [0,0,0,2,0,0|2,0,0]=4 18957 B13R2.64 C1=CC(CCC1)NC2CCCC2 2230a_100000211070_100000751183 [0,0,0,2,0,0|2,0,0]=4 18958 B13R2.64 C1=CC(CCC1)OC2CCCC2 34a_100011215024_100000179811 [0,0,0,2,0,0|2,0,0]=4 18959 B13R2.64 C1=CC(CCC1)OC2CCCC2 7a_100000210269_100000751183 [0,0,0,2,0,0|2,0,0]=4 18960 B13R2.64 C1=CC(CCC1)SC2CCCC2 62a_100000751183_100000179811 [0,0,0,2,0,0|2,0,0]=4 18961 B13R2.64 C1=CC(CCC1)SC2CCCC2 62a_100011217020_100000751183 [0,0,0,2,0,0|2,0,0]=4 18962 B13R2.510 C=CCCN1CC2CCC1CC2 2230a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 18963 B13R2.510 C=CCCN1CC2CCC1CC2 269982a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 18964 B13R2.510 C=CCCN1CC2CCC1CC2 34a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 18965 B13R2.510 CCNCC1CC2C=CC1CC2 269862a_100015525214_100010619355 [0,0,0,2,0,0|2,0,0]=4 18966 B13R2.745 C=CCCCCN1CC2CC2C1 2230a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 18967 B13R2.745 C=CCCCCN1CC2CC2C1 269982a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 18968 B13R2.745 C=CCCCCN1CC2CC2C1 34a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 18969 B13R2.745 C=CCCCNC1CC2CC2C1 270004a_100000700776_100010340937 [0,0,0,2,0,0|2,0,0]=4 18970 B13R2.2382 C1=CC(CCC1)OCCC2CC2 34a_100011215024_100000694398 [0,0,0,2,0,0|2,0,0]=4 18971 B13R2.2382 C1=CC(CCC1)OCCC2CC2 7a_100000754188_100000751183 [0,0,0,2,0,0|2,0,0]=4 18972 B13R2.2382 C1=CC(CCC1)OCCC2CO2 34a_100011215024_100000732470 [0,0,0,2,0,0|1,0,0]=3 18973 B13R2.2382 C1=CC(CCC1)SCCC2CC2 62a_100000751183_100000764125 [0,0,0,2,0,0|2,0,0]=4 18974 B13R2.2382 C1=CC(CCC1)SCCC2CC2 62a_100000764125_100000751183 [0,0,0,2,0,0|2,0,0]=4 18975 B13R2.2382 C1=CC(CCC1)SCCC2CO2 62a_100000732470_100000751183 [0,0,0,2,0,0|1,0,0]=3 18976 B13R2.2382 C1=CC(CCC1)SCCC2CO2 62a_100000751183_100000732470 [0,0,0,2,0,0|1,0,0]=3 18977 B13R2.2383 C1=CC(CCC1)NCC2CCC2 2230a_100000738700_100000751183 [0,0,0,2,0,0|2,0,0]=4 18978 B13R2.2383 C1=CC(CCC1)NC[C@@H]2CCO2 2230a_100020831831_100000751183 [0,0,0,2,0,0|1,0,0]=3 18979 B13R2.2383 C1=CC(CCC1)OCC2CCC2 34a_100011215024_100000763275 [0,0,0,2,0,0|2,0,0]=4 18980 B13R2.2383 C1=CC(CCC1)OCC2CCO2 34a_100011215024_100000103362 [0,0,0,2,0,0|1,0,0]=3 18981 B13R2.2383 C1=CC(CCC1)SCC2CCC2 62a_100000751183_100000763275 [0,0,0,2,0,0|2,0,0]=4 18982 B13R2.2383 C1=CC(CCC1)SCC2CCC2 62a_100000763275_100000751183 [0,0,0,2,0,0|2,0,0]=4 18983 B13R2.2383 C1=CC(CCC1)SCC2CCO2 62a_100000103362_100000751183 [0,0,0,2,0,0|1,0,0]=3 18984 B13R2.2383 C1=CC(CCC1)SCC2CCO2 62a_100000751183_100000103362 [0,0,0,2,0,0|1,0,0]=3 18985 B13R2.2388 C=CCCCN1C2CCC1CC2 2230a_100000735658_100011713584 [0,0,0,2,0,0|2,0,0]=4 18986 B13R2.2388 C=CCCCN1C2CCC1CC2 269982a_100000735658_100000757094 [0,0,0,2,0,0|2,0,0]=4 18987 B13R2.2388 C=CCCCN1C2CCC1CC2 34a_100000735658_100000757094 [0,0,0,2,0,0|2,0,0]=4 18988 B13R2.2388 C=CCCOC1C2CCC1CC2 34a_100011205117_100009813300 [0,0,0,2,0,0|2,0,0]=4 18989 B13R2.2388 C=CCCSC1C2CCC1CC2 62a_100000754431_100009813300 [0,0,0,2,0,0|2,0,0]=4 18990 B13R2.2388 C=CCCSC1C2CCC1CC2 62a_100009813300_100000754431 [0,0,0,2,0,0|2,0,0]=4 18991 B13R2.3194 C=CCCCNC1CCC2C1C2 269862a_100000700776_100000692480 [0,0,0,2,0,0|2,0,0]=4 18992 B13R2.3194 C=CCCCNC1CCC2C1C2 270004a_100000700776_100000692480 [0,0,0,2,0,0|2,0,0]=4 18993 B13R2.3194 C=CCCCOC1CCC2C1C2 34a_200012295571_100000757094 [0,0,0,2,0,0|2,0,0]=4 18994 B13R2.29 O=C1CCCC1OC2CCCO2 34a_100000085407_100000709159 [0,0,0,2,0,0|2,0,0]=4 18995 B13R2.158 O=C1CCC1NC[C@@H]2CCCO2 34a_100020590478_100009892977 [0,0,0,2,0,0|2,0,0]=4 18996 B13R2.158 O=C1CCC1OCC2CCCO2 34a_100000210270_100009892977 [0,0,0,2,0,0|2,0,0]=4 18997 B13R2.158 O=C1CCC1OCC2CCCO2 7a_100000210270_100009892977 [0,0,0,2,0,0|2,0,0]=4 18998 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100000203698_100009892977 [0,0,0,2,0,0|2,0,0]=4 18999 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100009892977_100000203698 [0,0,0,2,0,0|2,0,0]=4 19000 B13R2.468 C=CCO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_100015514636 [0,0,0,2,0,0|2,0,0]=4 19001 B13R2.468 C=CCO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_100015514636 [0,0,0,2,0,0|2,0,0]=4 19002 B13R2.2520 BrCCOCC1CC2C=CC1C2 34a_100000211926_200009814271 [0,0,0,2,0,0|2,0,0]=4 19003 B13R2.2520 C=CCCCN1CC2CCC1C2 2230a_100000743476_100011713584 [0,0,0,2,0,0|2,0,0]=4 19004 B13R2.2520 C=CCCCN1CC2CCC1C2 269982a_100000743476_100000757094 [0,0,0,2,0,0|2,0,0]=4 19005 B13R2.2520 C=CCCCN1CC2CCC1C2 34a_100000743476_100000757094 [0,0,0,2,0,0|2,0,0]=4 19006 B13R2.2520 C=CCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011713584 [0,0,0,2,0,0|1,0,0]=3 19007 B13R2.2520 C=CCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000757094 [0,0,0,2,0,0|1,0,0]=3 19008 B13R2.2520 C=CCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000757094 [0,0,0,2,0,0|1,0,0]=3 19009 B13R2.2520 C=CCCNC1CC2CCC1C2 2230a_100000758229_100000754431 [0,0,0,2,0,0|2,0,0]=4 19010 B13R2.2520 C=CCCNC1CC2CCC1C2 269862a_100015191253_100000223372 [0,0,0,2,0,0|2,0,0]=4 19011 B13R2.2520 C=CCCNC1CC2CCC1C2 270004a_100015191253_100000223372 [0,0,0,2,0,0|2,0,0]=4 19012 B13R2.2520 C=CCCNC1CC2CCC1C2 34a_100000758229_100000754431 [0,0,0,2,0,0|2,0,0]=4 19013 B13R2.2520 C=CCCOC1CC2CCC1C2 34a_100000211339_100000754431 [0,0,0,2,0,0|2,0,0]=4 19014 B13R2.2520 C=CCCOC1CC2CCC1C2 34a_100011205117_100000727232 [0,0,0,2,0,0|2,0,0]=4 19015 B13R2.2520 C=CCCSC1CC2CCC1C2 62a_100000727232_100000754431 [0,0,0,2,0,0|2,0,0]=4 19016 B13R2.2520 C=CCCSC1CC2CCC1C2 62a_100000754431_100000727232 [0,0,0,2,0,0|2,0,0]=4 19017 B13R2.2520 C=CCNCC1CC2CCC1C2 270004a_100020586998_100000697602 [0,0,0,2,0,0|2,0,0]=4 19018 B13R2.2520 C=CCOCC1CC2CCC1C2 34a_100000229996_100015514636 [0,0,0,2,0,0|2,0,0]=4 19019 B13R2.2520 C=COCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000039644 [0,0,0,2,0,0|2,0,0]=4 19020 B13R2.2520 C=COCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000039644 [0,0,0,2,0,0|2,0,0]=4 19021 B13R2.2520 C=COCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000039644 [0,0,0,2,0,0|2,0,0]=4 19022 B13R2.2520 CCCCCN1CC2C=CC1C2 2230a_100000732668_100000210326 [0,0,0,2,0,0|2,0,0]=4 19023 B13R2.2520 CCCCCN1CC2C=CC1C2 269982a_100000732668_100000210215 [0,0,0,2,0,0|2,0,0]=4 19024 B13R2.2520 CCCCCN1CC2C=CC1C2 34a_100000732668_100000718602 [0,0,0,2,0,0|2,0,0]=4 19025 B13R2.2520 CCCCOC1CC2C=CC1C2 34a_100000043678_100000210210 [0,0,0,2,0,0|2,0,0]=4 19026 B13R2.2520 CCCNCC1CC2C=CC1C2 2230a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 19027 B13R2.2520 CCCNCC1CC2C=CC1C2 34a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 19028 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100000210258_200009814271 [0,0,0,2,0,0|2,0,0]=4 19029 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100011215361_100000210303 [0,0,0,2,0,0|2,0,0]=4 19030 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000139495_100000210303 [0,0,0,2,0,0|2,0,0]=4 19031 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000210303_100000139495 [0,0,0,2,0,0|2,0,0]=4 19032 B13R2.2520 FCCCCN1CC2C=CC1C2 2230a_100000732668_100000729493 [0,0,0,2,0,0|2,0,0]=4 19033 B13R2.2520 FCCCCN1CC2C=CC1C2 269982a_100000732668_100000729493 [0,0,0,2,0,0|2,0,0]=4 19034 B13R2.2520 FCCCCN1CC2C=CC1C2 34a_100000732668_100000729493 [0,0,0,2,0,0|2,0,0]=4 19035 B13R2.2520 FCCCOC1CC2C=CC1C2 34a_100000043678_100011934791 [0,0,0,2,0,0|2,0,0]=4 19036 B13R2.2520 FCCNCC1CC2C=CC1C2 2230a_100000189500_100011217306 [0,0,0,2,0,0|2,0,0]=4 19037 B13R2.2520 FCCNCC1CC2C=CC1C2 34a_100000189500_100011217306 [0,0,0,2,0,0|2,0,0]=4 19038 B13R2.2520 FCCNCC1CC2C=CC1C2 34a_100000724931_200009814271 [0,0,0,2,0,0|2,0,0]=4 19039 B13R2.2520 FCCOCC1CC2C=CC1C2 34a_100011215361_100011217306 [0,0,0,2,0,0|2,0,0]=4 19040 B13R2.2520 FCCSCC1CC2C=CC1C2 62a_100000139495_100011217306 [0,0,0,2,0,0|2,0,0]=4 19041 B13R2.2520 FCCSCC1CC2C=CC1C2 62a_100011217306_100000139495 [0,0,0,2,0,0|2,0,0]=4 19042 B13R2.2520 NCCOCC1CC2C=CC1C2 34a_100000210304_200009814271 [0,0,0,2,0,0|2,0,0]=4 19043 B13R2.2520 O=CCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200011292268 [0,0,0,2,0,0|2,0,0]=4 19044 B13R2.2520 O=CCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200011292268 [0,0,0,2,0,0|2,0,0]=4 19045 B13R2.2520 OCCCCN1CC2C=CC1C2 2230a_100000732668_100000210776 [0,0,0,2,0,0|1,0,0]=3 19046 B13R2.2520 OCCCCN1CC2C=CC1C2 269982a_100000732668_100000210776 [0,0,0,2,0,0|1,0,0]=3 19047 B13R2.2520 OCCCCN1CC2C=CC1C2 34a_100000732668_100011216708 [0,0,0,2,0,0|1,0,0]=3 19048 B13R2.2520 OCCCOC1CC2C=CC1C2 34a_100000043678_100000230001 [0,0,0,2,0,0|1,0,0]=3 19049 B13R2.2520 OCCNCC1CC2C=CC1C2 2230a_100000189500_100000211926 [0,0,0,2,0,0|1,0,0]=3 19050 B13R2.2520 OCCNCC1CC2C=CC1C2 2230a_100016997473_200009814271 [0,0,0,2,0,0|1,0,0]=3 19051 B13R2.2520 OCCNCC1CC2C=CC1C2 34a_100000189500_100000211926 [0,0,0,2,0,0|1,0,0]=3 19052 B13R2.2520 OCCNCC1CC2C=CC1C2 34a_100016990907_200009814271 [0,0,0,2,0,0|1,0,0]=3 19053 B13R2.2520 OCCOCC1CC2C=CC1C2 34a_100011215361_100000211926 [0,0,0,2,0,0|1,0,0]=3 19054 B13R2.2520 OCCSCC1CC2C=CC1C2 62a_100000139495_100000211926 [0,0,0,2,0,0|1,0,0]=3 19055 B13R2.2520 OCCSCC1CC2C=CC1C2 62a_100000211926_100000139495 [0,0,0,2,0,0|1,0,0]=3 19056 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 269982a_100000745186_100009892977 [0,0,0,2,0,0|2,0,0]=4 19057 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 34a_100000745186_100009892977 [0,0,0,2,0,0|2,0,0]=4 19058 B13R2.673 C=CCCCN1CCCC12CC2 2230a_100020620911_100011713584 [0,0,0,2,0,0|2,0,0]=4 19059 B13R2.673 C=CCCCN1CCCC12CC2 269982a_100020620911_100000757094 [0,0,0,2,0,0|2,0,0]=4 19060 B13R2.673 C=CCCCN1CCCC12CC2 34a_100020620911_100000757094 [0,0,0,2,0,0|2,0,0]=4 19061 B13R2.673 C=CCCNC1CCCC12CC2 269862a_100015191253_100009881796 [0,0,0,2,0,0|2,0,0]=4 19062 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210623 [0,0,0,2,0,0|2,0,0]=4 19063 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000210623 [0,0,0,2,0,0|2,0,0]=4 19064 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100015514636 [0,0,0,2,0,0|2,0,0]=4 19065 B13R2.3587 O=C1CCCCC1OCC2CO2 34a_100011214950_102125554688 [0,0,0,2,0,0|2,0,0]=4 19066 B13R2.3587 O=C1CCCCC1OC[C@@H]2CO2 34a_100000757423_100000754470 [0,0,0,2,0,0|2,0,0]=4 19067 B13R2.3587 O=C1CCCCC1SCC2CO2 62a_100000204591_102125554688 [0,0,0,2,0,0|2,0,0]=4 19068 B13R2.3587 O=C1CCCCC1SCC2CO2 62a_102125554688_100000204591 [0,0,0,2,0,0|2,0,0]=4 19069 B13R2.3587 O=C1CCCCC1SC[C@@H]2CO2 62a_100000204591_100000745022 [0,0,0,2,0,0|2,0,0]=4 19070 B13R2.3587 O=C1CCCCC1SC[C@@H]2CO2 62a_100000745022_100000204591 [0,0,0,2,0,0|2,0,0]=4 19071 B13R2.14282 C=CCCNC1CCCC2C1C2 269862a_100015191253_100000697651 [0,0,0,2,0,0|2,0,0]=4 19072 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 2230a_100020831831_100000211823 [0,0,0,2,0,0|2,0,0]=4 19073 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 34a_100020831831_100000709159 [0,0,0,2,0,0|2,0,0]=4 19074 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_100000039022_100000709159 [0,0,0,2,0,0|2,0,0]=4 19075 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_200000719330_100000103362 [0,0,0,2,0,0|2,0,0]=4 19076 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000103362_100000211823 [0,0,0,2,0,0|2,0,0]=4 19077 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000211823_100000103362 [0,0,0,2,0,0|2,0,0]=4 19078 B13R2.2441 C=CCCN1CCCC1C2CC2 2230a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 19079 B13R2.2441 C=CCCN1CCCC1C2CC2 269982a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 19080 B13R2.2441 C=CCCN1CCCC1C2CC2 34a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 19081 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 19082 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 19083 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 19084 B13R2.6839 C1=CC(CCCCC1)OC2CC2 34a_100000688657_100000211595 [0,0,0,2,0,0|2,0,0]=4 19085 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_100009892977_200016002552 [0,0,0,2,0,0|2,0,0]=4 19086 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100009892977 [0,0,0,2,0,0|2,0,0]=4 19087 B13R2.3140 O=C1CCCC1OCCC2CO2 34a_200000719330_100000732470 [0,0,0,2,0,0|2,0,0]=4 19088 B13R2.3140 O=C1CCCC1OCC[C@@H]2CO2 34a_100009820653_100000709159 [0,0,0,2,0,0|2,0,0]=4 19089 B13R2.3140 O=C1CCCC1SCCC2CO2 62a_100000211823_100000732470 [0,0,0,2,0,0|2,0,0]=4 19090 B13R2.3140 O=C1CCCC1SCCC2CO2 62a_100000732470_100000211823 [0,0,0,2,0,0|2,0,0]=4 19091 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_102125554688_200016118888 [0,0,0,2,0,0|2,0,0]=4 19092 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_200016118888_102125554688 [0,0,0,2,0,0|2,0,0]=4 19093 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_100000745022_200016118888 [0,0,0,2,0,0|2,0,0]=4 19094 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_200016118888_100000745022 [0,0,0,2,0,0|2,0,0]=4 19095 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100000733510_100009892977 [0,0,0,2,0,0|2,0,0]=4 19096 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100009892977_100000733510 [0,0,0,2,0,0|2,0,0]=4